assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 9.047 and attr rmsd > 8.947) 6 6 0 peak 10000 ppm1 4.835 ppm2 8.997 volume 0.1778 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 9.047 and attr rmsd > 8.947) 6 6 0 peak 20000 ppm1 4.835 ppm2 8.997 volume 0.1778 assi ((( attr rmsd < 4.756) and (attr rmsd > 4.656)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 9.047 and attr rmsd > 8.947) 6 6 0 peak 10001 ppm1 4.706 ppm2 8.997 volume 0.3539 assi ((( attr rmsd < 4.756) and (attr rmsd > 4.656)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 9.047 and attr rmsd > 8.947) 6 6 0 peak 20001 ppm1 4.706 ppm2 8.997 volume 0.3539 assi ((( attr rmsd < 2.528) and (attr rmsd > 2.428)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 8.394 and attr rmsd > 8.294) 6 6 0 peak 10002 ppm1 2.478 ppm2 8.344 volume 0.2793 assi ((( attr rmsd < 2.528) and (attr rmsd > 2.428)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 8.394 and attr rmsd > 8.294) 6 6 0 peak 20002 ppm1 2.478 ppm2 8.344 volume 0.2793 assi ((( attr rmsd < 1.818) and (attr rmsd > 1.718)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 8.282 and attr rmsd > 8.182) 6 6 0 peak 10003 ppm1 1.768 ppm2 8.232 volume 0.3403 assi ((( attr rmsd < 1.818) and (attr rmsd > 1.718)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 8.282 and attr rmsd > 8.182) 6 6 0 peak 20003 ppm1 1.768 ppm2 8.232 volume 0.3403 assi ((( attr rmsd < 1.790) and (attr rmsd > 1.690)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 8.985 and attr rmsd > 8.885) 6 6 0 peak 10004 ppm1 1.740 ppm2 8.935 volume 0.4335 assi ((( attr rmsd < 1.790) and (attr rmsd > 1.690)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 8.985 and attr rmsd > 8.885) 6 6 0 peak 20004 ppm1 1.740 ppm2 8.935 volume 0.4335 assi ((( attr rmsd < 1.796) and (attr rmsd > 1.696)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 6.892 and attr rmsd > 6.792) 6 6 0 peak 10005 ppm1 1.746 ppm2 6.842 volume 0.2415 assi ((( attr rmsd < 1.796) and (attr rmsd > 1.696)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 6.892 and attr rmsd > 6.792) 6 6 0 peak 20005 ppm1 1.746 ppm2 6.842 volume 0.2415 assi ((( attr rmsd < 5.464) and (attr rmsd > 5.364)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 9.111 and attr rmsd > 9.011) 6 6 0 peak 6 ppm1 5.414 ppm2 9.061 volume 0.6857 assi ((( attr rmsd < 5.470) and (attr rmsd > 5.370)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.149 and attr rmsd > 8.049) 6 6 0 peak 7 ppm1 5.420 ppm2 8.099 volume 0.1536 assi ((( attr rmsd < 5.075) and (attr rmsd > 4.975)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.864 and attr rmsd > 8.764) 6 6 0 peak 8 ppm1 5.025 ppm2 8.814 volume 0.8959 assi ((( attr rmsd < 5.042) and (attr rmsd > 4.942)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 9.038 and attr rmsd > 8.938) 6 6 0 peak 9 ppm1 4.992 ppm2 8.988 volume 0.1570 assi ((( attr rmsd < 4.992) and (attr rmsd > 4.892)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.974 and attr rmsd > 8.874) 6 6 0 peak 10 ppm1 4.942 ppm2 8.924 volume 0.1918 assi ((( attr rmsd < 4.967) and (attr rmsd > 4.867)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 9.012 and attr rmsd > 8.912) 6 6 0 peak 11 ppm1 4.917 ppm2 8.962 volume 0.1897 assi ((( attr rmsd < 4.957) and (attr rmsd > 4.857)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.191 and attr rmsd > 8.091) 6 6 0 peak 12 ppm1 4.907 ppm2 8.141 volume 0.1663 assi ((( attr rmsd < 4.945) and (attr rmsd > 4.845)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 7.920 and attr rmsd > 7.820) 6 6 0 peak 13 ppm1 4.895 ppm2 7.870 volume 0.1632 assi ((( attr rmsd < 4.923) and (attr rmsd > 4.823)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 9.026 and attr rmsd > 8.926) 6 6 0 peak 14 ppm1 4.873 ppm2 8.976 volume 0.1755 assi ((( attr rmsd < 4.916) and (attr rmsd > 4.816)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.171 and attr rmsd > 8.071) 6 6 0 peak 15 ppm1 4.866 ppm2 8.121 volume 0.1566 assi ((( attr rmsd < 4.920) and (attr rmsd > 4.820)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 7.925 and attr rmsd > 7.825) 6 6 0 peak 16 ppm1 4.870 ppm2 7.875 volume 0.1509 assi ((( attr rmsd < 4.725) and (attr rmsd > 4.625)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.870 and attr rmsd > 8.770) 6 6 0 peak 17 ppm1 4.675 ppm2 8.820 volume 0.5627 assi ((( attr rmsd < 4.725) and (attr rmsd > 4.625)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.705 and attr rmsd > 8.605) 6 6 0 peak 18 ppm1 4.675 ppm2 8.655 volume 0.3654 assi ((( attr rmsd < 4.693) and (attr rmsd > 4.593)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 9.049 and attr rmsd > 8.949) 6 6 0 peak 19 ppm1 4.643 ppm2 8.999 volume 0.9811 assi ((( attr rmsd < 4.696) and (attr rmsd > 4.596)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.342 and attr rmsd > 8.242) 6 6 0 peak 20 ppm1 4.646 ppm2 8.292 volume 0.2975 assi ((( attr rmsd < 4.524) and (attr rmsd > 4.424)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.238 and attr rmsd > 8.138) 6 6 0 peak 21 ppm1 4.474 ppm2 8.188 volume 0.6535 assi ((( attr rmsd < 4.417) and (attr rmsd > 4.317)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.297 and attr rmsd > 8.197) 6 6 0 peak 22 ppm1 4.367 ppm2 8.247 volume 0.2213 assi ((( attr rmsd < 4.325) and (attr rmsd > 4.225)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 7.913 and attr rmsd > 7.813) 6 6 0 peak 23 ppm1 4.275 ppm2 7.863 volume 0.9367 assi ((( attr rmsd < 4.280) and (attr rmsd > 4.180)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.145 and attr rmsd > 8.045) 6 6 0 peak 24 ppm1 4.230 ppm2 8.095 volume 0.3942 assi ((( attr rmsd < 4.197) and (attr rmsd > 4.097)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 7.941 and attr rmsd > 7.841) 6 6 0 peak 25 ppm1 4.147 ppm2 7.891 volume 0.5377 assi ((( attr rmsd < 4.196) and (attr rmsd > 4.096)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 7.313 and attr rmsd > 7.213) 6 6 0 peak 26 ppm1 4.146 ppm2 7.263 volume 0.1480 assi ((( attr rmsd < 3.881) and (attr rmsd > 3.781)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.986 and attr rmsd > 8.886) 6 6 0 peak 27 ppm1 3.831 ppm2 8.936 volume 0.1937 assi ((( attr rmsd < 5.671) and (attr rmsd > 5.571)) and bondedto(attr rmsd < 55.247 and attr rmsd > 54.247)) ( attr rmsd < 8.873 and attr rmsd > 8.773) 6 6 0 peak 28 ppm1 5.621 ppm2 8.823 volume 0.7347 assi ((( attr rmsd < 5.676) and (attr rmsd > 5.576)) and bondedto(attr rmsd < 55.309 and attr rmsd > 54.309)) ( attr rmsd < 8.492 and attr rmsd > 8.392) 6 6 0 peak 29 ppm1 5.626 ppm2 8.442 volume 0.2262 assi ((( attr rmsd < 5.671) and (attr rmsd > 5.571)) and bondedto(attr rmsd < 55.331 and attr rmsd > 54.331)) ( attr rmsd < 8.400 and attr rmsd > 8.300) 6 6 0 peak 30 ppm1 5.621 ppm2 8.350 volume 0.1889 assi ((( attr rmsd < 4.531) and (attr rmsd > 4.431)) and bondedto(attr rmsd < 55.310 and attr rmsd > 54.310)) ( attr rmsd < 8.952 and attr rmsd > 8.852) 6 6 0 peak 31 ppm1 4.481 ppm2 8.902 volume 0.7153 assi ((( attr rmsd < 4.482) and (attr rmsd > 4.382)) and bondedto(attr rmsd < 55.335 and attr rmsd > 54.335)) ( attr rmsd < 8.184 and attr rmsd > 8.084) 6 6 0 peak 32 ppm1 4.432 ppm2 8.134 volume 0.8649 assi ((( attr rmsd < 3.829) and (attr rmsd > 3.729)) and bondedto(attr rmsd < 55.264 and attr rmsd > 54.264)) ( attr rmsd < 6.894 and attr rmsd > 6.794) 6 6 0 peak 33 ppm1 3.779 ppm2 6.844 volume 0.2463 assi ((( attr rmsd < 1.889) and (attr rmsd > 1.789)) and bondedto(attr rmsd < 55.318 and attr rmsd > 54.318)) ( attr rmsd < 8.783 and attr rmsd > 8.683) 6 6 0 peak 34 ppm1 1.839 ppm2 8.733 volume 0.1514 assi ((( attr rmsd < 3.172) and (attr rmsd > 3.072)) and bondedto(attr rmsd < 78.852 and attr rmsd > 77.852)) ( attr rmsd < 7.090 and attr rmsd > 6.990) 6 6 0 peak 10035 ppm1 3.122 ppm2 7.040 volume 0.1672 assi ((( attr rmsd < 3.172) and (attr rmsd > 3.072)) and bondedto(attr rmsd < 31.332 and attr rmsd > 30.332)) ( attr rmsd < 7.090 and attr rmsd > 6.990) 6 6 0 peak 20035 ppm1 3.122 ppm2 7.040 volume 0.1672 assi ((( attr rmsd < 3.294) and (attr rmsd > 3.194)) and bondedto(attr rmsd < 78.654 and attr rmsd > 77.654)) ( attr rmsd < 8.047 and attr rmsd > 7.947) 6 6 0 peak 10036 ppm1 3.244 ppm2 7.997 volume 0.2372 assi ((( attr rmsd < 3.294) and (attr rmsd > 3.194)) and bondedto(attr rmsd < 31.134 and attr rmsd > 30.134)) ( attr rmsd < 8.047 and attr rmsd > 7.947) 6 6 0 peak 20036 ppm1 3.244 ppm2 7.997 volume 0.2372 assi ((( attr rmsd < 3.017) and (attr rmsd > 2.917)) and bondedto(attr rmsd < 78.675 and attr rmsd > 77.675)) ( attr rmsd < 8.045 and attr rmsd > 7.945) 6 6 0 peak 10037 ppm1 2.967 ppm2 7.995 volume 0.2951 assi ((( attr rmsd < 3.017) and (attr rmsd > 2.917)) and bondedto(attr rmsd < 31.155 and attr rmsd > 30.155)) ( attr rmsd < 8.045 and attr rmsd > 7.945) 6 6 0 peak 20037 ppm1 2.967 ppm2 7.995 volume 0.2951 assi ((( attr rmsd < 1.897) and (attr rmsd > 1.797)) and bondedto(attr rmsd < 78.638 and attr rmsd > 77.638)) ( attr rmsd < 7.848 and attr rmsd > 7.748) 6 6 0 peak 10038 ppm1 1.847 ppm2 7.798 volume 0.3103 assi ((( attr rmsd < 1.897) and (attr rmsd > 1.797)) and bondedto(attr rmsd < 31.118 and attr rmsd > 30.118)) ( attr rmsd < 7.848 and attr rmsd > 7.748) 6 6 0 peak 20038 ppm1 1.847 ppm2 7.798 volume 0.3103 assi ((( attr rmsd < 2.263) and (attr rmsd > 2.163)) and bondedto(attr rmsd < 78.419 and attr rmsd > 77.419)) ( attr rmsd < 8.977 and attr rmsd > 8.877) 6 6 0 peak 10039 ppm1 2.213 ppm2 8.927 volume 0.3494 assi ((( attr rmsd < 2.263) and (attr rmsd > 2.163)) and bondedto(attr rmsd < 30.899 and attr rmsd > 29.899)) ( attr rmsd < 8.977 and attr rmsd > 8.877) 6 6 0 peak 20039 ppm1 2.213 ppm2 8.927 volume 0.3494 assi ((( attr rmsd < 2.262) and (attr rmsd > 2.162)) and bondedto(attr rmsd < 78.424 and attr rmsd > 77.424)) ( attr rmsd < 8.471 and attr rmsd > 8.371) 6 6 0 peak 10040 ppm1 2.212 ppm2 8.421 volume 0.3455 assi ((( attr rmsd < 2.262) and (attr rmsd > 2.162)) and bondedto(attr rmsd < 30.904 and attr rmsd > 29.904)) ( attr rmsd < 8.471 and attr rmsd > 8.371) 6 6 0 peak 20040 ppm1 2.212 ppm2 8.421 volume 0.3455 assi ((( attr rmsd < 2.031) and (attr rmsd > 1.931)) and bondedto(attr rmsd < 78.462 and attr rmsd > 77.462)) ( attr rmsd < 8.978 and attr rmsd > 8.878) 6 6 0 peak 10041 ppm1 1.981 ppm2 8.928 volume 0.2475 assi ((( attr rmsd < 2.031) and (attr rmsd > 1.931)) and bondedto(attr rmsd < 30.942 and attr rmsd > 29.942)) ( attr rmsd < 8.978 and attr rmsd > 8.878) 6 6 0 peak 20041 ppm1 1.981 ppm2 8.928 volume 0.2475 assi ((( attr rmsd < 2.032) and (attr rmsd > 1.932)) and bondedto(attr rmsd < 78.447 and attr rmsd > 77.447)) ( attr rmsd < 8.471 and attr rmsd > 8.371) 6 6 0 peak 10042 ppm1 1.982 ppm2 8.421 volume 0.2730 assi ((( attr rmsd < 2.032) and (attr rmsd > 1.932)) and bondedto(attr rmsd < 30.927 and attr rmsd > 29.927)) ( attr rmsd < 8.471 and attr rmsd > 8.371) 6 6 0 peak 20042 ppm1 1.982 ppm2 8.421 volume 0.2730 assi ((( attr rmsd < 1.775) and (attr rmsd > 1.675)) ( attr rmsd < 6.687 and attr rmsd > 6.587) 6 6 0 peak 43 ppm1 1.725 ppm2 6.637 volume 0.1448 assi ((( attr rmsd < 1.775) and (attr rmsd > 1.675)) and bondedto(attr rmsd < 78.397 and attr rmsd > 77.397)) ( attr rmsd < 6.687 and attr rmsd > 6.587) 6 6 0 peak 10043 ppm1 1.725 ppm2 6.637 volume 0.1448 assi ((( attr rmsd < 1.775) and (attr rmsd > 1.675)) and bondedto(attr rmsd < 30.877 and attr rmsd > 29.877)) ( attr rmsd < 6.687 and attr rmsd > 6.587) 6 6 0 peak 20043 ppm1 1.725 ppm2 6.637 volume 0.1448 assi ((( attr rmsd < 1.671) and (attr rmsd > 1.571)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 44 ppm1 1.621 ppm2 6.642 volume 0.1681 assi ((( attr rmsd < 1.671) and (attr rmsd > 1.571)) and bondedto(attr rmsd < 78.313 and attr rmsd > 77.313)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 10044 ppm1 1.621 ppm2 6.642 volume 0.1681 assi ((( attr rmsd < 1.671) and (attr rmsd > 1.571)) and bondedto(attr rmsd < 30.793 and attr rmsd > 29.793)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 20044 ppm1 1.621 ppm2 6.642 volume 0.1681 assi ((( attr rmsd < 2.325) and (attr rmsd > 2.225)) and bondedto(attr rmsd < 78.144 and attr rmsd > 77.144)) ( attr rmsd < 9.303 and attr rmsd > 9.203) 6 6 0 peak 10045 ppm1 2.275 ppm2 9.253 volume 0.1592 assi ((( attr rmsd < 2.325) and (attr rmsd > 2.225)) and bondedto(attr rmsd < 30.624 and attr rmsd > 29.624)) ( attr rmsd < 9.303 and attr rmsd > 9.203) 6 6 0 peak 20045 ppm1 2.275 ppm2 9.253 volume 0.1592 assi ((( attr rmsd < 2.327) and (attr rmsd > 2.227)) and bondedto(attr rmsd < 78.044 and attr rmsd > 77.044)) ( attr rmsd < 8.333 and attr rmsd > 8.233) 6 6 0 peak 10046 ppm1 2.277 ppm2 8.283 volume 0.2694 assi ((( attr rmsd < 2.327) and (attr rmsd > 2.227)) and bondedto(attr rmsd < 30.524 and attr rmsd > 29.524)) ( attr rmsd < 8.333 and attr rmsd > 8.233) 6 6 0 peak 20046 ppm1 2.277 ppm2 8.283 volume 0.2694 assi ((( attr rmsd < 2.314) and (attr rmsd > 2.214)) and bondedto(attr rmsd < 78.105 and attr rmsd > 77.105)) ( attr rmsd < 8.957 and attr rmsd > 8.857) 6 6 0 peak 10047 ppm1 2.264 ppm2 8.907 volume 0.3318 assi ((( attr rmsd < 2.314) and (attr rmsd > 2.214)) and bondedto(attr rmsd < 30.585 and attr rmsd > 29.585)) ( attr rmsd < 8.957 and attr rmsd > 8.857) 6 6 0 peak 20047 ppm1 2.264 ppm2 8.907 volume 0.3318 assi ((( attr rmsd < 2.059) and (attr rmsd > 1.959)) and bondedto(attr rmsd < 78.081 and attr rmsd > 77.081)) ( attr rmsd < 8.304 and attr rmsd > 8.204) 6 6 0 peak 10048 ppm1 2.009 ppm2 8.254 volume 0.1856 assi ((( attr rmsd < 2.059) and (attr rmsd > 1.959)) and bondedto(attr rmsd < 30.561 and attr rmsd > 29.561)) ( attr rmsd < 8.304 and attr rmsd > 8.204) 6 6 0 peak 20048 ppm1 2.009 ppm2 8.254 volume 0.1856 assi ((( attr rmsd < 2.011) and (attr rmsd > 1.911)) and bondedto(attr rmsd < 78.110 and attr rmsd > 77.110)) ( attr rmsd < 8.302 and attr rmsd > 8.202) 6 6 0 peak 10049 ppm1 1.961 ppm2 8.252 volume 0.2010 assi ((( attr rmsd < 2.011) and (attr rmsd > 1.911)) and bondedto(attr rmsd < 30.590 and attr rmsd > 29.590)) ( attr rmsd < 8.302 and attr rmsd > 8.202) 6 6 0 peak 20049 ppm1 1.961 ppm2 8.252 volume 0.2010 assi ((( attr rmsd < 2.007) and (attr rmsd > 1.907)) and bondedto(attr rmsd < 78.112 and attr rmsd > 77.112)) ( attr rmsd < 7.535 and attr rmsd > 7.435) 6 6 0 peak 10050 ppm1 1.957 ppm2 7.485 volume 0.4425 assi ((( attr rmsd < 2.007) and (attr rmsd > 1.907)) and bondedto(attr rmsd < 30.592 and attr rmsd > 29.592)) ( attr rmsd < 7.535 and attr rmsd > 7.435) 6 6 0 peak 20050 ppm1 1.957 ppm2 7.485 volume 0.4425 assi ((( attr rmsd < 2.373) and (attr rmsd > 2.273)) and bondedto(attr rmsd < 77.907 and attr rmsd > 76.907)) ( attr rmsd < 8.223 and attr rmsd > 8.123) 6 6 0 peak 10051 ppm1 2.323 ppm2 8.173 volume 0.3384 assi ((( attr rmsd < 2.373) and (attr rmsd > 2.273)) and bondedto(attr rmsd < 30.387 and attr rmsd > 29.387)) ( attr rmsd < 8.223 and attr rmsd > 8.123) 6 6 0 peak 20051 ppm1 2.323 ppm2 8.173 volume 0.3384 assi ((( attr rmsd < 1.870) and (attr rmsd > 1.770)) and bondedto(attr rmsd < 77.891 and attr rmsd > 76.891)) ( attr rmsd < 8.462 and attr rmsd > 8.362) 6 6 0 peak 10052 ppm1 1.820 ppm2 8.412 volume 0.3907 assi ((( attr rmsd < 1.870) and (attr rmsd > 1.770)) and bondedto(attr rmsd < 30.371 and attr rmsd > 29.371)) ( attr rmsd < 8.462 and attr rmsd > 8.362) 6 6 0 peak 20052 ppm1 1.820 ppm2 8.412 volume 0.3907 assi ((( attr rmsd < 1.777) and (attr rmsd > 1.677)) and bondedto(attr rmsd < 77.928 and attr rmsd > 76.928)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 10053 ppm1 1.727 ppm2 8.413 volume 0.4208 assi ((( attr rmsd < 1.777) and (attr rmsd > 1.677)) and bondedto(attr rmsd < 30.408 and attr rmsd > 29.408)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 20053 ppm1 1.727 ppm2 8.413 volume 0.4208 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 77.775 and attr rmsd > 76.775)) ( attr rmsd < 8.458 and attr rmsd > 8.358) 6 6 0 peak 10054 ppm1 4.690 ppm2 8.408 volume 0.2179 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 30.255 and attr rmsd > 29.255)) ( attr rmsd < 8.458 and attr rmsd > 8.358) 6 6 0 peak 20054 ppm1 4.690 ppm2 8.408 volume 0.2179 assi ((( attr rmsd < 5.075) and (attr rmsd > 4.975)) and bondedto(attr rmsd < 54.038 and attr rmsd > 53.038)) ( attr rmsd < 8.039 and attr rmsd > 7.939) 6 6 0 peak 55 ppm1 5.025 ppm2 7.989 volume 0.2176 assi ((( attr rmsd < 5.000) and (attr rmsd > 4.900)) and bondedto(attr rmsd < 53.886 and attr rmsd > 52.886)) ( attr rmsd < 8.952 and attr rmsd > 8.852) 6 6 0 peak 56 ppm1 4.950 ppm2 8.902 volume 0.4371 assi ((( attr rmsd < 4.999) and (attr rmsd > 4.899)) and bondedto(attr rmsd < 53.967 and attr rmsd > 52.967)) ( attr rmsd < 8.472 and attr rmsd > 8.372) 6 6 0 peak 57 ppm1 4.949 ppm2 8.422 volume 0.1662 assi ((( attr rmsd < 4.637) and (attr rmsd > 4.537)) and bondedto(attr rmsd < 53.977 and attr rmsd > 52.977)) ( attr rmsd < 9.440 and attr rmsd > 9.340) 6 6 0 peak 58 ppm1 4.587 ppm2 9.390 volume 0.1855 assi ((( attr rmsd < 4.641) and (attr rmsd > 4.541)) and bondedto(attr rmsd < 53.948 and attr rmsd > 52.948)) ( attr rmsd < 8.461 and attr rmsd > 8.361) 6 6 0 peak 59 ppm1 4.591 ppm2 8.411 volume 1.0009 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 77.593 and attr rmsd > 76.593)) ( attr rmsd < 8.952 and attr rmsd > 8.852) 6 6 0 peak 10060 ppm1 4.855 ppm2 8.902 volume 0.1848 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 30.073 and attr rmsd > 29.073)) ( attr rmsd < 8.952 and attr rmsd > 8.852) 6 6 0 peak 20060 ppm1 4.855 ppm2 8.902 volume 0.1848 assi ((( attr rmsd < 2.215) and (attr rmsd > 2.115)) and bondedto(attr rmsd < 77.595 and attr rmsd > 76.595)) ( attr rmsd < 8.133 and attr rmsd > 8.033) 6 6 0 peak 10061 ppm1 2.165 ppm2 8.083 volume 0.4754 assi ((( attr rmsd < 2.215) and (attr rmsd > 2.115)) and bondedto(attr rmsd < 30.075 and attr rmsd > 29.075)) ( attr rmsd < 8.133 and attr rmsd > 8.033) 6 6 0 peak 20061 ppm1 2.165 ppm2 8.083 volume 0.4754 assi ((( attr rmsd < 2.161) and (attr rmsd > 2.061)) and bondedto(attr rmsd < 77.578 and attr rmsd > 76.578)) ( attr rmsd < 8.132 and attr rmsd > 8.032) 6 6 0 peak 10062 ppm1 2.111 ppm2 8.082 volume 0.5517 assi ((( attr rmsd < 2.161) and (attr rmsd > 2.061)) and bondedto(attr rmsd < 30.058 and attr rmsd > 29.058)) ( attr rmsd < 8.132 and attr rmsd > 8.032) 6 6 0 peak 20062 ppm1 2.111 ppm2 8.082 volume 0.5517 assi ((( attr rmsd < 1.785) and (attr rmsd > 1.685)) and bondedto(attr rmsd < 77.604 and attr rmsd > 76.604)) ( attr rmsd < 7.841 and attr rmsd > 7.741) 6 6 0 peak 10063 ppm1 1.735 ppm2 7.791 volume 0.1554 assi ((( attr rmsd < 1.785) and (attr rmsd > 1.685)) and bondedto(attr rmsd < 30.084 and attr rmsd > 29.084)) ( attr rmsd < 7.841 and attr rmsd > 7.741) 6 6 0 peak 20063 ppm1 1.735 ppm2 7.791 volume 0.1554 assi ((( attr rmsd < 4.119) and (attr rmsd > 4.019)) and bondedto(attr rmsd < 53.800 and attr rmsd > 52.800)) ( attr rmsd < 8.139 and attr rmsd > 8.039) 6 6 0 peak 64 ppm1 4.069 ppm2 8.089 volume 0.3867 assi ((( attr rmsd < 4.114) and (attr rmsd > 4.014)) and bondedto(attr rmsd < 53.797 and attr rmsd > 52.797)) ( attr rmsd < 7.851 and attr rmsd > 7.751) 6 6 0 peak 65 ppm1 4.064 ppm2 7.801 volume 0.2678 assi ((( attr rmsd < 5.127) and (attr rmsd > 5.027)) and bondedto(attr rmsd < 53.623 and attr rmsd > 52.623)) ( attr rmsd < 8.497 and attr rmsd > 8.397) 6 6 0 peak 66 ppm1 5.077 ppm2 8.447 volume 0.5163 assi ((( attr rmsd < 0.848) and (attr rmsd > 0.748)) and bondedto(attr rmsd < 77.192 and attr rmsd > 76.192)) ( attr rmsd < 8.859 and attr rmsd > 8.759) 6 6 0 peak 10067 ppm1 0.798 ppm2 8.809 volume 0.2009 assi ((( attr rmsd < 0.848) and (attr rmsd > 0.748)) and bondedto(attr rmsd < 29.672 and attr rmsd > 28.672)) ( attr rmsd < 8.859 and attr rmsd > 8.759) 6 6 0 peak 20067 ppm1 0.798 ppm2 8.809 volume 0.2009 assi ((( attr rmsd < 2.228) and (attr rmsd > 2.128)) and bondedto(attr rmsd < 76.537 and attr rmsd > 75.537)) ( attr rmsd < 9.487 and attr rmsd > 9.387) 6 6 0 peak 10068 ppm1 2.178 ppm2 9.437 volume 0.2056 assi ((( attr rmsd < 2.228) and (attr rmsd > 2.128)) and bondedto(attr rmsd < 29.017 and attr rmsd > 28.017)) ( attr rmsd < 9.487 and attr rmsd > 9.387) 6 6 0 peak 20068 ppm1 2.178 ppm2 9.437 volume 0.2056 assi ((( attr rmsd < 2.133) and (attr rmsd > 2.033)) and bondedto(attr rmsd < 76.583 and attr rmsd > 75.583)) ( attr rmsd < 9.489 and attr rmsd > 9.389) 6 6 0 peak 10069 ppm1 2.083 ppm2 9.439 volume 0.2247 assi ((( attr rmsd < 2.133) and (attr rmsd > 2.033)) and bondedto(attr rmsd < 29.063 and attr rmsd > 28.063)) ( attr rmsd < 9.489 and attr rmsd > 9.389) 6 6 0 peak 20069 ppm1 2.083 ppm2 9.439 volume 0.2247 assi ((( attr rmsd < 1.720) and (attr rmsd > 1.620)) and bondedto(attr rmsd < 76.342 and attr rmsd > 75.342)) ( attr rmsd < 9.045 and attr rmsd > 8.945) 6 6 0 peak 10070 ppm1 1.670 ppm2 8.995 volume 0.1671 assi ((( attr rmsd < 1.720) and (attr rmsd > 1.620)) and bondedto(attr rmsd < 28.822 and attr rmsd > 27.822)) ( attr rmsd < 9.045 and attr rmsd > 8.945) 6 6 0 peak 20070 ppm1 1.670 ppm2 8.995 volume 0.1671 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 52.440 and attr rmsd > 51.440)) ( attr rmsd < 9.445 and attr rmsd > 9.345) 6 6 0 peak 71 ppm1 4.856 ppm2 9.395 volume 0.1566 assi ((( attr rmsd < 4.467) and (attr rmsd > 4.367)) and bondedto(attr rmsd < 52.442 and attr rmsd > 51.442)) ( attr rmsd < 9.442 and attr rmsd > 9.342) 6 6 0 peak 72 ppm1 4.417 ppm2 9.392 volume 1.1499 assi ((( attr rmsd < 4.465) and (attr rmsd > 4.365)) and bondedto(attr rmsd < 52.435 and attr rmsd > 51.435)) ( attr rmsd < 8.089 and attr rmsd > 7.989) 6 6 0 peak 73 ppm1 4.415 ppm2 8.039 volume 0.2555 assi ((( attr rmsd < 1.394) and (attr rmsd > 1.294)) and bondedto(attr rmsd < 75.838 and attr rmsd > 74.838)) ( attr rmsd < 8.929 and attr rmsd > 8.829) 6 6 0 peak 10074 ppm1 1.344 ppm2 8.879 volume 0.3264 assi ((( attr rmsd < 1.394) and (attr rmsd > 1.294)) and bondedto(attr rmsd < 28.318 and attr rmsd > 27.318)) ( attr rmsd < 8.929 and attr rmsd > 8.829) 6 6 0 peak 20074 ppm1 1.344 ppm2 8.879 volume 0.3264 assi ((( attr rmsd < 1.394) and (attr rmsd > 1.294)) and bondedto(attr rmsd < 75.682 and attr rmsd > 74.682)) ( attr rmsd < 8.493 and attr rmsd > 8.393) 6 6 0 peak 10075 ppm1 1.344 ppm2 8.443 volume 0.1492 assi ((( attr rmsd < 1.394) and (attr rmsd > 1.294)) and bondedto(attr rmsd < 28.162 and attr rmsd > 27.162)) ( attr rmsd < 8.493 and attr rmsd > 8.393) 6 6 0 peak 20075 ppm1 1.344 ppm2 8.443 volume 0.1492 assi ((( attr rmsd < 0.782) and (attr rmsd > 0.682)) and bondedto(attr rmsd < 75.724 and attr rmsd > 74.724)) ( attr rmsd < 6.596 and attr rmsd > 6.496) 6 6 0 peak 10076 ppm1 0.732 ppm2 6.546 volume 0.1443 assi ((( attr rmsd < 0.782) and (attr rmsd > 0.682)) and bondedto(attr rmsd < 28.204 and attr rmsd > 27.204)) ( attr rmsd < 6.596 and attr rmsd > 6.496) 6 6 0 peak 20076 ppm1 0.732 ppm2 6.546 volume 0.1443 assi ((( attr rmsd < 4.752) and (attr rmsd > 4.652)) and bondedto(attr rmsd < 75.192 and attr rmsd > 74.192)) ( attr rmsd < 8.041 and attr rmsd > 7.941) 6 6 0 peak 10077 ppm1 4.702 ppm2 7.991 volume 0.2953 assi ((( attr rmsd < 4.752) and (attr rmsd > 4.652)) and bondedto(attr rmsd < 27.672 and attr rmsd > 26.672)) ( attr rmsd < 8.041 and attr rmsd > 7.941) 6 6 0 peak 20077 ppm1 4.702 ppm2 7.991 volume 0.2953 assi ((( attr rmsd < 1.808) and (attr rmsd > 1.708)) and bondedto(attr rmsd < 75.136 and attr rmsd > 74.136)) ( attr rmsd < 7.720 and attr rmsd > 7.620) 6 6 0 peak 10078 ppm1 1.758 ppm2 7.670 volume 0.2869 assi ((( attr rmsd < 1.808) and (attr rmsd > 1.708)) and bondedto(attr rmsd < 27.616 and attr rmsd > 26.616)) ( attr rmsd < 7.720 and attr rmsd > 7.620) 6 6 0 peak 20078 ppm1 1.758 ppm2 7.670 volume 0.2869 assi ((( attr rmsd < 1.775) and (attr rmsd > 1.675)) and bondedto(attr rmsd < 75.099 and attr rmsd > 74.099)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 10079 ppm1 1.725 ppm2 8.413 volume 0.2278 assi ((( attr rmsd < 1.775) and (attr rmsd > 1.675)) and bondedto(attr rmsd < 27.579 and attr rmsd > 26.579)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 20079 ppm1 1.725 ppm2 8.413 volume 0.2278 assi ((( attr rmsd < 1.781) and (attr rmsd > 1.681)) and bondedto(attr rmsd < 75.152 and attr rmsd > 74.152)) ( attr rmsd < 8.248 and attr rmsd > 8.148) 6 6 0 peak 10080 ppm1 1.731 ppm2 8.198 volume 0.4742 assi ((( attr rmsd < 1.781) and (attr rmsd > 1.681)) and bondedto(attr rmsd < 27.632 and attr rmsd > 26.632)) ( attr rmsd < 8.248 and attr rmsd > 8.148) 6 6 0 peak 20080 ppm1 1.731 ppm2 8.198 volume 0.4742 assi ((( attr rmsd < 1.629) and (attr rmsd > 1.529)) and bondedto(attr rmsd < 75.099 and attr rmsd > 74.099)) ( attr rmsd < 8.458 and attr rmsd > 8.358) 6 6 0 peak 10081 ppm1 1.579 ppm2 8.408 volume 0.1569 assi ((( attr rmsd < 1.629) and (attr rmsd > 1.529)) and bondedto(attr rmsd < 27.579 and attr rmsd > 26.579)) ( attr rmsd < 8.458 and attr rmsd > 8.358) 6 6 0 peak 20081 ppm1 1.579 ppm2 8.408 volume 0.1569 assi ((( attr rmsd < 4.684) and (attr rmsd > 4.584)) and bondedto(attr rmsd < 51.421 and attr rmsd > 50.421)) ( attr rmsd < 8.036 and attr rmsd > 7.936) 6 6 0 peak 82 ppm1 4.634 ppm2 7.986 volume 0.8107 assi ((( attr rmsd < 1.840) and (attr rmsd > 1.740)) and bondedto(attr rmsd < 74.650 and attr rmsd > 73.650)) ( attr rmsd < 8.152 and attr rmsd > 8.052) 6 6 0 peak 10083 ppm1 1.790 ppm2 8.102 volume 0.3533 assi ((( attr rmsd < 1.840) and (attr rmsd > 1.740)) and bondedto(attr rmsd < 27.130 and attr rmsd > 26.130)) ( attr rmsd < 8.152 and attr rmsd > 8.052) 6 6 0 peak 20083 ppm1 1.790 ppm2 8.102 volume 0.3533 assi ((( attr rmsd < 0.995) and (attr rmsd > 0.895)) and bondedto(attr rmsd < 74.801 and attr rmsd > 73.801)) ( attr rmsd < 8.871 and attr rmsd > 8.771) 6 6 0 peak 10084 ppm1 0.945 ppm2 8.821 volume 0.1578 assi ((( attr rmsd < 0.995) and (attr rmsd > 0.895)) and bondedto(attr rmsd < 27.281 and attr rmsd > 26.281)) ( attr rmsd < 8.871 and attr rmsd > 8.771) 6 6 0 peak 20084 ppm1 0.945 ppm2 8.821 volume 0.1578 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 74.719 and attr rmsd > 73.719)) ( attr rmsd < 8.977 and attr rmsd > 8.877) 6 6 0 peak 10085 ppm1 0.886 ppm2 8.927 volume 0.1513 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 27.199 and attr rmsd > 26.199)) ( attr rmsd < 8.977 and attr rmsd > 8.877) 6 6 0 peak 20085 ppm1 0.886 ppm2 8.927 volume 0.1513 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) ( attr rmsd < 6.987 and attr rmsd > 6.887) 6 6 0 peak 86 ppm1 0.886 ppm2 6.937 volume 0.3315 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 74.737 and attr rmsd > 73.737)) ( attr rmsd < 6.987 and attr rmsd > 6.887) 6 6 0 peak 10086 ppm1 0.886 ppm2 6.937 volume 0.3315 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 27.217 and attr rmsd > 26.217)) ( attr rmsd < 6.987 and attr rmsd > 6.887) 6 6 0 peak 20086 ppm1 0.886 ppm2 6.937 volume 0.3315 assi ((( attr rmsd < 0.940) and (attr rmsd > 0.840)) ( attr rmsd < 6.690 and attr rmsd > 6.590) 6 6 0 peak 87 ppm1 0.890 ppm2 6.640 volume 0.3843 assi ((( attr rmsd < 0.940) and (attr rmsd > 0.840)) and bondedto(attr rmsd < 74.700 and attr rmsd > 73.700)) ( attr rmsd < 6.690 and attr rmsd > 6.590) 6 6 0 peak 10087 ppm1 0.890 ppm2 6.640 volume 0.3843 assi ((( attr rmsd < 0.940) and (attr rmsd > 0.840)) and bondedto(attr rmsd < 27.180 and attr rmsd > 26.180)) ( attr rmsd < 6.690 and attr rmsd > 6.590) 6 6 0 peak 20087 ppm1 0.890 ppm2 6.640 volume 0.3843 assi ((( attr rmsd < 0.938) and (attr rmsd > 0.838)) and bondedto(attr rmsd < 50.963 and attr rmsd > 49.963)) ( attr rmsd < 8.731 and attr rmsd > 8.631) 6 6 0 peak 88 ppm1 0.888 ppm2 8.681 volume 0.1474 assi ((( attr rmsd < 1.910) and (attr rmsd > 1.810)) and bondedto(attr rmsd < 74.526 and attr rmsd > 73.526)) ( attr rmsd < 8.832 and attr rmsd > 8.732) 6 6 0 peak 10089 ppm1 1.860 ppm2 8.782 volume 0.2217 assi ((( attr rmsd < 1.910) and (attr rmsd > 1.810)) and bondedto(attr rmsd < 27.006 and attr rmsd > 26.006)) ( attr rmsd < 8.832 and attr rmsd > 8.732) 6 6 0 peak 20089 ppm1 1.860 ppm2 8.782 volume 0.2217 assi ((( attr rmsd < 0.934) and (attr rmsd > 0.834)) and bondedto(attr rmsd < 74.648 and attr rmsd > 73.648)) ( attr rmsd < 8.833 and attr rmsd > 8.733) 6 6 0 peak 10090 ppm1 0.884 ppm2 8.783 volume 0.3040 assi ((( attr rmsd < 0.934) and (attr rmsd > 0.834)) and bondedto(attr rmsd < 27.128 and attr rmsd > 26.128)) ( attr rmsd < 8.833 and attr rmsd > 8.733) 6 6 0 peak 20090 ppm1 0.884 ppm2 8.783 volume 0.3040 assi ((( attr rmsd < 1.555) and (attr rmsd > 1.455)) and bondedto(attr rmsd < 73.771 and attr rmsd > 72.771)) ( attr rmsd < 7.842 and attr rmsd > 7.742) 6 6 0 peak 10091 ppm1 1.505 ppm2 7.792 volume 0.1630 assi ((( attr rmsd < 1.555) and (attr rmsd > 1.455)) and bondedto(attr rmsd < 26.251 and attr rmsd > 25.251)) ( attr rmsd < 7.842 and attr rmsd > 7.742) 6 6 0 peak 20091 ppm1 1.505 ppm2 7.792 volume 0.1630 assi ((( attr rmsd < 0.738) and (attr rmsd > 0.638)) and bondedto(attr rmsd < 73.870 and attr rmsd > 72.870)) ( attr rmsd < 8.150 and attr rmsd > 8.050) 6 6 0 peak 10092 ppm1 0.688 ppm2 8.100 volume 0.1671 assi ((( attr rmsd < 0.738) and (attr rmsd > 0.638)) and bondedto(attr rmsd < 26.350 and attr rmsd > 25.350)) ( attr rmsd < 8.150 and attr rmsd > 8.050) 6 6 0 peak 20092 ppm1 0.688 ppm2 8.100 volume 0.1671 assi ((( attr rmsd < 0.733) and (attr rmsd > 0.633)) ( attr rmsd < 6.988 and attr rmsd > 6.888) 6 6 0 peak 93 ppm1 0.683 ppm2 6.938 volume 0.1565 assi ((( attr rmsd < 0.733) and (attr rmsd > 0.633)) and bondedto(attr rmsd < 73.736 and attr rmsd > 72.736)) ( attr rmsd < 6.988 and attr rmsd > 6.888) 6 6 0 peak 10093 ppm1 0.683 ppm2 6.938 volume 0.1565 assi ((( attr rmsd < 0.733) and (attr rmsd > 0.633)) and bondedto(attr rmsd < 26.216 and attr rmsd > 25.216)) ( attr rmsd < 6.988 and attr rmsd > 6.888) 6 6 0 peak 20093 ppm1 0.683 ppm2 6.938 volume 0.1565 assi ((( attr rmsd < 1.773) and (attr rmsd > 1.673)) and bondedto(attr rmsd < 73.694 and attr rmsd > 72.694)) ( attr rmsd < 7.840 and attr rmsd > 7.740) 6 6 0 peak 10094 ppm1 1.723 ppm2 7.790 volume 0.2919 assi ((( attr rmsd < 1.773) and (attr rmsd > 1.673)) and bondedto(attr rmsd < 26.174 and attr rmsd > 25.174)) ( attr rmsd < 7.840 and attr rmsd > 7.740) 6 6 0 peak 20094 ppm1 1.723 ppm2 7.790 volume 0.2919 assi ((( attr rmsd < 1.701) and (attr rmsd > 1.601)) and bondedto(attr rmsd < 73.650 and attr rmsd > 72.650)) ( attr rmsd < 8.655 and attr rmsd > 8.555) 6 6 0 peak 10095 ppm1 1.651 ppm2 8.605 volume 0.3887 assi ((( attr rmsd < 1.701) and (attr rmsd > 1.601)) and bondedto(attr rmsd < 26.130 and attr rmsd > 25.130)) ( attr rmsd < 8.655 and attr rmsd > 8.555) 6 6 0 peak 20095 ppm1 1.651 ppm2 8.605 volume 0.3887 assi ((( attr rmsd < 0.868) and (attr rmsd > 0.768)) and bondedto(attr rmsd < 73.638 and attr rmsd > 72.638)) ( attr rmsd < 8.254 and attr rmsd > 8.154) 6 6 0 peak 10096 ppm1 0.818 ppm2 8.204 volume 0.1530 assi ((( attr rmsd < 0.868) and (attr rmsd > 0.768)) and bondedto(attr rmsd < 26.118 and attr rmsd > 25.118)) ( attr rmsd < 8.254 and attr rmsd > 8.154) 6 6 0 peak 20096 ppm1 0.818 ppm2 8.204 volume 0.1530 assi ((( attr rmsd < 1.602) and (attr rmsd > 1.502)) and bondedto(attr rmsd < 73.444 and attr rmsd > 72.444)) ( attr rmsd < 8.391 and attr rmsd > 8.291) 6 6 0 peak 10097 ppm1 1.552 ppm2 8.341 volume 0.1827 assi ((( attr rmsd < 1.602) and (attr rmsd > 1.502)) and bondedto(attr rmsd < 25.924 and attr rmsd > 24.924)) ( attr rmsd < 8.391 and attr rmsd > 8.291) 6 6 0 peak 20097 ppm1 1.552 ppm2 8.341 volume 0.1827 assi ((( attr rmsd < 1.717) and (attr rmsd > 1.617)) and bondedto(attr rmsd < 72.912 and attr rmsd > 71.912)) ( attr rmsd < 8.089 and attr rmsd > 7.989) 6 6 0 peak 10098 ppm1 1.667 ppm2 8.039 volume 0.1561 assi ((( attr rmsd < 1.717) and (attr rmsd > 1.617)) and bondedto(attr rmsd < 25.392 and attr rmsd > 24.392)) ( attr rmsd < 8.089 and attr rmsd > 7.989) 6 6 0 peak 20098 ppm1 1.667 ppm2 8.039 volume 0.1561 assi ((( attr rmsd < 1.723) and (attr rmsd > 1.623)) and bondedto(attr rmsd < 72.924 and attr rmsd > 71.924)) ( attr rmsd < 7.314 and attr rmsd > 7.214) 6 6 0 peak 10099 ppm1 1.673 ppm2 7.264 volume 0.3078 assi ((( attr rmsd < 1.723) and (attr rmsd > 1.623)) and bondedto(attr rmsd < 25.404 and attr rmsd > 24.404)) ( attr rmsd < 7.314 and attr rmsd > 7.214) 6 6 0 peak 20099 ppm1 1.673 ppm2 7.264 volume 0.3078 assi ((( attr rmsd < 1.351) and (attr rmsd > 1.251)) and bondedto(attr rmsd < 72.940 and attr rmsd > 71.940)) ( attr rmsd < 7.317 and attr rmsd > 7.217) 6 6 0 peak 10100 ppm1 1.301 ppm2 7.267 volume 0.1835 assi ((( attr rmsd < 1.351) and (attr rmsd > 1.251)) and bondedto(attr rmsd < 25.420 and attr rmsd > 24.420)) ( attr rmsd < 7.317 and attr rmsd > 7.217) 6 6 0 peak 20100 ppm1 1.301 ppm2 7.267 volume 0.1835 assi ((( attr rmsd < 1.344) and (attr rmsd > 1.244)) and bondedto(attr rmsd < 72.949 and attr rmsd > 71.949)) ( attr rmsd < 8.090 and attr rmsd > 7.990) 6 6 0 peak 10101 ppm1 1.294 ppm2 8.040 volume 0.1472 assi ((( attr rmsd < 1.344) and (attr rmsd > 1.244)) and bondedto(attr rmsd < 25.429 and attr rmsd > 24.429)) ( attr rmsd < 8.090 and attr rmsd > 7.990) 6 6 0 peak 20101 ppm1 1.294 ppm2 8.040 volume 0.1472 assi ((( attr rmsd < 1.560) and (attr rmsd > 1.460)) and bondedto(attr rmsd < 72.622 and attr rmsd > 71.622)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 10102 ppm1 1.510 ppm2 8.207 volume 0.1761 assi ((( attr rmsd < 1.560) and (attr rmsd > 1.460)) and bondedto(attr rmsd < 25.102 and attr rmsd > 24.102)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 20102 ppm1 1.510 ppm2 8.207 volume 0.1761 assi ((( attr rmsd < 1.517) and (attr rmsd > 1.417)) and bondedto(attr rmsd < 72.644 and attr rmsd > 71.644)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 10103 ppm1 1.467 ppm2 8.207 volume 0.1900 assi ((( attr rmsd < 1.517) and (attr rmsd > 1.417)) and bondedto(attr rmsd < 25.124 and attr rmsd > 24.124)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 20103 ppm1 1.467 ppm2 8.207 volume 0.1900 assi ((( attr rmsd < 4.877) and (attr rmsd > 4.777)) and bondedto(attr rmsd < 48.424 and attr rmsd > 47.424)) ( attr rmsd < 7.098 and attr rmsd > 6.998) 6 6 0 peak 104 ppm1 4.827 ppm2 7.048 volume 0.2004 assi ((( attr rmsd < 4.807) and (attr rmsd > 4.707)) and bondedto(attr rmsd < 48.403 and attr rmsd > 47.403)) ( attr rmsd < 7.095 and attr rmsd > 6.995) 6 6 0 peak 105 ppm1 4.757 ppm2 7.045 volume 0.2094 assi ((( attr rmsd < 4.742) and (attr rmsd > 4.642)) and bondedto(attr rmsd < 48.419 and attr rmsd > 47.419)) ( attr rmsd < 7.093 and attr rmsd > 6.993) 6 6 0 peak 106 ppm1 4.692 ppm2 7.043 volume 0.2391 assi ((( attr rmsd < 0.900) and (attr rmsd > 0.800)) and bondedto(attr rmsd < 72.010 and attr rmsd > 71.010)) ( attr rmsd < 8.949 and attr rmsd > 8.849) 6 6 0 peak 10107 ppm1 0.850 ppm2 8.899 volume 0.6620 assi ((( attr rmsd < 0.900) and (attr rmsd > 0.800)) and bondedto(attr rmsd < 24.490 and attr rmsd > 23.490)) ( attr rmsd < 8.949 and attr rmsd > 8.849) 6 6 0 peak 20107 ppm1 0.850 ppm2 8.899 volume 0.6620 assi ((( attr rmsd < 4.164) and (attr rmsd > 4.064)) and bondedto(attr rmsd < 71.691 and attr rmsd > 70.691)) ( attr rmsd < 8.078 and attr rmsd > 7.978) 6 6 0 peak 10108 ppm1 4.114 ppm2 8.028 volume 0.4391 assi ((( attr rmsd < 4.164) and (attr rmsd > 4.064)) and bondedto(attr rmsd < 24.171 and attr rmsd > 23.171)) ( attr rmsd < 8.078 and attr rmsd > 7.978) 6 6 0 peak 20108 ppm1 4.114 ppm2 8.028 volume 0.4391 assi ((( attr rmsd < 0.827) and (attr rmsd > 0.727)) and bondedto(attr rmsd < 71.539 and attr rmsd > 70.539)) ( attr rmsd < 7.717 and attr rmsd > 7.617) 6 6 0 peak 10109 ppm1 0.777 ppm2 7.667 volume 0.2086 assi ((( attr rmsd < 0.827) and (attr rmsd > 0.727)) and bondedto(attr rmsd < 24.019 and attr rmsd > 23.019)) ( attr rmsd < 7.717 and attr rmsd > 7.617) 6 6 0 peak 20109 ppm1 0.777 ppm2 7.667 volume 0.2086 assi ((( attr rmsd < 1.258) and (attr rmsd > 1.158)) and bondedto(attr rmsd < 71.019 and attr rmsd > 70.019)) ( attr rmsd < 8.966 and attr rmsd > 8.866) 6 6 0 peak 10110 ppm1 1.208 ppm2 8.916 volume 0.6095 assi ((( attr rmsd < 1.258) and (attr rmsd > 1.158)) and bondedto(attr rmsd < 23.499 and attr rmsd > 22.499)) ( attr rmsd < 8.966 and attr rmsd > 8.866) 6 6 0 peak 20110 ppm1 1.208 ppm2 8.916 volume 0.6095 assi ((( attr rmsd < 1.257) and (attr rmsd > 1.157)) and bondedto(attr rmsd < 71.014 and attr rmsd > 70.014)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 10111 ppm1 1.207 ppm2 8.413 volume 0.3887 assi ((( attr rmsd < 1.257) and (attr rmsd > 1.157)) and bondedto(attr rmsd < 23.494 and attr rmsd > 22.494)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 20111 ppm1 1.207 ppm2 8.413 volume 0.3887 assi ((( attr rmsd < 0.982) and (attr rmsd > 0.882)) and bondedto(attr rmsd < 71.075 and attr rmsd > 70.075)) ( attr rmsd < 8.962 and attr rmsd > 8.862) 6 6 0 peak 10112 ppm1 0.932 ppm2 8.912 volume 0.3872 assi ((( attr rmsd < 0.982) and (attr rmsd > 0.882)) and bondedto(attr rmsd < 23.555 and attr rmsd > 22.555)) ( attr rmsd < 8.962 and attr rmsd > 8.862) 6 6 0 peak 20112 ppm1 0.932 ppm2 8.912 volume 0.3872 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 71.078 and attr rmsd > 70.078)) ( attr rmsd < 8.833 and attr rmsd > 8.733) 6 6 0 peak 10113 ppm1 0.930 ppm2 8.783 volume 0.2211 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 23.558 and attr rmsd > 22.558)) ( attr rmsd < 8.833 and attr rmsd > 8.733) 6 6 0 peak 20113 ppm1 0.930 ppm2 8.783 volume 0.2211 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) ( attr rmsd < 6.985 and attr rmsd > 6.885) 6 6 0 peak 114 ppm1 0.928 ppm2 6.935 volume 0.1599 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) and bondedto(attr rmsd < 71.078 and attr rmsd > 70.078)) ( attr rmsd < 6.985 and attr rmsd > 6.885) 6 6 0 peak 10114 ppm1 0.928 ppm2 6.935 volume 0.1599 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) and bondedto(attr rmsd < 23.558 and attr rmsd > 22.558)) ( attr rmsd < 6.985 and attr rmsd > 6.885) 6 6 0 peak 20114 ppm1 0.928 ppm2 6.935 volume 0.1599 assi ((( attr rmsd < 0.984) and (attr rmsd > 0.884)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 115 ppm1 0.934 ppm2 6.641 volume 0.3032 assi ((( attr rmsd < 0.984) and (attr rmsd > 0.884)) and bondedto(attr rmsd < 71.053 and attr rmsd > 70.053)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 10115 ppm1 0.934 ppm2 6.641 volume 0.3032 assi ((( attr rmsd < 0.984) and (attr rmsd > 0.884)) and bondedto(attr rmsd < 23.533 and attr rmsd > 22.533)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 20115 ppm1 0.934 ppm2 6.641 volume 0.3032 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 47.261 and attr rmsd > 46.261)) ( attr rmsd < 8.558 and attr rmsd > 8.458) 6 6 0 peak 116 ppm1 1.202 ppm2 8.508 volume 0.1485 assi ((( attr rmsd < 0.790) and (attr rmsd > 0.690)) and bondedto(attr rmsd < 70.899 and attr rmsd > 69.899)) ( attr rmsd < 8.301 and attr rmsd > 8.201) 6 6 0 peak 10117 ppm1 0.740 ppm2 8.251 volume 1.2068 assi ((( attr rmsd < 0.790) and (attr rmsd > 0.690)) and bondedto(attr rmsd < 23.379 and attr rmsd > 22.379)) ( attr rmsd < 8.301 and attr rmsd > 8.201) 6 6 0 peak 20117 ppm1 0.740 ppm2 8.251 volume 1.2068 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 118 ppm1 0.741 ppm2 6.642 volume 0.3002 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 70.902 and attr rmsd > 69.902)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 10118 ppm1 0.741 ppm2 6.642 volume 0.3002 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 23.382 and attr rmsd > 22.382)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 20118 ppm1 0.741 ppm2 6.642 volume 0.3002 assi ((( attr rmsd < 4.016) and (attr rmsd > 3.916)) and bondedto(attr rmsd < 46.871 and attr rmsd > 45.871)) ( attr rmsd < 7.717 and attr rmsd > 7.617) 6 6 0 peak 119 ppm1 3.966 ppm2 7.667 volume 0.6466 assi ((( attr rmsd < 4.008) and (attr rmsd > 3.908)) and bondedto(attr rmsd < 46.875 and attr rmsd > 45.875)) ( attr rmsd < 8.090 and attr rmsd > 7.990) 6 6 0 peak 120 ppm1 3.958 ppm2 8.040 volume 0.2109 assi ((( attr rmsd < 3.929) and (attr rmsd > 3.829)) and bondedto(attr rmsd < 46.853 and attr rmsd > 45.853)) ( attr rmsd < 8.090 and attr rmsd > 7.990) 6 6 0 peak 121 ppm1 3.879 ppm2 8.040 volume 0.1947 assi ((( attr rmsd < 3.930) and (attr rmsd > 3.830)) and bondedto(attr rmsd < 46.870 and attr rmsd > 45.870)) ( attr rmsd < 7.716 and attr rmsd > 7.616) 6 6 0 peak 122 ppm1 3.880 ppm2 7.666 volume 0.5676 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 70.441 and attr rmsd > 69.441)) ( attr rmsd < 8.148 and attr rmsd > 8.048) 6 6 0 peak 10123 ppm1 0.867 ppm2 8.098 volume 0.3738 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 22.921 and attr rmsd > 21.921)) ( attr rmsd < 8.148 and attr rmsd > 8.048) 6 6 0 peak 20123 ppm1 0.867 ppm2 8.098 volume 0.3738 assi ((( attr rmsd < 0.831) and (attr rmsd > 0.731)) and bondedto(attr rmsd < 70.503 and attr rmsd > 69.503)) ( attr rmsd < 8.986 and attr rmsd > 8.886) 6 6 0 peak 10124 ppm1 0.781 ppm2 8.936 volume 0.7859 assi ((( attr rmsd < 0.831) and (attr rmsd > 0.731)) and bondedto(attr rmsd < 22.983 and attr rmsd > 21.983)) ( attr rmsd < 8.986 and attr rmsd > 8.886) 6 6 0 peak 20124 ppm1 0.781 ppm2 8.936 volume 0.7859 assi ((( attr rmsd < 0.836) and (attr rmsd > 0.736)) and bondedto(attr rmsd < 70.509 and attr rmsd > 69.509)) ( attr rmsd < 6.896 and attr rmsd > 6.796) 6 6 0 peak 10125 ppm1 0.786 ppm2 6.846 volume 0.2670 assi ((( attr rmsd < 0.836) and (attr rmsd > 0.736)) and bondedto(attr rmsd < 22.989 and attr rmsd > 21.989)) ( attr rmsd < 6.896 and attr rmsd > 6.796) 6 6 0 peak 20125 ppm1 0.786 ppm2 6.846 volume 0.2670 assi ((( attr rmsd < 0.701) and (attr rmsd > 0.601)) and bondedto(attr rmsd < 70.464 and attr rmsd > 69.464)) ( attr rmsd < 8.255 and attr rmsd > 8.155) 6 6 0 peak 10126 ppm1 0.651 ppm2 8.205 volume 0.2797 assi ((( attr rmsd < 0.701) and (attr rmsd > 0.601)) and bondedto(attr rmsd < 22.944 and attr rmsd > 21.944)) ( attr rmsd < 8.255 and attr rmsd > 8.155) 6 6 0 peak 20126 ppm1 0.651 ppm2 8.205 volume 0.2797 assi ((( attr rmsd < 0.836) and (attr rmsd > 0.736)) and bondedto(attr rmsd < 46.767 and attr rmsd > 45.767)) ( attr rmsd < 8.884 and attr rmsd > 8.784) 6 6 0 peak 127 ppm1 0.786 ppm2 8.834 volume 0.1726 assi ((( attr rmsd < 0.556) and (attr rmsd > 0.456)) and bondedto(attr rmsd < 70.323 and attr rmsd > 69.323)) ( attr rmsd < 9.165 and attr rmsd > 9.065) 6 6 0 peak 10128 ppm1 0.506 ppm2 9.115 volume 0.3144 assi ((( attr rmsd < 0.556) and (attr rmsd > 0.456)) and bondedto(attr rmsd < 22.803 and attr rmsd > 21.803)) ( attr rmsd < 9.165 and attr rmsd > 9.065) 6 6 0 peak 20128 ppm1 0.506 ppm2 9.115 volume 0.3144 assi ((( attr rmsd < 0.552) and (attr rmsd > 0.452)) and bondedto(attr rmsd < 70.300 and attr rmsd > 69.300)) ( attr rmsd < 8.956 and attr rmsd > 8.856) 6 6 0 peak 10129 ppm1 0.502 ppm2 8.906 volume 0.2531 assi ((( attr rmsd < 0.552) and (attr rmsd > 0.452)) and bondedto(attr rmsd < 22.780 and attr rmsd > 21.780)) ( attr rmsd < 8.956 and attr rmsd > 8.856) 6 6 0 peak 20129 ppm1 0.502 ppm2 8.906 volume 0.2531 assi ((( attr rmsd < 0.554) and (attr rmsd > 0.454)) and bondedto(attr rmsd < 46.512 and attr rmsd > 45.512)) ( attr rmsd < 9.066 and attr rmsd > 8.966) 6 6 0 peak 130 ppm1 0.504 ppm2 9.016 volume 0.1778 assi ((( attr rmsd < 1.275) and (attr rmsd > 1.175)) and bondedto(attr rmsd < 70.094 and attr rmsd > 69.094)) ( attr rmsd < 6.907 and attr rmsd > 6.807) 6 6 0 peak 10131 ppm1 1.225 ppm2 6.857 volume 0.8031 assi ((( attr rmsd < 1.275) and (attr rmsd > 1.175)) and bondedto(attr rmsd < 22.574 and attr rmsd > 21.574)) ( attr rmsd < 6.907 and attr rmsd > 6.807) 6 6 0 peak 20131 ppm1 1.225 ppm2 6.857 volume 0.8031 assi ((( attr rmsd < 0.774) and (attr rmsd > 0.674)) and bondedto(attr rmsd < 70.071 and attr rmsd > 69.071)) ( attr rmsd < 9.234 and attr rmsd > 9.134) 6 6 0 peak 10132 ppm1 0.724 ppm2 9.184 volume 0.4299 assi ((( attr rmsd < 0.774) and (attr rmsd > 0.674)) and bondedto(attr rmsd < 22.551 and attr rmsd > 21.551)) ( attr rmsd < 9.234 and attr rmsd > 9.134) 6 6 0 peak 20132 ppm1 0.724 ppm2 9.184 volume 0.4299 assi ((( attr rmsd < 0.773) and (attr rmsd > 0.673)) and bondedto(attr rmsd < 70.064 and attr rmsd > 69.064)) ( attr rmsd < 8.343 and attr rmsd > 8.243) 6 6 0 peak 10133 ppm1 0.723 ppm2 8.293 volume 0.1961 assi ((( attr rmsd < 0.773) and (attr rmsd > 0.673)) and bondedto(attr rmsd < 22.544 and attr rmsd > 21.544)) ( attr rmsd < 8.343 and attr rmsd > 8.243) 6 6 0 peak 20133 ppm1 0.723 ppm2 8.293 volume 0.1961 assi ((( attr rmsd < 0.766) and (attr rmsd > 0.666)) and bondedto(attr rmsd < 69.995 and attr rmsd > 68.995)) ( attr rmsd < 8.946 and attr rmsd > 8.846) 6 6 0 peak 10134 ppm1 0.716 ppm2 8.896 volume 0.8445 assi ((( attr rmsd < 0.766) and (attr rmsd > 0.666)) and bondedto(attr rmsd < 22.475 and attr rmsd > 21.475)) ( attr rmsd < 8.946 and attr rmsd > 8.846) 6 6 0 peak 20134 ppm1 0.716 ppm2 8.896 volume 0.8445 assi ((( attr rmsd < 0.788) and (attr rmsd > 0.688)) and bondedto(attr rmsd < 46.249 and attr rmsd > 45.249)) ( attr rmsd < 8.268 and attr rmsd > 8.168) 6 6 0 peak 135 ppm1 0.738 ppm2 8.218 volume 0.1605 assi ((( attr rmsd < 0.630) and (attr rmsd > 0.530)) and bondedto(attr rmsd < 46.241 and attr rmsd > 45.241)) ( attr rmsd < 8.707 and attr rmsd > 8.607) 6 6 0 peak 136 ppm1 0.580 ppm2 8.657 volume 0.1540 assi ((( attr rmsd < 0.634) and (attr rmsd > 0.534)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 137 ppm1 0.584 ppm2 6.641 volume 0.2269 assi ((( attr rmsd < 0.634) and (attr rmsd > 0.534)) and bondedto(attr rmsd < 69.911 and attr rmsd > 68.911)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 10137 ppm1 0.584 ppm2 6.641 volume 0.2269 assi ((( attr rmsd < 0.634) and (attr rmsd > 0.534)) and bondedto(attr rmsd < 22.391 and attr rmsd > 21.391)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 20137 ppm1 0.584 ppm2 6.641 volume 0.2269 assi ((( attr rmsd < 0.626) and (attr rmsd > 0.526)) and bondedto(attr rmsd < 69.917 and attr rmsd > 68.917)) ( attr rmsd < 8.517 and attr rmsd > 8.417) 6 6 0 peak 10138 ppm1 0.576 ppm2 8.467 volume 0.3551 assi ((( attr rmsd < 0.626) and (attr rmsd > 0.526)) and bondedto(attr rmsd < 22.397 and attr rmsd > 21.397)) ( attr rmsd < 8.517 and attr rmsd > 8.417) 6 6 0 peak 20138 ppm1 0.576 ppm2 8.467 volume 0.3551 assi ((( attr rmsd < 1.230) and (attr rmsd > 1.130)) and bondedto(attr rmsd < 69.507 and attr rmsd > 68.507)) ( attr rmsd < 8.028 and attr rmsd > 7.928) 6 6 0 peak 10139 ppm1 1.180 ppm2 7.978 volume 1.3817 assi ((( attr rmsd < 1.230) and (attr rmsd > 1.130)) and bondedto(attr rmsd < 21.987 and attr rmsd > 20.987)) ( attr rmsd < 8.028 and attr rmsd > 7.928) 6 6 0 peak 20139 ppm1 1.180 ppm2 7.978 volume 1.3817 assi ((( attr rmsd < 1.163) and (attr rmsd > 1.063)) and bondedto(attr rmsd < 69.487 and attr rmsd > 68.487)) ( attr rmsd < 8.515 and attr rmsd > 8.415) 6 6 0 peak 10140 ppm1 1.113 ppm2 8.465 volume 0.1692 assi ((( attr rmsd < 1.163) and (attr rmsd > 1.063)) and bondedto(attr rmsd < 21.967 and attr rmsd > 20.967)) ( attr rmsd < 8.515 and attr rmsd > 8.415) 6 6 0 peak 20140 ppm1 1.113 ppm2 8.465 volume 0.1692 assi ((( attr rmsd < 1.169) and (attr rmsd > 1.069)) and bondedto(attr rmsd < 69.527 and attr rmsd > 68.527)) ( attr rmsd < 8.074 and attr rmsd > 7.974) 6 6 0 peak 10141 ppm1 1.119 ppm2 8.024 volume 0.2103 assi ((( attr rmsd < 1.169) and (attr rmsd > 1.069)) and bondedto(attr rmsd < 22.007 and attr rmsd > 21.007)) ( attr rmsd < 8.074 and attr rmsd > 7.974) 6 6 0 peak 20141 ppm1 1.119 ppm2 8.024 volume 0.2103 assi ((( attr rmsd < 0.884) and (attr rmsd > 0.784)) and bondedto(attr rmsd < 69.530 and attr rmsd > 68.530)) ( attr rmsd < 8.543 and attr rmsd > 8.443) 6 6 0 peak 10142 ppm1 0.834 ppm2 8.493 volume 0.5863 assi ((( attr rmsd < 0.884) and (attr rmsd > 0.784)) and bondedto(attr rmsd < 22.010 and attr rmsd > 21.010)) ( attr rmsd < 8.543 and attr rmsd > 8.443) 6 6 0 peak 20142 ppm1 0.834 ppm2 8.493 volume 0.5863 assi ((( attr rmsd < 0.777) and (attr rmsd > 0.677)) and bondedto(attr rmsd < 69.449 and attr rmsd > 68.449)) ( attr rmsd < 6.603 and attr rmsd > 6.503) 6 6 0 peak 10143 ppm1 0.727 ppm2 6.553 volume 0.2717 assi ((( attr rmsd < 0.777) and (attr rmsd > 0.677)) and bondedto(attr rmsd < 21.929 and attr rmsd > 20.929)) ( attr rmsd < 6.603 and attr rmsd > 6.503) 6 6 0 peak 20143 ppm1 0.727 ppm2 6.553 volume 0.2717 assi ((( attr rmsd < 4.592) and (attr rmsd > 4.492)) and bondedto(attr rmsd < 69.119 and attr rmsd > 68.119)) ( attr rmsd < 6.906 and attr rmsd > 6.806) 6 6 0 peak 10144 ppm1 4.542 ppm2 6.856 volume 0.1751 assi ((( attr rmsd < 4.592) and (attr rmsd > 4.492)) and bondedto(attr rmsd < 21.599 and attr rmsd > 20.599)) ( attr rmsd < 6.906 and attr rmsd > 6.806) 6 6 0 peak 20144 ppm1 4.542 ppm2 6.856 volume 0.1751 assi ((( attr rmsd < 4.238) and (attr rmsd > 4.138)) and bondedto(attr rmsd < 69.172 and attr rmsd > 68.172)) ( attr rmsd < 8.957 and attr rmsd > 8.857) 6 6 0 peak 10145 ppm1 4.188 ppm2 8.907 volume 0.1761 assi ((( attr rmsd < 4.238) and (attr rmsd > 4.138)) and bondedto(attr rmsd < 21.652 and attr rmsd > 20.652)) ( attr rmsd < 8.957 and attr rmsd > 8.857) 6 6 0 peak 20145 ppm1 4.188 ppm2 8.907 volume 0.1761 assi ((( attr rmsd < 4.243) and (attr rmsd > 4.143)) and bondedto(attr rmsd < 69.178 and attr rmsd > 68.178)) ( attr rmsd < 6.903 and attr rmsd > 6.803) 6 6 0 peak 10146 ppm1 4.193 ppm2 6.853 volume 0.1605 assi ((( attr rmsd < 4.243) and (attr rmsd > 4.143)) and bondedto(attr rmsd < 21.658 and attr rmsd > 20.658)) ( attr rmsd < 6.903 and attr rmsd > 6.803) 6 6 0 peak 20146 ppm1 4.193 ppm2 6.853 volume 0.1605 assi ((( attr rmsd < 4.523) and (attr rmsd > 4.423)) and bondedto(attr rmsd < 45.312 and attr rmsd > 44.312)) ( attr rmsd < 9.298 and attr rmsd > 9.198) 6 6 0 peak 147 ppm1 4.473 ppm2 9.248 volume 0.4169 assi ((( attr rmsd < 4.521) and (attr rmsd > 4.421)) and bondedto(attr rmsd < 45.301 and attr rmsd > 44.301)) ( attr rmsd < 8.337 and attr rmsd > 8.237) 6 6 0 peak 148 ppm1 4.471 ppm2 8.287 volume 0.1743 assi ((( attr rmsd < 3.609) and (attr rmsd > 3.509)) and bondedto(attr rmsd < 45.311 and attr rmsd > 44.311)) ( attr rmsd < 9.301 and attr rmsd > 9.201) 6 6 0 peak 149 ppm1 3.559 ppm2 9.251 volume 0.4561 assi ((( attr rmsd < 1.711) and (attr rmsd > 1.611)) and bondedto(attr rmsd < 45.296 and attr rmsd > 44.296)) ( attr rmsd < 8.499 and attr rmsd > 8.399) 6 6 0 peak 150 ppm1 1.661 ppm2 8.449 volume 0.2463 assi ((( attr rmsd < 1.385) and (attr rmsd > 1.285)) and bondedto(attr rmsd < 45.303 and attr rmsd > 44.303)) ( attr rmsd < 8.501 and attr rmsd > 8.401) 6 6 0 peak 151 ppm1 1.335 ppm2 8.451 volume 0.1860 assi ((( attr rmsd < 1.030) and (attr rmsd > 0.930)) and bondedto(attr rmsd < 68.540 and attr rmsd > 67.540)) ( attr rmsd < 8.185 and attr rmsd > 8.085) 6 6 0 peak 10152 ppm1 0.980 ppm2 8.135 volume 0.6165 assi ((( attr rmsd < 1.030) and (attr rmsd > 0.930)) and bondedto(attr rmsd < 21.020 and attr rmsd > 20.020)) ( attr rmsd < 8.185 and attr rmsd > 8.085) 6 6 0 peak 20152 ppm1 0.980 ppm2 8.135 volume 0.6165 assi ((( attr rmsd < 1.342) and (attr rmsd > 1.242)) and bondedto(attr rmsd < 68.338 and attr rmsd > 67.338)) ( attr rmsd < 9.441 and attr rmsd > 9.341) 6 6 0 peak 10153 ppm1 1.292 ppm2 9.391 volume 0.6090 assi ((( attr rmsd < 1.342) and (attr rmsd > 1.242)) and bondedto(attr rmsd < 20.818 and attr rmsd > 19.818)) ( attr rmsd < 9.441 and attr rmsd > 9.341) 6 6 0 peak 20153 ppm1 1.292 ppm2 9.391 volume 0.6090 assi ((( attr rmsd < 1.338) and (attr rmsd > 1.238)) and bondedto(attr rmsd < 68.337 and attr rmsd > 67.337)) ( attr rmsd < 8.093 and attr rmsd > 7.993) 6 6 0 peak 10154 ppm1 1.288 ppm2 8.043 volume 1.0996 assi ((( attr rmsd < 1.338) and (attr rmsd > 1.238)) and bondedto(attr rmsd < 20.817 and attr rmsd > 19.817)) ( attr rmsd < 8.093 and attr rmsd > 7.993) 6 6 0 peak 20154 ppm1 1.288 ppm2 8.043 volume 1.0996 assi ((( attr rmsd < 1.342) and (attr rmsd > 1.242)) and bondedto(attr rmsd < 68.395 and attr rmsd > 67.395)) ( attr rmsd < 7.719 and attr rmsd > 7.619) 6 6 0 peak 10155 ppm1 1.292 ppm2 7.669 volume 0.1817 assi ((( attr rmsd < 1.342) and (attr rmsd > 1.242)) and bondedto(attr rmsd < 20.875 and attr rmsd > 19.875)) ( attr rmsd < 7.719 and attr rmsd > 7.619) 6 6 0 peak 20155 ppm1 1.292 ppm2 7.669 volume 0.1817 assi ((( attr rmsd < 0.414) and (attr rmsd > 0.314)) and bondedto(attr rmsd < 68.164 and attr rmsd > 67.164)) ( attr rmsd < 6.894 and attr rmsd > 6.794) 6 6 0 peak 10156 ppm1 0.364 ppm2 6.844 volume 0.2003 assi ((( attr rmsd < 0.414) and (attr rmsd > 0.314)) and bondedto(attr rmsd < 20.644 and attr rmsd > 19.644)) ( attr rmsd < 6.894 and attr rmsd > 6.794) 6 6 0 peak 20156 ppm1 0.364 ppm2 6.844 volume 0.2003 assi ((( attr rmsd < 0.252) and (attr rmsd > 0.152)) and bondedto(attr rmsd < 67.857 and attr rmsd > 66.857)) ( attr rmsd < 8.283 and attr rmsd > 8.183) 6 6 0 peak 10157 ppm1 0.202 ppm2 8.233 volume 0.3777 assi ((( attr rmsd < 0.252) and (attr rmsd > 0.152)) and bondedto(attr rmsd < 20.337 and attr rmsd > 19.337)) ( attr rmsd < 8.283 and attr rmsd > 8.183) 6 6 0 peak 20157 ppm1 0.202 ppm2 8.233 volume 0.3777 assi ((( attr rmsd < 0.257) and (attr rmsd > 0.157)) ( attr rmsd < 6.693 and attr rmsd > 6.593) 6 6 0 peak 158 ppm1 0.207 ppm2 6.643 volume 0.2077 assi ((( attr rmsd < 0.257) and (attr rmsd > 0.157)) and bondedto(attr rmsd < 67.852 and attr rmsd > 66.852)) ( attr rmsd < 6.693 and attr rmsd > 6.593) 6 6 0 peak 10158 ppm1 0.207 ppm2 6.643 volume 0.2077 assi ((( attr rmsd < 0.257) and (attr rmsd > 0.157)) and bondedto(attr rmsd < 20.332 and attr rmsd > 19.332)) ( attr rmsd < 6.693 and attr rmsd > 6.593) 6 6 0 peak 20158 ppm1 0.207 ppm2 6.643 volume 0.2077 assi ((( attr rmsd < 0.250) and (attr rmsd > 0.150)) ( attr rmsd < 6.982 and attr rmsd > 6.882) 6 6 0 peak 159 ppm1 0.200 ppm2 6.932 volume 0.1709 assi ((( attr rmsd < 0.250) and (attr rmsd > 0.150)) and bondedto(attr rmsd < 67.841 and attr rmsd > 66.841)) ( attr rmsd < 6.982 and attr rmsd > 6.882) 6 6 0 peak 10159 ppm1 0.200 ppm2 6.932 volume 0.1709 assi ((( attr rmsd < 0.250) and (attr rmsd > 0.150)) and bondedto(attr rmsd < 20.321 and attr rmsd > 19.321)) ( attr rmsd < 6.982 and attr rmsd > 6.882) 6 6 0 peak 20159 ppm1 0.200 ppm2 6.932 volume 0.1709 assi ((( attr rmsd < 2.933) and (attr rmsd > 2.833)) and bondedto(attr rmsd < 43.695 and attr rmsd > 42.695)) ( attr rmsd < 7.741 and attr rmsd > 7.641) 6 6 0 peak 160 ppm1 2.883 ppm2 7.691 volume 0.4622 assi ((( attr rmsd < 2.938) and (attr rmsd > 2.838)) and bondedto(attr rmsd < 43.684 and attr rmsd > 42.684)) ( attr rmsd < 6.896 and attr rmsd > 6.796) 6 6 0 peak 161 ppm1 2.888 ppm2 6.846 volume 0.2380 assi ((( attr rmsd < 2.780) and (attr rmsd > 2.680)) and bondedto(attr rmsd < 43.674 and attr rmsd > 42.674)) ( attr rmsd < 7.736 and attr rmsd > 7.636) 6 6 0 peak 162 ppm1 2.730 ppm2 7.686 volume 0.4647 assi ((( attr rmsd < 2.790) and (attr rmsd > 2.690)) and bondedto(attr rmsd < 43.700 and attr rmsd > 42.700)) ( attr rmsd < 6.899 and attr rmsd > 6.799) 6 6 0 peak 163 ppm1 2.740 ppm2 6.849 volume 0.2222 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 66.614 and attr rmsd > 65.614)) ( attr rmsd < 7.935 and attr rmsd > 7.835) 6 6 0 peak 10164 ppm1 4.851 ppm2 7.885 volume 0.2994 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 19.094 and attr rmsd > 18.094)) ( attr rmsd < 7.935 and attr rmsd > 7.835) 6 6 0 peak 20164 ppm1 4.851 ppm2 7.885 volume 0.2994 assi ((( attr rmsd < 1.581) and (attr rmsd > 1.481)) and bondedto(attr rmsd < 66.663 and attr rmsd > 65.663)) ( attr rmsd < 7.940 and attr rmsd > 7.840) 6 6 0 peak 10165 ppm1 1.531 ppm2 7.890 volume 1.6772 assi ((( attr rmsd < 1.581) and (attr rmsd > 1.481)) and bondedto(attr rmsd < 19.143 and attr rmsd > 18.143)) ( attr rmsd < 7.940 and attr rmsd > 7.840) 6 6 0 peak 20165 ppm1 1.531 ppm2 7.890 volume 1.6772 assi ((( attr rmsd < 1.582) and (attr rmsd > 1.482)) and bondedto(attr rmsd < 66.648 and attr rmsd > 65.648)) ( attr rmsd < 7.312 and attr rmsd > 7.212) 6 6 0 peak 10166 ppm1 1.532 ppm2 7.262 volume 0.5126 assi ((( attr rmsd < 1.582) and (attr rmsd > 1.482)) and bondedto(attr rmsd < 19.128 and attr rmsd > 18.128)) ( attr rmsd < 7.312 and attr rmsd > 7.212) 6 6 0 peak 20166 ppm1 1.532 ppm2 7.262 volume 0.5126 assi ((( attr rmsd < 1.472) and (attr rmsd > 1.372)) and bondedto(attr rmsd < 66.783 and attr rmsd > 65.783)) ( attr rmsd < 8.253 and attr rmsd > 8.153) 6 6 0 peak 10167 ppm1 1.422 ppm2 8.203 volume 0.6139 assi ((( attr rmsd < 1.472) and (attr rmsd > 1.372)) and bondedto(attr rmsd < 19.263 and attr rmsd > 18.263)) ( attr rmsd < 8.253 and attr rmsd > 8.153) 6 6 0 peak 20167 ppm1 1.422 ppm2 8.203 volume 0.6139 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 66.740 and attr rmsd > 65.740)) ( attr rmsd < 7.731 and attr rmsd > 7.631) 6 6 0 peak 10168 ppm1 1.419 ppm2 7.681 volume 0.3459 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 19.220 and attr rmsd > 18.220)) ( attr rmsd < 7.731 and attr rmsd > 7.631) 6 6 0 peak 20168 ppm1 1.419 ppm2 7.681 volume 0.3459 assi ((( attr rmsd < 1.470) and (attr rmsd > 1.370)) and bondedto(attr rmsd < 66.763 and attr rmsd > 65.763)) ( attr rmsd < 6.893 and attr rmsd > 6.793) 6 6 0 peak 10169 ppm1 1.420 ppm2 6.843 volume 1.2609 assi ((( attr rmsd < 1.470) and (attr rmsd > 1.370)) and bondedto(attr rmsd < 19.243 and attr rmsd > 18.243)) ( attr rmsd < 6.893 and attr rmsd > 6.793) 6 6 0 peak 20169 ppm1 1.420 ppm2 6.843 volume 1.2609 assi ((( attr rmsd < 0.796) and (attr rmsd > 0.696)) and bondedto(attr rmsd < 66.618 and attr rmsd > 65.618)) ( attr rmsd < 8.831 and attr rmsd > 8.731) 6 6 0 peak 10170 ppm1 0.746 ppm2 8.781 volume 0.4536 assi ((( attr rmsd < 0.796) and (attr rmsd > 0.696)) and bondedto(attr rmsd < 19.098 and attr rmsd > 18.098)) ( attr rmsd < 8.831 and attr rmsd > 8.731) 6 6 0 peak 20170 ppm1 0.746 ppm2 8.781 volume 0.4536 assi ((( attr rmsd < 2.779) and (attr rmsd > 2.679)) ( attr rmsd < 6.989 and attr rmsd > 6.889) 6 6 0 peak 171 ppm1 2.729 ppm2 6.939 volume 0.3366 assi ((( attr rmsd < 2.779) and (attr rmsd > 2.679)) and bondedto(attr rmsd < 43.027 and attr rmsd > 42.027)) ( attr rmsd < 6.989 and attr rmsd > 6.889) 6 6 0 peak 171 ppm1 2.729 ppm2 6.939 volume 0.3366 assi ((( attr rmsd < 2.627) and (attr rmsd > 2.527)) and bondedto(attr rmsd < 43.016 and attr rmsd > 42.016)) ( attr rmsd < 8.073 and attr rmsd > 7.973) 6 6 0 peak 172 ppm1 2.577 ppm2 8.023 volume 0.1661 assi ((( attr rmsd < 2.626) and (attr rmsd > 2.526)) ( attr rmsd < 6.987 and attr rmsd > 6.887) 6 6 0 peak 173 ppm1 2.576 ppm2 6.937 volume 0.3277 assi ((( attr rmsd < 2.626) and (attr rmsd > 2.526)) and bondedto(attr rmsd < 43.025 and attr rmsd > 42.025)) ( attr rmsd < 6.987 and attr rmsd > 6.887) 6 6 0 peak 173 ppm1 2.576 ppm2 6.937 volume 0.3277 assi ((( attr rmsd < 1.592) and (attr rmsd > 1.492)) and bondedto(attr rmsd < 42.867 and attr rmsd > 41.867)) ( attr rmsd < 8.834 and attr rmsd > 8.734) 6 6 0 peak 174 ppm1 1.542 ppm2 8.784 volume 0.1525 assi ((( attr rmsd < 1.575) and (attr rmsd > 1.475)) and bondedto(attr rmsd < 42.970 and attr rmsd > 41.970)) ( attr rmsd < 7.831 and attr rmsd > 7.731) 6 6 0 peak 175 ppm1 1.525 ppm2 7.781 volume 0.2134 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 66.510 and attr rmsd > 65.510)) ( attr rmsd < 8.130 and attr rmsd > 8.030) 6 6 0 peak 10176 ppm1 4.851 ppm2 8.080 volume 0.2322 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 18.990 and attr rmsd > 17.990)) ( attr rmsd < 8.130 and attr rmsd > 8.030) 6 6 0 peak 20176 ppm1 4.851 ppm2 8.080 volume 0.2322 assi ((( attr rmsd < 4.761) and (attr rmsd > 4.661)) and bondedto(attr rmsd < 66.553 and attr rmsd > 65.553)) ( attr rmsd < 7.934 and attr rmsd > 7.834) 6 6 0 peak 10177 ppm1 4.711 ppm2 7.884 volume 0.1910 assi ((( attr rmsd < 4.761) and (attr rmsd > 4.661)) and bondedto(attr rmsd < 19.033 and attr rmsd > 18.033)) ( attr rmsd < 7.934 and attr rmsd > 7.834) 6 6 0 peak 20177 ppm1 4.711 ppm2 7.884 volume 0.1910 assi ((( attr rmsd < 3.582) and (attr rmsd > 3.482)) and bondedto(attr rmsd < 66.508 and attr rmsd > 65.508)) ( attr rmsd < 8.295 and attr rmsd > 8.195) 6 6 0 peak 10178 ppm1 3.532 ppm2 8.245 volume 0.3613 assi ((( attr rmsd < 3.582) and (attr rmsd > 3.482)) and bondedto(attr rmsd < 18.988 and attr rmsd > 17.988)) ( attr rmsd < 8.295 and attr rmsd > 8.195) 6 6 0 peak 20178 ppm1 3.532 ppm2 8.245 volume 0.3613 assi ((( attr rmsd < 3.577) and (attr rmsd > 3.477)) and bondedto(attr rmsd < 66.510 and attr rmsd > 65.510)) ( attr rmsd < 8.129 and attr rmsd > 8.029) 6 6 0 peak 10179 ppm1 3.527 ppm2 8.079 volume 0.2600 assi ((( attr rmsd < 3.577) and (attr rmsd > 3.477)) and bondedto(attr rmsd < 18.990 and attr rmsd > 17.990)) ( attr rmsd < 8.129 and attr rmsd > 8.029) 6 6 0 peak 20179 ppm1 3.527 ppm2 8.079 volume 0.2600 assi ((( attr rmsd < 1.934) and (attr rmsd > 1.834)) and bondedto(attr rmsd < 42.756 and attr rmsd > 41.756)) ( attr rmsd < 8.832 and attr rmsd > 8.732) 6 6 0 peak 180 ppm1 1.884 ppm2 8.782 volume 0.2274 assi ((( attr rmsd < 1.927) and (attr rmsd > 1.827)) and bondedto(attr rmsd < 42.729 and attr rmsd > 41.729)) ( attr rmsd < 8.981 and attr rmsd > 8.881) 6 6 0 peak 181 ppm1 1.877 ppm2 8.931 volume 0.1645 assi ((( attr rmsd < 1.615) and (attr rmsd > 1.515)) and bondedto(attr rmsd < 42.782 and attr rmsd > 41.782)) ( attr rmsd < 8.154 and attr rmsd > 8.054) 6 6 0 peak 182 ppm1 1.565 ppm2 8.104 volume 0.3959 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 66.304 and attr rmsd > 65.304)) ( attr rmsd < 9.229 and attr rmsd > 9.129) 6 6 0 peak 10183 ppm1 0.849 ppm2 9.179 volume 0.4002 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 18.784 and attr rmsd > 17.784)) ( attr rmsd < 9.229 and attr rmsd > 9.129) 6 6 0 peak 20183 ppm1 0.849 ppm2 9.179 volume 0.4002 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) ( attr rmsd < 6.991 and attr rmsd > 6.891) 6 6 0 peak 184 ppm1 0.848 ppm2 6.941 volume 0.4619 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) and bondedto(attr rmsd < 66.256 and attr rmsd > 65.256)) ( attr rmsd < 6.991 and attr rmsd > 6.891) 6 6 0 peak 10184 ppm1 0.848 ppm2 6.941 volume 0.4619 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) and bondedto(attr rmsd < 18.736 and attr rmsd > 17.736)) ( attr rmsd < 6.991 and attr rmsd > 6.891) 6 6 0 peak 20184 ppm1 0.848 ppm2 6.941 volume 0.4619 assi ((( attr rmsd < 4.222) and (attr rmsd > 4.122)) and bondedto(attr rmsd < 66.222 and attr rmsd > 65.222)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 10185 ppm1 4.172 ppm2 8.207 volume 0.1818 assi ((( attr rmsd < 4.222) and (attr rmsd > 4.122)) and bondedto(attr rmsd < 18.702 and attr rmsd > 17.702)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 20185 ppm1 4.172 ppm2 8.207 volume 0.1818 assi ((( attr rmsd < 3.624) and (attr rmsd > 3.524)) and bondedto(attr rmsd < 66.183 and attr rmsd > 65.183)) ( attr rmsd < 8.985 and attr rmsd > 8.885) 6 6 0 peak 10186 ppm1 3.574 ppm2 8.935 volume 0.3044 assi ((( attr rmsd < 3.624) and (attr rmsd > 3.524)) and bondedto(attr rmsd < 18.663 and attr rmsd > 17.663)) ( attr rmsd < 8.985 and attr rmsd > 8.885) 6 6 0 peak 20186 ppm1 3.574 ppm2 8.935 volume 0.3044 assi ((( attr rmsd < 3.634) and (attr rmsd > 3.534)) and bondedto(attr rmsd < 66.206 and attr rmsd > 65.206)) ( attr rmsd < 7.943 and attr rmsd > 7.843) 6 6 0 peak 10187 ppm1 3.584 ppm2 7.893 volume 0.1511 assi ((( attr rmsd < 3.634) and (attr rmsd > 3.534)) and bondedto(attr rmsd < 18.686 and attr rmsd > 17.686)) ( attr rmsd < 7.943 and attr rmsd > 7.843) 6 6 0 peak 20187 ppm1 3.584 ppm2 7.893 volume 0.1511 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 66.186 and attr rmsd > 65.186)) ( attr rmsd < 6.891 and attr rmsd > 6.791) 6 6 0 peak 10188 ppm1 3.580 ppm2 6.841 volume 0.1567 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 18.666 and attr rmsd > 17.666)) ( attr rmsd < 6.891 and attr rmsd > 6.791) 6 6 0 peak 20188 ppm1 3.580 ppm2 6.841 volume 0.1567 assi ((( attr rmsd < 1.510) and (attr rmsd > 1.410)) and bondedto(attr rmsd < 66.086 and attr rmsd > 65.086)) ( attr rmsd < 8.992 and attr rmsd > 8.892) 6 6 0 peak 10189 ppm1 1.460 ppm2 8.942 volume 1.2189 assi ((( attr rmsd < 1.510) and (attr rmsd > 1.410)) and bondedto(attr rmsd < 18.566 and attr rmsd > 17.566)) ( attr rmsd < 8.992 and attr rmsd > 8.892) 6 6 0 peak 20189 ppm1 1.460 ppm2 8.942 volume 1.2189 assi ((( attr rmsd < 1.515) and (attr rmsd > 1.415)) and bondedto(attr rmsd < 66.076 and attr rmsd > 65.076)) ( attr rmsd < 7.838 and attr rmsd > 7.738) 6 6 0 peak 10190 ppm1 1.465 ppm2 7.788 volume 0.8368 assi ((( attr rmsd < 1.515) and (attr rmsd > 1.415)) and bondedto(attr rmsd < 18.556 and attr rmsd > 17.556)) ( attr rmsd < 7.838 and attr rmsd > 7.738) 6 6 0 peak 20190 ppm1 1.465 ppm2 7.788 volume 0.8368 assi ((( attr rmsd < 2.848) and (attr rmsd > 2.748)) and bondedto(attr rmsd < 42.426 and attr rmsd > 41.426)) ( attr rmsd < 8.251 and attr rmsd > 8.151) 6 6 0 peak 191 ppm1 2.798 ppm2 8.201 volume 0.3143 assi ((( attr rmsd < 2.580) and (attr rmsd > 2.480)) and bondedto(attr rmsd < 42.430 and attr rmsd > 41.430)) ( attr rmsd < 8.249 and attr rmsd > 8.149) 6 6 0 peak 192 ppm1 2.530 ppm2 8.199 volume 0.4686 assi ((( attr rmsd < 2.955) and (attr rmsd > 2.855)) and bondedto(attr rmsd < 42.147 and attr rmsd > 41.147)) ( attr rmsd < 8.334 and attr rmsd > 8.234) 6 6 0 peak 193 ppm1 2.905 ppm2 8.284 volume 0.2923 assi ((( attr rmsd < 2.486) and (attr rmsd > 2.386)) and bondedto(attr rmsd < 42.193 and attr rmsd > 41.193)) ( attr rmsd < 9.045 and attr rmsd > 8.945) 6 6 0 peak 194 ppm1 2.436 ppm2 8.995 volume 0.1890 assi ((( attr rmsd < 2.490) and (attr rmsd > 2.390)) and bondedto(attr rmsd < 42.220 and attr rmsd > 41.220)) ( attr rmsd < 8.334 and attr rmsd > 8.234) 6 6 0 peak 195 ppm1 2.440 ppm2 8.284 volume 0.2744 assi ((( attr rmsd < 1.746) and (attr rmsd > 1.646)) and bondedto(attr rmsd < 42.166 and attr rmsd > 41.166)) ( attr rmsd < 8.657 and attr rmsd > 8.557) 6 6 0 peak 196 ppm1 1.696 ppm2 8.607 volume 0.2570 assi ((( attr rmsd < 0.888) and (attr rmsd > 0.788)) and bondedto(attr rmsd < 42.138 and attr rmsd > 41.138)) ( attr rmsd < 8.754 and attr rmsd > 8.654) 6 6 0 peak 197 ppm1 0.838 ppm2 8.704 volume 0.1753 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 65.847 and attr rmsd > 64.847)) ( attr rmsd < 7.571 and attr rmsd > 7.471) 6 6 0 peak 10198 ppm1 4.847 ppm2 7.521 volume 0.1446 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 18.327 and attr rmsd > 17.327)) ( attr rmsd < 7.571 and attr rmsd > 7.471) 6 6 0 peak 20198 ppm1 4.847 ppm2 7.521 volume 0.1446 assi ((( attr rmsd < 1.561) and (attr rmsd > 1.461)) and bondedto(attr rmsd < 65.848 and attr rmsd > 64.848)) ( attr rmsd < 8.139 and attr rmsd > 8.039) 6 6 0 peak 10199 ppm1 1.511 ppm2 8.089 volume 0.2845 assi ((( attr rmsd < 1.561) and (attr rmsd > 1.461)) and bondedto(attr rmsd < 18.328 and attr rmsd > 17.328)) ( attr rmsd < 8.139 and attr rmsd > 8.039) 6 6 0 peak 20199 ppm1 1.511 ppm2 8.089 volume 0.2845 assi ((( attr rmsd < 1.812) and (attr rmsd > 1.712)) and bondedto(attr rmsd < 41.911 and attr rmsd > 40.911)) ( attr rmsd < 7.722 and attr rmsd > 7.622) 6 6 0 peak 200 ppm1 1.762 ppm2 7.672 volume 0.2497 assi ((( attr rmsd < 1.584) and (attr rmsd > 1.484)) and bondedto(attr rmsd < 42.035 and attr rmsd > 41.035)) ( attr rmsd < 7.951 and attr rmsd > 7.851) 6 6 0 peak 201 ppm1 1.534 ppm2 7.901 volume 0.1691 assi ((( attr rmsd < 0.982) and (attr rmsd > 0.882)) and bondedto(attr rmsd < 65.668 and attr rmsd > 64.668)) ( attr rmsd < 8.848 and attr rmsd > 8.748) 6 6 0 peak 10202 ppm1 0.932 ppm2 8.798 volume 0.7579 assi ((( attr rmsd < 0.982) and (attr rmsd > 0.882)) and bondedto(attr rmsd < 18.148 and attr rmsd > 17.148)) ( attr rmsd < 8.848 and attr rmsd > 8.748) 6 6 0 peak 20202 ppm1 0.932 ppm2 8.798 volume 0.7579 assi ((( attr rmsd < 0.868) and (attr rmsd > 0.768)) and bondedto(attr rmsd < 65.603 and attr rmsd > 64.603)) ( attr rmsd < 8.875 and attr rmsd > 8.775) 6 6 0 peak 10203 ppm1 0.818 ppm2 8.825 volume 0.1852 assi ((( attr rmsd < 0.868) and (attr rmsd > 0.768)) and bondedto(attr rmsd < 18.083 and attr rmsd > 17.083)) ( attr rmsd < 8.875 and attr rmsd > 8.775) 6 6 0 peak 20203 ppm1 0.818 ppm2 8.825 volume 0.1852 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 65.566 and attr rmsd > 64.566)) ( attr rmsd < 8.655 and attr rmsd > 8.555) 6 6 0 peak 10204 ppm1 0.825 ppm2 8.605 volume 0.1451 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 18.046 and attr rmsd > 17.046)) ( attr rmsd < 8.655 and attr rmsd > 8.555) 6 6 0 peak 20204 ppm1 0.825 ppm2 8.605 volume 0.1451 assi ((( attr rmsd < 1.684) and (attr rmsd > 1.584)) and bondedto(attr rmsd < 41.843 and attr rmsd > 40.843)) ( attr rmsd < 7.719 and attr rmsd > 7.619) 6 6 0 peak 205 ppm1 1.634 ppm2 7.669 volume 0.2354 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 65.402 and attr rmsd > 64.402)) ( attr rmsd < 8.935 and attr rmsd > 8.835) 6 6 0 peak 10206 ppm1 0.540 ppm2 8.885 volume 0.4935 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 17.882 and attr rmsd > 16.882)) ( attr rmsd < 8.935 and attr rmsd > 8.835) 6 6 0 peak 20206 ppm1 0.540 ppm2 8.885 volume 0.4935 assi ((( attr rmsd < 0.586) and (attr rmsd > 0.486)) and bondedto(attr rmsd < 65.373 and attr rmsd > 64.373)) ( attr rmsd < 6.602 and attr rmsd > 6.502) 6 6 0 peak 10207 ppm1 0.536 ppm2 6.552 volume 0.2409 assi ((( attr rmsd < 0.586) and (attr rmsd > 0.486)) and bondedto(attr rmsd < 17.853 and attr rmsd > 16.853)) ( attr rmsd < 6.602 and attr rmsd > 6.502) 6 6 0 peak 20207 ppm1 0.536 ppm2 6.552 volume 0.2409 assi ((( attr rmsd < 3.564) and (attr rmsd > 3.464)) and bondedto(attr rmsd < 65.219 and attr rmsd > 64.219)) ( attr rmsd < 8.965 and attr rmsd > 8.865) 6 6 0 peak 10208 ppm1 3.514 ppm2 8.915 volume 0.2987 assi ((( attr rmsd < 3.564) and (attr rmsd > 3.464)) and bondedto(attr rmsd < 17.699 and attr rmsd > 16.699)) ( attr rmsd < 8.965 and attr rmsd > 8.865) 6 6 0 peak 20208 ppm1 3.514 ppm2 8.915 volume 0.2987 assi ((( attr rmsd < 3.562) and (attr rmsd > 3.462)) and bondedto(attr rmsd < 65.179 and attr rmsd > 64.179)) ( attr rmsd < 6.911 and attr rmsd > 6.811) 6 6 0 peak 10209 ppm1 3.512 ppm2 6.861 volume 0.1604 assi ((( attr rmsd < 3.562) and (attr rmsd > 3.462)) and bondedto(attr rmsd < 17.659 and attr rmsd > 16.659)) ( attr rmsd < 6.911 and attr rmsd > 6.811) 6 6 0 peak 20209 ppm1 3.512 ppm2 6.861 volume 0.1604 assi ((( attr rmsd < 0.994) and (attr rmsd > 0.894)) and bondedto(attr rmsd < 65.066 and attr rmsd > 64.066)) ( attr rmsd < 8.109 and attr rmsd > 8.009) 6 6 0 peak 10210 ppm1 0.944 ppm2 8.059 volume 0.1524 assi ((( attr rmsd < 0.994) and (attr rmsd > 0.894)) and bondedto(attr rmsd < 17.546 and attr rmsd > 16.546)) ( attr rmsd < 8.109 and attr rmsd > 8.009) 6 6 0 peak 20210 ppm1 0.944 ppm2 8.059 volume 0.1524 assi ((( attr rmsd < 0.995) and (attr rmsd > 0.895)) and bondedto(attr rmsd < 65.061 and attr rmsd > 64.061)) ( attr rmsd < 7.715 and attr rmsd > 7.615) 6 6 0 peak 10211 ppm1 0.945 ppm2 7.665 volume 0.1589 assi ((( attr rmsd < 0.995) and (attr rmsd > 0.895)) and bondedto(attr rmsd < 17.541 and attr rmsd > 16.541)) ( attr rmsd < 7.715 and attr rmsd > 7.615) 6 6 0 peak 20211 ppm1 0.945 ppm2 7.665 volume 0.1589 assi ((( attr rmsd < 0.997) and (attr rmsd > 0.897)) and bondedto(attr rmsd < 65.043 and attr rmsd > 64.043)) ( attr rmsd < 7.314 and attr rmsd > 7.214) 6 6 0 peak 10212 ppm1 0.947 ppm2 7.264 volume 0.5822 assi ((( attr rmsd < 0.997) and (attr rmsd > 0.897)) and bondedto(attr rmsd < 17.523 and attr rmsd > 16.523)) ( attr rmsd < 7.314 and attr rmsd > 7.214) 6 6 0 peak 20212 ppm1 0.947 ppm2 7.264 volume 0.5822 assi ((( attr rmsd < 3.115) and (attr rmsd > 3.015)) and bondedto(attr rmsd < 41.251 and attr rmsd > 40.251)) ( attr rmsd < 8.890 and attr rmsd > 8.790) 6 6 0 peak 213 ppm1 3.065 ppm2 8.840 volume 0.2489 assi ((( attr rmsd < 3.119) and (attr rmsd > 3.019)) ( attr rmsd < 7.215 and attr rmsd > 7.115) 6 6 0 peak 214 ppm1 3.069 ppm2 7.165 volume 0.2703 assi ((( attr rmsd < 3.119) and (attr rmsd > 3.019)) and bondedto(attr rmsd < 41.193 and attr rmsd > 40.193)) ( attr rmsd < 7.215 and attr rmsd > 7.115) 6 6 0 peak 214 ppm1 3.069 ppm2 7.165 volume 0.2703 assi ((( attr rmsd < 3.001) and (attr rmsd > 2.901)) and bondedto(attr rmsd < 41.223 and attr rmsd > 40.223)) ( attr rmsd < 8.887 and attr rmsd > 8.787) 6 6 0 peak 215 ppm1 2.951 ppm2 8.837 volume 0.2377 assi ((( attr rmsd < 2.997) and (attr rmsd > 2.897)) ( attr rmsd < 7.217 and attr rmsd > 7.117) 6 6 0 peak 216 ppm1 2.947 ppm2 7.167 volume 0.2580 assi ((( attr rmsd < 2.997) and (attr rmsd > 2.897)) and bondedto(attr rmsd < 41.219 and attr rmsd > 40.219)) ( attr rmsd < 7.217 and attr rmsd > 7.117) 6 6 0 peak 216 ppm1 2.947 ppm2 7.167 volume 0.2580 assi ((( attr rmsd < 3.930) and (attr rmsd > 3.830)) and bondedto(attr rmsd < 64.589 and attr rmsd > 63.589)) ( attr rmsd < 8.861 and attr rmsd > 8.761) 6 6 0 peak 10217 ppm1 3.880 ppm2 8.811 volume 0.2474 assi ((( attr rmsd < 3.930) and (attr rmsd > 3.830)) and bondedto(attr rmsd < 17.069 and attr rmsd > 16.069)) ( attr rmsd < 8.861 and attr rmsd > 8.761) 6 6 0 peak 20217 ppm1 3.880 ppm2 8.811 volume 0.2474 assi ((( attr rmsd < 1.814) and (attr rmsd > 1.714)) and bondedto(attr rmsd < 40.813 and attr rmsd > 39.813)) ( attr rmsd < 8.253 and attr rmsd > 8.153) 6 6 0 peak 218 ppm1 1.764 ppm2 8.203 volume 0.3315 assi ((( attr rmsd < 1.681) and (attr rmsd > 1.581)) and bondedto(attr rmsd < 40.789 and attr rmsd > 39.789)) ( attr rmsd < 8.252 and attr rmsd > 8.152) 6 6 0 peak 219 ppm1 1.631 ppm2 8.202 volume 0.2939 assi ((( attr rmsd < 4.381) and (attr rmsd > 4.281)) and bondedto(attr rmsd < 64.432 and attr rmsd > 63.432)) ( attr rmsd < 8.865 and attr rmsd > 8.765) 6 6 0 peak 10220 ppm1 4.331 ppm2 8.815 volume 0.1676 assi ((( attr rmsd < 4.381) and (attr rmsd > 4.281)) and bondedto(attr rmsd < 16.912 and attr rmsd > 15.912)) ( attr rmsd < 8.865 and attr rmsd > 8.765) 6 6 0 peak 20220 ppm1 4.331 ppm2 8.815 volume 0.1676 assi ((( attr rmsd < 3.087) and (attr rmsd > 2.987)) and bondedto(attr rmsd < 40.638 and attr rmsd > 39.638)) ( attr rmsd < 7.913 and attr rmsd > 7.813) 6 6 0 peak 221 ppm1 3.037 ppm2 7.863 volume 0.2211 assi ((( attr rmsd < 1.813) and (attr rmsd > 1.713)) and bondedto(attr rmsd < 40.784 and attr rmsd > 39.784)) ( attr rmsd < 7.598 and attr rmsd > 7.498) 6 6 0 peak 222 ppm1 1.763 ppm2 7.548 volume 0.1776 assi ((( attr rmsd < 1.752) and (attr rmsd > 1.652)) and bondedto(attr rmsd < 40.673 and attr rmsd > 39.673)) ( attr rmsd < 8.941 and attr rmsd > 8.841) 6 6 0 peak 223 ppm1 1.702 ppm2 8.891 volume 0.3178 assi ((( attr rmsd < 2.584) and (attr rmsd > 2.484)) and bondedto(attr rmsd < 40.587 and attr rmsd > 39.587)) ( attr rmsd < 7.913 and attr rmsd > 7.813) 6 6 0 peak 224 ppm1 2.534 ppm2 7.863 volume 0.3348 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 63.055 and attr rmsd > 62.055)) ( attr rmsd < 7.654 and attr rmsd > 7.554) 6 6 0 peak 10225 ppm1 4.710 ppm2 7.604 volume 0.2164 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 15.535 and attr rmsd > 14.535)) ( attr rmsd < 7.654 and attr rmsd > 7.554) 6 6 0 peak 20225 ppm1 4.710 ppm2 7.604 volume 0.2164 assi ((( attr rmsd < 4.697) and (attr rmsd > 4.597)) and bondedto(attr rmsd < 63.060 and attr rmsd > 62.060)) ( attr rmsd < 7.650 and attr rmsd > 7.550) 6 6 0 peak 10226 ppm1 4.647 ppm2 7.600 volume 0.1526 assi ((( attr rmsd < 4.697) and (attr rmsd > 4.597)) and bondedto(attr rmsd < 15.540 and attr rmsd > 14.540)) ( attr rmsd < 7.650 and attr rmsd > 7.550) 6 6 0 peak 20226 ppm1 4.647 ppm2 7.600 volume 0.1526 assi ((( attr rmsd < 5.073) and (attr rmsd > 4.973)) and bondedto(attr rmsd < 62.866 and attr rmsd > 61.866)) ( attr rmsd < 8.424 and attr rmsd > 8.324) 6 6 0 peak 10227 ppm1 5.023 ppm2 8.374 volume 0.1458 assi ((( attr rmsd < 5.073) and (attr rmsd > 4.973)) and bondedto(attr rmsd < 15.346 and attr rmsd > 14.346)) ( attr rmsd < 8.424 and attr rmsd > 8.324) 6 6 0 peak 20227 ppm1 5.023 ppm2 8.374 volume 0.1458 assi ((( attr rmsd < 4.988) and (attr rmsd > 4.888)) and bondedto(attr rmsd < 62.903 and attr rmsd > 61.903)) ( attr rmsd < 8.418 and attr rmsd > 8.318) 6 6 0 peak 10228 ppm1 4.938 ppm2 8.368 volume 0.1890 assi ((( attr rmsd < 4.988) and (attr rmsd > 4.888)) and bondedto(attr rmsd < 15.383 and attr rmsd > 14.383)) ( attr rmsd < 8.418 and attr rmsd > 8.318) 6 6 0 peak 20228 ppm1 4.938 ppm2 8.368 volume 0.1890 assi ((( attr rmsd < 4.961) and (attr rmsd > 4.861)) and bondedto(attr rmsd < 62.905 and attr rmsd > 61.905)) ( attr rmsd < 8.420 and attr rmsd > 8.320) 6 6 0 peak 10229 ppm1 4.911 ppm2 8.370 volume 0.2111 assi ((( attr rmsd < 4.961) and (attr rmsd > 4.861)) and bondedto(attr rmsd < 15.385 and attr rmsd > 14.385)) ( attr rmsd < 8.420 and attr rmsd > 8.320) 6 6 0 peak 20229 ppm1 4.911 ppm2 8.370 volume 0.2111 assi ((( attr rmsd < 4.921) and (attr rmsd > 4.821)) and bondedto(attr rmsd < 62.923 and attr rmsd > 61.923)) ( attr rmsd < 8.419 and attr rmsd > 8.319) 6 6 0 peak 10230 ppm1 4.871 ppm2 8.369 volume 0.2324 assi ((( attr rmsd < 4.921) and (attr rmsd > 4.821)) and bondedto(attr rmsd < 15.403 and attr rmsd > 14.403)) ( attr rmsd < 8.419 and attr rmsd > 8.319) 6 6 0 peak 20230 ppm1 4.871 ppm2 8.369 volume 0.2324 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 63.008 and attr rmsd > 62.008)) ( attr rmsd < 7.667 and attr rmsd > 7.567) 6 6 0 peak 10231 ppm1 4.838 ppm2 7.617 volume 0.2625 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 15.488 and attr rmsd > 14.488)) ( attr rmsd < 7.667 and attr rmsd > 7.567) 6 6 0 peak 20231 ppm1 4.838 ppm2 7.617 volume 0.2625 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) ( attr rmsd < 6.984 and attr rmsd > 6.884) 6 6 0 peak 232 ppm1 4.833 ppm2 6.934 volume 0.1825 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 63.047 and attr rmsd > 62.047)) ( attr rmsd < 6.984 and attr rmsd > 6.884) 6 6 0 peak 10232 ppm1 4.833 ppm2 6.934 volume 0.1825 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 15.527 and attr rmsd > 14.527)) ( attr rmsd < 6.984 and attr rmsd > 6.884) 6 6 0 peak 20232 ppm1 4.833 ppm2 6.934 volume 0.1825 assi ((( attr rmsd < 4.813) and (attr rmsd > 4.713)) and bondedto(attr rmsd < 63.041 and attr rmsd > 62.041)) ( attr rmsd < 7.668 and attr rmsd > 7.568) 6 6 0 peak 10233 ppm1 4.763 ppm2 7.618 volume 0.2048 assi ((( attr rmsd < 4.813) and (attr rmsd > 4.713)) and bondedto(attr rmsd < 15.521 and attr rmsd > 14.521)) ( attr rmsd < 7.668 and attr rmsd > 7.568) 6 6 0 peak 20233 ppm1 4.763 ppm2 7.618 volume 0.2048 assi ((( attr rmsd < 4.746) and (attr rmsd > 4.646)) ( attr rmsd < 6.988 and attr rmsd > 6.888) 6 6 0 peak 234 ppm1 4.696 ppm2 6.938 volume 0.2050 assi ((( attr rmsd < 4.746) and (attr rmsd > 4.646)) and bondedto(attr rmsd < 63.045 and attr rmsd > 62.045)) ( attr rmsd < 6.988 and attr rmsd > 6.888) 6 6 0 peak 10234 ppm1 4.696 ppm2 6.938 volume 0.2050 assi ((( attr rmsd < 4.746) and (attr rmsd > 4.646)) and bondedto(attr rmsd < 15.525 and attr rmsd > 14.525)) ( attr rmsd < 6.988 and attr rmsd > 6.888) 6 6 0 peak 20234 ppm1 4.696 ppm2 6.938 volume 0.2050 assi ((( attr rmsd < 4.670) and (attr rmsd > 4.570)) and bondedto(attr rmsd < 62.918 and attr rmsd > 61.918)) ( attr rmsd < 8.416 and attr rmsd > 8.316) 6 6 0 peak 10235 ppm1 4.620 ppm2 8.366 volume 1.4128 assi ((( attr rmsd < 4.670) and (attr rmsd > 4.570)) and bondedto(attr rmsd < 15.398 and attr rmsd > 14.398)) ( attr rmsd < 8.416 and attr rmsd > 8.316) 6 6 0 peak 20235 ppm1 4.620 ppm2 8.366 volume 1.4128 assi ((( attr rmsd < 4.744) and (attr rmsd > 4.644)) and bondedto(attr rmsd < 39.167 and attr rmsd > 38.167)) ( attr rmsd < 8.419 and attr rmsd > 8.319) 6 6 0 peak 236 ppm1 4.694 ppm2 8.369 volume 0.5195 assi ((( attr rmsd < 4.536) and (attr rmsd > 4.436)) and bondedto(attr rmsd < 39.134 and attr rmsd > 38.134)) ( attr rmsd < 8.423 and attr rmsd > 8.323) 6 6 0 peak 237 ppm1 4.486 ppm2 8.373 volume 0.1468 assi ((( attr rmsd < 4.498) and (attr rmsd > 4.398)) and bondedto(attr rmsd < 39.156 and attr rmsd > 38.156)) ( attr rmsd < 8.426 and attr rmsd > 8.326) 6 6 0 peak 238 ppm1 4.448 ppm2 8.376 volume 0.1452 assi ((( attr rmsd < 4.032) and (attr rmsd > 3.932)) and bondedto(attr rmsd < 62.800 and attr rmsd > 61.800)) ( attr rmsd < 8.312 and attr rmsd > 8.212) 6 6 0 peak 10239 ppm1 3.982 ppm2 8.262 volume 0.1949 assi ((( attr rmsd < 4.032) and (attr rmsd > 3.932)) and bondedto(attr rmsd < 15.280 and attr rmsd > 14.280)) ( attr rmsd < 8.312 and attr rmsd > 8.212) 6 6 0 peak 20239 ppm1 3.982 ppm2 8.262 volume 0.1949 assi ((( attr rmsd < 4.026) and (attr rmsd > 3.926)) and bondedto(attr rmsd < 62.760 and attr rmsd > 61.760)) ( attr rmsd < 8.473 and attr rmsd > 8.373) 6 6 0 peak 10240 ppm1 3.976 ppm2 8.423 volume 0.2085 assi ((( attr rmsd < 4.026) and (attr rmsd > 3.926)) and bondedto(attr rmsd < 15.240 and attr rmsd > 14.240)) ( attr rmsd < 8.473 and attr rmsd > 8.373) 6 6 0 peak 20240 ppm1 3.976 ppm2 8.423 volume 0.2085 assi ((( attr rmsd < 1.918) and (attr rmsd > 1.818)) and bondedto(attr rmsd < 38.933 and attr rmsd > 37.933)) ( attr rmsd < 8.273 and attr rmsd > 8.173) 6 6 0 peak 241 ppm1 1.868 ppm2 8.223 volume 0.2531 assi ((( attr rmsd < 1.801) and (attr rmsd > 1.701)) and bondedto(attr rmsd < 39.071 and attr rmsd > 38.071)) ( attr rmsd < 8.857 and attr rmsd > 8.757) 6 6 0 peak 242 ppm1 1.751 ppm2 8.807 volume 0.7330 assi ((( attr rmsd < 1.785) and (attr rmsd > 1.685)) and bondedto(attr rmsd < 39.044 and attr rmsd > 38.044)) ( attr rmsd < 9.045 and attr rmsd > 8.945) 6 6 0 peak 243 ppm1 1.735 ppm2 8.995 volume 0.3323 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 62.644 and attr rmsd > 61.644)) ( attr rmsd < 8.938 and attr rmsd > 8.838) 6 6 0 peak 10244 ppm1 0.769 ppm2 8.888 volume 0.2520 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 15.124 and attr rmsd > 14.124)) ( attr rmsd < 8.938 and attr rmsd > 8.838) 6 6 0 peak 20244 ppm1 0.769 ppm2 8.888 volume 0.2520 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 62.605 and attr rmsd > 61.605)) ( attr rmsd < 8.861 and attr rmsd > 8.761) 6 6 0 peak 10245 ppm1 0.682 ppm2 8.811 volume 0.2131 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 15.085 and attr rmsd > 14.085)) ( attr rmsd < 8.861 and attr rmsd > 8.761) 6 6 0 peak 20245 ppm1 0.682 ppm2 8.811 volume 0.2131 assi ((( attr rmsd < 0.736) and (attr rmsd > 0.636)) and bondedto(attr rmsd < 62.619 and attr rmsd > 61.619)) ( attr rmsd < 8.104 and attr rmsd > 8.004) 6 6 0 peak 10246 ppm1 0.686 ppm2 8.054 volume 0.1702 assi ((( attr rmsd < 0.736) and (attr rmsd > 0.636)) and bondedto(attr rmsd < 15.099 and attr rmsd > 14.099)) ( attr rmsd < 8.104 and attr rmsd > 8.004) 6 6 0 peak 20246 ppm1 0.686 ppm2 8.054 volume 0.1702 assi ((( attr rmsd < 0.737) and (attr rmsd > 0.637)) and bondedto(attr rmsd < 62.599 and attr rmsd > 61.599)) ( attr rmsd < 7.312 and attr rmsd > 7.212) 6 6 0 peak 10247 ppm1 0.687 ppm2 7.262 volume 0.2524 assi ((( attr rmsd < 0.737) and (attr rmsd > 0.637)) and bondedto(attr rmsd < 15.079 and attr rmsd > 14.079)) ( attr rmsd < 7.312 and attr rmsd > 7.212) 6 6 0 peak 20247 ppm1 0.687 ppm2 7.262 volume 0.2524 assi ((( attr rmsd < 1.681) and (attr rmsd > 1.581)) and bondedto(attr rmsd < 38.731 and attr rmsd > 37.731)) ( attr rmsd < 8.894 and attr rmsd > 8.794) 6 6 0 peak 248 ppm1 1.631 ppm2 8.844 volume 0.2890 assi ((( attr rmsd < 3.030) and (attr rmsd > 2.930)) and bondedto(attr rmsd < 38.657 and attr rmsd > 37.657)) ( attr rmsd < 8.962 and attr rmsd > 8.862) 6 6 0 peak 249 ppm1 2.980 ppm2 8.912 volume 0.1978 assi ((( attr rmsd < 4.395) and (attr rmsd > 4.295)) and bondedto(attr rmsd < 62.039 and attr rmsd > 61.039)) ( attr rmsd < 8.844 and attr rmsd > 8.744) 6 6 0 peak 10250 ppm1 4.345 ppm2 8.794 volume 0.7781 assi ((( attr rmsd < 4.395) and (attr rmsd > 4.295)) and bondedto(attr rmsd < 14.519 and attr rmsd > 13.519)) ( attr rmsd < 8.844 and attr rmsd > 8.744) 6 6 0 peak 20250 ppm1 4.345 ppm2 8.794 volume 0.7781 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 61.988 and attr rmsd > 60.988)) ( attr rmsd < 8.895 and attr rmsd > 8.795) 6 6 0 peak 10251 ppm1 0.648 ppm2 8.845 volume 0.2546 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 14.468 and attr rmsd > 13.468)) ( attr rmsd < 8.895 and attr rmsd > 8.795) 6 6 0 peak 20251 ppm1 0.648 ppm2 8.845 volume 0.2546 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 62.044 and attr rmsd > 61.044)) ( attr rmsd < 6.605 and attr rmsd > 6.505) 6 6 0 peak 10252 ppm1 0.645 ppm2 6.555 volume 0.3388 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 14.524 and attr rmsd > 13.524)) ( attr rmsd < 6.605 and attr rmsd > 6.505) 6 6 0 peak 20252 ppm1 0.645 ppm2 6.555 volume 0.3388 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 61.885 and attr rmsd > 60.885)) ( attr rmsd < 8.855 and attr rmsd > 8.755) 6 6 0 peak 10253 ppm1 0.867 ppm2 8.805 volume 0.4384 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 14.365 and attr rmsd > 13.365)) ( attr rmsd < 8.855 and attr rmsd > 8.755) 6 6 0 peak 20253 ppm1 0.867 ppm2 8.805 volume 0.4384 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 61.913 and attr rmsd > 60.913)) ( attr rmsd < 8.093 and attr rmsd > 7.993) 6 6 0 peak 10254 ppm1 0.864 ppm2 8.043 volume 0.1725 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 14.393 and attr rmsd > 13.393)) ( attr rmsd < 8.093 and attr rmsd > 7.993) 6 6 0 peak 20254 ppm1 0.864 ppm2 8.043 volume 0.1725 assi ((( attr rmsd < 4.188) and (attr rmsd > 4.088)) and bondedto(attr rmsd < 61.388 and attr rmsd > 60.388)) ( attr rmsd < 8.288 and attr rmsd > 8.188) 6 6 0 peak 10255 ppm1 4.138 ppm2 8.238 volume 0.4405 assi ((( attr rmsd < 4.188) and (attr rmsd > 4.088)) and bondedto(attr rmsd < 13.868 and attr rmsd > 12.868)) ( attr rmsd < 8.288 and attr rmsd > 8.188) 6 6 0 peak 20255 ppm1 4.138 ppm2 8.238 volume 0.4405 assi ((( attr rmsd < 0.712) and (attr rmsd > 0.612)) and bondedto(attr rmsd < 61.444 and attr rmsd > 60.444)) ( attr rmsd < 6.893 and attr rmsd > 6.793) 6 6 0 peak 10256 ppm1 0.662 ppm2 6.843 volume 0.2115 assi ((( attr rmsd < 0.712) and (attr rmsd > 0.612)) and bondedto(attr rmsd < 13.924 and attr rmsd > 12.924)) ( attr rmsd < 6.893 and attr rmsd > 6.793) 6 6 0 peak 20256 ppm1 0.662 ppm2 6.843 volume 0.2115 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 37.429 and attr rmsd > 36.429)) ( attr rmsd < 8.522 and attr rmsd > 8.422) 6 6 0 peak 257 ppm1 4.849 ppm2 8.472 volume 0.1987 assi ((( attr rmsd < 4.984) and (attr rmsd > 4.884)) and bondedto(attr rmsd < 61.178 and attr rmsd > 60.178)) ( attr rmsd < 8.517 and attr rmsd > 8.417) 6 6 0 peak 10258 ppm1 4.934 ppm2 8.467 volume 0.5451 assi ((( attr rmsd < 4.984) and (attr rmsd > 4.884)) and bondedto(attr rmsd < 13.658 and attr rmsd > 12.658)) ( attr rmsd < 8.517 and attr rmsd > 8.417) 6 6 0 peak 20258 ppm1 4.934 ppm2 8.467 volume 0.5451 assi ((( attr rmsd < 4.598) and (attr rmsd > 4.498)) and bondedto(attr rmsd < 61.034 and attr rmsd > 60.034)) ( attr rmsd < 8.524 and attr rmsd > 8.424) 6 6 0 peak 10259 ppm1 4.548 ppm2 8.474 volume 0.1604 assi ((( attr rmsd < 4.598) and (attr rmsd > 4.498)) and bondedto(attr rmsd < 13.514 and attr rmsd > 12.514)) ( attr rmsd < 8.524 and attr rmsd > 8.424) 6 6 0 peak 20259 ppm1 4.548 ppm2 8.474 volume 0.1604 assi ((( attr rmsd < 4.987) and (attr rmsd > 4.887)) and bondedto(attr rmsd < 60.942 and attr rmsd > 59.942)) ( attr rmsd < 8.857 and attr rmsd > 8.757) 6 6 0 peak 10260 ppm1 4.937 ppm2 8.807 volume 0.2436 assi ((( attr rmsd < 4.987) and (attr rmsd > 4.887)) and bondedto(attr rmsd < 13.422 and attr rmsd > 12.422)) ( attr rmsd < 8.857 and attr rmsd > 8.757) 6 6 0 peak 20260 ppm1 4.937 ppm2 8.807 volume 0.2436 assi ((( attr rmsd < 4.964) and (attr rmsd > 4.864)) and bondedto(attr rmsd < 60.924 and attr rmsd > 59.924)) ( attr rmsd < 8.854 and attr rmsd > 8.754) 6 6 0 peak 10261 ppm1 4.914 ppm2 8.804 volume 0.2517 assi ((( attr rmsd < 4.964) and (attr rmsd > 4.864)) and bondedto(attr rmsd < 13.404 and attr rmsd > 12.404)) ( attr rmsd < 8.854 and attr rmsd > 8.754) 6 6 0 peak 20261 ppm1 4.914 ppm2 8.804 volume 0.2517 assi ((( attr rmsd < 4.541) and (attr rmsd > 4.441)) and bondedto(attr rmsd < 60.846 and attr rmsd > 59.846)) ( attr rmsd < 8.858 and attr rmsd > 8.758) 6 6 0 peak 10262 ppm1 4.491 ppm2 8.808 volume 1.2209 assi ((( attr rmsd < 4.541) and (attr rmsd > 4.441)) and bondedto(attr rmsd < 13.326 and attr rmsd > 12.326)) ( attr rmsd < 8.858 and attr rmsd > 8.758) 6 6 0 peak 20262 ppm1 4.491 ppm2 8.808 volume 1.2209 assi ((( attr rmsd < 4.109) and (attr rmsd > 4.009)) and bondedto(attr rmsd < 60.833 and attr rmsd > 59.833)) ( attr rmsd < 7.738 and attr rmsd > 7.638) 6 6 0 peak 10263 ppm1 4.059 ppm2 7.688 volume 0.1784 assi ((( attr rmsd < 4.109) and (attr rmsd > 4.009)) and bondedto(attr rmsd < 13.313 and attr rmsd > 12.313)) ( attr rmsd < 7.738 and attr rmsd > 7.638) 6 6 0 peak 20263 ppm1 4.059 ppm2 7.688 volume 0.1784 assi ((( attr rmsd < 4.738) and (attr rmsd > 4.638)) and bondedto(attr rmsd < 37.066 and attr rmsd > 36.066)) ( attr rmsd < 8.860 and attr rmsd > 8.760) 6 6 0 peak 264 ppm1 4.688 ppm2 8.810 volume 0.2562 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 60.797 and attr rmsd > 59.797)) ( attr rmsd < 8.859 and attr rmsd > 8.759) 6 6 0 peak 10265 ppm1 4.868 ppm2 8.809 volume 0.2319 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 13.277 and attr rmsd > 12.277)) ( attr rmsd < 8.859 and attr rmsd > 8.759) 6 6 0 peak 20265 ppm1 4.868 ppm2 8.809 volume 0.2319 assi ((( attr rmsd < 4.685) and (attr rmsd > 4.585)) and bondedto(attr rmsd < 60.663 and attr rmsd > 59.663)) ( attr rmsd < 8.942 and attr rmsd > 8.842) 6 6 0 peak 10266 ppm1 4.635 ppm2 8.892 volume 0.5671 assi ((( attr rmsd < 4.685) and (attr rmsd > 4.585)) and bondedto(attr rmsd < 13.143 and attr rmsd > 12.143)) ( attr rmsd < 8.942 and attr rmsd > 8.842) 6 6 0 peak 20266 ppm1 4.635 ppm2 8.892 volume 0.5671 assi ((( attr rmsd < 4.112) and (attr rmsd > 4.012)) and bondedto(attr rmsd < 60.800 and attr rmsd > 59.800)) ( attr rmsd < 6.906 and attr rmsd > 6.806) 6 6 0 peak 10267 ppm1 4.062 ppm2 6.856 volume 0.3901 assi ((( attr rmsd < 4.112) and (attr rmsd > 4.012)) and bondedto(attr rmsd < 13.280 and attr rmsd > 12.280)) ( attr rmsd < 6.906 and attr rmsd > 6.806) 6 6 0 peak 20267 ppm1 4.062 ppm2 6.856 volume 0.3901 assi ((( attr rmsd < 4.093) and (attr rmsd > 3.993)) and bondedto(attr rmsd < 60.704 and attr rmsd > 59.704)) ( attr rmsd < 8.987 and attr rmsd > 8.887) 6 6 0 peak 10268 ppm1 4.043 ppm2 8.937 volume 0.1546 assi ((( attr rmsd < 4.093) and (attr rmsd > 3.993)) and bondedto(attr rmsd < 13.184 and attr rmsd > 12.184)) ( attr rmsd < 8.987 and attr rmsd > 8.887) 6 6 0 peak 20268 ppm1 4.043 ppm2 8.937 volume 0.1546 assi ((( attr rmsd < 4.088) and (attr rmsd > 3.988)) and bondedto(attr rmsd < 60.724 and attr rmsd > 59.724)) ( attr rmsd < 8.734 and attr rmsd > 8.634) 6 6 0 peak 10269 ppm1 4.038 ppm2 8.684 volume 0.1703 assi ((( attr rmsd < 4.088) and (attr rmsd > 3.988)) and bondedto(attr rmsd < 13.204 and attr rmsd > 12.204)) ( attr rmsd < 8.734 and attr rmsd > 8.634) 6 6 0 peak 20269 ppm1 4.038 ppm2 8.684 volume 0.1703 assi ((( attr rmsd < 4.749) and (attr rmsd > 4.649)) and bondedto(attr rmsd < 36.872 and attr rmsd > 35.872)) ( attr rmsd < 8.930 and attr rmsd > 8.830) 6 6 0 peak 270 ppm1 4.699 ppm2 8.880 volume 0.2726 assi ((( attr rmsd < 2.520) and (attr rmsd > 2.420)) and bondedto(attr rmsd < 36.947 and attr rmsd > 35.947)) ( attr rmsd < 8.471 and attr rmsd > 8.371) 6 6 0 peak 271 ppm1 2.470 ppm2 8.421 volume 0.2108 assi ((( attr rmsd < 2.398) and (attr rmsd > 2.298)) and bondedto(attr rmsd < 36.971 and attr rmsd > 35.971)) ( attr rmsd < 8.470 and attr rmsd > 8.370) 6 6 0 peak 272 ppm1 2.348 ppm2 8.420 volume 0.2288 assi ((( attr rmsd < 2.330) and (attr rmsd > 2.230)) and bondedto(attr rmsd < 36.871 and attr rmsd > 35.871)) ( attr rmsd < 8.130 and attr rmsd > 8.030) 6 6 0 peak 273 ppm1 2.280 ppm2 8.080 volume 0.2234 assi ((( attr rmsd < 2.497) and (attr rmsd > 2.397)) and bondedto(attr rmsd < 36.843 and attr rmsd > 35.843)) ( attr rmsd < 8.129 and attr rmsd > 8.029) 6 6 0 peak 274 ppm1 2.447 ppm2 8.079 volume 0.2825 assi ((( attr rmsd < 2.071) and (attr rmsd > 1.971)) and bondedto(attr rmsd < 36.737 and attr rmsd > 35.737)) ( attr rmsd < 9.113 and attr rmsd > 9.013) 6 6 0 peak 275 ppm1 2.021 ppm2 9.063 volume 0.2056 assi ((( attr rmsd < 2.072) and (attr rmsd > 1.972)) and bondedto(attr rmsd < 36.672 and attr rmsd > 35.672)) ( attr rmsd < 8.865 and attr rmsd > 8.765) 6 6 0 peak 276 ppm1 2.022 ppm2 8.815 volume 0.1744 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 60.428 and attr rmsd > 59.428)) ( attr rmsd < 7.716 and attr rmsd > 7.616) 6 6 0 peak 10277 ppm1 4.614 ppm2 7.666 volume 0.1575 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 12.908 and attr rmsd > 11.908)) ( attr rmsd < 7.716 and attr rmsd > 7.616) 6 6 0 peak 20277 ppm1 4.614 ppm2 7.666 volume 0.1575 assi ((( attr rmsd < 4.665) and (attr rmsd > 4.565)) and bondedto(attr rmsd < 60.405 and attr rmsd > 59.405)) ( attr rmsd < 7.315 and attr rmsd > 7.215) 6 6 0 peak 10278 ppm1 4.615 ppm2 7.265 volume 0.2541 assi ((( attr rmsd < 4.665) and (attr rmsd > 4.565)) and bondedto(attr rmsd < 12.885 and attr rmsd > 11.885)) ( attr rmsd < 7.315 and attr rmsd > 7.215) 6 6 0 peak 20278 ppm1 4.615 ppm2 7.265 volume 0.2541 assi ((( attr rmsd < 4.728) and (attr rmsd > 4.628)) and bondedto(attr rmsd < 60.181 and attr rmsd > 59.181)) ( attr rmsd < 9.529 and attr rmsd > 9.429) 6 6 0 peak 10279 ppm1 4.678 ppm2 9.479 volume 0.3584 assi ((( attr rmsd < 4.728) and (attr rmsd > 4.628)) and bondedto(attr rmsd < 12.661 and attr rmsd > 11.661)) ( attr rmsd < 9.529 and attr rmsd > 9.429) 6 6 0 peak 20279 ppm1 4.678 ppm2 9.479 volume 0.3584 assi ((( attr rmsd < 4.729) and (attr rmsd > 4.629)) and bondedto(attr rmsd < 60.072 and attr rmsd > 59.072)) ( attr rmsd < 9.241 and attr rmsd > 9.141) 6 6 0 peak 10280 ppm1 4.679 ppm2 9.191 volume 0.2263 assi ((( attr rmsd < 4.729) and (attr rmsd > 4.629)) and bondedto(attr rmsd < 12.552 and attr rmsd > 11.552)) ( attr rmsd < 9.241 and attr rmsd > 9.141) 6 6 0 peak 20280 ppm1 4.679 ppm2 9.191 volume 0.2263 assi ((( attr rmsd < 4.619) and (attr rmsd > 4.519)) and bondedto(attr rmsd < 60.074 and attr rmsd > 59.074)) ( attr rmsd < 8.655 and attr rmsd > 8.555) 6 6 0 peak 10281 ppm1 4.569 ppm2 8.605 volume 0.8630 assi ((( attr rmsd < 4.619) and (attr rmsd > 4.519)) and bondedto(attr rmsd < 12.554 and attr rmsd > 11.554)) ( attr rmsd < 8.655 and attr rmsd > 8.555) 6 6 0 peak 20281 ppm1 4.569 ppm2 8.605 volume 0.8630 assi ((( attr rmsd < 4.509) and (attr rmsd > 4.409)) and bondedto(attr rmsd < 60.091 and attr rmsd > 59.091)) ( attr rmsd < 8.512 and attr rmsd > 8.412) 6 6 0 peak 10282 ppm1 4.459 ppm2 8.462 volume 0.1891 assi ((( attr rmsd < 4.509) and (attr rmsd > 4.409)) and bondedto(attr rmsd < 12.571 and attr rmsd > 11.571)) ( attr rmsd < 8.512 and attr rmsd > 8.412) 6 6 0 peak 20282 ppm1 4.459 ppm2 8.462 volume 0.1891 assi ((( attr rmsd < 4.503) and (attr rmsd > 4.403)) and bondedto(attr rmsd < 60.069 and attr rmsd > 59.069)) ( attr rmsd < 8.181 and attr rmsd > 8.081) 6 6 0 peak 10283 ppm1 4.453 ppm2 8.131 volume 0.2076 assi ((( attr rmsd < 4.503) and (attr rmsd > 4.403)) and bondedto(attr rmsd < 12.549 and attr rmsd > 11.549)) ( attr rmsd < 8.181 and attr rmsd > 8.081) 6 6 0 peak 20283 ppm1 4.453 ppm2 8.131 volume 0.2076 assi ((( attr rmsd < 4.508) and (attr rmsd > 4.408)) and bondedto(attr rmsd < 60.077 and attr rmsd > 59.077)) ( attr rmsd < 8.079 and attr rmsd > 7.979) 6 6 0 peak 10284 ppm1 4.458 ppm2 8.029 volume 0.6149 assi ((( attr rmsd < 4.508) and (attr rmsd > 4.408)) and bondedto(attr rmsd < 12.557 and attr rmsd > 11.557)) ( attr rmsd < 8.079 and attr rmsd > 7.979) 6 6 0 peak 20284 ppm1 4.458 ppm2 8.029 volume 0.6149 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 36.354 and attr rmsd > 35.354)) ( attr rmsd < 9.237 and attr rmsd > 9.137) 6 6 0 peak 285 ppm1 4.855 ppm2 9.187 volume 0.2471 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 36.332 and attr rmsd > 35.332)) ( attr rmsd < 8.657 and attr rmsd > 8.557) 6 6 0 peak 286 ppm1 4.690 ppm2 8.607 volume 0.1929 assi ((( attr rmsd < 5.033) and (attr rmsd > 4.933)) and bondedto(attr rmsd < 60.003 and attr rmsd > 59.003)) ( attr rmsd < 9.241 and attr rmsd > 9.141) 6 6 0 peak 10287 ppm1 4.983 ppm2 9.191 volume 0.7011 assi ((( attr rmsd < 5.033) and (attr rmsd > 4.933)) and bondedto(attr rmsd < 12.483 and attr rmsd > 11.483)) ( attr rmsd < 9.241 and attr rmsd > 9.141) 6 6 0 peak 20287 ppm1 4.983 ppm2 9.191 volume 0.7011 assi ((( attr rmsd < 3.977) and (attr rmsd > 3.877)) and bondedto(attr rmsd < 59.924 and attr rmsd > 58.924)) ( attr rmsd < 8.263 and attr rmsd > 8.163) 6 6 0 peak 10288 ppm1 3.927 ppm2 8.213 volume 0.1757 assi ((( attr rmsd < 3.977) and (attr rmsd > 3.877)) and bondedto(attr rmsd < 12.404 and attr rmsd > 11.404)) ( attr rmsd < 8.263 and attr rmsd > 8.163) 6 6 0 peak 20288 ppm1 3.927 ppm2 8.213 volume 0.1757 assi ((( attr rmsd < 3.972) and (attr rmsd > 3.872)) and bondedto(attr rmsd < 59.937 and attr rmsd > 58.937)) ( attr rmsd < 7.839 and attr rmsd > 7.739) 6 6 0 peak 10289 ppm1 3.922 ppm2 7.789 volume 0.5217 assi ((( attr rmsd < 3.972) and (attr rmsd > 3.872)) and bondedto(attr rmsd < 12.417 and attr rmsd > 11.417)) ( attr rmsd < 7.839 and attr rmsd > 7.739) 6 6 0 peak 20289 ppm1 3.922 ppm2 7.789 volume 0.5217 assi ((( attr rmsd < 3.975) and (attr rmsd > 3.875)) and bondedto(attr rmsd < 59.954 and attr rmsd > 58.954)) ( attr rmsd < 7.554 and attr rmsd > 7.454) 6 6 0 peak 10290 ppm1 3.925 ppm2 7.504 volume 0.1676 assi ((( attr rmsd < 3.975) and (attr rmsd > 3.875)) and bondedto(attr rmsd < 12.434 and attr rmsd > 11.434)) ( attr rmsd < 7.554 and attr rmsd > 7.454) 6 6 0 peak 20290 ppm1 3.925 ppm2 7.504 volume 0.1676 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 36.171 and attr rmsd > 35.171)) ( attr rmsd < 9.443 and attr rmsd > 9.343) 6 6 0 peak 291 ppm1 1.777 ppm2 9.393 volume 0.2895 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 36.165 and attr rmsd > 35.165)) ( attr rmsd < 8.461 and attr rmsd > 8.361) 6 6 0 peak 292 ppm1 1.777 ppm2 8.411 volume 0.6077 assi ((( attr rmsd < 4.090) and (attr rmsd > 3.990)) and bondedto(attr rmsd < 59.849 and attr rmsd > 58.849)) ( attr rmsd < 8.294 and attr rmsd > 8.194) 6 6 0 peak 10293 ppm1 4.040 ppm2 8.244 volume 0.1641 assi ((( attr rmsd < 4.090) and (attr rmsd > 3.990)) and bondedto(attr rmsd < 12.329 and attr rmsd > 11.329)) ( attr rmsd < 8.294 and attr rmsd > 8.194) 6 6 0 peak 20293 ppm1 4.040 ppm2 8.244 volume 0.1641 assi ((( attr rmsd < 4.086) and (attr rmsd > 3.986)) and bondedto(attr rmsd < 59.796 and attr rmsd > 58.796)) ( attr rmsd < 7.542 and attr rmsd > 7.442) 6 6 0 peak 10294 ppm1 4.036 ppm2 7.492 volume 0.4605 assi ((( attr rmsd < 4.086) and (attr rmsd > 3.986)) and bondedto(attr rmsd < 12.276 and attr rmsd > 11.276)) ( attr rmsd < 7.542 and attr rmsd > 7.442) 6 6 0 peak 20294 ppm1 4.036 ppm2 7.492 volume 0.4605 assi ((( attr rmsd < 1.969) and (attr rmsd > 1.869)) and bondedto(attr rmsd < 36.082 and attr rmsd > 35.082)) ( attr rmsd < 9.527 and attr rmsd > 9.427) 6 6 0 peak 295 ppm1 1.919 ppm2 9.477 volume 0.1612 assi ((( attr rmsd < 4.107) and (attr rmsd > 4.007)) and bondedto(attr rmsd < 59.334 and attr rmsd > 58.334)) ( attr rmsd < 8.127 and attr rmsd > 8.027) 6 6 0 peak 10296 ppm1 4.057 ppm2 8.077 volume 0.6337 assi ((( attr rmsd < 4.107) and (attr rmsd > 4.007)) and bondedto(attr rmsd < 11.814 and attr rmsd > 10.814)) ( attr rmsd < 8.127 and attr rmsd > 8.027) 6 6 0 peak 20296 ppm1 4.057 ppm2 8.077 volume 0.6337 assi ((( attr rmsd < 2.539) and (attr rmsd > 2.439)) and bondedto(attr rmsd < 35.551 and attr rmsd > 34.551)) ( attr rmsd < 8.215 and attr rmsd > 8.115) 6 6 0 peak 297 ppm1 2.489 ppm2 8.165 volume 0.1979 assi ((( attr rmsd < 2.364) and (attr rmsd > 2.264)) and bondedto(attr rmsd < 35.529 and attr rmsd > 34.529)) ( attr rmsd < 8.216 and attr rmsd > 8.116) 6 6 0 peak 298 ppm1 2.314 ppm2 8.166 volume 0.2327 assi ((( attr rmsd < 1.925) and (attr rmsd > 1.825)) and bondedto(attr rmsd < 35.503 and attr rmsd > 34.503)) ( attr rmsd < 8.873 and attr rmsd > 8.773) 6 6 0 peak 299 ppm1 1.875 ppm2 8.823 volume 0.1880 assi ((( attr rmsd < 1.922) and (attr rmsd > 1.822)) and bondedto(attr rmsd < 35.496 and attr rmsd > 34.496)) ( attr rmsd < 8.391 and attr rmsd > 8.291) 6 6 0 peak 300 ppm1 1.872 ppm2 8.341 volume 0.2541 assi ((( attr rmsd < 1.787) and (attr rmsd > 1.687)) and bondedto(attr rmsd < 35.466 and attr rmsd > 34.466)) ( attr rmsd < 8.876 and attr rmsd > 8.776) 6 6 0 peak 301 ppm1 1.737 ppm2 8.826 volume 0.1882 assi ((( attr rmsd < 1.781) and (attr rmsd > 1.681)) and bondedto(attr rmsd < 35.519 and attr rmsd > 34.519)) ( attr rmsd < 8.395 and attr rmsd > 8.295) 6 6 0 peak 302 ppm1 1.731 ppm2 8.345 volume 0.2671 assi ((( attr rmsd < 4.256) and (attr rmsd > 4.156)) and bondedto(attr rmsd < 59.068 and attr rmsd > 58.068)) ( attr rmsd < 8.129 and attr rmsd > 8.029) 6 6 0 peak 10303 ppm1 4.206 ppm2 8.079 volume 0.2672 assi ((( attr rmsd < 4.256) and (attr rmsd > 4.156)) and bondedto(attr rmsd < 11.548 and attr rmsd > 10.548)) ( attr rmsd < 8.129 and attr rmsd > 8.029) 6 6 0 peak 20303 ppm1 4.206 ppm2 8.079 volume 0.2672 assi ((( attr rmsd < 4.260) and (attr rmsd > 4.160)) and bondedto(attr rmsd < 59.089 and attr rmsd > 58.089)) ( attr rmsd < 7.594 and attr rmsd > 7.494) 6 6 0 peak 10304 ppm1 4.210 ppm2 7.544 volume 0.5195 assi ((( attr rmsd < 4.260) and (attr rmsd > 4.160)) and bondedto(attr rmsd < 11.569 and attr rmsd > 10.569)) ( attr rmsd < 7.594 and attr rmsd > 7.494) 6 6 0 peak 20304 ppm1 4.210 ppm2 7.544 volume 0.5195 assi ((( attr rmsd < 4.218) and (attr rmsd > 4.118)) and bondedto(attr rmsd < 58.814 and attr rmsd > 57.814)) ( attr rmsd < 8.985 and attr rmsd > 8.885) 6 6 0 peak 10305 ppm1 4.168 ppm2 8.935 volume 0.1520 assi ((( attr rmsd < 4.218) and (attr rmsd > 4.118)) and bondedto(attr rmsd < 11.294 and attr rmsd > 10.294)) ( attr rmsd < 8.985 and attr rmsd > 8.885) 6 6 0 peak 20305 ppm1 4.168 ppm2 8.935 volume 0.1520 assi ((( attr rmsd < 4.219) and (attr rmsd > 4.119)) and bondedto(attr rmsd < 58.847 and attr rmsd > 57.847)) ( attr rmsd < 8.473 and attr rmsd > 8.373) 6 6 0 peak 10306 ppm1 4.169 ppm2 8.423 volume 0.3434 assi ((( attr rmsd < 4.219) and (attr rmsd > 4.119)) and bondedto(attr rmsd < 11.327 and attr rmsd > 10.327)) ( attr rmsd < 8.473 and attr rmsd > 8.373) 6 6 0 peak 20306 ppm1 4.169 ppm2 8.423 volume 0.3434 assi ((( attr rmsd < 4.187) and (attr rmsd > 4.087)) and bondedto(attr rmsd < 58.788 and attr rmsd > 57.788)) ( attr rmsd < 8.248 and attr rmsd > 8.148) 6 6 0 peak 10307 ppm1 4.137 ppm2 8.198 volume 0.5331 assi ((( attr rmsd < 4.187) and (attr rmsd > 4.087)) and bondedto(attr rmsd < 11.268 and attr rmsd > 10.268)) ( attr rmsd < 8.248 and attr rmsd > 8.148) 6 6 0 peak 20307 ppm1 4.137 ppm2 8.198 volume 0.5331 assi ((( attr rmsd < 4.189) and (attr rmsd > 4.089)) and bondedto(attr rmsd < 58.755 and attr rmsd > 57.755)) ( attr rmsd < 7.720 and attr rmsd > 7.620) 6 6 0 peak 10308 ppm1 4.139 ppm2 7.670 volume 0.2557 assi ((( attr rmsd < 4.189) and (attr rmsd > 4.089)) and bondedto(attr rmsd < 11.235 and attr rmsd > 10.235)) ( attr rmsd < 7.720 and attr rmsd > 7.620) 6 6 0 peak 20308 ppm1 4.139 ppm2 7.670 volume 0.2557 assi ((( attr rmsd < 4.183) and (attr rmsd > 4.083)) and bondedto(attr rmsd < 58.820 and attr rmsd > 57.820)) ( attr rmsd < 7.932 and attr rmsd > 7.832) 6 6 0 peak 10309 ppm1 4.133 ppm2 7.882 volume 0.1768 assi ((( attr rmsd < 4.183) and (attr rmsd > 4.083)) and bondedto(attr rmsd < 11.300 and attr rmsd > 10.300)) ( attr rmsd < 7.932 and attr rmsd > 7.832) 6 6 0 peak 20309 ppm1 4.133 ppm2 7.882 volume 0.1768 assi ((( attr rmsd < 4.198) and (attr rmsd > 4.098)) and bondedto(attr rmsd < 35.020 and attr rmsd > 34.020)) ( attr rmsd < 9.395 and attr rmsd > 9.295) 6 6 0 peak 310 ppm1 4.148 ppm2 9.345 volume 0.1490 assi ((( attr rmsd < 1.774) and (attr rmsd > 1.674)) and bondedto(attr rmsd < 35.109 and attr rmsd > 34.109)) ( attr rmsd < 9.236 and attr rmsd > 9.136) 6 6 0 peak 311 ppm1 1.724 ppm2 9.186 volume 0.3861 assi ((( attr rmsd < 4.182) and (attr rmsd > 4.082)) and bondedto(attr rmsd < 58.665 and attr rmsd > 57.665)) ( attr rmsd < 9.486 and attr rmsd > 9.386) 6 6 0 peak 10312 ppm1 4.132 ppm2 9.436 volume 0.2495 assi ((( attr rmsd < 4.182) and (attr rmsd > 4.082)) and bondedto(attr rmsd < 11.145 and attr rmsd > 10.145)) ( attr rmsd < 9.486 and attr rmsd > 9.386) 6 6 0 peak 20312 ppm1 4.132 ppm2 9.436 volume 0.2495 assi ((( attr rmsd < 3.873) and (attr rmsd > 3.773)) and bondedto(attr rmsd < 58.395 and attr rmsd > 57.395)) ( attr rmsd < 8.245 and attr rmsd > 8.145) 6 6 0 peak 10313 ppm1 3.823 ppm2 8.195 volume 0.2870 assi ((( attr rmsd < 3.873) and (attr rmsd > 3.773)) and bondedto(attr rmsd < 10.875 and attr rmsd > 9.875)) ( attr rmsd < 8.245 and attr rmsd > 8.145) 6 6 0 peak 20313 ppm1 3.823 ppm2 8.195 volume 0.2870 assi ((( attr rmsd < 2.058) and (attr rmsd > 1.958)) and bondedto(attr rmsd < 34.620 and attr rmsd > 33.620)) ( attr rmsd < 8.656 and attr rmsd > 8.556) 6 6 0 peak 314 ppm1 2.008 ppm2 8.606 volume 0.1855 assi ((( attr rmsd < 2.049) and (attr rmsd > 1.949)) and bondedto(attr rmsd < 34.665 and attr rmsd > 33.665)) ( attr rmsd < 8.962 and attr rmsd > 8.862) 6 6 0 peak 315 ppm1 1.999 ppm2 8.912 volume 0.1575 assi ((( attr rmsd < 2.054) and (attr rmsd > 1.954)) and bondedto(attr rmsd < 34.635 and attr rmsd > 33.635)) ( attr rmsd < 6.907 and attr rmsd > 6.807) 6 6 0 peak 316 ppm1 2.004 ppm2 6.857 volume 0.2478 assi ((( attr rmsd < 1.778) and (attr rmsd > 1.678)) and bondedto(attr rmsd < 34.643 and attr rmsd > 33.643)) ( attr rmsd < 8.656 and attr rmsd > 8.556) 6 6 0 peak 317 ppm1 1.728 ppm2 8.606 volume 0.2451 assi ((( attr rmsd < 1.780) and (attr rmsd > 1.680)) and bondedto(attr rmsd < 34.697 and attr rmsd > 33.697)) ( attr rmsd < 6.906 and attr rmsd > 6.806) 6 6 0 peak 318 ppm1 1.730 ppm2 6.856 volume 0.1817 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 58.372 and attr rmsd > 57.372)) ( attr rmsd < 8.163 and attr rmsd > 8.063) 6 6 0 peak 10319 ppm1 3.822 ppm2 8.113 volume 0.1446 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 10.852 and attr rmsd > 9.852)) ( attr rmsd < 8.163 and attr rmsd > 8.063) 6 6 0 peak 20319 ppm1 3.822 ppm2 8.113 volume 0.1446 assi ((( attr rmsd < 3.708) and (attr rmsd > 3.608)) and bondedto(attr rmsd < 58.289 and attr rmsd > 57.289)) ( attr rmsd < 9.300 and attr rmsd > 9.200) 6 6 0 peak 10320 ppm1 3.658 ppm2 9.250 volume 0.8869 assi ((( attr rmsd < 3.708) and (attr rmsd > 3.608)) and bondedto(attr rmsd < 10.769 and attr rmsd > 9.769)) ( attr rmsd < 9.300 and attr rmsd > 9.200) 6 6 0 peak 20320 ppm1 3.658 ppm2 9.250 volume 0.8869 assi ((( attr rmsd < 3.712) and (attr rmsd > 3.612)) and bondedto(attr rmsd < 58.308 and attr rmsd > 57.308)) ( attr rmsd < 8.459 and attr rmsd > 8.359) 6 6 0 peak 10321 ppm1 3.662 ppm2 8.409 volume 0.3017 assi ((( attr rmsd < 3.712) and (attr rmsd > 3.612)) and bondedto(attr rmsd < 10.788 and attr rmsd > 9.788)) ( attr rmsd < 8.459 and attr rmsd > 8.359) 6 6 0 peak 20321 ppm1 3.662 ppm2 8.409 volume 0.3017 assi ((( attr rmsd < 2.475) and (attr rmsd > 2.375)) and bondedto(attr rmsd < 34.441 and attr rmsd > 33.441)) ( attr rmsd < 8.244 and attr rmsd > 8.144) 6 6 0 peak 322 ppm1 2.425 ppm2 8.194 volume 0.2162 assi ((( attr rmsd < 1.828) and (attr rmsd > 1.728)) and bondedto(attr rmsd < 34.517 and attr rmsd > 33.517)) ( attr rmsd < 8.549 and attr rmsd > 8.449) 6 6 0 peak 323 ppm1 1.778 ppm2 8.499 volume 0.4726 assi ((( attr rmsd < 5.845) and (attr rmsd > 5.745)) and bondedto(attr rmsd < 56.934 and attr rmsd > 55.934)) ( attr rmsd < 9.189 and attr rmsd > 9.089) 6 6 0 peak 10324 ppm1 5.795 ppm2 9.139 volume 0.6150 assi ((( attr rmsd < 5.845) and (attr rmsd > 5.745)) and bondedto(attr rmsd < 9.414 and attr rmsd > 8.414)) ( attr rmsd < 9.189 and attr rmsd > 9.089) 6 6 0 peak 20324 ppm1 5.795 ppm2 9.139 volume 0.6150 assi ((( attr rmsd < 5.848) and (attr rmsd > 5.748)) ( attr rmsd < 6.991 and attr rmsd > 6.891) 6 6 0 peak 325 ppm1 5.798 ppm2 6.941 volume 0.2575 assi ((( attr rmsd < 5.848) and (attr rmsd > 5.748)) and bondedto(attr rmsd < 56.921 and attr rmsd > 55.921)) ( attr rmsd < 6.991 and attr rmsd > 6.891) 6 6 0 peak 10325 ppm1 5.798 ppm2 6.941 volume 0.2575 assi ((( attr rmsd < 5.848) and (attr rmsd > 5.748)) and bondedto(attr rmsd < 9.401 and attr rmsd > 8.401)) ( attr rmsd < 6.991 and attr rmsd > 6.891) 6 6 0 peak 20325 ppm1 5.798 ppm2 6.941 volume 0.2575 assi ((( attr rmsd < 4.944) and (attr rmsd > 4.844)) and bondedto(attr rmsd < 56.910 and attr rmsd > 55.910)) ( attr rmsd < 8.553 and attr rmsd > 8.453) 6 6 0 peak 10326 ppm1 4.894 ppm2 8.503 volume 0.5926 assi ((( attr rmsd < 4.944) and (attr rmsd > 4.844)) and bondedto(attr rmsd < 9.390 and attr rmsd > 8.390)) ( attr rmsd < 8.553 and attr rmsd > 8.453) 6 6 0 peak 20326 ppm1 4.894 ppm2 8.503 volume 0.5926 assi ((( attr rmsd < 4.685) and (attr rmsd > 4.585)) and bondedto(attr rmsd < 56.905 and attr rmsd > 55.905)) ( attr rmsd < 8.255 and attr rmsd > 8.155) 6 6 0 peak 10327 ppm1 4.635 ppm2 8.205 volume 0.3085 assi ((( attr rmsd < 4.685) and (attr rmsd > 4.585)) and bondedto(attr rmsd < 9.385 and attr rmsd > 8.385)) ( attr rmsd < 8.255 and attr rmsd > 8.155) 6 6 0 peak 20327 ppm1 4.635 ppm2 8.205 volume 0.3085 assi ((( attr rmsd < 4.889) and (attr rmsd > 4.789)) and bondedto(attr rmsd < 33.188 and attr rmsd > 32.188)) ( attr rmsd < 8.554 and attr rmsd > 8.454) 6 6 0 peak 328 ppm1 4.839 ppm2 8.504 volume 0.2421 assi ((( attr rmsd < 2.167) and (attr rmsd > 2.067)) and bondedto(attr rmsd < 33.143 and attr rmsd > 32.143)) ( attr rmsd < 8.184 and attr rmsd > 8.084) 6 6 0 peak 329 ppm1 2.117 ppm2 8.134 volume 0.4277 assi ((( attr rmsd < 1.684) and (attr rmsd > 1.584)) and bondedto(attr rmsd < 33.239 and attr rmsd > 32.239)) ( attr rmsd < 8.835 and attr rmsd > 8.735) 6 6 0 peak 330 ppm1 1.634 ppm2 8.785 volume 0.1505 assi ((( attr rmsd < 4.368) and (attr rmsd > 4.268)) and bondedto(attr rmsd < 56.744 and attr rmsd > 55.744)) ( attr rmsd < 8.261 and attr rmsd > 8.161) 6 6 0 peak 10331 ppm1 4.318 ppm2 8.211 volume 0.4124 assi ((( attr rmsd < 4.368) and (attr rmsd > 4.268)) and bondedto(attr rmsd < 9.224 and attr rmsd > 8.224)) ( attr rmsd < 8.261 and attr rmsd > 8.161) 6 6 0 peak 20331 ppm1 4.318 ppm2 8.211 volume 0.4124 assi ((( attr rmsd < 4.287) and (attr rmsd > 4.187)) and bondedto(attr rmsd < 56.874 and attr rmsd > 55.874)) ( attr rmsd < 8.472 and attr rmsd > 8.372) 6 6 0 peak 10332 ppm1 4.237 ppm2 8.422 volume 0.8346 assi ((( attr rmsd < 4.287) and (attr rmsd > 4.187)) and bondedto(attr rmsd < 9.354 and attr rmsd > 8.354)) ( attr rmsd < 8.472 and attr rmsd > 8.372) 6 6 0 peak 20332 ppm1 4.237 ppm2 8.422 volume 0.8346 assi ((( attr rmsd < 4.283) and (attr rmsd > 4.183)) and bondedto(attr rmsd < 56.847 and attr rmsd > 55.847)) ( attr rmsd < 7.850 and attr rmsd > 7.750) 6 6 0 peak 10333 ppm1 4.233 ppm2 7.800 volume 0.1574 assi ((( attr rmsd < 4.283) and (attr rmsd > 4.183)) and bondedto(attr rmsd < 9.327 and attr rmsd > 8.327)) ( attr rmsd < 7.850 and attr rmsd > 7.750) 6 6 0 peak 20333 ppm1 4.233 ppm2 7.800 volume 0.1574 assi ((( attr rmsd < 2.000) and (attr rmsd > 1.900)) and bondedto(attr rmsd < 32.797 and attr rmsd > 31.797)) ( attr rmsd < 7.838 and attr rmsd > 7.738) 6 6 0 peak 334 ppm1 1.950 ppm2 7.788 volume 0.4419 assi ((( attr rmsd < 1.946) and (attr rmsd > 1.846)) and bondedto(attr rmsd < 32.784 and attr rmsd > 31.784)) ( attr rmsd < 7.840 and attr rmsd > 7.740) 6 6 0 peak 335 ppm1 1.896 ppm2 7.790 volume 0.5272 assi ((( attr rmsd < 1.944) and (attr rmsd > 1.844)) and bondedto(attr rmsd < 32.748 and attr rmsd > 31.748)) ( attr rmsd < 7.538 and attr rmsd > 7.438) 6 6 0 peak 336 ppm1 1.894 ppm2 7.488 volume 0.2182 assi ((( attr rmsd < 1.655) and (attr rmsd > 1.555)) and bondedto(attr rmsd < 32.861 and attr rmsd > 31.861)) ( attr rmsd < 8.440 and attr rmsd > 8.340) 6 6 0 peak 337 ppm1 1.605 ppm2 8.390 volume 0.1634 assi ((( attr rmsd < 4.412) and (attr rmsd > 4.312)) and bondedto(attr rmsd < 56.396 and attr rmsd > 55.396)) ( attr rmsd < 7.720 and attr rmsd > 7.620) 6 6 0 peak 10338 ppm1 4.362 ppm2 7.670 volume 0.2096 assi ((( attr rmsd < 4.412) and (attr rmsd > 4.312)) and bondedto(attr rmsd < 8.876 and attr rmsd > 7.876)) ( attr rmsd < 7.720 and attr rmsd > 7.620) 6 6 0 peak 20338 ppm1 4.362 ppm2 7.670 volume 0.2096 assi ((( attr rmsd < 1.832) and (attr rmsd > 1.732)) and bondedto(attr rmsd < 32.597 and attr rmsd > 31.597)) ( attr rmsd < 8.253 and attr rmsd > 8.153) 6 6 0 peak 339 ppm1 1.782 ppm2 8.203 volume 0.6049 assi ((( attr rmsd < 1.834) and (attr rmsd > 1.734)) and bondedto(attr rmsd < 32.717 and attr rmsd > 31.717)) ( attr rmsd < 7.941 and attr rmsd > 7.841) 6 6 0 peak 340 ppm1 1.784 ppm2 7.891 volume 0.3307 assi ((( attr rmsd < 2.984) and (attr rmsd > 2.884)) and bondedto(attr rmsd < 32.416 and attr rmsd > 31.416)) ( attr rmsd < 8.150 and attr rmsd > 8.050) 6 6 0 peak 341 ppm1 2.934 ppm2 8.100 volume 0.1769 assi ((( attr rmsd < 2.034) and (attr rmsd > 1.934)) and bondedto(attr rmsd < 32.413 and attr rmsd > 31.413)) ( attr rmsd < 8.129 and attr rmsd > 8.029) 6 6 0 peak 342 ppm1 1.984 ppm2 8.079 volume 0.3851 assi ((( attr rmsd < 2.038) and (attr rmsd > 1.938)) and bondedto(attr rmsd < 32.487 and attr rmsd > 31.487)) ( attr rmsd < 7.593 and attr rmsd > 7.493) 6 6 0 peak 343 ppm1 1.988 ppm2 7.543 volume 0.7383 assi ((( attr rmsd < 4.424) and (attr rmsd > 4.324)) and bondedto(attr rmsd < 55.977 and attr rmsd > 54.977)) ( attr rmsd < 8.156 and attr rmsd > 8.056) 6 6 0 peak 10344 ppm1 4.374 ppm2 8.106 volume 0.9504 assi ((( attr rmsd < 4.424) and (attr rmsd > 4.324)) and bondedto(attr rmsd < 8.457 and attr rmsd > 7.457)) ( attr rmsd < 8.156 and attr rmsd > 8.056) 6 6 0 peak 20344 ppm1 4.374 ppm2 8.106 volume 0.9504 assi ((( attr rmsd < 4.421) and (attr rmsd > 4.321)) and bondedto(attr rmsd < 56.052 and attr rmsd > 55.052)) ( attr rmsd < 8.435 and attr rmsd > 8.335) 6 6 0 peak 10345 ppm1 4.371 ppm2 8.385 volume 0.2012 assi ((( attr rmsd < 4.421) and (attr rmsd > 4.321)) and bondedto(attr rmsd < 8.532 and attr rmsd > 7.532)) ( attr rmsd < 8.435 and attr rmsd > 8.335) 6 6 0 peak 20345 ppm1 4.371 ppm2 8.385 volume 0.2012 assi ((( attr rmsd < 4.903) and (attr rmsd > 4.803)) and bondedto(attr rmsd < 32.259 and attr rmsd > 31.259)) ( attr rmsd < 8.930 and attr rmsd > 8.830) 6 6 0 peak 346 ppm1 4.853 ppm2 8.880 volume 0.2742 assi ((( attr rmsd < 4.773) and (attr rmsd > 4.673)) and bondedto(attr rmsd < 32.251 and attr rmsd > 31.251)) ( attr rmsd < 8.891 and attr rmsd > 8.791) 6 6 0 peak 347 ppm1 4.723 ppm2 8.841 volume 0.1454 assi ((( attr rmsd < 5.003) and (attr rmsd > 4.903)) and bondedto(attr rmsd < 55.908 and attr rmsd > 54.908)) ( attr rmsd < 8.964 and attr rmsd > 8.864) 6 6 0 peak 10348 ppm1 4.953 ppm2 8.914 volume 0.5832 assi ((( attr rmsd < 5.003) and (attr rmsd > 4.903)) and bondedto(attr rmsd < 8.388 and attr rmsd > 7.388)) ( attr rmsd < 8.964 and attr rmsd > 8.864) 6 6 0 peak 20348 ppm1 4.953 ppm2 8.914 volume 0.5832 assi ((( attr rmsd < 5.002) and (attr rmsd > 4.902)) and bondedto(attr rmsd < 55.905 and attr rmsd > 54.905)) ( attr rmsd < 8.655 and attr rmsd > 8.555) 6 6 0 peak 10349 ppm1 4.952 ppm2 8.605 volume 0.2385 assi ((( attr rmsd < 5.002) and (attr rmsd > 4.902)) and bondedto(attr rmsd < 8.385 and attr rmsd > 7.385)) ( attr rmsd < 8.655 and attr rmsd > 8.555) 6 6 0 peak 20349 ppm1 4.952 ppm2 8.605 volume 0.2385 assi ((( attr rmsd < 4.545) and (attr rmsd > 4.445)) and bondedto(attr rmsd < 55.815 and attr rmsd > 54.815)) ( attr rmsd < 9.166 and attr rmsd > 9.066) 6 6 0 peak 10350 ppm1 4.495 ppm2 9.116 volume 0.1564 assi ((( attr rmsd < 4.545) and (attr rmsd > 4.445)) and bondedto(attr rmsd < 8.295 and attr rmsd > 7.295)) ( attr rmsd < 9.166 and attr rmsd > 9.066) 6 6 0 peak 20350 ppm1 4.495 ppm2 9.116 volume 0.1564 assi ((( attr rmsd < 2.015) and (attr rmsd > 1.915)) and bondedto(attr rmsd < 32.140 and attr rmsd > 31.140)) ( attr rmsd < 8.444 and attr rmsd > 8.344) 6 6 0 peak 351 ppm1 1.965 ppm2 8.394 volume 0.1768 assi ((( attr rmsd < 1.870) and (attr rmsd > 1.770)) and bondedto(attr rmsd < 32.174 and attr rmsd > 31.174)) ( attr rmsd < 8.465 and attr rmsd > 8.365) 6 6 0 peak 352 ppm1 1.820 ppm2 8.415 volume 0.4194 assi ((( attr rmsd < 5.000) and (attr rmsd > 4.900)) and bondedto(attr rmsd < 55.699 and attr rmsd > 54.699)) ( attr rmsd < 9.162 and attr rmsd > 9.062) 6 6 0 peak 10353 ppm1 4.950 ppm2 9.112 volume 0.1944 assi ((( attr rmsd < 5.000) and (attr rmsd > 4.900)) and bondedto(attr rmsd < 8.179 and attr rmsd > 7.179)) ( attr rmsd < 9.162 and attr rmsd > 9.062) 6 6 0 peak 20353 ppm1 4.950 ppm2 9.112 volume 0.1944 assi ((( attr rmsd < 4.993) and (attr rmsd > 4.893)) and bondedto(attr rmsd < 55.631 and attr rmsd > 54.631)) ( attr rmsd < 8.237 and attr rmsd > 8.137) 6 6 0 peak 10354 ppm1 4.943 ppm2 8.187 volume 0.1875 assi ((( attr rmsd < 4.993) and (attr rmsd > 4.893)) and bondedto(attr rmsd < 8.111 and attr rmsd > 7.111)) ( attr rmsd < 8.237 and attr rmsd > 8.137) 6 6 0 peak 20354 ppm1 4.943 ppm2 8.187 volume 0.1875 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 55.668 and attr rmsd > 54.668)) ( attr rmsd < 8.161 and attr rmsd > 8.061) 6 6 0 peak 10355 ppm1 4.893 ppm2 8.111 volume 0.1854 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 8.148 and attr rmsd > 7.148)) ( attr rmsd < 8.161 and attr rmsd > 8.061) 6 6 0 peak 20355 ppm1 4.893 ppm2 8.111 volume 0.1854 assi ((( attr rmsd < 4.912) and (attr rmsd > 4.812)) and bondedto(attr rmsd < 55.637 and attr rmsd > 54.637)) ( attr rmsd < 8.269 and attr rmsd > 8.169) 6 6 0 peak 10356 ppm1 4.862 ppm2 8.219 volume 0.2207 assi ((( attr rmsd < 4.912) and (attr rmsd > 4.812)) and bondedto(attr rmsd < 8.117 and attr rmsd > 7.117)) ( attr rmsd < 8.269 and attr rmsd > 8.169) 6 6 0 peak 20356 ppm1 4.862 ppm2 8.219 volume 0.2207 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 55.678 and attr rmsd > 54.678)) ( attr rmsd < 8.243 and attr rmsd > 8.143) 6 6 0 peak 10357 ppm1 4.480 ppm2 8.193 volume 1.0965 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 8.158 and attr rmsd > 7.158)) ( attr rmsd < 8.243 and attr rmsd > 8.143) 6 6 0 peak 20357 ppm1 4.480 ppm2 8.193 volume 1.0965 assi ((( attr rmsd < 4.327) and (attr rmsd > 4.227)) and bondedto(attr rmsd < 55.572 and attr rmsd > 54.572)) ( attr rmsd < 7.913 and attr rmsd > 7.813) 6 6 0 peak 10358 ppm1 4.277 ppm2 7.863 volume 1.2061 assi ((( attr rmsd < 4.327) and (attr rmsd > 4.227)) and bondedto(attr rmsd < 8.052 and attr rmsd > 7.052)) ( attr rmsd < 7.913 and attr rmsd > 7.813) 6 6 0 peak 20358 ppm1 4.277 ppm2 7.863 volume 1.2061 assi ((( attr rmsd < 3.883) and (attr rmsd > 3.783)) and bondedto(attr rmsd < 55.635 and attr rmsd > 54.635)) ( attr rmsd < 8.987 and attr rmsd > 8.887) 6 6 0 peak 10359 ppm1 3.833 ppm2 8.937 volume 0.3066 assi ((( attr rmsd < 3.883) and (attr rmsd > 3.783)) and bondedto(attr rmsd < 8.115 and attr rmsd > 7.115)) ( attr rmsd < 8.987 and attr rmsd > 8.887) 6 6 0 peak 20359 ppm1 3.833 ppm2 8.937 volume 0.3066 assi ((( attr rmsd < 1.825) and (attr rmsd > 1.725)) and bondedto(attr rmsd < 31.923 and attr rmsd > 30.923)) ( attr rmsd < 8.293 and attr rmsd > 8.193) 6 6 0 peak 360 ppm1 1.775 ppm2 8.243 volume 0.6345 assi ((( attr rmsd < 5.672) and (attr rmsd > 5.572)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.874 and attr rmsd > 8.774) 6 6 0 peak 10361 ppm1 5.622 ppm2 8.824 volume 0.4148 assi ((( attr rmsd < 5.672) and (attr rmsd > 5.572)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.874 and attr rmsd > 8.774) 6 6 0 peak 20361 ppm1 5.622 ppm2 8.824 volume 0.4148 assi ((( attr rmsd < 5.675) and (attr rmsd > 5.575)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.492 and attr rmsd > 8.392) 6 6 0 peak 10362 ppm1 5.625 ppm2 8.442 volume 0.1524 assi ((( attr rmsd < 5.675) and (attr rmsd > 5.575)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.492 and attr rmsd > 8.392) 6 6 0 peak 20362 ppm1 5.625 ppm2 8.442 volume 0.1524 assi ((( attr rmsd < 5.464) and (attr rmsd > 5.364)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 9.113 and attr rmsd > 9.013) 6 6 0 peak 10363 ppm1 5.414 ppm2 9.063 volume 0.6615 assi ((( attr rmsd < 5.464) and (attr rmsd > 5.364)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 9.113 and attr rmsd > 9.013) 6 6 0 peak 20363 ppm1 5.414 ppm2 9.063 volume 0.6615 assi ((( attr rmsd < 5.472) and (attr rmsd > 5.372)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.150 and attr rmsd > 8.050) 6 6 0 peak 10364 ppm1 5.422 ppm2 8.100 volume 0.1533 assi ((( attr rmsd < 5.472) and (attr rmsd > 5.372)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.150 and attr rmsd > 8.050) 6 6 0 peak 20364 ppm1 5.422 ppm2 8.100 volume 0.1533 assi ((( attr rmsd < 5.075) and (attr rmsd > 4.975)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.865 and attr rmsd > 8.765) 6 6 0 peak 10365 ppm1 5.025 ppm2 8.815 volume 0.8377 assi ((( attr rmsd < 5.075) and (attr rmsd > 4.975)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.865 and attr rmsd > 8.765) 6 6 0 peak 20365 ppm1 5.025 ppm2 8.815 volume 0.8377 assi ((( attr rmsd < 4.963) and (attr rmsd > 4.863)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 9.164 and attr rmsd > 9.064) 6 6 0 peak 10366 ppm1 4.913 ppm2 9.114 volume 0.1565 assi ((( attr rmsd < 4.963) and (attr rmsd > 4.863)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 9.164 and attr rmsd > 9.064) 6 6 0 peak 20366 ppm1 4.913 ppm2 9.114 volume 0.1565 assi ((( attr rmsd < 4.944) and (attr rmsd > 4.844)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 7.918 and attr rmsd > 7.818) 6 6 0 peak 10367 ppm1 4.894 ppm2 7.868 volume 0.1698 assi ((( attr rmsd < 4.944) and (attr rmsd > 4.844)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 7.918 and attr rmsd > 7.818) 6 6 0 peak 20367 ppm1 4.894 ppm2 7.868 volume 0.1698 assi ((( attr rmsd < 4.923) and (attr rmsd > 4.823)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 9.042 and attr rmsd > 8.942) 6 6 0 peak 10368 ppm1 4.873 ppm2 8.992 volume 0.1906 assi ((( attr rmsd < 4.923) and (attr rmsd > 4.823)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 9.042 and attr rmsd > 8.942) 6 6 0 peak 20368 ppm1 4.873 ppm2 8.992 volume 0.1906 assi ((( attr rmsd < 4.921) and (attr rmsd > 4.821)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.160 and attr rmsd > 8.060) 6 6 0 peak 10369 ppm1 4.871 ppm2 8.110 volume 0.1779 assi ((( attr rmsd < 4.921) and (attr rmsd > 4.821)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.160 and attr rmsd > 8.060) 6 6 0 peak 20369 ppm1 4.871 ppm2 8.110 volume 0.1779 assi ((( attr rmsd < 4.914) and (attr rmsd > 4.814)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 7.923 and attr rmsd > 7.823) 6 6 0 peak 10370 ppm1 4.864 ppm2 7.873 volume 0.1810 assi ((( attr rmsd < 4.914) and (attr rmsd > 4.814)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 7.923 and attr rmsd > 7.823) 6 6 0 peak 20370 ppm1 4.864 ppm2 7.873 volume 0.1810 assi ((( attr rmsd < 4.725) and (attr rmsd > 4.625)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.874 and attr rmsd > 8.774) 6 6 0 peak 10371 ppm1 4.675 ppm2 8.824 volume 0.5781 assi ((( attr rmsd < 4.725) and (attr rmsd > 4.625)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.874 and attr rmsd > 8.774) 6 6 0 peak 20371 ppm1 4.675 ppm2 8.824 volume 0.5781 assi ((( attr rmsd < 4.724) and (attr rmsd > 4.624)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.703 and attr rmsd > 8.603) 6 6 0 peak 10372 ppm1 4.674 ppm2 8.653 volume 0.3121 assi ((( attr rmsd < 4.724) and (attr rmsd > 4.624)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.703 and attr rmsd > 8.603) 6 6 0 peak 20372 ppm1 4.674 ppm2 8.653 volume 0.3121 assi ((( attr rmsd < 4.721) and (attr rmsd > 4.621)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.537 and attr rmsd > 8.437) 6 6 0 peak 10373 ppm1 4.671 ppm2 8.487 volume 0.1619 assi ((( attr rmsd < 4.721) and (attr rmsd > 4.621)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.537 and attr rmsd > 8.437) 6 6 0 peak 20373 ppm1 4.671 ppm2 8.487 volume 0.1619 assi ((( attr rmsd < 4.724) and (attr rmsd > 4.624)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.062 and attr rmsd > 7.962) 6 6 0 peak 10374 ppm1 4.674 ppm2 8.012 volume 0.1483 assi ((( attr rmsd < 4.724) and (attr rmsd > 4.624)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.062 and attr rmsd > 7.962) 6 6 0 peak 20374 ppm1 4.674 ppm2 8.012 volume 0.1483 assi ((( attr rmsd < 4.693) and (attr rmsd > 4.593)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 9.049 and attr rmsd > 8.949) 6 6 0 peak 10375 ppm1 4.643 ppm2 8.999 volume 1.0340 assi ((( attr rmsd < 4.693) and (attr rmsd > 4.593)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 9.049 and attr rmsd > 8.949) 6 6 0 peak 20375 ppm1 4.643 ppm2 8.999 volume 1.0340 assi ((( attr rmsd < 4.700) and (attr rmsd > 4.600)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.337 and attr rmsd > 8.237) 6 6 0 peak 10376 ppm1 4.650 ppm2 8.287 volume 0.3085 assi ((( attr rmsd < 4.700) and (attr rmsd > 4.600)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.337 and attr rmsd > 8.237) 6 6 0 peak 20376 ppm1 4.650 ppm2 8.287 volume 0.3085 assi ((( attr rmsd < 4.542) and (attr rmsd > 4.442)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.959 and attr rmsd > 8.859) 6 6 0 peak 10377 ppm1 4.492 ppm2 8.909 volume 0.4626 assi ((( attr rmsd < 4.542) and (attr rmsd > 4.442)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.959 and attr rmsd > 8.859) 6 6 0 peak 20377 ppm1 4.492 ppm2 8.909 volume 0.4626 assi ((( attr rmsd < 4.485) and (attr rmsd > 4.385)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.184 and attr rmsd > 8.084) 6 6 0 peak 10378 ppm1 4.435 ppm2 8.134 volume 0.6335 assi ((( attr rmsd < 4.485) and (attr rmsd > 4.385)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.184 and attr rmsd > 8.084) 6 6 0 peak 20378 ppm1 4.435 ppm2 8.134 volume 0.6335 assi ((( attr rmsd < 4.414) and (attr rmsd > 4.314)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.300 and attr rmsd > 8.200) 6 6 0 peak 10379 ppm1 4.364 ppm2 8.250 volume 0.2434 assi ((( attr rmsd < 4.414) and (attr rmsd > 4.314)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.300 and attr rmsd > 8.200) 6 6 0 peak 20379 ppm1 4.364 ppm2 8.250 volume 0.2434 assi ((( attr rmsd < 4.410) and (attr rmsd > 4.310)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 7.913 and attr rmsd > 7.813) 6 6 0 peak 10380 ppm1 4.360 ppm2 7.863 volume 0.1657 assi ((( attr rmsd < 4.410) and (attr rmsd > 4.310)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 7.913 and attr rmsd > 7.813) 6 6 0 peak 20380 ppm1 4.360 ppm2 7.863 volume 0.1657 assi ((( attr rmsd < 4.283) and (attr rmsd > 4.183)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.148 and attr rmsd > 8.048) 6 6 0 peak 10381 ppm1 4.233 ppm2 8.098 volume 0.4265 assi ((( attr rmsd < 4.283) and (attr rmsd > 4.183)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.148 and attr rmsd > 8.048) 6 6 0 peak 20381 ppm1 4.233 ppm2 8.098 volume 0.4265 assi ((( attr rmsd < 4.198) and (attr rmsd > 4.098)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 7.942 and attr rmsd > 7.842) 6 6 0 peak 10382 ppm1 4.148 ppm2 7.892 volume 0.4354 assi ((( attr rmsd < 4.198) and (attr rmsd > 4.098)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 7.942 and attr rmsd > 7.842) 6 6 0 peak 20382 ppm1 4.148 ppm2 7.892 volume 0.4354 assi ((( attr rmsd < 3.880) and (attr rmsd > 3.780)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.278 and attr rmsd > 8.178) 6 6 0 peak 10383 ppm1 3.830 ppm2 8.228 volume 0.1785 assi ((( attr rmsd < 3.880) and (attr rmsd > 3.780)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.278 and attr rmsd > 8.178) 6 6 0 peak 20383 ppm1 3.830 ppm2 8.228 volume 0.1785 assi ((( attr rmsd < 3.823) and (attr rmsd > 3.723)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 6.898 and attr rmsd > 6.798) 6 6 0 peak 10384 ppm1 3.773 ppm2 6.848 volume 0.1460 assi ((( attr rmsd < 3.823) and (attr rmsd > 3.723)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 6.898 and attr rmsd > 6.798) 6 6 0 peak 20384 ppm1 3.773 ppm2 6.848 volume 0.1460 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 9.048 and attr rmsd > 8.948) 6 6 0 peak 385 ppm1 4.707 ppm2 8.998 volume 0.3810 assi ((( attr rmsd < 4.532) and (attr rmsd > 4.432)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 9.062 and attr rmsd > 8.962) 6 6 0 peak 386 ppm1 4.482 ppm2 9.012 volume 0.2495 assi ((( attr rmsd < 3.863) and (attr rmsd > 3.763)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 7.683 and attr rmsd > 7.583) 6 6 0 peak 387 ppm1 3.813 ppm2 7.633 volume 0.1642 assi ((( attr rmsd < 3.722) and (attr rmsd > 3.622)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 8.082 and attr rmsd > 7.982) 6 6 0 peak 388 ppm1 3.672 ppm2 8.032 volume 0.1464 assi ((( attr rmsd < 2.528) and (attr rmsd > 2.428)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 8.396 and attr rmsd > 8.296) 6 6 0 peak 389 ppm1 2.478 ppm2 8.346 volume 0.2641 assi ((( attr rmsd < 1.791) and (attr rmsd > 1.691)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 8.985 and attr rmsd > 8.885) 6 6 0 peak 390 ppm1 1.741 ppm2 8.935 volume 0.4842 assi ((( attr rmsd < 1.798) and (attr rmsd > 1.698)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 6.894 and attr rmsd > 6.794) 6 6 0 peak 391 ppm1 1.748 ppm2 6.844 volume 0.2635 assi ((( attr rmsd < 6.607) and (attr rmsd > 6.507)) and bondedto(attr rmsd < 75.573 and attr rmsd > 74.573)) ( attr rmsd < 6.609 and attr rmsd > 6.509) 6 6 0 peak 10392 ppm1 6.557 ppm2 6.559 volume 0.9273 assi ((( attr rmsd < 6.607) and (attr rmsd > 6.507)) and bondedto(attr rmsd < 28.053 and attr rmsd > 27.053)) ( attr rmsd < 6.609 and attr rmsd > 6.509) 6 6 0 peak 20392 ppm1 6.557 ppm2 6.559 volume 0.9273 assi ((( attr rmsd < 7.097) and (attr rmsd > 6.997)) and bondedto(attr rmsd < 49.531 and attr rmsd > 48.531)) ( attr rmsd < 7.097 and attr rmsd > 6.997) 6 6 0 peak 393 ppm1 7.047 ppm2 7.047 volume 0.6408 assi ((( attr rmsd < 7.236) and (attr rmsd > 7.136)) and bondedto(attr rmsd < 48.700 and attr rmsd > 47.700)) ( attr rmsd < 7.132 and attr rmsd > 7.032) 6 6 0 peak 394 ppm1 7.186 ppm2 7.082 volume 0.1714 assi ((( attr rmsd < 7.241) and (attr rmsd > 7.141)) ( attr rmsd < 7.244 and attr rmsd > 7.144) 6 6 0 peak 395 ppm1 7.191 ppm2 7.194 volume 3.0042 assi ((( attr rmsd < 7.241) and (attr rmsd > 7.141)) and bondedto(attr rmsd < 72.375 and attr rmsd > 71.375)) ( attr rmsd < 7.244 and attr rmsd > 7.144) 6 6 0 peak 10395 ppm1 7.191 ppm2 7.194 volume 3.0042 assi ((( attr rmsd < 7.241) and (attr rmsd > 7.141)) and bondedto(attr rmsd < 24.855 and attr rmsd > 23.855)) ( attr rmsd < 7.244 and attr rmsd > 7.144) 6 6 0 peak 20395 ppm1 7.191 ppm2 7.194 volume 3.0042 assi ((( attr rmsd < 7.916) and (attr rmsd > 7.816)) and bondedto(attr rmsd < 72.132 and attr rmsd > 71.132)) ( attr rmsd < 7.095 and attr rmsd > 6.995) 6 6 0 peak 10396 ppm1 7.866 ppm2 7.045 volume 0.1527 assi ((( attr rmsd < 7.916) and (attr rmsd > 7.816)) and bondedto(attr rmsd < 24.612 and attr rmsd > 23.612)) ( attr rmsd < 7.095 and attr rmsd > 6.995) 6 6 0 peak 20396 ppm1 7.866 ppm2 7.045 volume 0.1527 assi ((( attr rmsd < 7.732) and (attr rmsd > 7.632)) and bondedto(attr rmsd < 72.214 and attr rmsd > 71.214)) ( attr rmsd < 7.099 and attr rmsd > 6.999) 6 6 0 peak 10397 ppm1 7.682 ppm2 7.049 volume 0.1613 assi ((( attr rmsd < 7.732) and (attr rmsd > 7.632)) and bondedto(attr rmsd < 24.694 and attr rmsd > 23.694)) ( attr rmsd < 7.099 and attr rmsd > 6.999) 6 6 0 peak 20397 ppm1 7.682 ppm2 7.049 volume 0.1613 assi ((( attr rmsd < 7.312) and (attr rmsd > 7.212)) and bondedto(attr rmsd < 72.124 and attr rmsd > 71.124)) ( attr rmsd < 7.096 and attr rmsd > 6.996) 6 6 0 peak 10398 ppm1 7.262 ppm2 7.046 volume 0.1956 assi ((( attr rmsd < 7.312) and (attr rmsd > 7.212)) and bondedto(attr rmsd < 24.604 and attr rmsd > 23.604)) ( attr rmsd < 7.096 and attr rmsd > 6.996) 6 6 0 peak 20398 ppm1 7.262 ppm2 7.046 volume 0.1956 assi ((( attr rmsd < 7.092) and (attr rmsd > 6.992)) and bondedto(attr rmsd < 72.129 and attr rmsd > 71.129)) ( attr rmsd < 7.294 and attr rmsd > 7.194) 6 6 0 peak 10399 ppm1 7.042 ppm2 7.244 volume 0.3186 assi ((( attr rmsd < 7.092) and (attr rmsd > 6.992)) and bondedto(attr rmsd < 24.609 and attr rmsd > 23.609)) ( attr rmsd < 7.294 and attr rmsd > 7.194) 6 6 0 peak 20399 ppm1 7.042 ppm2 7.244 volume 0.3186 assi ((( attr rmsd < 7.092) and (attr rmsd > 6.992)) and bondedto(attr rmsd < 72.156 and attr rmsd > 71.156)) ( attr rmsd < 7.097 and attr rmsd > 6.997) 6 6 0 peak 10400 ppm1 7.042 ppm2 7.047 volume 12.6102 assi ((( attr rmsd < 7.092) and (attr rmsd > 6.992)) and bondedto(attr rmsd < 24.636 and attr rmsd > 23.636)) ( attr rmsd < 7.097 and attr rmsd > 6.997) 6 6 0 peak 20400 ppm1 7.042 ppm2 7.047 volume 12.6102 assi ((( attr rmsd < 7.501) and (attr rmsd > 7.401)) and bondedto(attr rmsd < 48.374 and attr rmsd > 47.374)) ( attr rmsd < 7.092 and attr rmsd > 6.992) 6 6 0 peak 401 ppm1 7.451 ppm2 7.042 volume 0.1659 assi ((( attr rmsd < 7.099) and (attr rmsd > 6.999)) ( attr rmsd < 7.001 and attr rmsd > 6.901) 6 6 0 peak 402 ppm1 7.049 ppm2 6.951 volume 1.3182 assi ((( attr rmsd < 7.099) and (attr rmsd > 6.999)) and bondedto(attr rmsd < 48.405 and attr rmsd > 47.405)) ( attr rmsd < 7.001 and attr rmsd > 6.901) 6 6 0 peak 402 ppm1 7.049 ppm2 6.951 volume 1.3182 assi ((( attr rmsd < 7.084) and (attr rmsd > 6.984)) ( attr rmsd < 7.189 and attr rmsd > 7.089) 6 6 0 peak 403 ppm1 7.034 ppm2 7.139 volume 0.5114 assi ((( attr rmsd < 7.084) and (attr rmsd > 6.984)) and bondedto(attr rmsd < 48.384 and attr rmsd > 47.384)) ( attr rmsd < 7.189 and attr rmsd > 7.089) 6 6 0 peak 403 ppm1 7.034 ppm2 7.139 volume 0.5114 assi ((( attr rmsd < 6.980) and (attr rmsd > 6.880)) and bondedto(attr rmsd < 48.447 and attr rmsd > 47.447)) ( attr rmsd < 7.098 and attr rmsd > 6.998) 6 6 0 peak 404 ppm1 6.930 ppm2 7.048 volume 0.2097 assi ((( attr rmsd < 6.931) and (attr rmsd > 6.831)) and bondedto(attr rmsd < 48.372 and attr rmsd > 47.372)) ( attr rmsd < 7.092 and attr rmsd > 6.992) 6 6 0 peak 405 ppm1 6.881 ppm2 7.042 volume 0.1560 assi ((( attr rmsd < 6.676) and (attr rmsd > 6.576)) and bondedto(attr rmsd < 48.408 and attr rmsd > 47.408)) ( attr rmsd < 7.094 and attr rmsd > 6.994) 6 6 0 peak 406 ppm1 6.626 ppm2 7.044 volume 0.2262 assi ((( attr rmsd < 9.168) and (attr rmsd > 9.068)) and bondedto(attr rmsd < 71.259 and attr rmsd > 70.259)) ( attr rmsd < 9.167 and attr rmsd > 9.067) 6 6 0 peak 10407 ppm1 9.118 ppm2 9.117 volume 0.3630 assi ((( attr rmsd < 9.168) and (attr rmsd > 9.068)) and bondedto(attr rmsd < 23.739 and attr rmsd > 22.739)) ( attr rmsd < 9.167 and attr rmsd > 9.067) 6 6 0 peak 20407 ppm1 9.118 ppm2 9.117 volume 0.3630 assi ((( attr rmsd < 7.247) and (attr rmsd > 7.147)) and bondedto(attr rmsd < 47.446 and attr rmsd > 46.446)) ( attr rmsd < 7.252 and attr rmsd > 7.152) 6 6 0 peak 408 ppm1 7.197 ppm2 7.202 volume 0.3061 assi ((( attr rmsd < 7.095) and (attr rmsd > 6.995)) and bondedto(attr rmsd < 47.249 and attr rmsd > 46.249)) ( attr rmsd < 7.097 and attr rmsd > 6.997) 6 6 0 peak 409 ppm1 7.045 ppm2 7.047 volume 1.3910 assi ((( attr rmsd < 9.532) and (attr rmsd > 9.432)) and bondedto(attr rmsd < 70.670 and attr rmsd > 69.670)) ( attr rmsd < 9.528 and attr rmsd > 9.428) 6 6 0 peak 10410 ppm1 9.482 ppm2 9.478 volume 0.2170 assi ((( attr rmsd < 9.532) and (attr rmsd > 9.432)) and bondedto(attr rmsd < 23.150 and attr rmsd > 22.150)) ( attr rmsd < 9.528 and attr rmsd > 9.428) 6 6 0 peak 20410 ppm1 9.482 ppm2 9.478 volume 0.2170 assi ((( attr rmsd < 8.845) and (attr rmsd > 8.745)) and bondedto(attr rmsd < 70.495 and attr rmsd > 69.495)) ( attr rmsd < 8.855 and attr rmsd > 8.755) 6 6 0 peak 10411 ppm1 8.795 ppm2 8.805 volume 0.2428 assi ((( attr rmsd < 8.845) and (attr rmsd > 8.745)) and bondedto(attr rmsd < 22.975 and attr rmsd > 21.975)) ( attr rmsd < 8.855 and attr rmsd > 8.755) 6 6 0 peak 20411 ppm1 8.795 ppm2 8.805 volume 0.2428 assi ((( attr rmsd < 9.166) and (attr rmsd > 9.066)) and bondedto(attr rmsd < 46.688 and attr rmsd > 45.688)) ( attr rmsd < 9.168 and attr rmsd > 9.068) 6 6 0 peak 412 ppm1 9.116 ppm2 9.118 volume 3.6567 assi ((( attr rmsd < 9.167) and (attr rmsd > 9.067)) and bondedto(attr rmsd < 46.684 and attr rmsd > 45.684)) ( attr rmsd < 8.892 and attr rmsd > 8.792) 6 6 0 peak 413 ppm1 9.117 ppm2 8.842 volume 0.1950 assi ((( attr rmsd < 8.007) and (attr rmsd > 7.907)) and bondedto(attr rmsd < 46.653 and attr rmsd > 45.653)) ( attr rmsd < 8.006 and attr rmsd > 7.906) 6 6 0 peak 414 ppm1 7.957 ppm2 7.956 volume 0.8910 assi ((( attr rmsd < 8.891) and (attr rmsd > 8.791)) and bondedto(attr rmsd < 70.290 and attr rmsd > 69.290)) ( attr rmsd < 8.894 and attr rmsd > 8.794) 6 6 0 peak 10415 ppm1 8.841 ppm2 8.844 volume 0.1900 assi ((( attr rmsd < 8.891) and (attr rmsd > 8.791)) and bondedto(attr rmsd < 22.770 and attr rmsd > 21.770)) ( attr rmsd < 8.894 and attr rmsd > 8.794) 6 6 0 peak 20415 ppm1 8.841 ppm2 8.844 volume 0.1900 assi ((( attr rmsd < 8.257) and (attr rmsd > 8.157)) and bondedto(attr rmsd < 70.225 and attr rmsd > 69.225)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 10416 ppm1 8.207 ppm2 8.207 volume 0.5304 assi ((( attr rmsd < 8.257) and (attr rmsd > 8.157)) and bondedto(attr rmsd < 22.705 and attr rmsd > 21.705)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 20416 ppm1 8.207 ppm2 8.207 volume 0.5304 assi ((( attr rmsd < 8.949) and (attr rmsd > 8.849)) and bondedto(attr rmsd < 70.022 and attr rmsd > 69.022)) ( attr rmsd < 8.946 and attr rmsd > 8.846) 6 6 0 peak 10417 ppm1 8.899 ppm2 8.896 volume 0.3953 assi ((( attr rmsd < 8.949) and (attr rmsd > 8.849)) and bondedto(attr rmsd < 22.502 and attr rmsd > 21.502)) ( attr rmsd < 8.946 and attr rmsd > 8.846) 6 6 0 peak 20417 ppm1 8.899 ppm2 8.896 volume 0.3953 assi ((( attr rmsd < 6.684) and (attr rmsd > 6.584)) ( attr rmsd < 6.990 and attr rmsd > 6.890) 6 6 0 peak 418 ppm1 6.634 ppm2 6.940 volume 0.7869 assi ((( attr rmsd < 6.684) and (attr rmsd > 6.584)) and bondedto(attr rmsd < 70.056 and attr rmsd > 69.056)) ( attr rmsd < 6.990 and attr rmsd > 6.890) 6 6 0 peak 10418 ppm1 6.634 ppm2 6.940 volume 0.7869 assi ((( attr rmsd < 6.684) and (attr rmsd > 6.584)) and bondedto(attr rmsd < 22.536 and attr rmsd > 21.536)) ( attr rmsd < 6.990 and attr rmsd > 6.890) 6 6 0 peak 20418 ppm1 6.634 ppm2 6.940 volume 0.7869 assi ((( attr rmsd < 6.690) and (attr rmsd > 6.590)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 419 ppm1 6.640 ppm2 6.641 volume 1.8943 assi ((( attr rmsd < 6.690) and (attr rmsd > 6.590)) and bondedto(attr rmsd < 70.053 and attr rmsd > 69.053)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 10419 ppm1 6.640 ppm2 6.641 volume 1.8943 assi ((( attr rmsd < 6.690) and (attr rmsd > 6.590)) and bondedto(attr rmsd < 22.533 and attr rmsd > 21.533)) ( attr rmsd < 6.691 and attr rmsd > 6.591) 6 6 0 peak 20419 ppm1 6.640 ppm2 6.641 volume 1.8943 assi ((( attr rmsd < 7.094) and (attr rmsd > 6.994)) and bondedto(attr rmsd < 46.372 and attr rmsd > 45.372)) ( attr rmsd < 7.096 and attr rmsd > 6.996) 6 6 0 peak 420 ppm1 7.044 ppm2 7.046 volume 0.3070 assi ((( attr rmsd < 9.530) and (attr rmsd > 9.430)) and bondedto(attr rmsd < 46.080 and attr rmsd > 45.080)) ( attr rmsd < 9.531 and attr rmsd > 9.431) 6 6 0 peak 421 ppm1 9.480 ppm2 9.481 volume 2.0486 assi ((( attr rmsd < 9.528) and (attr rmsd > 9.428)) and bondedto(attr rmsd < 46.099 and attr rmsd > 45.099)) ( attr rmsd < 9.110 and attr rmsd > 9.010) 6 6 0 peak 422 ppm1 9.478 ppm2 9.060 volume 0.1746 assi ((( attr rmsd < 9.529) and (attr rmsd > 9.429)) and bondedto(attr rmsd < 46.069 and attr rmsd > 45.069)) ( attr rmsd < 8.855 and attr rmsd > 8.755) 6 6 0 peak 423 ppm1 9.479 ppm2 8.805 volume 0.1556 assi ((( attr rmsd < 9.168) and (attr rmsd > 9.068)) and bondedto(attr rmsd < 69.641 and attr rmsd > 68.641)) ( attr rmsd < 9.168 and attr rmsd > 9.068) 6 6 0 peak 10424 ppm1 9.118 ppm2 9.118 volume 0.4468 assi ((( attr rmsd < 9.168) and (attr rmsd > 9.068)) and bondedto(attr rmsd < 22.121 and attr rmsd > 21.121)) ( attr rmsd < 9.168 and attr rmsd > 9.068) 6 6 0 peak 20424 ppm1 9.118 ppm2 9.118 volume 0.4468 assi ((( attr rmsd < 9.247) and (attr rmsd > 9.147)) and bondedto(attr rmsd < 69.531 and attr rmsd > 68.531)) ( attr rmsd < 9.241 and attr rmsd > 9.141) 6 6 0 peak 10425 ppm1 9.197 ppm2 9.191 volume 0.2316 assi ((( attr rmsd < 9.247) and (attr rmsd > 9.147)) and bondedto(attr rmsd < 22.011 and attr rmsd > 21.011)) ( attr rmsd < 9.241 and attr rmsd > 9.141) 6 6 0 peak 20425 ppm1 9.197 ppm2 9.191 volume 0.2316 assi ((( attr rmsd < 8.834) and (attr rmsd > 8.734)) and bondedto(attr rmsd < 69.525 and attr rmsd > 68.525)) ( attr rmsd < 8.726 and attr rmsd > 8.626) 6 6 0 peak 10426 ppm1 8.784 ppm2 8.676 volume 0.2373 assi ((( attr rmsd < 8.834) and (attr rmsd > 8.734)) and bondedto(attr rmsd < 22.005 and attr rmsd > 21.005)) ( attr rmsd < 8.726 and attr rmsd > 8.626) 6 6 0 peak 20426 ppm1 8.784 ppm2 8.676 volume 0.2373 assi ((( attr rmsd < 8.158) and (attr rmsd > 8.058)) and bondedto(attr rmsd < 69.420 and attr rmsd > 68.420)) ( attr rmsd < 8.247 and attr rmsd > 8.147) 6 6 0 peak 10427 ppm1 8.108 ppm2 8.197 volume 0.1481 assi ((( attr rmsd < 8.158) and (attr rmsd > 8.058)) and bondedto(attr rmsd < 21.900 and attr rmsd > 20.900)) ( attr rmsd < 8.247 and attr rmsd > 8.147) 6 6 0 peak 20427 ppm1 8.108 ppm2 8.197 volume 0.1481 assi ((( attr rmsd < 7.736) and (attr rmsd > 7.636)) and bondedto(attr rmsd < 69.496 and attr rmsd > 68.496)) ( attr rmsd < 7.740 and attr rmsd > 7.640) 6 6 0 peak 10428 ppm1 7.686 ppm2 7.690 volume 0.4303 assi ((( attr rmsd < 7.736) and (attr rmsd > 7.636)) and bondedto(attr rmsd < 21.976 and attr rmsd > 20.976)) ( attr rmsd < 7.740 and attr rmsd > 7.640) 6 6 0 peak 20428 ppm1 7.686 ppm2 7.690 volume 0.4303 assi ((( attr rmsd < 8.948) and (attr rmsd > 8.848)) and bondedto(attr rmsd < 45.496 and attr rmsd > 44.496)) ( attr rmsd < 9.180 and attr rmsd > 9.080) 6 6 0 peak 429 ppm1 8.898 ppm2 9.130 volume 0.1484 assi ((( attr rmsd < 8.885) and (attr rmsd > 8.785)) and bondedto(attr rmsd < 45.583 and attr rmsd > 44.583)) ( attr rmsd < 8.508 and attr rmsd > 8.408) 6 6 0 peak 430 ppm1 8.835 ppm2 8.458 volume 0.1966 assi ((( attr rmsd < 8.827) and (attr rmsd > 8.727)) and bondedto(attr rmsd < 45.532 and attr rmsd > 44.532)) ( attr rmsd < 8.827 and attr rmsd > 8.727) 6 6 0 peak 431 ppm1 8.777 ppm2 8.777 volume 3.5001 assi ((( attr rmsd < 8.244) and (attr rmsd > 8.144)) and bondedto(attr rmsd < 45.634 and attr rmsd > 44.634)) ( attr rmsd < 8.244 and attr rmsd > 8.144) 6 6 0 peak 432 ppm1 8.194 ppm2 8.194 volume 5.4947 assi ((( attr rmsd < 7.913) and (attr rmsd > 7.813)) and bondedto(attr rmsd < 45.564 and attr rmsd > 44.564)) ( attr rmsd < 7.915 and attr rmsd > 7.815) 6 6 0 peak 433 ppm1 7.863 ppm2 7.865 volume 0.3915 assi ((( attr rmsd < 7.095) and (attr rmsd > 6.995)) and bondedto(attr rmsd < 45.472 and attr rmsd > 44.472)) ( attr rmsd < 7.102 and attr rmsd > 7.002) 6 6 0 peak 434 ppm1 7.045 ppm2 7.052 volume 0.1592 assi ((( attr rmsd < 8.557) and (attr rmsd > 8.457)) and bondedto(attr rmsd < 69.185 and attr rmsd > 68.185)) ( attr rmsd < 8.555 and attr rmsd > 8.455) 6 6 0 peak 10435 ppm1 8.507 ppm2 8.505 volume 0.1841 assi ((( attr rmsd < 8.557) and (attr rmsd > 8.457)) and bondedto(attr rmsd < 21.665 and attr rmsd > 20.665)) ( attr rmsd < 8.555 and attr rmsd > 8.455) 6 6 0 peak 20435 ppm1 8.507 ppm2 8.505 volume 0.1841 assi ((( attr rmsd < 8.946) and (attr rmsd > 8.846)) and bondedto(attr rmsd < 45.432 and attr rmsd > 44.432)) ( attr rmsd < 8.946 and attr rmsd > 8.846) 6 6 0 peak 436 ppm1 8.896 ppm2 8.896 volume 4.6754 assi ((( attr rmsd < 8.951) and (attr rmsd > 8.851)) and bondedto(attr rmsd < 45.406 and attr rmsd > 44.406)) ( attr rmsd < 8.458 and attr rmsd > 8.358) 6 6 0 peak 437 ppm1 8.901 ppm2 8.408 volume 0.1789 assi ((( attr rmsd < 8.066) and (attr rmsd > 7.966)) and bondedto(attr rmsd < 45.358 and attr rmsd > 44.358)) ( attr rmsd < 8.069 and attr rmsd > 7.969) 6 6 0 peak 438 ppm1 8.016 ppm2 8.019 volume 0.4231 assi ((( attr rmsd < 9.536) and (attr rmsd > 9.436)) and bondedto(attr rmsd < 69.033 and attr rmsd > 68.033)) ( attr rmsd < 9.536 and attr rmsd > 9.436) 6 6 0 peak 10439 ppm1 9.486 ppm2 9.486 volume 0.1999 assi ((( attr rmsd < 9.536) and (attr rmsd > 9.436)) and bondedto(attr rmsd < 21.513 and attr rmsd > 20.513)) ( attr rmsd < 9.536 and attr rmsd > 9.436) 6 6 0 peak 20439 ppm1 9.486 ppm2 9.486 volume 0.1999 assi ((( attr rmsd < 8.853) and (attr rmsd > 8.753)) and bondedto(attr rmsd < 45.114 and attr rmsd > 44.114)) ( attr rmsd < 8.855 and attr rmsd > 8.755) 6 6 0 peak 440 ppm1 8.803 ppm2 8.805 volume 3.6574 assi ((( attr rmsd < 9.242) and (attr rmsd > 9.142)) and bondedto(attr rmsd < 44.951 and attr rmsd > 43.951)) ( attr rmsd < 9.242 and attr rmsd > 9.142) 6 6 0 peak 441 ppm1 9.192 ppm2 9.192 volume 2.2404 assi ((( attr rmsd < 7.739) and (attr rmsd > 7.639)) and bondedto(attr rmsd < 44.924 and attr rmsd > 43.924)) ( attr rmsd < 8.661 and attr rmsd > 8.561) 6 6 0 peak 442 ppm1 7.689 ppm2 8.611 volume 0.1564 assi ((( attr rmsd < 7.735) and (attr rmsd > 7.635)) and bondedto(attr rmsd < 44.920 and attr rmsd > 43.920)) ( attr rmsd < 7.739 and attr rmsd > 7.639) 6 6 0 peak 443 ppm1 7.685 ppm2 7.689 volume 4.0184 assi ((( attr rmsd < 7.736) and (attr rmsd > 7.636)) and bondedto(attr rmsd < 44.915 and attr rmsd > 43.915)) ( attr rmsd < 6.905 and attr rmsd > 6.805) 6 6 0 peak 444 ppm1 7.686 ppm2 6.855 volume 0.8901 assi ((( attr rmsd < 8.472) and (attr rmsd > 8.372)) and bondedto(attr rmsd < 68.639 and attr rmsd > 67.639)) ( attr rmsd < 8.475 and attr rmsd > 8.375) 6 6 0 peak 10445 ppm1 8.422 ppm2 8.425 volume 0.3791 assi ((( attr rmsd < 8.472) and (attr rmsd > 8.372)) and bondedto(attr rmsd < 21.119 and attr rmsd > 20.119)) ( attr rmsd < 8.475 and attr rmsd > 8.375) 6 6 0 peak 20445 ppm1 8.422 ppm2 8.425 volume 0.3791 assi ((( attr rmsd < 8.241) and (attr rmsd > 8.141)) and bondedto(attr rmsd < 68.610 and attr rmsd > 67.610)) ( attr rmsd < 8.240 and attr rmsd > 8.140) 6 6 0 peak 10446 ppm1 8.191 ppm2 8.190 volume 0.4683 assi ((( attr rmsd < 8.241) and (attr rmsd > 8.141)) and bondedto(attr rmsd < 21.090 and attr rmsd > 20.090)) ( attr rmsd < 8.240 and attr rmsd > 8.140) 6 6 0 peak 20446 ppm1 8.191 ppm2 8.190 volume 0.4683 assi ((( attr rmsd < 8.298) and (attr rmsd > 8.198)) and bondedto(attr rmsd < 44.868 and attr rmsd > 43.868)) ( attr rmsd < 8.303 and attr rmsd > 8.203) 6 6 0 peak 447 ppm1 8.248 ppm2 8.253 volume 1.3845 assi ((( attr rmsd < 7.740) and (attr rmsd > 7.640)) and bondedto(attr rmsd < 44.896 and attr rmsd > 43.896)) ( attr rmsd < 8.975 and attr rmsd > 8.875) 6 6 0 peak 448 ppm1 7.690 ppm2 8.925 volume 0.1552 assi ((( attr rmsd < 8.949) and (attr rmsd > 8.849)) and bondedto(attr rmsd < 68.374 and attr rmsd > 67.374)) ( attr rmsd < 8.948 and attr rmsd > 8.848) 6 6 0 peak 10449 ppm1 8.899 ppm2 8.898 volume 0.6001 assi ((( attr rmsd < 8.949) and (attr rmsd > 8.849)) and bondedto(attr rmsd < 20.854 and attr rmsd > 19.854)) ( attr rmsd < 8.948 and attr rmsd > 8.848) 6 6 0 peak 20449 ppm1 8.899 ppm2 8.898 volume 0.6001 assi ((( attr rmsd < 8.708) and (attr rmsd > 8.608)) and bondedto(attr rmsd < 68.440 and attr rmsd > 67.440)) ( attr rmsd < 8.705 and attr rmsd > 8.605) 6 6 0 peak 10450 ppm1 8.658 ppm2 8.655 volume 0.1937 assi ((( attr rmsd < 8.708) and (attr rmsd > 8.608)) and bondedto(attr rmsd < 20.920 and attr rmsd > 19.920)) ( attr rmsd < 8.705 and attr rmsd > 8.605) 6 6 0 peak 20450 ppm1 8.658 ppm2 8.655 volume 0.1937 assi ((( attr rmsd < 8.554) and (attr rmsd > 8.454)) and bondedto(attr rmsd < 44.581 and attr rmsd > 43.581)) ( attr rmsd < 8.554 and attr rmsd > 8.454) 6 6 0 peak 451 ppm1 8.504 ppm2 8.504 volume 2.1904 assi ((( attr rmsd < 8.653) and (attr rmsd > 8.553)) and bondedto(attr rmsd < 68.257 and attr rmsd > 67.257)) ( attr rmsd < 8.657 and attr rmsd > 8.557) 6 6 0 peak 10452 ppm1 8.603 ppm2 8.607 volume 0.2359 assi ((( attr rmsd < 8.653) and (attr rmsd > 8.553)) and bondedto(attr rmsd < 20.737 and attr rmsd > 19.737)) ( attr rmsd < 8.657 and attr rmsd > 8.557) 6 6 0 peak 20452 ppm1 8.603 ppm2 8.607 volume 0.2359 assi ((( attr rmsd < 7.924) and (attr rmsd > 7.824)) and bondedto(attr rmsd < 68.227 and attr rmsd > 67.227)) ( attr rmsd < 7.932 and attr rmsd > 7.832) 6 6 0 peak 10453 ppm1 7.874 ppm2 7.882 volume 0.1660 assi ((( attr rmsd < 7.924) and (attr rmsd > 7.824)) and bondedto(attr rmsd < 20.707 and attr rmsd > 19.707)) ( attr rmsd < 7.932 and attr rmsd > 7.832) 6 6 0 peak 20453 ppm1 7.874 ppm2 7.882 volume 0.1660 assi ((( attr rmsd < 8.834) and (attr rmsd > 8.734)) and bondedto(attr rmsd < 67.956 and attr rmsd > 66.956)) ( attr rmsd < 8.835 and attr rmsd > 8.735) 6 6 0 peak 10454 ppm1 8.784 ppm2 8.785 volume 0.1492 assi ((( attr rmsd < 8.834) and (attr rmsd > 8.734)) and bondedto(attr rmsd < 20.436 and attr rmsd > 19.436)) ( attr rmsd < 8.835 and attr rmsd > 8.735) 6 6 0 peak 20454 ppm1 8.784 ppm2 8.785 volume 0.1492 assi ((( attr rmsd < 8.181) and (attr rmsd > 8.081)) and bondedto(attr rmsd < 68.074 and attr rmsd > 67.074)) ( attr rmsd < 8.182 and attr rmsd > 8.082) 6 6 0 peak 10455 ppm1 8.131 ppm2 8.132 volume 0.3477 assi ((( attr rmsd < 8.181) and (attr rmsd > 8.081)) and bondedto(attr rmsd < 20.554 and attr rmsd > 19.554)) ( attr rmsd < 8.182 and attr rmsd > 8.082) 6 6 0 peak 20455 ppm1 8.131 ppm2 8.132 volume 0.3477 assi ((( attr rmsd < 9.439) and (attr rmsd > 9.339)) and bondedto(attr rmsd < 67.733 and attr rmsd > 66.733)) ( attr rmsd < 9.439 and attr rmsd > 9.339) 6 6 0 peak 10456 ppm1 9.389 ppm2 9.389 volume 0.2662 assi ((( attr rmsd < 9.439) and (attr rmsd > 9.339)) and bondedto(attr rmsd < 20.213 and attr rmsd > 19.213)) ( attr rmsd < 9.439 and attr rmsd > 9.339) 6 6 0 peak 20456 ppm1 9.389 ppm2 9.389 volume 0.2662 assi ((( attr rmsd < 9.241) and (attr rmsd > 9.141)) and bondedto(attr rmsd < 67.897 and attr rmsd > 66.897)) ( attr rmsd < 9.246 and attr rmsd > 9.146) 6 6 0 peak 10457 ppm1 9.191 ppm2 9.196 volume 0.2595 assi ((( attr rmsd < 9.241) and (attr rmsd > 9.141)) and bondedto(attr rmsd < 20.377 and attr rmsd > 19.377)) ( attr rmsd < 9.246 and attr rmsd > 9.146) 6 6 0 peak 20457 ppm1 9.191 ppm2 9.196 volume 0.2595 assi ((( attr rmsd < 8.086) and (attr rmsd > 7.986)) and bondedto(attr rmsd < 67.783 and attr rmsd > 66.783)) ( attr rmsd < 8.087 and attr rmsd > 7.987) 6 6 0 peak 10458 ppm1 8.036 ppm2 8.037 volume 0.3491 assi ((( attr rmsd < 8.086) and (attr rmsd > 7.986)) and bondedto(attr rmsd < 20.263 and attr rmsd > 19.263)) ( attr rmsd < 8.087 and attr rmsd > 7.987) 6 6 0 peak 20458 ppm1 8.036 ppm2 8.037 volume 0.3491 assi ((( attr rmsd < 7.730) and (attr rmsd > 7.630)) and bondedto(attr rmsd < 67.779 and attr rmsd > 66.779)) ( attr rmsd < 7.728 and attr rmsd > 7.628) 6 6 0 peak 10459 ppm1 7.680 ppm2 7.678 volume 0.7244 assi ((( attr rmsd < 7.730) and (attr rmsd > 7.630)) and bondedto(attr rmsd < 20.259 and attr rmsd > 19.259)) ( attr rmsd < 7.728 and attr rmsd > 7.628) 6 6 0 peak 20459 ppm1 7.680 ppm2 7.678 volume 0.7244 assi ((( attr rmsd < 8.894) and (attr rmsd > 8.794)) and bondedto(attr rmsd < 44.027 and attr rmsd > 43.027)) ( attr rmsd < 8.896 and attr rmsd > 8.796) 6 6 0 peak 460 ppm1 8.844 ppm2 8.846 volume 3.1543 assi ((( attr rmsd < 8.892) and (attr rmsd > 8.792)) ( attr rmsd < 7.217 and attr rmsd > 7.117) 6 6 0 peak 461 ppm1 8.842 ppm2 7.167 volume 0.1685 assi ((( attr rmsd < 8.892) and (attr rmsd > 8.792)) and bondedto(attr rmsd < 44.003 and attr rmsd > 43.003)) ( attr rmsd < 7.217 and attr rmsd > 7.117) 6 6 0 peak 461 ppm1 8.842 ppm2 7.167 volume 0.1685 assi ((( attr rmsd < 8.469) and (attr rmsd > 8.369)) and bondedto(attr rmsd < 44.072 and attr rmsd > 43.072)) ( attr rmsd < 8.987 and attr rmsd > 8.887) 6 6 0 peak 462 ppm1 8.419 ppm2 8.937 volume 0.7492 assi ((( attr rmsd < 8.474) and (attr rmsd > 8.374)) and bondedto(attr rmsd < 44.045 and attr rmsd > 43.045)) ( attr rmsd < 8.477 and attr rmsd > 8.377) 6 6 0 peak 463 ppm1 8.424 ppm2 8.427 volume 4.9580 assi ((( attr rmsd < 8.984) and (attr rmsd > 8.884)) and bondedto(attr rmsd < 67.706 and attr rmsd > 66.706)) ( attr rmsd < 8.982 and attr rmsd > 8.882) 6 6 0 peak 10464 ppm1 8.934 ppm2 8.932 volume 0.3198 assi ((( attr rmsd < 8.984) and (attr rmsd > 8.884)) and bondedto(attr rmsd < 20.186 and attr rmsd > 19.186)) ( attr rmsd < 8.982 and attr rmsd > 8.882) 6 6 0 peak 20464 ppm1 8.934 ppm2 8.932 volume 0.3198 assi ((( attr rmsd < 8.338) and (attr rmsd > 8.238)) and bondedto(attr rmsd < 67.593 and attr rmsd > 66.593)) ( attr rmsd < 8.342 and attr rmsd > 8.242) 6 6 0 peak 10465 ppm1 8.288 ppm2 8.292 volume 0.2127 assi ((( attr rmsd < 8.338) and (attr rmsd > 8.238)) and bondedto(attr rmsd < 20.073 and attr rmsd > 19.073)) ( attr rmsd < 8.342 and attr rmsd > 8.242) 6 6 0 peak 20465 ppm1 8.288 ppm2 8.292 volume 0.2127 assi ((( attr rmsd < 8.708) and (attr rmsd > 8.608)) and bondedto(attr rmsd < 43.843 and attr rmsd > 42.843)) ( attr rmsd < 8.850 and attr rmsd > 8.750) 6 6 0 peak 466 ppm1 8.658 ppm2 8.800 volume 0.1483 assi ((( attr rmsd < 8.698) and (attr rmsd > 8.598)) and bondedto(attr rmsd < 43.865 and attr rmsd > 42.865)) ( attr rmsd < 8.698 and attr rmsd > 8.598) 6 6 0 peak 467 ppm1 8.648 ppm2 8.648 volume 2.3887 assi ((( attr rmsd < 9.121) and (attr rmsd > 9.021)) and bondedto(attr rmsd < 67.501 and attr rmsd > 66.501)) ( attr rmsd < 9.117 and attr rmsd > 9.017) 6 6 0 peak 10468 ppm1 9.071 ppm2 9.067 volume 0.1959 assi ((( attr rmsd < 9.121) and (attr rmsd > 9.021)) and bondedto(attr rmsd < 19.981 and attr rmsd > 18.981)) ( attr rmsd < 9.117 and attr rmsd > 9.017) 6 6 0 peak 20468 ppm1 9.071 ppm2 9.067 volume 0.1959 assi ((( attr rmsd < 7.923) and (attr rmsd > 7.823)) and bondedto(attr rmsd < 67.469 and attr rmsd > 66.469)) ( attr rmsd < 7.928 and attr rmsd > 7.828) 6 6 0 peak 10469 ppm1 7.873 ppm2 7.878 volume 0.6365 assi ((( attr rmsd < 7.923) and (attr rmsd > 7.823)) and bondedto(attr rmsd < 19.949 and attr rmsd > 18.949)) ( attr rmsd < 7.928 and attr rmsd > 7.828) 6 6 0 peak 20469 ppm1 7.873 ppm2 7.878 volume 0.6365 assi ((( attr rmsd < 8.655) and (attr rmsd > 8.555)) and bondedto(attr rmsd < 43.669 and attr rmsd > 42.669)) ( attr rmsd < 8.654 and attr rmsd > 8.554) 6 6 0 peak 470 ppm1 8.605 ppm2 8.604 volume 3.4657 assi ((( attr rmsd < 7.605) and (attr rmsd > 7.505)) and bondedto(attr rmsd < 67.289 and attr rmsd > 66.289)) ( attr rmsd < 7.608 and attr rmsd > 7.508) 6 6 0 peak 10471 ppm1 7.555 ppm2 7.558 volume 0.1746 assi ((( attr rmsd < 7.605) and (attr rmsd > 7.505)) and bondedto(attr rmsd < 19.769 and attr rmsd > 18.769)) ( attr rmsd < 7.608 and attr rmsd > 7.508) 6 6 0 peak 20471 ppm1 7.555 ppm2 7.558 volume 0.1746 assi ((( attr rmsd < 8.182) and (attr rmsd > 8.082)) and bondedto(attr rmsd < 43.460 and attr rmsd > 42.460)) ( attr rmsd < 8.183 and attr rmsd > 8.083) 6 6 0 peak 472 ppm1 8.132 ppm2 8.133 volume 4.5664 assi ((( attr rmsd < 8.871) and (attr rmsd > 8.771)) and bondedto(attr rmsd < 67.003 and attr rmsd > 66.003)) ( attr rmsd < 8.868 and attr rmsd > 8.768) 6 6 0 peak 10473 ppm1 8.821 ppm2 8.818 volume 0.6596 assi ((( attr rmsd < 8.871) and (attr rmsd > 8.771)) and bondedto(attr rmsd < 19.483 and attr rmsd > 18.483)) ( attr rmsd < 8.868 and attr rmsd > 8.768) 6 6 0 peak 20473 ppm1 8.821 ppm2 8.818 volume 0.6596 assi ((( attr rmsd < 6.896) and (attr rmsd > 6.796)) and bondedto(attr rmsd < 67.036 and attr rmsd > 66.036)) ( attr rmsd < 6.894 and attr rmsd > 6.794) 6 6 0 peak 10474 ppm1 6.846 ppm2 6.844 volume 0.3189 assi ((( attr rmsd < 6.896) and (attr rmsd > 6.796)) and bondedto(attr rmsd < 19.516 and attr rmsd > 18.516)) ( attr rmsd < 6.894 and attr rmsd > 6.794) 6 6 0 peak 20474 ppm1 6.846 ppm2 6.844 volume 0.3189 assi ((( attr rmsd < 8.264) and (attr rmsd > 8.164)) and bondedto(attr rmsd < 43.394 and attr rmsd > 42.394)) ( attr rmsd < 8.261 and attr rmsd > 8.161) 6 6 0 peak 475 ppm1 8.214 ppm2 8.211 volume 2.0362 assi ((( attr rmsd < 8.706) and (attr rmsd > 8.606)) and bondedto(attr rmsd < 66.811 and attr rmsd > 65.811)) ( attr rmsd < 8.707 and attr rmsd > 8.607) 6 6 0 peak 10476 ppm1 8.656 ppm2 8.657 volume 0.2138 assi ((( attr rmsd < 8.706) and (attr rmsd > 8.606)) and bondedto(attr rmsd < 19.291 and attr rmsd > 18.291)) ( attr rmsd < 8.707 and attr rmsd > 8.607) 6 6 0 peak 20476 ppm1 8.656 ppm2 8.657 volume 0.2138 assi ((( attr rmsd < 8.538) and (attr rmsd > 8.438)) and bondedto(attr rmsd < 66.800 and attr rmsd > 65.800)) ( attr rmsd < 7.930 and attr rmsd > 7.830) 6 6 0 peak 10477 ppm1 8.488 ppm2 7.880 volume 0.1485 assi ((( attr rmsd < 8.538) and (attr rmsd > 8.438)) and bondedto(attr rmsd < 19.280 and attr rmsd > 18.280)) ( attr rmsd < 7.930 and attr rmsd > 7.830) 6 6 0 peak 20477 ppm1 8.488 ppm2 7.880 volume 0.1485 assi ((( attr rmsd < 8.093) and (attr rmsd > 7.993)) and bondedto(attr rmsd < 66.837 and attr rmsd > 65.837)) ( attr rmsd < 7.984 and attr rmsd > 7.884) 6 6 0 peak 10478 ppm1 8.043 ppm2 7.934 volume 0.5573 assi ((( attr rmsd < 8.093) and (attr rmsd > 7.993)) and bondedto(attr rmsd < 19.317 and attr rmsd > 18.317)) ( attr rmsd < 7.984 and attr rmsd > 7.884) 6 6 0 peak 20478 ppm1 8.043 ppm2 7.934 volume 0.5573 assi ((( attr rmsd < 7.711) and (attr rmsd > 7.611)) and bondedto(attr rmsd < 66.886 and attr rmsd > 65.886)) ( attr rmsd < 7.599 and attr rmsd > 7.499) 6 6 0 peak 10479 ppm1 7.661 ppm2 7.549 volume 0.3253 assi ((( attr rmsd < 7.711) and (attr rmsd > 7.611)) and bondedto(attr rmsd < 19.366 and attr rmsd > 18.366)) ( attr rmsd < 7.599 and attr rmsd > 7.499) 6 6 0 peak 20479 ppm1 7.661 ppm2 7.549 volume 0.3253 assi ((( attr rmsd < 7.537) and (attr rmsd > 7.437)) and bondedto(attr rmsd < 66.865 and attr rmsd > 65.865)) ( attr rmsd < 7.537 and attr rmsd > 7.437) 6 6 0 peak 10480 ppm1 7.487 ppm2 7.487 volume 0.3816 assi ((( attr rmsd < 7.537) and (attr rmsd > 7.437)) and bondedto(attr rmsd < 19.345 and attr rmsd > 18.345)) ( attr rmsd < 7.537 and attr rmsd > 7.437) 6 6 0 peak 20480 ppm1 7.487 ppm2 7.487 volume 0.3816 assi ((( attr rmsd < 9.439) and (attr rmsd > 9.339)) and bondedto(attr rmsd < 43.165 and attr rmsd > 42.165)) ( attr rmsd < 9.440 and attr rmsd > 9.340) 6 6 0 peak 481 ppm1 9.389 ppm2 9.390 volume 3.2571 assi ((( attr rmsd < 9.213) and (attr rmsd > 9.113)) and bondedto(attr rmsd < 43.113 and attr rmsd > 42.113)) ( attr rmsd < 9.211 and attr rmsd > 9.111) 6 6 0 peak 482 ppm1 9.163 ppm2 9.161 volume 0.2153 assi ((( attr rmsd < 8.990) and (attr rmsd > 8.890)) and bondedto(attr rmsd < 43.182 and attr rmsd > 42.182)) ( attr rmsd < 8.472 and attr rmsd > 8.372) 6 6 0 peak 483 ppm1 8.940 ppm2 8.422 volume 0.6161 assi ((( attr rmsd < 8.992) and (attr rmsd > 8.892)) and bondedto(attr rmsd < 43.192 and attr rmsd > 42.192)) ( attr rmsd < 7.839 and attr rmsd > 7.739) 6 6 0 peak 484 ppm1 8.942 ppm2 7.789 volume 0.6139 assi ((( attr rmsd < 8.982) and (attr rmsd > 8.882)) and bondedto(attr rmsd < 43.058 and attr rmsd > 42.058)) ( attr rmsd < 8.980 and attr rmsd > 8.880) 6 6 0 peak 485 ppm1 8.932 ppm2 8.930 volume 4.7518 assi ((( attr rmsd < 8.455) and (attr rmsd > 8.355)) and bondedto(attr rmsd < 43.186 and attr rmsd > 42.186)) ( attr rmsd < 8.460 and attr rmsd > 8.360) 6 6 0 peak 486 ppm1 8.405 ppm2 8.410 volume 3.3710 assi ((( attr rmsd < 8.297) and (attr rmsd > 8.197)) and bondedto(attr rmsd < 43.044 and attr rmsd > 42.044)) ( attr rmsd < 7.931 and attr rmsd > 7.831) 6 6 0 peak 487 ppm1 8.247 ppm2 7.881 volume 0.2096 assi ((( attr rmsd < 8.092) and (attr rmsd > 7.992)) and bondedto(attr rmsd < 43.198 and attr rmsd > 42.198)) ( attr rmsd < 7.720 and attr rmsd > 7.620) 6 6 0 peak 488 ppm1 8.042 ppm2 7.670 volume 0.7292 assi ((( attr rmsd < 8.083) and (attr rmsd > 7.983)) and bondedto(attr rmsd < 43.202 and attr rmsd > 42.202)) ( attr rmsd < 7.305 and attr rmsd > 7.205) 6 6 0 peak 489 ppm1 8.033 ppm2 7.255 volume 0.1845 assi ((( attr rmsd < 7.717) and (attr rmsd > 7.617)) and bondedto(attr rmsd < 43.137 and attr rmsd > 42.137)) ( attr rmsd < 8.225 and attr rmsd > 8.125) 6 6 0 peak 490 ppm1 7.667 ppm2 8.175 volume 0.9520 assi ((( attr rmsd < 7.717) and (attr rmsd > 7.617)) and bondedto(attr rmsd < 43.134 and attr rmsd > 42.134)) ( attr rmsd < 7.722 and attr rmsd > 7.622) 6 6 0 peak 491 ppm1 7.667 ppm2 7.672 volume 4.4072 assi ((( attr rmsd < 7.566) and (attr rmsd > 7.466)) and bondedto(attr rmsd < 43.037 and attr rmsd > 42.037)) ( attr rmsd < 7.956 and attr rmsd > 7.856) 6 6 0 peak 492 ppm1 7.516 ppm2 7.906 volume 0.2168 assi ((( attr rmsd < 8.659) and (attr rmsd > 8.559)) and bondedto(attr rmsd < 66.628 and attr rmsd > 65.628)) ( attr rmsd < 8.662 and attr rmsd > 8.562) 6 6 0 peak 10493 ppm1 8.609 ppm2 8.612 volume 0.3507 assi ((( attr rmsd < 8.659) and (attr rmsd > 8.559)) and bondedto(attr rmsd < 19.108 and attr rmsd > 18.108)) ( attr rmsd < 8.662 and attr rmsd > 8.562) 6 6 0 peak 20493 ppm1 8.609 ppm2 8.612 volume 0.3507 assi ((( attr rmsd < 8.571) and (attr rmsd > 8.471)) and bondedto(attr rmsd < 66.763 and attr rmsd > 65.763)) ( attr rmsd < 7.961 and attr rmsd > 7.861) 6 6 0 peak 10494 ppm1 8.521 ppm2 7.911 volume 0.1883 assi ((( attr rmsd < 8.571) and (attr rmsd > 8.471)) and bondedto(attr rmsd < 19.243 and attr rmsd > 18.243)) ( attr rmsd < 7.961 and attr rmsd > 7.861) 6 6 0 peak 20494 ppm1 8.521 ppm2 7.911 volume 0.1883 assi ((( attr rmsd < 8.394) and (attr rmsd > 8.294)) and bondedto(attr rmsd < 66.756 and attr rmsd > 65.756)) ( attr rmsd < 7.958 and attr rmsd > 7.858) 6 6 0 peak 10495 ppm1 8.344 ppm2 7.908 volume 0.3829 assi ((( attr rmsd < 8.394) and (attr rmsd > 8.294)) and bondedto(attr rmsd < 19.236 and attr rmsd > 18.236)) ( attr rmsd < 7.958 and attr rmsd > 7.858) 6 6 0 peak 20495 ppm1 8.344 ppm2 7.908 volume 0.3829 assi ((( attr rmsd < 7.837) and (attr rmsd > 7.737)) and bondedto(attr rmsd < 66.770 and attr rmsd > 65.770)) ( attr rmsd < 7.839 and attr rmsd > 7.739) 6 6 0 peak 10496 ppm1 7.787 ppm2 7.789 volume 0.1710 assi ((( attr rmsd < 7.837) and (attr rmsd > 7.737)) and bondedto(attr rmsd < 19.250 and attr rmsd > 18.250)) ( attr rmsd < 7.839 and attr rmsd > 7.739) 6 6 0 peak 20496 ppm1 7.787 ppm2 7.789 volume 0.1710 assi ((( attr rmsd < 7.509) and (attr rmsd > 7.409)) and bondedto(attr rmsd < 66.701 and attr rmsd > 65.701)) ( attr rmsd < 7.958 and attr rmsd > 7.858) 6 6 0 peak 10497 ppm1 7.459 ppm2 7.908 volume 0.3491 assi ((( attr rmsd < 7.509) and (attr rmsd > 7.409)) and bondedto(attr rmsd < 19.181 and attr rmsd > 18.181)) ( attr rmsd < 7.958 and attr rmsd > 7.858) 6 6 0 peak 20497 ppm1 7.459 ppm2 7.908 volume 0.3491 assi ((( attr rmsd < 7.470) and (attr rmsd > 7.370)) and bondedto(attr rmsd < 66.775 and attr rmsd > 65.775)) ( attr rmsd < 7.927 and attr rmsd > 7.827) 6 6 0 peak 10498 ppm1 7.420 ppm2 7.877 volume 0.2949 assi ((( attr rmsd < 7.470) and (attr rmsd > 7.370)) and bondedto(attr rmsd < 19.255 and attr rmsd > 18.255)) ( attr rmsd < 7.927 and attr rmsd > 7.827) 6 6 0 peak 20498 ppm1 7.420 ppm2 7.877 volume 0.2949 assi ((( attr rmsd < 7.343) and (attr rmsd > 7.243)) and bondedto(attr rmsd < 66.672 and attr rmsd > 65.672)) ( attr rmsd < 7.938 and attr rmsd > 7.838) 6 6 0 peak 10499 ppm1 7.293 ppm2 7.888 volume 0.1588 assi ((( attr rmsd < 7.343) and (attr rmsd > 7.243)) and bondedto(attr rmsd < 19.152 and attr rmsd > 18.152)) ( attr rmsd < 7.938 and attr rmsd > 7.838) 6 6 0 peak 20499 ppm1 7.293 ppm2 7.888 volume 0.1588 assi ((( attr rmsd < 9.111) and (attr rmsd > 9.011)) and bondedto(attr rmsd < 42.908 and attr rmsd > 41.908)) ( attr rmsd < 9.533 and attr rmsd > 9.433) 6 6 0 peak 500 ppm1 9.061 ppm2 9.483 volume 0.1911 assi ((( attr rmsd < 9.117) and (attr rmsd > 9.017)) and bondedto(attr rmsd < 42.926 and attr rmsd > 41.926)) ( attr rmsd < 9.118 and attr rmsd > 9.018) 6 6 0 peak 501 ppm1 9.067 ppm2 9.068 volume 2.1793 assi ((( attr rmsd < 8.442) and (attr rmsd > 8.342)) and bondedto(attr rmsd < 42.891 and attr rmsd > 41.891)) ( attr rmsd < 8.941 and attr rmsd > 8.841) 6 6 0 peak 502 ppm1 8.392 ppm2 8.891 volume 0.1985 assi ((( attr rmsd < 8.330) and (attr rmsd > 8.230)) and bondedto(attr rmsd < 42.982 and attr rmsd > 41.982)) ( attr rmsd < 9.301 and attr rmsd > 9.201) 6 6 0 peak 503 ppm1 8.280 ppm2 9.251 volume 0.5995 assi ((( attr rmsd < 8.327) and (attr rmsd > 8.227)) and bondedto(attr rmsd < 42.897 and attr rmsd > 41.897)) ( attr rmsd < 9.015 and attr rmsd > 8.915) 6 6 0 peak 504 ppm1 8.277 ppm2 8.965 volume 0.1565 assi ((( attr rmsd < 8.316) and (attr rmsd > 8.216)) and bondedto(attr rmsd < 42.895 and attr rmsd > 41.895)) ( attr rmsd < 8.318 and attr rmsd > 8.218) 6 6 0 peak 505 ppm1 8.266 ppm2 8.268 volume 6.6446 assi ((( attr rmsd < 8.185) and (attr rmsd > 8.085)) and bondedto(attr rmsd < 42.950 and attr rmsd > 41.950)) ( attr rmsd < 7.949 and attr rmsd > 7.849) 6 6 0 peak 506 ppm1 8.135 ppm2 7.899 volume 0.5868 assi ((( attr rmsd < 7.747) and (attr rmsd > 7.647)) and bondedto(attr rmsd < 43.002 and attr rmsd > 42.002)) ( attr rmsd < 7.960 and attr rmsd > 7.860) 6 6 0 peak 507 ppm1 7.697 ppm2 7.910 volume 0.6379 assi ((( attr rmsd < 8.129) and (attr rmsd > 8.029)) and bondedto(attr rmsd < 66.479 and attr rmsd > 65.479)) ( attr rmsd < 8.022 and attr rmsd > 7.922) 6 6 0 peak 10508 ppm1 8.079 ppm2 7.972 volume 0.8433 assi ((( attr rmsd < 8.129) and (attr rmsd > 8.029)) and bondedto(attr rmsd < 18.959 and attr rmsd > 17.959)) ( attr rmsd < 8.022 and attr rmsd > 7.922) 6 6 0 peak 20508 ppm1 8.079 ppm2 7.972 volume 0.8433 assi ((( attr rmsd < 7.932) and (attr rmsd > 7.832)) and bondedto(attr rmsd < 66.580 and attr rmsd > 65.580)) ( attr rmsd < 7.824 and attr rmsd > 7.724) 6 6 0 peak 10509 ppm1 7.882 ppm2 7.774 volume 0.9968 assi ((( attr rmsd < 7.932) and (attr rmsd > 7.832)) and bondedto(attr rmsd < 19.060 and attr rmsd > 18.060)) ( attr rmsd < 7.824 and attr rmsd > 7.724) 6 6 0 peak 20509 ppm1 7.882 ppm2 7.774 volume 0.9968 assi ((( attr rmsd < 7.818) and (attr rmsd > 7.718)) and bondedto(attr rmsd < 66.515 and attr rmsd > 65.515)) ( attr rmsd < 7.920 and attr rmsd > 7.820) 6 6 0 peak 10510 ppm1 7.768 ppm2 7.870 volume 0.1558 assi ((( attr rmsd < 7.818) and (attr rmsd > 7.718)) and bondedto(attr rmsd < 18.995 and attr rmsd > 17.995)) ( attr rmsd < 7.920 and attr rmsd > 7.820) 6 6 0 peak 20510 ppm1 7.768 ppm2 7.870 volume 0.1558 assi ((( attr rmsd < 8.440) and (attr rmsd > 8.340)) and bondedto(attr rmsd < 42.817 and attr rmsd > 41.817)) ( attr rmsd < 8.144 and attr rmsd > 8.044) 6 6 0 peak 511 ppm1 8.390 ppm2 8.094 volume 0.1919 assi ((( attr rmsd < 8.299) and (attr rmsd > 8.199)) and bondedto(attr rmsd < 42.762 and attr rmsd > 41.762)) ( attr rmsd < 7.541 and attr rmsd > 7.441) 6 6 0 peak 512 ppm1 8.249 ppm2 7.491 volume 0.6013 assi ((( attr rmsd < 8.144) and (attr rmsd > 8.044)) and bondedto(attr rmsd < 42.759 and attr rmsd > 41.759)) ( attr rmsd < 8.443 and attr rmsd > 8.343) 6 6 0 peak 513 ppm1 8.094 ppm2 8.393 volume 0.1995 assi ((( attr rmsd < 8.125) and (attr rmsd > 8.025)) and bondedto(attr rmsd < 42.749 and attr rmsd > 41.749)) ( attr rmsd < 8.271 and attr rmsd > 8.171) 6 6 0 peak 514 ppm1 8.075 ppm2 8.221 volume 0.1900 assi ((( attr rmsd < 8.125) and (attr rmsd > 8.025)) and bondedto(attr rmsd < 42.752 and attr rmsd > 41.752)) ( attr rmsd < 8.133 and attr rmsd > 8.033) 6 6 0 peak 515 ppm1 8.075 ppm2 8.083 volume 9.2253 assi ((( attr rmsd < 8.128) and (attr rmsd > 8.028)) and bondedto(attr rmsd < 42.779 and attr rmsd > 41.779)) ( attr rmsd < 7.598 and attr rmsd > 7.498) 6 6 0 peak 516 ppm1 8.078 ppm2 7.548 volume 0.6698 assi ((( attr rmsd < 7.939) and (attr rmsd > 7.839)) and bondedto(attr rmsd < 42.708 and attr rmsd > 41.708)) ( attr rmsd < 8.256 and attr rmsd > 8.156) 6 6 0 peak 517 ppm1 7.889 ppm2 8.206 volume 0.6989 assi ((( attr rmsd < 7.943) and (attr rmsd > 7.843)) and bondedto(attr rmsd < 42.691 and attr rmsd > 41.691)) ( attr rmsd < 7.318 and attr rmsd > 7.218) 6 6 0 peak 518 ppm1 7.893 ppm2 7.268 volume 0.3744 assi ((( attr rmsd < 7.924) and (attr rmsd > 7.824)) and bondedto(attr rmsd < 42.810 and attr rmsd > 41.810)) ( attr rmsd < 7.929 and attr rmsd > 7.829) 6 6 0 peak 519 ppm1 7.874 ppm2 7.879 volume 11.1279 assi ((( attr rmsd < 7.911) and (attr rmsd > 7.811)) and bondedto(attr rmsd < 42.769 and attr rmsd > 41.769)) ( attr rmsd < 8.150 and attr rmsd > 8.050) 6 6 0 peak 520 ppm1 7.861 ppm2 8.100 volume 0.9526 assi ((( attr rmsd < 7.849) and (attr rmsd > 7.749)) and bondedto(attr rmsd < 42.787 and attr rmsd > 41.787)) ( attr rmsd < 7.631 and attr rmsd > 7.531) 6 6 0 peak 521 ppm1 7.799 ppm2 7.581 volume 0.1642 assi ((( attr rmsd < 7.626) and (attr rmsd > 7.526)) and bondedto(attr rmsd < 42.760 and attr rmsd > 41.760)) ( attr rmsd < 7.631 and attr rmsd > 7.531) 6 6 0 peak 522 ppm1 7.576 ppm2 7.581 volume 1.2581 assi ((( attr rmsd < 7.415) and (attr rmsd > 7.315)) and bondedto(attr rmsd < 42.735 and attr rmsd > 41.735)) ( attr rmsd < 7.624 and attr rmsd > 7.524) 6 6 0 peak 523 ppm1 7.365 ppm2 7.574 volume 0.2065 assi ((( attr rmsd < 8.043) and (attr rmsd > 7.943)) and bondedto(attr rmsd < 66.334 and attr rmsd > 65.334)) ( attr rmsd < 8.038 and attr rmsd > 7.938) 6 6 0 peak 10524 ppm1 7.993 ppm2 7.988 volume 0.2172 assi ((( attr rmsd < 8.043) and (attr rmsd > 7.943)) and bondedto(attr rmsd < 18.814 and attr rmsd > 17.814)) ( attr rmsd < 8.038 and attr rmsd > 7.938) 6 6 0 peak 20524 ppm1 7.993 ppm2 7.988 volume 0.2172 assi ((( attr rmsd < 7.592) and (attr rmsd > 7.492)) and bondedto(attr rmsd < 66.403 and attr rmsd > 65.403)) ( attr rmsd < 8.129 and attr rmsd > 8.029) 6 6 0 peak 10525 ppm1 7.542 ppm2 8.079 volume 0.1737 assi ((( attr rmsd < 7.592) and (attr rmsd > 7.492)) and bondedto(attr rmsd < 18.883 and attr rmsd > 17.883)) ( attr rmsd < 8.129 and attr rmsd > 8.029) 6 6 0 peak 20525 ppm1 7.542 ppm2 8.079 volume 0.1737 assi ((( attr rmsd < 8.587) and (attr rmsd > 8.487)) and bondedto(attr rmsd < 42.655 and attr rmsd > 41.655)) ( attr rmsd < 8.583 and attr rmsd > 8.483) 6 6 0 peak 526 ppm1 8.537 ppm2 8.533 volume 0.4715 assi ((( attr rmsd < 8.346) and (attr rmsd > 8.246)) and bondedto(attr rmsd < 42.489 and attr rmsd > 41.489)) ( attr rmsd < 8.131 and attr rmsd > 8.031) 6 6 0 peak 527 ppm1 8.296 ppm2 8.081 volume 0.2095 assi ((( attr rmsd < 9.442) and (attr rmsd > 9.342)) and bondedto(attr rmsd < 66.115 and attr rmsd > 65.115)) ( attr rmsd < 9.446 and attr rmsd > 9.346) 6 6 0 peak 10528 ppm1 9.392 ppm2 9.396 volume 0.3886 assi ((( attr rmsd < 9.442) and (attr rmsd > 9.342)) and bondedto(attr rmsd < 18.595 and attr rmsd > 17.595)) ( attr rmsd < 9.446 and attr rmsd > 9.346) 6 6 0 peak 20528 ppm1 9.392 ppm2 9.396 volume 0.3886 assi ((( attr rmsd < 8.993) and (attr rmsd > 8.893)) and bondedto(attr rmsd < 66.103 and attr rmsd > 65.103)) ( attr rmsd < 8.984 and attr rmsd > 8.884) 6 6 0 peak 10529 ppm1 8.943 ppm2 8.934 volume 0.3469 assi ((( attr rmsd < 8.993) and (attr rmsd > 8.893)) and bondedto(attr rmsd < 18.583 and attr rmsd > 17.583)) ( attr rmsd < 8.984 and attr rmsd > 8.884) 6 6 0 peak 20529 ppm1 8.943 ppm2 8.934 volume 0.3469 assi ((( attr rmsd < 8.068) and (attr rmsd > 7.968)) and bondedto(attr rmsd < 66.166 and attr rmsd > 65.166)) ( attr rmsd < 8.063 and attr rmsd > 7.963) 6 6 0 peak 10530 ppm1 8.018 ppm2 8.013 volume 0.3148 assi ((( attr rmsd < 8.068) and (attr rmsd > 7.968)) and bondedto(attr rmsd < 18.646 and attr rmsd > 17.646)) ( attr rmsd < 8.063 and attr rmsd > 7.963) 6 6 0 peak 20530 ppm1 8.018 ppm2 8.013 volume 0.3148 assi ((( attr rmsd < 7.717) and (attr rmsd > 7.617)) and bondedto(attr rmsd < 66.082 and attr rmsd > 65.082)) ( attr rmsd < 7.721 and attr rmsd > 7.621) 6 6 0 peak 10531 ppm1 7.667 ppm2 7.671 volume 0.5056 assi ((( attr rmsd < 7.717) and (attr rmsd > 7.617)) and bondedto(attr rmsd < 18.562 and attr rmsd > 17.562)) ( attr rmsd < 7.721 and attr rmsd > 7.621) 6 6 0 peak 20531 ppm1 7.667 ppm2 7.671 volume 0.5056 assi ((( attr rmsd < 9.045) and (attr rmsd > 8.945)) and bondedto(attr rmsd < 42.339 and attr rmsd > 41.339)) ( attr rmsd < 9.046 and attr rmsd > 8.946) 6 6 0 peak 532 ppm1 8.995 ppm2 8.996 volume 2.8785 assi ((( attr rmsd < 8.878) and (attr rmsd > 8.778)) and bondedto(attr rmsd < 42.339 and attr rmsd > 41.339)) ( attr rmsd < 9.169 and attr rmsd > 9.069) 6 6 0 peak 533 ppm1 8.828 ppm2 9.119 volume 0.2339 assi ((( attr rmsd < 8.864) and (attr rmsd > 8.764)) and bondedto(attr rmsd < 42.421 and attr rmsd > 41.421)) ( attr rmsd < 8.867 and attr rmsd > 8.767) 6 6 0 peak 534 ppm1 8.814 ppm2 8.817 volume 5.5529 assi ((( attr rmsd < 6.887) and (attr rmsd > 6.787)) and bondedto(attr rmsd < 42.454 and attr rmsd > 41.454)) ( attr rmsd < 8.985 and attr rmsd > 8.885) 6 6 0 peak 535 ppm1 6.837 ppm2 8.935 volume 0.6366 assi ((( attr rmsd < 6.891) and (attr rmsd > 6.791)) and bondedto(attr rmsd < 42.450 and attr rmsd > 41.450)) ( attr rmsd < 8.256 and attr rmsd > 8.156) 6 6 0 peak 536 ppm1 6.841 ppm2 8.206 volume 0.7151 assi ((( attr rmsd < 6.890) and (attr rmsd > 6.790)) and bondedto(attr rmsd < 42.453 and attr rmsd > 41.453)) ( attr rmsd < 6.895 and attr rmsd > 6.795) 6 6 0 peak 537 ppm1 6.840 ppm2 6.845 volume 3.3516 assi ((( attr rmsd < 9.115) and (attr rmsd > 9.015)) and bondedto(attr rmsd < 65.877 and attr rmsd > 64.877)) ( attr rmsd < 9.130 and attr rmsd > 9.030) 6 6 0 peak 10538 ppm1 9.065 ppm2 9.080 volume 0.2153 assi ((( attr rmsd < 9.115) and (attr rmsd > 9.015)) and bondedto(attr rmsd < 18.357 and attr rmsd > 17.357)) ( attr rmsd < 9.130 and attr rmsd > 9.030) 6 6 0 peak 20538 ppm1 9.065 ppm2 9.080 volume 0.2153 assi ((( attr rmsd < 8.513) and (attr rmsd > 8.413)) and bondedto(attr rmsd < 42.250 and attr rmsd > 41.250)) ( attr rmsd < 8.888 and attr rmsd > 8.788) 6 6 0 peak 539 ppm1 8.463 ppm2 8.838 volume 0.1719 assi ((( attr rmsd < 7.852) and (attr rmsd > 7.752)) and bondedto(attr rmsd < 42.128 and attr rmsd > 41.128)) ( attr rmsd < 8.140 and attr rmsd > 8.040) 6 6 0 peak 540 ppm1 7.802 ppm2 8.090 volume 0.2010 assi ((( attr rmsd < 7.847) and (attr rmsd > 7.747)) and bondedto(attr rmsd < 42.190 and attr rmsd > 41.190)) ( attr rmsd < 7.849 and attr rmsd > 7.749) 6 6 0 peak 541 ppm1 7.797 ppm2 7.799 volume 2.7365 assi ((( attr rmsd < 7.538) and (attr rmsd > 7.438)) and bondedto(attr rmsd < 42.275 and attr rmsd > 41.275)) ( attr rmsd < 8.302 and attr rmsd > 8.202) 6 6 0 peak 542 ppm1 7.488 ppm2 8.252 volume 0.6863 assi ((( attr rmsd < 7.536) and (attr rmsd > 7.436)) and bondedto(attr rmsd < 42.282 and attr rmsd > 41.282)) ( attr rmsd < 7.837 and attr rmsd > 7.737) 6 6 0 peak 543 ppm1 7.486 ppm2 7.787 volume 0.6777 assi ((( attr rmsd < 7.534) and (attr rmsd > 7.434)) and bondedto(attr rmsd < 42.276 and attr rmsd > 41.276)) ( attr rmsd < 7.536 and attr rmsd > 7.436) 6 6 0 peak 544 ppm1 7.484 ppm2 7.486 volume 4.5775 assi ((( attr rmsd < 7.930) and (attr rmsd > 7.830)) and bondedto(attr rmsd < 65.710 and attr rmsd > 64.710)) ( attr rmsd < 7.931 and attr rmsd > 7.831) 6 6 0 peak 10545 ppm1 7.880 ppm2 7.881 volume 1.0192 assi ((( attr rmsd < 7.930) and (attr rmsd > 7.830)) and bondedto(attr rmsd < 18.190 and attr rmsd > 17.190)) ( attr rmsd < 7.931 and attr rmsd > 7.831) 6 6 0 peak 20545 ppm1 7.880 ppm2 7.881 volume 1.0192 assi ((( attr rmsd < 9.184) and (attr rmsd > 9.084)) and bondedto(attr rmsd < 42.040 and attr rmsd > 41.040)) ( attr rmsd < 9.187 and attr rmsd > 9.087) 6 6 0 peak 546 ppm1 9.134 ppm2 9.137 volume 2.6061 assi ((( attr rmsd < 9.187) and (attr rmsd > 9.087)) ( attr rmsd < 6.990 and attr rmsd > 6.890) 6 6 0 peak 547 ppm1 9.137 ppm2 6.940 volume 0.1596 assi ((( attr rmsd < 9.187) and (attr rmsd > 9.087)) and bondedto(attr rmsd < 42.062 and attr rmsd > 41.062)) ( attr rmsd < 6.990 and attr rmsd > 6.890) 6 6 0 peak 547 ppm1 9.137 ppm2 6.940 volume 0.1596 assi ((( attr rmsd < 8.731) and (attr rmsd > 8.631)) and bondedto(attr rmsd < 41.977 and attr rmsd > 40.977)) ( attr rmsd < 8.732 and attr rmsd > 8.632) 6 6 0 peak 548 ppm1 8.681 ppm2 8.682 volume 0.5285 assi ((( attr rmsd < 8.460) and (attr rmsd > 8.360)) and bondedto(attr rmsd < 42.089 and attr rmsd > 41.089)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 549 ppm1 8.410 ppm2 8.413 volume 4.5128 assi ((( attr rmsd < 8.392) and (attr rmsd > 8.292)) and bondedto(attr rmsd < 41.951 and attr rmsd > 40.951)) ( attr rmsd < 8.395 and attr rmsd > 8.295) 6 6 0 peak 550 ppm1 8.342 ppm2 8.345 volume 4.6371 assi ((( attr rmsd < 8.252) and (attr rmsd > 8.152)) and bondedto(attr rmsd < 41.939 and attr rmsd > 40.939)) ( attr rmsd < 7.598 and attr rmsd > 7.498) 6 6 0 peak 551 ppm1 8.202 ppm2 7.548 volume 0.5454 assi ((( attr rmsd < 8.009) and (attr rmsd > 7.909)) and bondedto(attr rmsd < 41.943 and attr rmsd > 40.943)) ( attr rmsd < 8.154 and attr rmsd > 8.054) 6 6 0 peak 552 ppm1 7.959 ppm2 8.104 volume 0.1953 assi ((( attr rmsd < 7.997) and (attr rmsd > 7.897)) and bondedto(attr rmsd < 42.020 and attr rmsd > 41.020)) ( attr rmsd < 7.883 and attr rmsd > 7.783) 6 6 0 peak 553 ppm1 7.947 ppm2 7.833 volume 0.2234 assi ((( attr rmsd < 8.022) and (attr rmsd > 7.922)) and bondedto(attr rmsd < 65.515 and attr rmsd > 64.515)) ( attr rmsd < 7.823 and attr rmsd > 7.723) 6 6 0 peak 10554 ppm1 7.972 ppm2 7.773 volume 0.1850 assi ((( attr rmsd < 8.022) and (attr rmsd > 7.922)) and bondedto(attr rmsd < 17.995 and attr rmsd > 16.995)) ( attr rmsd < 7.823 and attr rmsd > 7.723) 6 6 0 peak 20554 ppm1 7.972 ppm2 7.773 volume 0.1850 assi ((( attr rmsd < 7.865) and (attr rmsd > 7.765)) and bondedto(attr rmsd < 65.548 and attr rmsd > 64.548)) ( attr rmsd < 8.032 and attr rmsd > 7.932) 6 6 0 peak 10555 ppm1 7.815 ppm2 7.982 volume 0.1737 assi ((( attr rmsd < 7.865) and (attr rmsd > 7.765)) and bondedto(attr rmsd < 18.028 and attr rmsd > 17.028)) ( attr rmsd < 8.032 and attr rmsd > 7.932) 6 6 0 peak 20555 ppm1 7.815 ppm2 7.982 volume 0.1737 assi ((( attr rmsd < 8.031) and (attr rmsd > 7.931)) and bondedto(attr rmsd < 41.747 and attr rmsd > 40.747)) ( attr rmsd < 8.037 and attr rmsd > 7.937) 6 6 0 peak 556 ppm1 7.981 ppm2 7.987 volume 6.5847 assi ((( attr rmsd < 7.594) and (attr rmsd > 7.494)) and bondedto(attr rmsd < 41.835 and attr rmsd > 40.835)) ( attr rmsd < 8.261 and attr rmsd > 8.161) 6 6 0 peak 557 ppm1 7.544 ppm2 8.211 volume 0.5895 assi ((( attr rmsd < 7.594) and (attr rmsd > 7.494)) and bondedto(attr rmsd < 41.827 and attr rmsd > 40.827)) ( attr rmsd < 7.598 and attr rmsd > 7.498) 6 6 0 peak 558 ppm1 7.544 ppm2 7.548 volume 4.9410 assi ((( attr rmsd < 7.589) and (attr rmsd > 7.489)) and bondedto(attr rmsd < 41.835 and attr rmsd > 40.835)) ( attr rmsd < 8.123 and attr rmsd > 8.023) 6 6 0 peak 559 ppm1 7.539 ppm2 8.073 volume 0.7974 assi ((( attr rmsd < 8.866) and (attr rmsd > 8.766)) and bondedto(attr rmsd < 65.337 and attr rmsd > 64.337)) ( attr rmsd < 8.867 and attr rmsd > 8.767) 6 6 0 peak 10560 ppm1 8.816 ppm2 8.817 volume 0.6449 assi ((( attr rmsd < 8.866) and (attr rmsd > 8.766)) and bondedto(attr rmsd < 17.817 and attr rmsd > 16.817)) ( attr rmsd < 8.867 and attr rmsd > 8.767) 6 6 0 peak 20560 ppm1 8.816 ppm2 8.817 volume 0.6449 assi ((( attr rmsd < 6.892) and (attr rmsd > 6.792)) and bondedto(attr rmsd < 65.398 and attr rmsd > 64.398)) ( attr rmsd < 6.895 and attr rmsd > 6.795) 6 6 0 peak 10561 ppm1 6.842 ppm2 6.845 volume 0.4327 assi ((( attr rmsd < 6.892) and (attr rmsd > 6.792)) and bondedto(attr rmsd < 17.878 and attr rmsd > 16.878)) ( attr rmsd < 6.895 and attr rmsd > 6.795) 6 6 0 peak 20561 ppm1 6.842 ppm2 6.845 volume 0.4327 assi ((( attr rmsd < 8.981) and (attr rmsd > 8.881)) and bondedto(attr rmsd < 41.638 and attr rmsd > 40.638)) ( attr rmsd < 8.981 and attr rmsd > 8.881) 6 6 0 peak 562 ppm1 8.931 ppm2 8.931 volume 2.9941 assi ((( attr rmsd < 8.985) and (attr rmsd > 8.885)) and bondedto(attr rmsd < 41.643 and attr rmsd > 40.643)) ( attr rmsd < 6.890 and attr rmsd > 6.790) 6 6 0 peak 563 ppm1 8.935 ppm2 6.840 volume 0.6756 assi ((( attr rmsd < 8.226) and (attr rmsd > 8.126)) and bondedto(attr rmsd < 41.578 and attr rmsd > 40.578)) ( attr rmsd < 8.228 and attr rmsd > 8.128) 6 6 0 peak 564 ppm1 8.176 ppm2 8.178 volume 5.1349 assi ((( attr rmsd < 9.294) and (attr rmsd > 9.194)) and bondedto(attr rmsd < 65.261 and attr rmsd > 64.261)) ( attr rmsd < 9.294 and attr rmsd > 9.194) 6 6 0 peak 10565 ppm1 9.244 ppm2 9.244 volume 0.1793 assi ((( attr rmsd < 9.294) and (attr rmsd > 9.194)) and bondedto(attr rmsd < 17.741 and attr rmsd > 16.741)) ( attr rmsd < 9.294 and attr rmsd > 9.194) 6 6 0 peak 20565 ppm1 9.244 ppm2 9.244 volume 0.1793 assi ((( attr rmsd < 8.505) and (attr rmsd > 8.405)) and bondedto(attr rmsd < 65.225 and attr rmsd > 64.225)) ( attr rmsd < 8.504 and attr rmsd > 8.404) 6 6 0 peak 10566 ppm1 8.455 ppm2 8.454 volume 0.2355 assi ((( attr rmsd < 8.505) and (attr rmsd > 8.405)) and bondedto(attr rmsd < 17.705 and attr rmsd > 16.705)) ( attr rmsd < 8.504 and attr rmsd > 8.404) 6 6 0 peak 20566 ppm1 8.455 ppm2 8.454 volume 0.2355 assi ((( attr rmsd < 7.843) and (attr rmsd > 7.743)) and bondedto(attr rmsd < 65.134 and attr rmsd > 64.134)) ( attr rmsd < 7.846 and attr rmsd > 7.746) 6 6 0 peak 10567 ppm1 7.793 ppm2 7.796 volume 0.7448 assi ((( attr rmsd < 7.843) and (attr rmsd > 7.743)) and bondedto(attr rmsd < 17.614 and attr rmsd > 16.614)) ( attr rmsd < 7.846 and attr rmsd > 7.746) 6 6 0 peak 20567 ppm1 7.793 ppm2 7.796 volume 0.7448 assi ((( attr rmsd < 7.533) and (attr rmsd > 7.433)) and bondedto(attr rmsd < 65.209 and attr rmsd > 64.209)) ( attr rmsd < 7.533 and attr rmsd > 7.433) 6 6 0 peak 10568 ppm1 7.483 ppm2 7.483 volume 0.5439 assi ((( attr rmsd < 7.533) and (attr rmsd > 7.433)) and bondedto(attr rmsd < 17.689 and attr rmsd > 16.689)) ( attr rmsd < 7.533 and attr rmsd > 7.433) 6 6 0 peak 20568 ppm1 7.483 ppm2 7.483 volume 0.5439 assi ((( attr rmsd < 8.218) and (attr rmsd > 8.118)) and bondedto(attr rmsd < 41.507 and attr rmsd > 40.507)) ( attr rmsd < 7.721 and attr rmsd > 7.621) 6 6 0 peak 569 ppm1 8.168 ppm2 7.671 volume 0.9078 assi ((( attr rmsd < 8.216) and (attr rmsd > 8.116)) and bondedto(attr rmsd < 41.528 and attr rmsd > 40.528)) ( attr rmsd < 9.485 and attr rmsd > 9.385) 6 6 0 peak 570 ppm1 8.166 ppm2 9.435 volume 0.4210 assi ((( attr rmsd < 8.150) and (attr rmsd > 8.050)) and bondedto(attr rmsd < 41.404 and attr rmsd > 40.404)) ( attr rmsd < 8.148 and attr rmsd > 8.048) 6 6 0 peak 571 ppm1 8.100 ppm2 8.098 volume 4.2779 assi ((( attr rmsd < 8.150) and (attr rmsd > 8.050)) and bondedto(attr rmsd < 41.416 and attr rmsd > 40.416)) ( attr rmsd < 7.910 and attr rmsd > 7.810) 6 6 0 peak 572 ppm1 8.100 ppm2 7.860 volume 0.5340 assi ((( attr rmsd < 8.074) and (attr rmsd > 7.974)) ( attr rmsd < 6.990 and attr rmsd > 6.890) 6 6 0 peak 573 ppm1 8.024 ppm2 6.940 volume 0.2963 assi ((( attr rmsd < 8.074) and (attr rmsd > 7.974)) and bondedto(attr rmsd < 41.505 and attr rmsd > 40.505)) ( attr rmsd < 6.990 and attr rmsd > 6.890) 6 6 0 peak 573 ppm1 8.024 ppm2 6.940 volume 0.2963 assi ((( attr rmsd < 9.488) and (attr rmsd > 9.388)) and bondedto(attr rmsd < 64.994 and attr rmsd > 63.994)) ( attr rmsd < 9.492 and attr rmsd > 9.392) 6 6 0 peak 10574 ppm1 9.438 ppm2 9.442 volume 0.3358 assi ((( attr rmsd < 9.488) and (attr rmsd > 9.388)) and bondedto(attr rmsd < 17.474 and attr rmsd > 16.474)) ( attr rmsd < 9.492 and attr rmsd > 9.392) 6 6 0 peak 20574 ppm1 9.438 ppm2 9.442 volume 0.3358 assi ((( attr rmsd < 9.187) and (attr rmsd > 9.087)) and bondedto(attr rmsd < 64.986 and attr rmsd > 63.986)) ( attr rmsd < 9.186 and attr rmsd > 9.086) 6 6 0 peak 10575 ppm1 9.137 ppm2 9.136 volume 0.3118 assi ((( attr rmsd < 9.187) and (attr rmsd > 9.087)) and bondedto(attr rmsd < 17.466 and attr rmsd > 16.466)) ( attr rmsd < 9.186 and attr rmsd > 9.086) 6 6 0 peak 20575 ppm1 9.137 ppm2 9.136 volume 0.3118 assi ((( attr rmsd < 8.459) and (attr rmsd > 8.359)) and bondedto(attr rmsd < 65.050 and attr rmsd > 64.050)) ( attr rmsd < 8.460 and attr rmsd > 8.360) 6 6 0 peak 10576 ppm1 8.409 ppm2 8.410 volume 0.5645 assi ((( attr rmsd < 8.459) and (attr rmsd > 8.359)) and bondedto(attr rmsd < 17.530 and attr rmsd > 16.530)) ( attr rmsd < 8.460 and attr rmsd > 8.360) 6 6 0 peak 20576 ppm1 8.409 ppm2 8.410 volume 0.5645 assi ((( attr rmsd < 8.394) and (attr rmsd > 8.294)) and bondedto(attr rmsd < 64.893 and attr rmsd > 63.893)) ( attr rmsd < 8.396 and attr rmsd > 8.296) 6 6 0 peak 10577 ppm1 8.344 ppm2 8.346 volume 0.5081 assi ((( attr rmsd < 8.394) and (attr rmsd > 8.294)) and bondedto(attr rmsd < 17.373 and attr rmsd > 16.373)) ( attr rmsd < 8.396 and attr rmsd > 8.296) 6 6 0 peak 20577 ppm1 8.344 ppm2 8.346 volume 0.5081 assi ((( attr rmsd < 8.007) and (attr rmsd > 7.907)) and bondedto(attr rmsd < 64.789 and attr rmsd > 63.789)) ( attr rmsd < 8.007 and attr rmsd > 7.907) 6 6 0 peak 10578 ppm1 7.957 ppm2 7.957 volume 0.6304 assi ((( attr rmsd < 8.007) and (attr rmsd > 7.907)) and bondedto(attr rmsd < 17.269 and attr rmsd > 16.269)) ( attr rmsd < 8.007 and attr rmsd > 7.907) 6 6 0 peak 20578 ppm1 7.957 ppm2 7.957 volume 0.6304 assi ((( attr rmsd < 7.925) and (attr rmsd > 7.825)) and bondedto(attr rmsd < 64.878 and attr rmsd > 63.878)) ( attr rmsd < 7.930 and attr rmsd > 7.830) 6 6 0 peak 10579 ppm1 7.875 ppm2 7.880 volume 0.2456 assi ((( attr rmsd < 7.925) and (attr rmsd > 7.825)) and bondedto(attr rmsd < 17.358 and attr rmsd > 16.358)) ( attr rmsd < 7.930 and attr rmsd > 7.830) 6 6 0 peak 20579 ppm1 7.875 ppm2 7.880 volume 0.2456 assi ((( attr rmsd < 7.598) and (attr rmsd > 7.498)) and bondedto(attr rmsd < 64.773 and attr rmsd > 63.773)) ( attr rmsd < 7.601 and attr rmsd > 7.501) 6 6 0 peak 10580 ppm1 7.548 ppm2 7.551 volume 0.7142 assi ((( attr rmsd < 7.598) and (attr rmsd > 7.498)) and bondedto(attr rmsd < 17.253 and attr rmsd > 16.253)) ( attr rmsd < 7.601 and attr rmsd > 7.501) 6 6 0 peak 20580 ppm1 7.548 ppm2 7.551 volume 0.7142 assi ((( attr rmsd < 8.254) and (attr rmsd > 8.154)) and bondedto(attr rmsd < 41.051 and attr rmsd > 40.051)) ( attr rmsd < 7.942 and attr rmsd > 7.842) 6 6 0 peak 581 ppm1 8.204 ppm2 7.892 volume 0.5005 assi ((( attr rmsd < 8.253) and (attr rmsd > 8.153)) and bondedto(attr rmsd < 41.033 and attr rmsd > 40.033)) ( attr rmsd < 6.895 and attr rmsd > 6.795) 6 6 0 peak 582 ppm1 8.203 ppm2 6.845 volume 0.8142 assi ((( attr rmsd < 8.986) and (attr rmsd > 8.886)) and bondedto(attr rmsd < 64.588 and attr rmsd > 63.588)) ( attr rmsd < 8.990 and attr rmsd > 8.890) 6 6 0 peak 10583 ppm1 8.936 ppm2 8.940 volume 0.3688 assi ((( attr rmsd < 8.986) and (attr rmsd > 8.886)) and bondedto(attr rmsd < 17.068 and attr rmsd > 16.068)) ( attr rmsd < 8.990 and attr rmsd > 8.890) 6 6 0 peak 20583 ppm1 8.936 ppm2 8.940 volume 0.3688 assi ((( attr rmsd < 8.040) and (attr rmsd > 7.940)) and bondedto(attr rmsd < 64.650 and attr rmsd > 63.650)) ( attr rmsd < 8.038 and attr rmsd > 7.938) 6 6 0 peak 10584 ppm1 7.990 ppm2 7.988 volume 0.6572 assi ((( attr rmsd < 8.040) and (attr rmsd > 7.940)) and bondedto(attr rmsd < 17.130 and attr rmsd > 16.130)) ( attr rmsd < 8.038 and attr rmsd > 7.938) 6 6 0 peak 20584 ppm1 7.990 ppm2 7.988 volume 0.6572 assi ((( attr rmsd < 7.670) and (attr rmsd > 7.570)) and bondedto(attr rmsd < 64.716 and attr rmsd > 63.716)) ( attr rmsd < 7.677 and attr rmsd > 7.577) 6 6 0 peak 10585 ppm1 7.620 ppm2 7.627 volume 0.1741 assi ((( attr rmsd < 7.670) and (attr rmsd > 7.570)) and bondedto(attr rmsd < 17.196 and attr rmsd > 16.196)) ( attr rmsd < 7.677 and attr rmsd > 7.577) 6 6 0 peak 20585 ppm1 7.620 ppm2 7.627 volume 0.1741 assi ((( attr rmsd < 8.197) and (attr rmsd > 8.097)) and bondedto(attr rmsd < 64.425 and attr rmsd > 63.425)) ( attr rmsd < 8.196 and attr rmsd > 8.096) 6 6 0 peak 10586 ppm1 8.147 ppm2 8.146 volume 0.2748 assi ((( attr rmsd < 8.197) and (attr rmsd > 8.097)) and bondedto(attr rmsd < 16.905 and attr rmsd > 15.905)) ( attr rmsd < 8.196 and attr rmsd > 8.096) 6 6 0 peak 20586 ppm1 8.147 ppm2 8.146 volume 0.2748 assi ((( attr rmsd < 9.304) and (attr rmsd > 9.204)) and bondedto(attr rmsd < 40.709 and attr rmsd > 39.709)) ( attr rmsd < 8.336 and attr rmsd > 8.236) 6 6 0 peak 587 ppm1 9.254 ppm2 8.286 volume 0.4021 assi ((( attr rmsd < 9.297) and (attr rmsd > 9.197)) and bondedto(attr rmsd < 40.696 and attr rmsd > 39.696)) ( attr rmsd < 9.296 and attr rmsd > 9.196) 6 6 0 peak 588 ppm1 9.247 ppm2 9.246 volume 2.0517 assi ((( attr rmsd < 8.457) and (attr rmsd > 8.357)) and bondedto(attr rmsd < 64.223 and attr rmsd > 63.223)) ( attr rmsd < 8.460 and attr rmsd > 8.360) 6 6 0 peak 10589 ppm1 8.407 ppm2 8.410 volume 0.1496 assi ((( attr rmsd < 8.457) and (attr rmsd > 8.357)) and bondedto(attr rmsd < 16.703 and attr rmsd > 15.703)) ( attr rmsd < 8.460 and attr rmsd > 8.360) 6 6 0 peak 20589 ppm1 8.407 ppm2 8.410 volume 0.1496 assi ((( attr rmsd < 8.152) and (attr rmsd > 8.052)) and bondedto(attr rmsd < 64.333 and attr rmsd > 63.333)) ( attr rmsd < 8.152 and attr rmsd > 8.052) 6 6 0 peak 10590 ppm1 8.102 ppm2 8.102 volume 0.4371 assi ((( attr rmsd < 8.152) and (attr rmsd > 8.052)) and bondedto(attr rmsd < 16.813 and attr rmsd > 15.813)) ( attr rmsd < 8.152 and attr rmsd > 8.052) 6 6 0 peak 20590 ppm1 8.102 ppm2 8.102 volume 0.4371 assi ((( attr rmsd < 7.832) and (attr rmsd > 7.732)) and bondedto(attr rmsd < 40.556 and attr rmsd > 39.556)) ( attr rmsd < 8.989 and attr rmsd > 8.889) 6 6 0 peak 591 ppm1 7.782 ppm2 8.939 volume 0.5781 assi ((( attr rmsd < 7.835) and (attr rmsd > 7.735)) and bondedto(attr rmsd < 40.562 and attr rmsd > 39.562)) ( attr rmsd < 7.838 and attr rmsd > 7.738) 6 6 0 peak 592 ppm1 7.785 ppm2 7.788 volume 5.3736 assi ((( attr rmsd < 7.833) and (attr rmsd > 7.733)) and bondedto(attr rmsd < 40.554 and attr rmsd > 39.554)) ( attr rmsd < 7.534 and attr rmsd > 7.434) 6 6 0 peak 593 ppm1 7.783 ppm2 7.484 volume 0.6216 assi ((( attr rmsd < 8.963) and (attr rmsd > 8.863)) and bondedto(attr rmsd < 64.108 and attr rmsd > 63.108)) ( attr rmsd < 8.962 and attr rmsd > 8.862) 6 6 0 peak 10594 ppm1 8.913 ppm2 8.912 volume 0.2870 assi ((( attr rmsd < 8.963) and (attr rmsd > 8.863)) and bondedto(attr rmsd < 16.588 and attr rmsd > 15.588)) ( attr rmsd < 8.962 and attr rmsd > 8.862) 6 6 0 peak 20594 ppm1 8.913 ppm2 8.912 volume 0.2870 assi ((( attr rmsd < 8.254) and (attr rmsd > 8.154)) and bondedto(attr rmsd < 64.005 and attr rmsd > 63.005)) ( attr rmsd < 8.258 and attr rmsd > 8.158) 6 6 0 peak 10595 ppm1 8.204 ppm2 8.208 volume 0.5565 assi ((( attr rmsd < 8.254) and (attr rmsd > 8.154)) and bondedto(attr rmsd < 16.485 and attr rmsd > 15.485)) ( attr rmsd < 8.258 and attr rmsd > 8.158) 6 6 0 peak 20595 ppm1 8.204 ppm2 8.208 volume 0.5565 assi ((( attr rmsd < 9.490) and (attr rmsd > 9.390)) and bondedto(attr rmsd < 40.409 and attr rmsd > 39.409)) ( attr rmsd < 8.224 and attr rmsd > 8.124) 6 6 0 peak 596 ppm1 9.440 ppm2 8.174 volume 0.4257 assi ((( attr rmsd < 9.486) and (attr rmsd > 9.386)) and bondedto(attr rmsd < 40.399 and attr rmsd > 39.399)) ( attr rmsd < 9.486 and attr rmsd > 9.386) 6 6 0 peak 597 ppm1 9.436 ppm2 9.436 volume 3.5711 assi ((( attr rmsd < 8.009) and (attr rmsd > 7.909)) and bondedto(attr rmsd < 63.934 and attr rmsd > 62.934)) ( attr rmsd < 8.006 and attr rmsd > 7.906) 6 6 0 peak 10598 ppm1 7.959 ppm2 7.956 volume 0.1499 assi ((( attr rmsd < 8.009) and (attr rmsd > 7.909)) and bondedto(attr rmsd < 16.414 and attr rmsd > 15.414)) ( attr rmsd < 8.006 and attr rmsd > 7.906) 6 6 0 peak 20598 ppm1 7.959 ppm2 7.956 volume 0.1499 assi ((( attr rmsd < 7.674) and (attr rmsd > 7.574)) and bondedto(attr rmsd < 63.883 and attr rmsd > 62.883)) ( attr rmsd < 7.677 and attr rmsd > 7.577) 6 6 0 peak 10599 ppm1 7.624 ppm2 7.627 volume 0.9039 assi ((( attr rmsd < 7.674) and (attr rmsd > 7.574)) and bondedto(attr rmsd < 16.363 and attr rmsd > 15.363)) ( attr rmsd < 7.677 and attr rmsd > 7.577) 6 6 0 peak 20599 ppm1 7.624 ppm2 7.627 volume 0.9039 assi ((( attr rmsd < 7.674) and (attr rmsd > 7.574)) and bondedto(attr rmsd < 63.863 and attr rmsd > 62.863)) ( attr rmsd < 7.106 and attr rmsd > 7.006) 6 6 0 peak 10600 ppm1 7.624 ppm2 7.056 volume 0.3123 assi ((( attr rmsd < 7.674) and (attr rmsd > 7.574)) and bondedto(attr rmsd < 16.343 and attr rmsd > 15.343)) ( attr rmsd < 7.106 and attr rmsd > 7.006) 6 6 0 peak 20600 ppm1 7.624 ppm2 7.056 volume 0.3123 assi ((( attr rmsd < 7.663) and (attr rmsd > 7.563)) ( attr rmsd < 7.004 and attr rmsd > 6.904) 6 6 0 peak 601 ppm1 7.613 ppm2 6.954 volume 0.3472 assi ((( attr rmsd < 7.663) and (attr rmsd > 7.563)) and bondedto(attr rmsd < 63.887 and attr rmsd > 62.887)) ( attr rmsd < 7.004 and attr rmsd > 6.904) 6 6 0 peak 10601 ppm1 7.613 ppm2 6.954 volume 0.3472 assi ((( attr rmsd < 7.663) and (attr rmsd > 7.563)) and bondedto(attr rmsd < 16.367 and attr rmsd > 15.367)) ( attr rmsd < 7.004 and attr rmsd > 6.904) 6 6 0 peak 20601 ppm1 7.613 ppm2 6.954 volume 0.3472 assi ((( attr rmsd < 7.603) and (attr rmsd > 7.503)) and bondedto(attr rmsd < 63.892 and attr rmsd > 62.892)) ( attr rmsd < 7.601 and attr rmsd > 7.501) 6 6 0 peak 10602 ppm1 7.553 ppm2 7.551 volume 0.5281 assi ((( attr rmsd < 7.603) and (attr rmsd > 7.503)) and bondedto(attr rmsd < 16.372 and attr rmsd > 15.372)) ( attr rmsd < 7.601 and attr rmsd > 7.501) 6 6 0 peak 20602 ppm1 7.553 ppm2 7.551 volume 0.5281 assi ((( attr rmsd < 7.604) and (attr rmsd > 7.504)) and bondedto(attr rmsd < 63.899 and attr rmsd > 62.899)) ( attr rmsd < 6.933 and attr rmsd > 6.833) 6 6 0 peak 10603 ppm1 7.554 ppm2 6.883 volume 0.3333 assi ((( attr rmsd < 7.604) and (attr rmsd > 7.504)) and bondedto(attr rmsd < 16.379 and attr rmsd > 15.379)) ( attr rmsd < 6.933 and attr rmsd > 6.833) 6 6 0 peak 20603 ppm1 7.554 ppm2 6.883 volume 0.3333 assi ((( attr rmsd < 7.111) and (attr rmsd > 7.011)) and bondedto(attr rmsd < 63.863 and attr rmsd > 62.863)) ( attr rmsd < 7.681 and attr rmsd > 7.581) 6 6 0 peak 10604 ppm1 7.061 ppm2 7.631 volume 0.3722 assi ((( attr rmsd < 7.111) and (attr rmsd > 7.011)) and bondedto(attr rmsd < 16.343 and attr rmsd > 15.343)) ( attr rmsd < 7.681 and attr rmsd > 7.581) 6 6 0 peak 20604 ppm1 7.061 ppm2 7.631 volume 0.3722 assi ((( attr rmsd < 7.107) and (attr rmsd > 7.007)) and bondedto(attr rmsd < 63.872 and attr rmsd > 62.872)) ( attr rmsd < 7.111 and attr rmsd > 7.011) 6 6 0 peak 10605 ppm1 7.057 ppm2 7.061 volume 0.4919 assi ((( attr rmsd < 7.107) and (attr rmsd > 7.007)) and bondedto(attr rmsd < 16.352 and attr rmsd > 15.352)) ( attr rmsd < 7.111 and attr rmsd > 7.011) 6 6 0 peak 20605 ppm1 7.057 ppm2 7.061 volume 0.4919 assi ((( attr rmsd < 7.000) and (attr rmsd > 6.900)) and bondedto(attr rmsd < 63.872 and attr rmsd > 62.872)) ( attr rmsd < 7.659 and attr rmsd > 7.559) 6 6 0 peak 10606 ppm1 6.950 ppm2 7.609 volume 0.3192 assi ((( attr rmsd < 7.000) and (attr rmsd > 6.900)) and bondedto(attr rmsd < 16.352 and attr rmsd > 15.352)) ( attr rmsd < 7.659 and attr rmsd > 7.559) 6 6 0 peak 20606 ppm1 6.950 ppm2 7.609 volume 0.3192 assi ((( attr rmsd < 7.006) and (attr rmsd > 6.906)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 607 ppm1 6.956 ppm2 6.956 volume 0.4843 assi ((( attr rmsd < 7.006) and (attr rmsd > 6.906)) and bondedto(attr rmsd < 63.904 and attr rmsd > 62.904)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 10607 ppm1 6.956 ppm2 6.956 volume 0.4843 assi ((( attr rmsd < 7.006) and (attr rmsd > 6.906)) and bondedto(attr rmsd < 16.384 and attr rmsd > 15.384)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 20607 ppm1 6.956 ppm2 6.956 volume 0.4843 assi ((( attr rmsd < 6.939) and (attr rmsd > 6.839)) and bondedto(attr rmsd < 63.905 and attr rmsd > 62.905)) ( attr rmsd < 7.608 and attr rmsd > 7.508) 6 6 0 peak 10608 ppm1 6.889 ppm2 7.558 volume 0.3010 assi ((( attr rmsd < 6.939) and (attr rmsd > 6.839)) and bondedto(attr rmsd < 16.385 and attr rmsd > 15.385)) ( attr rmsd < 7.608 and attr rmsd > 7.508) 6 6 0 peak 20608 ppm1 6.889 ppm2 7.558 volume 0.3010 assi ((( attr rmsd < 6.938) and (attr rmsd > 6.838)) and bondedto(attr rmsd < 63.919 and attr rmsd > 62.919)) ( attr rmsd < 6.939 and attr rmsd > 6.839) 6 6 0 peak 10609 ppm1 6.888 ppm2 6.889 volume 0.6623 assi ((( attr rmsd < 6.938) and (attr rmsd > 6.838)) and bondedto(attr rmsd < 16.399 and attr rmsd > 15.399)) ( attr rmsd < 6.939 and attr rmsd > 6.839) 6 6 0 peak 20609 ppm1 6.888 ppm2 6.889 volume 0.6623 assi ((( attr rmsd < 8.310) and (attr rmsd > 8.210)) and bondedto(attr rmsd < 40.135 and attr rmsd > 39.135)) ( attr rmsd < 8.469 and attr rmsd > 8.369) 6 6 0 peak 610 ppm1 8.260 ppm2 8.419 volume 0.3281 assi ((( attr rmsd < 8.311) and (attr rmsd > 8.211)) and bondedto(attr rmsd < 40.121 and attr rmsd > 39.121)) ( attr rmsd < 8.311 and attr rmsd > 8.211) 6 6 0 peak 611 ppm1 8.261 ppm2 8.261 volume 0.5633 assi ((( attr rmsd < 9.298) and (attr rmsd > 9.198)) and bondedto(attr rmsd < 63.652 and attr rmsd > 62.652)) ( attr rmsd < 9.294 and attr rmsd > 9.194) 6 6 0 peak 10612 ppm1 9.248 ppm2 9.244 volume 0.2551 assi ((( attr rmsd < 9.298) and (attr rmsd > 9.198)) and bondedto(attr rmsd < 16.132 and attr rmsd > 15.132)) ( attr rmsd < 9.294 and attr rmsd > 9.194) 6 6 0 peak 20612 ppm1 9.248 ppm2 9.244 volume 0.2551 assi ((( attr rmsd < 7.837) and (attr rmsd > 7.737)) and bondedto(attr rmsd < 63.503 and attr rmsd > 62.503)) ( attr rmsd < 7.838 and attr rmsd > 7.738) 6 6 0 peak 10613 ppm1 7.787 ppm2 7.788 volume 0.7121 assi ((( attr rmsd < 7.837) and (attr rmsd > 7.737)) and bondedto(attr rmsd < 15.983 and attr rmsd > 14.983)) ( attr rmsd < 7.838 and attr rmsd > 7.738) 6 6 0 peak 20613 ppm1 7.787 ppm2 7.788 volume 0.7121 assi ((( attr rmsd < 9.489) and (attr rmsd > 9.389)) and bondedto(attr rmsd < 63.348 and attr rmsd > 62.348)) ( attr rmsd < 9.491 and attr rmsd > 9.391) 6 6 0 peak 10614 ppm1 9.439 ppm2 9.441 volume 0.4263 assi ((( attr rmsd < 9.489) and (attr rmsd > 9.389)) and bondedto(attr rmsd < 15.828 and attr rmsd > 14.828)) ( attr rmsd < 9.491 and attr rmsd > 9.391) 6 6 0 peak 20614 ppm1 9.439 ppm2 9.441 volume 0.4263 assi ((( attr rmsd < 8.963) and (attr rmsd > 8.863)) and bondedto(attr rmsd < 39.534 and attr rmsd > 38.534)) ( attr rmsd < 8.965 and attr rmsd > 8.865) 6 6 0 peak 615 ppm1 8.913 ppm2 8.915 volume 2.5669 assi ((( attr rmsd < 8.960) and (attr rmsd > 8.860)) and bondedto(attr rmsd < 39.528 and attr rmsd > 38.528)) ( attr rmsd < 6.907 and attr rmsd > 6.807) 6 6 0 peak 616 ppm1 8.910 ppm2 6.857 volume 0.3856 assi ((( attr rmsd < 8.257) and (attr rmsd > 8.157)) and bondedto(attr rmsd < 63.147 and attr rmsd > 62.147)) ( attr rmsd < 8.261 and attr rmsd > 8.161) 6 6 0 peak 10617 ppm1 8.207 ppm2 8.211 volume 0.1585 assi ((( attr rmsd < 8.257) and (attr rmsd > 8.157)) and bondedto(attr rmsd < 15.627 and attr rmsd > 14.627)) ( attr rmsd < 8.261 and attr rmsd > 8.161) 6 6 0 peak 20617 ppm1 8.207 ppm2 8.211 volume 0.1585 assi ((( attr rmsd < 7.673) and (attr rmsd > 7.573)) and bondedto(attr rmsd < 39.296 and attr rmsd > 38.296)) ( attr rmsd < 7.105 and attr rmsd > 7.005) 6 6 0 peak 618 ppm1 7.623 ppm2 7.055 volume 2.9547 assi ((( attr rmsd < 7.662) and (attr rmsd > 7.562)) ( attr rmsd < 7.007 and attr rmsd > 6.907) 6 6 0 peak 619 ppm1 7.612 ppm2 6.957 volume 3.5679 assi ((( attr rmsd < 7.662) and (attr rmsd > 7.562)) and bondedto(attr rmsd < 39.293 and attr rmsd > 38.293)) ( attr rmsd < 7.007 and attr rmsd > 6.907) 6 6 0 peak 619 ppm1 7.612 ppm2 6.957 volume 3.5679 assi ((( attr rmsd < 7.604) and (attr rmsd > 7.504)) and bondedto(attr rmsd < 39.294 and attr rmsd > 38.294)) ( attr rmsd < 7.602 and attr rmsd > 7.502) 6 6 0 peak 620 ppm1 7.554 ppm2 7.552 volume 3.7878 assi ((( attr rmsd < 7.603) and (attr rmsd > 7.503)) and bondedto(attr rmsd < 39.321 and attr rmsd > 38.321)) ( attr rmsd < 6.935 and attr rmsd > 6.835) 6 6 0 peak 621 ppm1 7.553 ppm2 6.885 volume 2.8424 assi ((( attr rmsd < 7.110) and (attr rmsd > 7.010)) and bondedto(attr rmsd < 39.295 and attr rmsd > 38.295)) ( attr rmsd < 7.680 and attr rmsd > 7.580) 6 6 0 peak 622 ppm1 7.060 ppm2 7.630 volume 3.2745 assi ((( attr rmsd < 7.005) and (attr rmsd > 6.905)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 623 ppm1 6.955 ppm2 6.956 volume 5.5561 assi ((( attr rmsd < 7.005) and (attr rmsd > 6.905)) and bondedto(attr rmsd < 39.293 and attr rmsd > 38.293)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 623 ppm1 6.955 ppm2 6.956 volume 5.5561 assi ((( attr rmsd < 6.937) and (attr rmsd > 6.837)) and bondedto(attr rmsd < 39.329 and attr rmsd > 38.329)) ( attr rmsd < 7.608 and attr rmsd > 7.508) 6 6 0 peak 624 ppm1 6.887 ppm2 7.558 volume 2.7358 assi ((( attr rmsd < 6.937) and (attr rmsd > 6.837)) and bondedto(attr rmsd < 39.335 and attr rmsd > 38.335)) ( attr rmsd < 6.940 and attr rmsd > 6.840) 6 6 0 peak 625 ppm1 6.887 ppm2 6.890 volume 6.3237 assi ((( attr rmsd < 7.673) and (attr rmsd > 7.573)) and bondedto(attr rmsd < 39.279 and attr rmsd > 38.279)) ( attr rmsd < 7.678 and attr rmsd > 7.578) 6 6 0 peak 626 ppm1 7.623 ppm2 7.628 volume 8.8683 assi ((( attr rmsd < 7.105) and (attr rmsd > 7.005)) and bondedto(attr rmsd < 39.290 and attr rmsd > 38.290)) ( attr rmsd < 7.111 and attr rmsd > 7.011) 6 6 0 peak 627 ppm1 7.055 ppm2 7.061 volume 4.6501 assi ((( attr rmsd < 6.997) and (attr rmsd > 6.897)) and bondedto(attr rmsd < 39.283 and attr rmsd > 38.283)) ( attr rmsd < 7.661 and attr rmsd > 7.561) 6 6 0 peak 628 ppm1 6.947 ppm2 7.611 volume 3.2866 assi ((( attr rmsd < 8.967) and (attr rmsd > 8.867)) and bondedto(attr rmsd < 62.497 and attr rmsd > 61.497)) ( attr rmsd < 8.964 and attr rmsd > 8.864) 6 6 0 peak 10629 ppm1 8.917 ppm2 8.914 volume 0.2950 assi ((( attr rmsd < 8.967) and (attr rmsd > 8.867)) and bondedto(attr rmsd < 14.977 and attr rmsd > 13.977)) ( attr rmsd < 8.964 and attr rmsd > 8.864) 6 6 0 peak 20629 ppm1 8.917 ppm2 8.914 volume 0.2950 assi ((( attr rmsd < 7.708) and (attr rmsd > 7.608)) and bondedto(attr rmsd < 38.703 and attr rmsd > 37.703)) ( attr rmsd < 8.092 and attr rmsd > 7.992) 6 6 0 peak 630 ppm1 7.658 ppm2 8.042 volume 0.7370 assi ((( attr rmsd < 7.714) and (attr rmsd > 7.614)) and bondedto(attr rmsd < 38.717 and attr rmsd > 37.717)) ( attr rmsd < 7.312 and attr rmsd > 7.212) 6 6 0 peak 631 ppm1 7.664 ppm2 7.262 volume 0.7109 assi ((( attr rmsd < 7.675) and (attr rmsd > 7.575)) and bondedto(attr rmsd < 62.247 and attr rmsd > 61.247)) ( attr rmsd < 7.105 and attr rmsd > 7.005) 6 6 0 peak 10632 ppm1 7.625 ppm2 7.055 volume 0.4078 assi ((( attr rmsd < 7.675) and (attr rmsd > 7.575)) and bondedto(attr rmsd < 14.727 and attr rmsd > 13.727)) ( attr rmsd < 7.105 and attr rmsd > 7.005) 6 6 0 peak 20632 ppm1 7.625 ppm2 7.055 volume 0.4078 assi ((( attr rmsd < 7.660) and (attr rmsd > 7.560)) and bondedto(attr rmsd < 62.215 and attr rmsd > 61.215)) ( attr rmsd < 7.660 and attr rmsd > 7.560) 6 6 0 peak 10633 ppm1 7.610 ppm2 7.610 volume 0.8478 assi ((( attr rmsd < 7.660) and (attr rmsd > 7.560)) and bondedto(attr rmsd < 14.695 and attr rmsd > 13.695)) ( attr rmsd < 7.660 and attr rmsd > 7.560) 6 6 0 peak 20633 ppm1 7.610 ppm2 7.610 volume 0.8478 assi ((( attr rmsd < 7.663) and (attr rmsd > 7.563)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 634 ppm1 7.613 ppm2 6.956 volume 0.4615 assi ((( attr rmsd < 7.663) and (attr rmsd > 7.563)) and bondedto(attr rmsd < 62.223 and attr rmsd > 61.223)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 10634 ppm1 7.613 ppm2 6.956 volume 0.4615 assi ((( attr rmsd < 7.663) and (attr rmsd > 7.563)) and bondedto(attr rmsd < 14.703 and attr rmsd > 13.703)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 20634 ppm1 7.613 ppm2 6.956 volume 0.4615 assi ((( attr rmsd < 7.605) and (attr rmsd > 7.505)) and bondedto(attr rmsd < 62.224 and attr rmsd > 61.224)) ( attr rmsd < 7.601 and attr rmsd > 7.501) 6 6 0 peak 10635 ppm1 7.555 ppm2 7.551 volume 0.4539 assi ((( attr rmsd < 7.605) and (attr rmsd > 7.505)) and bondedto(attr rmsd < 14.704 and attr rmsd > 13.704)) ( attr rmsd < 7.601 and attr rmsd > 7.501) 6 6 0 peak 20635 ppm1 7.555 ppm2 7.551 volume 0.4539 assi ((( attr rmsd < 7.605) and (attr rmsd > 7.505)) and bondedto(attr rmsd < 62.274 and attr rmsd > 61.274)) ( attr rmsd < 6.933 and attr rmsd > 6.833) 6 6 0 peak 10636 ppm1 7.555 ppm2 6.883 volume 0.3230 assi ((( attr rmsd < 7.605) and (attr rmsd > 7.505)) and bondedto(attr rmsd < 14.754 and attr rmsd > 13.754)) ( attr rmsd < 6.933 and attr rmsd > 6.833) 6 6 0 peak 20636 ppm1 7.555 ppm2 6.883 volume 0.3230 assi ((( attr rmsd < 7.111) and (attr rmsd > 7.011)) and bondedto(attr rmsd < 62.251 and attr rmsd > 61.251)) ( attr rmsd < 7.679 and attr rmsd > 7.579) 6 6 0 peak 10637 ppm1 7.061 ppm2 7.629 volume 0.4401 assi ((( attr rmsd < 7.111) and (attr rmsd > 7.011)) and bondedto(attr rmsd < 14.731 and attr rmsd > 13.731)) ( attr rmsd < 7.679 and attr rmsd > 7.579) 6 6 0 peak 20637 ppm1 7.061 ppm2 7.629 volume 0.4401 assi ((( attr rmsd < 7.106) and (attr rmsd > 7.006)) and bondedto(attr rmsd < 62.236 and attr rmsd > 61.236)) ( attr rmsd < 7.109 and attr rmsd > 7.009) 6 6 0 peak 10638 ppm1 7.056 ppm2 7.059 volume 0.5712 assi ((( attr rmsd < 7.106) and (attr rmsd > 7.006)) and bondedto(attr rmsd < 14.716 and attr rmsd > 13.716)) ( attr rmsd < 7.109 and attr rmsd > 7.009) 6 6 0 peak 20638 ppm1 7.056 ppm2 7.059 volume 0.5712 assi ((( attr rmsd < 6.999) and (attr rmsd > 6.899)) and bondedto(attr rmsd < 62.221 and attr rmsd > 61.221)) ( attr rmsd < 7.661 and attr rmsd > 7.561) 6 6 0 peak 10639 ppm1 6.949 ppm2 7.611 volume 0.4132 assi ((( attr rmsd < 6.999) and (attr rmsd > 6.899)) and bondedto(attr rmsd < 14.701 and attr rmsd > 13.701)) ( attr rmsd < 7.661 and attr rmsd > 7.561) 6 6 0 peak 20639 ppm1 6.949 ppm2 7.611 volume 0.4132 assi ((( attr rmsd < 7.006) and (attr rmsd > 6.906)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 640 ppm1 6.956 ppm2 6.956 volume 0.6509 assi ((( attr rmsd < 7.006) and (attr rmsd > 6.906)) and bondedto(attr rmsd < 62.228 and attr rmsd > 61.228)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 10640 ppm1 6.956 ppm2 6.956 volume 0.6509 assi ((( attr rmsd < 7.006) and (attr rmsd > 6.906)) and bondedto(attr rmsd < 14.708 and attr rmsd > 13.708)) ( attr rmsd < 7.006 and attr rmsd > 6.906) 6 6 0 peak 20640 ppm1 6.956 ppm2 6.956 volume 0.6509 assi ((( attr rmsd < 6.938) and (attr rmsd > 6.838)) and bondedto(attr rmsd < 62.282 and attr rmsd > 61.282)) ( attr rmsd < 7.606 and attr rmsd > 7.506) 6 6 0 peak 10641 ppm1 6.888 ppm2 7.556 volume 0.3187 assi ((( attr rmsd < 6.938) and (attr rmsd > 6.838)) and bondedto(attr rmsd < 14.762 and attr rmsd > 13.762)) ( attr rmsd < 7.606 and attr rmsd > 7.506) 6 6 0 peak 20641 ppm1 6.888 ppm2 7.556 volume 0.3187 assi ((( attr rmsd < 6.938) and (attr rmsd > 6.838)) and bondedto(attr rmsd < 62.279 and attr rmsd > 61.279)) ( attr rmsd < 6.939 and attr rmsd > 6.839) 6 6 0 peak 10642 ppm1 6.888 ppm2 6.889 volume 0.7110 assi ((( attr rmsd < 6.938) and (attr rmsd > 6.838)) and bondedto(attr rmsd < 14.759 and attr rmsd > 13.759)) ( attr rmsd < 6.939 and attr rmsd > 6.839) 6 6 0 peak 20642 ppm1 6.888 ppm2 6.889 volume 0.7110 assi ((( attr rmsd < 7.317) and (attr rmsd > 7.217)) and bondedto(attr rmsd < 61.878 and attr rmsd > 60.878)) ( attr rmsd < 7.316 and attr rmsd > 7.216) 6 6 0 peak 10643 ppm1 7.267 ppm2 7.266 volume 0.2430 assi ((( attr rmsd < 7.317) and (attr rmsd > 7.217)) and bondedto(attr rmsd < 14.358 and attr rmsd > 13.358)) ( attr rmsd < 7.316 and attr rmsd > 7.216) 6 6 0 peak 20643 ppm1 7.267 ppm2 7.266 volume 0.2430 assi ((( attr rmsd < 7.713) and (attr rmsd > 7.613)) and bondedto(attr rmsd < 61.648 and attr rmsd > 60.648)) ( attr rmsd < 7.715 and attr rmsd > 7.615) 6 6 0 peak 10644 ppm1 7.663 ppm2 7.665 volume 0.4778 assi ((( attr rmsd < 7.713) and (attr rmsd > 7.613)) and bondedto(attr rmsd < 14.128 and attr rmsd > 13.128)) ( attr rmsd < 7.715 and attr rmsd > 7.615) 6 6 0 peak 20644 ppm1 7.663 ppm2 7.665 volume 0.4778 assi ((( attr rmsd < 6.991) and (attr rmsd > 6.891)) ( attr rmsd < 6.689 and attr rmsd > 6.589) 6 6 0 peak 645 ppm1 6.941 ppm2 6.639 volume 0.5412 assi ((( attr rmsd < 6.991) and (attr rmsd > 6.891)) and bondedto(attr rmsd < 37.437 and attr rmsd > 36.437)) ( attr rmsd < 6.689 and attr rmsd > 6.589) 6 6 0 peak 645 ppm1 6.941 ppm2 6.639 volume 0.5412 assi ((( attr rmsd < 7.315) and (attr rmsd > 7.215)) and bondedto(attr rmsd < 37.291 and attr rmsd > 36.291)) ( attr rmsd < 7.942 and attr rmsd > 7.842) 6 6 0 peak 646 ppm1 7.265 ppm2 7.892 volume 0.3994 assi ((( attr rmsd < 7.313) and (attr rmsd > 7.213)) and bondedto(attr rmsd < 37.305 and attr rmsd > 36.305)) ( attr rmsd < 7.719 and attr rmsd > 7.619) 6 6 0 peak 647 ppm1 7.263 ppm2 7.669 volume 0.7175 assi ((( attr rmsd < 7.314) and (attr rmsd > 7.214)) and bondedto(attr rmsd < 37.301 and attr rmsd > 36.301)) ( attr rmsd < 7.316 and attr rmsd > 7.216) 6 6 0 peak 648 ppm1 7.264 ppm2 7.266 volume 2.3736 assi ((( attr rmsd < 7.307) and (attr rmsd > 7.207)) and bondedto(attr rmsd < 37.320 and attr rmsd > 36.320)) ( attr rmsd < 8.083 and attr rmsd > 7.983) 6 6 0 peak 649 ppm1 7.257 ppm2 8.033 volume 0.1856 assi ((( attr rmsd < 6.985) and (attr rmsd > 6.885)) ( attr rmsd < 6.989 and attr rmsd > 6.889) 6 6 0 peak 650 ppm1 6.935 ppm2 6.939 volume 1.3145 assi ((( attr rmsd < 6.985) and (attr rmsd > 6.885)) and bondedto(attr rmsd < 37.392 and attr rmsd > 36.392)) ( attr rmsd < 6.989 and attr rmsd > 6.889) 6 6 0 peak 650 ppm1 6.935 ppm2 6.939 volume 1.3145 assi ((( attr rmsd < 6.907) and (attr rmsd > 6.807)) and bondedto(attr rmsd < 60.557 and attr rmsd > 59.557)) ( attr rmsd < 6.908 and attr rmsd > 6.808) 6 6 0 peak 10651 ppm1 6.857 ppm2 6.858 volume 0.3884 assi ((( attr rmsd < 6.907) and (attr rmsd > 6.807)) and bondedto(attr rmsd < 13.037 and attr rmsd > 12.037)) ( attr rmsd < 6.908 and attr rmsd > 6.808) 6 6 0 peak 20651 ppm1 6.857 ppm2 6.858 volume 0.3884 assi ((( attr rmsd < 7.410) and (attr rmsd > 7.310)) ( attr rmsd < 7.229 and attr rmsd > 7.129) 6 6 0 peak 652 ppm1 7.360 ppm2 7.179 volume 0.1765 assi ((( attr rmsd < 7.410) and (attr rmsd > 7.310)) and bondedto(attr rmsd < 36.173 and attr rmsd > 35.173)) ( attr rmsd < 7.229 and attr rmsd > 7.129) 6 6 0 peak 652 ppm1 7.360 ppm2 7.179 volume 0.1765 assi ((( attr rmsd < 7.211) and (attr rmsd > 7.111)) ( attr rmsd < 7.220 and attr rmsd > 7.120) 6 6 0 peak 653 ppm1 7.161 ppm2 7.170 volume 1.8998 assi ((( attr rmsd < 7.211) and (attr rmsd > 7.111)) and bondedto(attr rmsd < 36.289 and attr rmsd > 35.289)) ( attr rmsd < 7.220 and attr rmsd > 7.120) 6 6 0 peak 653 ppm1 7.161 ppm2 7.170 volume 1.8998 assi ((( attr rmsd < 6.909) and (attr rmsd > 6.809)) and bondedto(attr rmsd < 59.720 and attr rmsd > 58.720)) ( attr rmsd < 6.805 and attr rmsd > 6.705) 6 6 0 peak 10654 ppm1 6.859 ppm2 6.755 volume 0.3139 assi ((( attr rmsd < 6.909) and (attr rmsd > 6.809)) and bondedto(attr rmsd < 12.200 and attr rmsd > 11.200)) ( attr rmsd < 6.805 and attr rmsd > 6.705) 6 6 0 peak 20654 ppm1 6.859 ppm2 6.755 volume 0.3139 assi ((( attr rmsd < 7.284) and (attr rmsd > 7.184)) and bondedto(attr rmsd < 36.008 and attr rmsd > 35.008)) ( attr rmsd < 7.275 and attr rmsd > 7.175) 6 6 0 peak 655 ppm1 7.234 ppm2 7.225 volume 1.1791 assi ((( attr rmsd < 6.908) and (attr rmsd > 6.808)) and bondedto(attr rmsd < 35.979 and attr rmsd > 34.979)) ( attr rmsd < 8.963 and attr rmsd > 8.863) 6 6 0 peak 656 ppm1 6.858 ppm2 8.913 volume 0.3955 assi ((( attr rmsd < 6.903) and (attr rmsd > 6.803)) and bondedto(attr rmsd < 35.986 and attr rmsd > 34.986)) ( attr rmsd < 7.739 and attr rmsd > 7.639) 6 6 0 peak 657 ppm1 6.853 ppm2 7.689 volume 0.6997 assi ((( attr rmsd < 6.905) and (attr rmsd > 6.805)) and bondedto(attr rmsd < 35.981 and attr rmsd > 34.981)) ( attr rmsd < 6.908 and attr rmsd > 6.808) 6 6 0 peak 658 ppm1 6.855 ppm2 6.858 volume 3.3865 assi ((( attr rmsd < 6.908) and (attr rmsd > 6.808)) and bondedto(attr rmsd < 58.940 and attr rmsd > 57.940)) ( attr rmsd < 6.908 and attr rmsd > 6.808) 6 6 0 peak 10659 ppm1 6.858 ppm2 6.858 volume 0.3664 assi ((( attr rmsd < 6.908) and (attr rmsd > 6.808)) and bondedto(attr rmsd < 11.420 and attr rmsd > 10.420)) ( attr rmsd < 6.908 and attr rmsd > 6.808) 6 6 0 peak 20659 ppm1 6.858 ppm2 6.858 volume 0.3664 assi ((( attr rmsd < 7.339) and (attr rmsd > 7.239)) and bondedto(attr rmsd < 34.330 and attr rmsd > 33.330)) ( attr rmsd < 7.294 and attr rmsd > 7.194) 6 6 0 peak 660 ppm1 7.289 ppm2 7.244 volume 0.1784 assi ((( attr rmsd < 8.291) and (attr rmsd > 8.191)) and bondedto(attr rmsd < 55.378 and attr rmsd > 54.378)) ( attr rmsd < 4.422 and attr rmsd > 4.322) 6 6 0 peak 661 ppm1 8.241 ppm2 4.372 volume 0.1632 assi ((( attr rmsd < 9.434) and (attr rmsd > 9.334)) and bondedto(attr rmsd < 53.938 and attr rmsd > 52.938)) ( attr rmsd < 4.641 and attr rmsd > 4.541) 6 6 0 peak 662 ppm1 9.384 ppm2 4.591 volume 0.1667 assi ((( attr rmsd < 6.605) and (attr rmsd > 6.505)) and bondedto(attr rmsd < 75.554 and attr rmsd > 74.554)) ( attr rmsd < 0.793 and attr rmsd > 0.693) 6 6 0 peak 10663 ppm1 6.555 ppm2 0.743 volume 0.1535 assi ((( attr rmsd < 6.605) and (attr rmsd > 6.505)) and bondedto(attr rmsd < 28.034 and attr rmsd > 27.034)) ( attr rmsd < 0.793 and attr rmsd > 0.693) 6 6 0 peak 20663 ppm1 6.555 ppm2 0.743 volume 0.1535 assi ((( attr rmsd < 6.585) and (attr rmsd > 6.485)) and bondedto(attr rmsd < 75.568 and attr rmsd > 74.568)) ( attr rmsd < 6.547 and attr rmsd > 6.447) 6 6 0 peak 10664 ppm1 6.535 ppm2 6.497 volume 0.2119 assi ((( attr rmsd < 6.585) and (attr rmsd > 6.485)) and bondedto(attr rmsd < 28.048 and attr rmsd > 27.048)) ( attr rmsd < 6.547 and attr rmsd > 6.447) 6 6 0 peak 20664 ppm1 6.535 ppm2 6.497 volume 0.2119 assi ((( attr rmsd < 9.216) and (attr rmsd > 9.116)) and bondedto(attr rmsd < 75.275 and attr rmsd > 74.275)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 10665 ppm1 9.166 ppm2 4.775 volume 0.1485 assi ((( attr rmsd < 9.216) and (attr rmsd > 9.116)) and bondedto(attr rmsd < 27.755 and attr rmsd > 26.755)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 20665 ppm1 9.166 ppm2 4.775 volume 0.1485 assi ((( attr rmsd < 8.995) and (attr rmsd > 8.895)) and bondedto(attr rmsd < 75.382 and attr rmsd > 74.382)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 10666 ppm1 8.945 ppm2 4.773 volume 0.1445 assi ((( attr rmsd < 8.995) and (attr rmsd > 8.895)) and bondedto(attr rmsd < 27.862 and attr rmsd > 26.862)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 20666 ppm1 8.945 ppm2 4.773 volume 0.1445 assi ((( attr rmsd < 8.008) and (attr rmsd > 7.908)) and bondedto(attr rmsd < 51.468 and attr rmsd > 50.468)) ( attr rmsd < 4.696 and attr rmsd > 4.596) 6 6 0 peak 667 ppm1 7.958 ppm2 4.646 volume 0.1571 assi ((( attr rmsd < 7.235) and (attr rmsd > 7.135)) and bondedto(attr rmsd < 72.394 and attr rmsd > 71.394)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 10668 ppm1 7.185 ppm2 4.776 volume 0.2383 assi ((( attr rmsd < 7.235) and (attr rmsd > 7.135)) and bondedto(attr rmsd < 24.874 and attr rmsd > 23.874)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 20668 ppm1 7.185 ppm2 4.776 volume 0.2383 assi ((( attr rmsd < 9.170) and (attr rmsd > 9.070)) and bondedto(attr rmsd < 71.259 and attr rmsd > 70.259)) ( attr rmsd < 4.809 and attr rmsd > 4.709) 6 6 0 peak 10669 ppm1 9.120 ppm2 4.759 volume 0.1482 assi ((( attr rmsd < 9.170) and (attr rmsd > 9.070)) and bondedto(attr rmsd < 23.739 and attr rmsd > 22.739)) ( attr rmsd < 4.809 and attr rmsd > 4.709) 6 6 0 peak 20669 ppm1 9.120 ppm2 4.759 volume 0.1482 assi ((( attr rmsd < 6.547) and (attr rmsd > 6.447)) and bondedto(attr rmsd < 70.927 and attr rmsd > 69.927)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 10670 ppm1 6.497 ppm2 4.777 volume 0.1561 assi ((( attr rmsd < 6.547) and (attr rmsd > 6.447)) and bondedto(attr rmsd < 23.407 and attr rmsd > 22.407)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 20670 ppm1 6.497 ppm2 4.777 volume 0.1561 assi ((( attr rmsd < 6.969) and (attr rmsd > 6.869)) and bondedto(attr rmsd < 70.821 and attr rmsd > 69.821)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 10671 ppm1 6.919 ppm2 4.771 volume 0.1643 assi ((( attr rmsd < 6.969) and (attr rmsd > 6.869)) and bondedto(attr rmsd < 23.301 and attr rmsd > 22.301)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 20671 ppm1 6.919 ppm2 4.771 volume 0.1643 assi ((( attr rmsd < 6.883) and (attr rmsd > 6.783)) and bondedto(attr rmsd < 70.726 and attr rmsd > 69.726)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 10672 ppm1 6.833 ppm2 4.778 volume 0.1586 assi ((( attr rmsd < 6.883) and (attr rmsd > 6.783)) and bondedto(attr rmsd < 23.206 and attr rmsd > 22.206)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 20672 ppm1 6.833 ppm2 4.778 volume 0.1586 assi ((( attr rmsd < 6.808) and (attr rmsd > 6.708)) and bondedto(attr rmsd < 70.686 and attr rmsd > 69.686)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 10673 ppm1 6.758 ppm2 4.778 volume 0.2104 assi ((( attr rmsd < 6.808) and (attr rmsd > 6.708)) and bondedto(attr rmsd < 23.166 and attr rmsd > 22.166)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 20673 ppm1 6.758 ppm2 4.778 volume 0.2104 assi ((( attr rmsd < 9.167) and (attr rmsd > 9.067)) and bondedto(attr rmsd < 46.697 and attr rmsd > 45.697)) ( attr rmsd < 5.005 and attr rmsd > 4.905) 6 6 0 peak 674 ppm1 9.117 ppm2 4.955 volume 0.2671 assi ((( attr rmsd < 9.165) and (attr rmsd > 9.065)) and bondedto(attr rmsd < 46.689 and attr rmsd > 45.689)) ( attr rmsd < 4.783 and attr rmsd > 4.683) 6 6 0 peak 675 ppm1 9.115 ppm2 4.733 volume 1.2278 assi ((( attr rmsd < 9.165) and (attr rmsd > 9.065)) and bondedto(attr rmsd < 46.674 and attr rmsd > 45.674)) ( attr rmsd < 4.542 and attr rmsd > 4.442) 6 6 0 peak 676 ppm1 9.115 ppm2 4.492 volume 0.3467 assi ((( attr rmsd < 9.164) and (attr rmsd > 9.064)) and bondedto(attr rmsd < 46.681 and attr rmsd > 45.681)) ( attr rmsd < 2.479 and attr rmsd > 2.379) 6 6 0 peak 677 ppm1 9.114 ppm2 2.429 volume 0.1623 assi ((( attr rmsd < 9.166) and (attr rmsd > 9.066)) and bondedto(attr rmsd < 46.699 and attr rmsd > 45.699)) ( attr rmsd < 2.104 and attr rmsd > 2.004) 6 6 0 peak 678 ppm1 9.116 ppm2 2.054 volume 0.1960 assi ((( attr rmsd < 9.163) and (attr rmsd > 9.063)) and bondedto(attr rmsd < 46.691 and attr rmsd > 45.691)) ( attr rmsd < 1.962 and attr rmsd > 1.862) 6 6 0 peak 679 ppm1 9.113 ppm2 1.912 volume 0.2388 assi ((( attr rmsd < 9.165) and (attr rmsd > 9.065)) and bondedto(attr rmsd < 46.665 and attr rmsd > 45.665)) ( attr rmsd < 1.773 and attr rmsd > 1.673) 6 6 0 peak 680 ppm1 9.115 ppm2 1.723 volume 0.1949 assi ((( attr rmsd < 9.160) and (attr rmsd > 9.060)) and bondedto(attr rmsd < 46.679 and attr rmsd > 45.679)) ( attr rmsd < 0.872 and attr rmsd > 0.772) 6 6 0 peak 681 ppm1 9.110 ppm2 0.822 volume 0.2420 assi ((( attr rmsd < 9.164) and (attr rmsd > 9.064)) and bondedto(attr rmsd < 46.665 and attr rmsd > 45.665)) ( attr rmsd < 0.776 and attr rmsd > 0.676) 6 6 0 peak 682 ppm1 9.114 ppm2 0.726 volume 0.2923 assi ((( attr rmsd < 9.163) and (attr rmsd > 9.063)) and bondedto(attr rmsd < 46.685 and attr rmsd > 45.685)) ( attr rmsd < 0.558 and attr rmsd > 0.458) 6 6 0 peak 683 ppm1 9.113 ppm2 0.508 volume 0.4816 assi ((( attr rmsd < 8.457) and (attr rmsd > 8.357)) and bondedto(attr rmsd < 70.216 and attr rmsd > 69.216)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 10684 ppm1 8.407 ppm2 4.773 volume 0.1568 assi ((( attr rmsd < 8.457) and (attr rmsd > 8.357)) and bondedto(attr rmsd < 22.696 and attr rmsd > 21.696)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 20684 ppm1 8.407 ppm2 4.773 volume 0.1568 assi ((( attr rmsd < 8.288) and (attr rmsd > 8.188)) and bondedto(attr rmsd < 70.280 and attr rmsd > 69.280)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 10685 ppm1 8.238 ppm2 4.777 volume 0.1634 assi ((( attr rmsd < 8.288) and (attr rmsd > 8.188)) and bondedto(attr rmsd < 22.760 and attr rmsd > 21.760)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 20685 ppm1 8.238 ppm2 4.777 volume 0.1634 assi ((( attr rmsd < 8.252) and (attr rmsd > 8.152)) and bondedto(attr rmsd < 70.225 and attr rmsd > 69.225)) ( attr rmsd < 4.543 and attr rmsd > 4.443) 6 6 0 peak 10686 ppm1 8.202 ppm2 4.493 volume 0.1567 assi ((( attr rmsd < 8.252) and (attr rmsd > 8.152)) and bondedto(attr rmsd < 22.705 and attr rmsd > 21.705)) ( attr rmsd < 4.543 and attr rmsd > 4.443) 6 6 0 peak 20686 ppm1 8.202 ppm2 4.493 volume 0.1567 assi ((( attr rmsd < 9.163) and (attr rmsd > 9.063)) and bondedto(attr rmsd < 46.431 and attr rmsd > 45.431)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 687 ppm1 9.113 ppm2 1.207 volume 0.1726 assi ((( attr rmsd < 6.684) and (attr rmsd > 6.584)) and bondedto(attr rmsd < 70.122 and attr rmsd > 69.122)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 10688 ppm1 6.634 ppm2 4.774 volume 0.3852 assi ((( attr rmsd < 6.684) and (attr rmsd > 6.584)) and bondedto(attr rmsd < 22.602 and attr rmsd > 21.602)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 20688 ppm1 6.634 ppm2 4.774 volume 0.3852 assi ((( attr rmsd < 6.689) and (attr rmsd > 6.589)) and bondedto(attr rmsd < 70.057 and attr rmsd > 69.057)) ( attr rmsd < 0.964 and attr rmsd > 0.864) 6 6 0 peak 10689 ppm1 6.639 ppm2 0.914 volume 0.2921 assi ((( attr rmsd < 6.689) and (attr rmsd > 6.589)) and bondedto(attr rmsd < 22.537 and attr rmsd > 21.537)) ( attr rmsd < 0.964 and attr rmsd > 0.864) 6 6 0 peak 20689 ppm1 6.639 ppm2 0.914 volume 0.2921 assi ((( attr rmsd < 9.528) and (attr rmsd > 9.428)) and bondedto(attr rmsd < 46.283 and attr rmsd > 45.283)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 690 ppm1 9.478 ppm2 1.204 volume 0.1475 assi ((( attr rmsd < 9.416) and (attr rmsd > 9.316)) and bondedto(attr rmsd < 46.262 and attr rmsd > 45.262)) ( attr rmsd < 1.255 and attr rmsd > 1.155) 6 6 0 peak 691 ppm1 9.366 ppm2 1.205 volume 0.1619 assi ((( attr rmsd < 9.327) and (attr rmsd > 9.227)) and bondedto(attr rmsd < 46.222 and attr rmsd > 45.222)) ( attr rmsd < 1.251 and attr rmsd > 1.151) 6 6 0 peak 692 ppm1 9.277 ppm2 1.201 volume 0.1447 assi ((( attr rmsd < 9.271) and (attr rmsd > 9.171)) and bondedto(attr rmsd < 46.291 and attr rmsd > 45.291)) ( attr rmsd < 1.259 and attr rmsd > 1.159) 6 6 0 peak 693 ppm1 9.221 ppm2 1.209 volume 0.1482 assi ((( attr rmsd < 9.043) and (attr rmsd > 8.943)) and bondedto(attr rmsd < 46.225 and attr rmsd > 45.225)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 694 ppm1 8.993 ppm2 1.207 volume 0.1547 assi ((( attr rmsd < 8.604) and (attr rmsd > 8.504)) and bondedto(attr rmsd < 46.288 and attr rmsd > 45.288)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 695 ppm1 8.554 ppm2 1.207 volume 0.1453 assi ((( attr rmsd < 8.189) and (attr rmsd > 8.089)) and bondedto(attr rmsd < 46.226 and attr rmsd > 45.226)) ( attr rmsd < 1.258 and attr rmsd > 1.158) 6 6 0 peak 696 ppm1 8.139 ppm2 1.208 volume 0.1491 assi ((( attr rmsd < 9.536) and (attr rmsd > 9.436)) and bondedto(attr rmsd < 46.090 and attr rmsd > 45.090)) ( attr rmsd < 4.394 and attr rmsd > 4.294) 6 6 0 peak 697 ppm1 9.486 ppm2 4.344 volume 0.1545 assi ((( attr rmsd < 9.535) and (attr rmsd > 9.435)) and bondedto(attr rmsd < 46.092 and attr rmsd > 45.092)) ( attr rmsd < 1.610 and attr rmsd > 1.510) 6 6 0 peak 698 ppm1 9.485 ppm2 1.560 volume 0.2501 assi ((( attr rmsd < 9.533) and (attr rmsd > 9.433)) and bondedto(attr rmsd < 46.094 and attr rmsd > 45.094)) ( attr rmsd < 4.738 and attr rmsd > 4.638) 6 6 0 peak 699 ppm1 9.483 ppm2 4.688 volume 1.1186 assi ((( attr rmsd < 9.531) and (attr rmsd > 9.431)) and bondedto(attr rmsd < 46.081 and attr rmsd > 45.081)) ( attr rmsd < 1.968 and attr rmsd > 1.868) 6 6 0 peak 700 ppm1 9.481 ppm2 1.918 volume 0.3608 assi ((( attr rmsd < 9.533) and (attr rmsd > 9.433)) and bondedto(attr rmsd < 46.068 and attr rmsd > 45.068)) ( attr rmsd < 1.774 and attr rmsd > 1.674) 6 6 0 peak 701 ppm1 9.483 ppm2 1.724 volume 0.1839 assi ((( attr rmsd < 9.531) and (attr rmsd > 9.431)) and bondedto(attr rmsd < 46.100 and attr rmsd > 45.100)) ( attr rmsd < 0.781 and attr rmsd > 0.681) 6 6 0 peak 702 ppm1 9.481 ppm2 0.731 volume 0.7224 assi ((( attr rmsd < 9.459) and (attr rmsd > 9.359)) and bondedto(attr rmsd < 46.162 and attr rmsd > 45.162)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 703 ppm1 9.409 ppm2 1.204 volume 0.1467 assi ((( attr rmsd < 8.317) and (attr rmsd > 8.217)) and bondedto(attr rmsd < 46.188 and attr rmsd > 45.188)) ( attr rmsd < 1.259 and attr rmsd > 1.159) 6 6 0 peak 704 ppm1 8.267 ppm2 1.209 volume 0.1463 assi ((( attr rmsd < 9.163) and (attr rmsd > 9.063)) and bondedto(attr rmsd < 69.639 and attr rmsd > 68.639)) ( attr rmsd < 4.792 and attr rmsd > 4.692) 6 6 0 peak 10705 ppm1 9.113 ppm2 4.742 volume 0.1661 assi ((( attr rmsd < 9.163) and (attr rmsd > 9.063)) and bondedto(attr rmsd < 22.119 and attr rmsd > 21.119)) ( attr rmsd < 4.792 and attr rmsd > 4.692) 6 6 0 peak 20705 ppm1 9.113 ppm2 4.742 volume 0.1661 assi ((( attr rmsd < 9.533) and (attr rmsd > 9.433)) and bondedto(attr rmsd < 45.968 and attr rmsd > 44.968)) ( attr rmsd < 0.983 and attr rmsd > 0.883) 6 6 0 peak 706 ppm1 9.483 ppm2 0.933 volume 0.4297 assi ((( attr rmsd < 8.834) and (attr rmsd > 8.734)) and bondedto(attr rmsd < 45.956 and attr rmsd > 44.956)) ( attr rmsd < 4.395 and attr rmsd > 4.295) 6 6 0 peak 707 ppm1 8.784 ppm2 4.345 volume 0.9584 assi ((( attr rmsd < 8.834) and (attr rmsd > 8.734)) and bondedto(attr rmsd < 45.924 and attr rmsd > 44.924)) ( attr rmsd < 1.929 and attr rmsd > 1.829) 6 6 0 peak 708 ppm1 8.784 ppm2 1.879 volume 0.8427 assi ((( attr rmsd < 8.835) and (attr rmsd > 8.735)) and bondedto(attr rmsd < 45.903 and attr rmsd > 44.903)) ( attr rmsd < 0.978 and attr rmsd > 0.878) 6 6 0 peak 709 ppm1 8.785 ppm2 0.928 volume 1.0826 assi ((( attr rmsd < 8.254) and (attr rmsd > 8.154)) and bondedto(attr rmsd < 45.864 and attr rmsd > 44.864)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 710 ppm1 8.204 ppm2 1.207 volume 0.1616 assi ((( attr rmsd < 8.295) and (attr rmsd > 8.195)) and bondedto(attr rmsd < 69.444 and attr rmsd > 68.444)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 10711 ppm1 8.245 ppm2 4.774 volume 0.3326 assi ((( attr rmsd < 8.295) and (attr rmsd > 8.195)) and bondedto(attr rmsd < 21.924 and attr rmsd > 20.924)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 20711 ppm1 8.245 ppm2 4.774 volume 0.3326 assi ((( attr rmsd < 8.255) and (attr rmsd > 8.155)) and bondedto(attr rmsd < 45.667 and attr rmsd > 44.667)) ( attr rmsd < 4.691 and attr rmsd > 4.591) 6 6 0 peak 712 ppm1 8.205 ppm2 4.641 volume 0.4145 assi ((( attr rmsd < 8.941) and (attr rmsd > 8.841)) and bondedto(attr rmsd < 69.230 and attr rmsd > 68.230)) ( attr rmsd < 0.149 and attr rmsd > 0.049) 6 6 0 peak 10713 ppm1 8.891 ppm2 0.099 volume 0.1499 assi ((( attr rmsd < 8.941) and (attr rmsd > 8.841)) and bondedto(attr rmsd < 21.710 and attr rmsd > 20.710)) ( attr rmsd < 0.149 and attr rmsd > 0.049) 6 6 0 peak 20713 ppm1 8.891 ppm2 0.099 volume 0.1499 assi ((( attr rmsd < 8.460) and (attr rmsd > 8.360)) and bondedto(attr rmsd < 69.395 and attr rmsd > 68.395)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 10714 ppm1 8.410 ppm2 4.776 volume 0.3049 assi ((( attr rmsd < 8.460) and (attr rmsd > 8.360)) and bondedto(attr rmsd < 21.875 and attr rmsd > 20.875)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 20714 ppm1 8.410 ppm2 4.776 volume 0.3049 assi ((( attr rmsd < 8.952) and (attr rmsd > 8.852)) and bondedto(attr rmsd < 45.476 and attr rmsd > 44.476)) ( attr rmsd < 5.008 and attr rmsd > 4.908) 6 6 0 peak 715 ppm1 8.902 ppm2 4.958 volume 1.0006 assi ((( attr rmsd < 8.952) and (attr rmsd > 8.852)) and bondedto(attr rmsd < 45.482 and attr rmsd > 44.482)) ( attr rmsd < 0.899 and attr rmsd > 0.799) 6 6 0 peak 716 ppm1 8.902 ppm2 0.849 volume 1.0431 assi ((( attr rmsd < 8.891) and (attr rmsd > 8.791)) and bondedto(attr rmsd < 45.613 and attr rmsd > 44.613)) ( attr rmsd < 5.843 and attr rmsd > 5.743) 6 6 0 peak 717 ppm1 8.841 ppm2 5.793 volume 0.1643 assi ((( attr rmsd < 8.886) and (attr rmsd > 8.786)) and bondedto(attr rmsd < 45.585 and attr rmsd > 44.585)) ( attr rmsd < 4.722 and attr rmsd > 4.622) 6 6 0 peak 718 ppm1 8.836 ppm2 4.672 volume 0.9427 assi ((( attr rmsd < 8.887) and (attr rmsd > 8.787)) and bondedto(attr rmsd < 45.595 and attr rmsd > 44.595)) ( attr rmsd < 1.684 and attr rmsd > 1.584) 6 6 0 peak 719 ppm1 8.837 ppm2 1.634 volume 0.4803 assi ((( attr rmsd < 8.891) and (attr rmsd > 8.791)) and bondedto(attr rmsd < 45.644 and attr rmsd > 44.644)) ( attr rmsd < 0.619 and attr rmsd > 0.519) 6 6 0 peak 720 ppm1 8.841 ppm2 0.569 volume 0.2012 assi ((( attr rmsd < 8.251) and (attr rmsd > 8.151)) and bondedto(attr rmsd < 45.646 and attr rmsd > 44.646)) ( attr rmsd < 4.543 and attr rmsd > 4.443) 6 6 0 peak 721 ppm1 8.201 ppm2 4.493 volume 1.4546 assi ((( attr rmsd < 8.252) and (attr rmsd > 8.152)) and bondedto(attr rmsd < 45.646 and attr rmsd > 44.646)) ( attr rmsd < 2.859 and attr rmsd > 2.759) 6 6 0 peak 722 ppm1 8.202 ppm2 2.809 volume 0.3854 assi ((( attr rmsd < 8.250) and (attr rmsd > 8.150)) and bondedto(attr rmsd < 45.640 and attr rmsd > 44.640)) ( attr rmsd < 2.591 and attr rmsd > 2.491) 6 6 0 peak 723 ppm1 8.200 ppm2 2.541 volume 0.7517 assi ((( attr rmsd < 8.251) and (attr rmsd > 8.151)) and bondedto(attr rmsd < 45.638 and attr rmsd > 44.638)) ( attr rmsd < 2.113 and attr rmsd > 2.013) 6 6 0 peak 724 ppm1 8.201 ppm2 2.063 volume 0.2225 assi ((( attr rmsd < 8.249) and (attr rmsd > 8.149)) and bondedto(attr rmsd < 45.646 and attr rmsd > 44.646)) ( attr rmsd < 1.970 and attr rmsd > 1.870) 6 6 0 peak 725 ppm1 8.199 ppm2 1.920 volume 0.2204 assi ((( attr rmsd < 8.248) and (attr rmsd > 8.148)) and bondedto(attr rmsd < 45.619 and attr rmsd > 44.619)) ( attr rmsd < 2.481 and attr rmsd > 2.381) 6 6 0 peak 726 ppm1 8.198 ppm2 2.431 volume 0.3151 assi ((( attr rmsd < 8.246) and (attr rmsd > 8.146)) and bondedto(attr rmsd < 45.644 and attr rmsd > 44.644)) ( attr rmsd < 1.777 and attr rmsd > 1.677) 6 6 0 peak 727 ppm1 8.196 ppm2 1.727 volume 0.1922 assi ((( attr rmsd < 8.940) and (attr rmsd > 8.840)) and bondedto(attr rmsd < 45.410 and attr rmsd > 44.410)) ( attr rmsd < 5.468 and attr rmsd > 5.368) 6 6 0 peak 728 ppm1 8.890 ppm2 5.418 volume 0.1467 assi ((( attr rmsd < 8.946) and (attr rmsd > 8.846)) and bondedto(attr rmsd < 45.406 and attr rmsd > 44.406)) ( attr rmsd < 4.698 and attr rmsd > 4.598) 6 6 0 peak 729 ppm1 8.896 ppm2 4.648 volume 1.1643 assi ((( attr rmsd < 8.949) and (attr rmsd > 8.849)) and bondedto(attr rmsd < 45.458 and attr rmsd > 44.458)) ( attr rmsd < 2.322 and attr rmsd > 2.222) 6 6 0 peak 730 ppm1 8.899 ppm2 2.272 volume 0.4738 assi ((( attr rmsd < 8.943) and (attr rmsd > 8.843)) and bondedto(attr rmsd < 45.389 and attr rmsd > 44.389)) ( attr rmsd < 2.038 and attr rmsd > 1.938) 6 6 0 peak 731 ppm1 8.893 ppm2 1.988 volume 0.1457 assi ((( attr rmsd < 8.947) and (attr rmsd > 8.847)) and bondedto(attr rmsd < 45.405 and attr rmsd > 44.405)) ( attr rmsd < 1.750 and attr rmsd > 1.650) 6 6 0 peak 732 ppm1 8.897 ppm2 1.700 volume 0.6322 assi ((( attr rmsd < 8.950) and (attr rmsd > 8.850)) and bondedto(attr rmsd < 45.443 and attr rmsd > 44.443)) ( attr rmsd < 1.401 and attr rmsd > 1.301) 6 6 0 peak 733 ppm1 8.900 ppm2 1.351 volume 0.6081 assi ((( attr rmsd < 8.950) and (attr rmsd > 8.850)) and bondedto(attr rmsd < 45.460 and attr rmsd > 44.460)) ( attr rmsd < 0.787 and attr rmsd > 0.687) 6 6 0 peak 734 ppm1 8.900 ppm2 0.737 volume 1.2320 assi ((( attr rmsd < 8.948) and (attr rmsd > 8.848)) and bondedto(attr rmsd < 45.403 and attr rmsd > 44.403)) ( attr rmsd < 0.587 and attr rmsd > 0.487) 6 6 0 peak 735 ppm1 8.898 ppm2 0.537 volume 0.4655 assi ((( attr rmsd < 8.832) and (attr rmsd > 8.732)) and bondedto(attr rmsd < 45.453 and attr rmsd > 44.453)) ( attr rmsd < 1.699 and attr rmsd > 1.599) 6 6 0 peak 736 ppm1 8.782 ppm2 1.649 volume 0.3892 assi ((( attr rmsd < 8.834) and (attr rmsd > 8.734)) and bondedto(attr rmsd < 45.397 and attr rmsd > 44.397)) ( attr rmsd < 0.815 and attr rmsd > 0.715) 6 6 0 peak 737 ppm1 8.784 ppm2 0.765 volume 0.4888 assi ((( attr rmsd < 8.828) and (attr rmsd > 8.728)) and bondedto(attr rmsd < 45.390 and attr rmsd > 44.390)) ( attr rmsd < 4.976 and attr rmsd > 4.876) 6 6 0 peak 738 ppm1 8.778 ppm2 4.926 volume 0.1950 assi ((( attr rmsd < 9.238) and (attr rmsd > 9.138)) and bondedto(attr rmsd < 44.948 and attr rmsd > 43.948)) ( attr rmsd < 5.031 and attr rmsd > 4.931) 6 6 0 peak 739 ppm1 9.188 ppm2 4.981 volume 1.1484 assi ((( attr rmsd < 9.241) and (attr rmsd > 9.141)) and bondedto(attr rmsd < 44.969 and attr rmsd > 43.969)) ( attr rmsd < 4.737 and attr rmsd > 4.637) 6 6 0 peak 740 ppm1 9.191 ppm2 4.687 volume 0.2007 assi ((( attr rmsd < 9.239) and (attr rmsd > 9.139)) and bondedto(attr rmsd < 44.953 and attr rmsd > 43.953)) ( attr rmsd < 1.776 and attr rmsd > 1.676) 6 6 0 peak 741 ppm1 9.189 ppm2 1.726 volume 0.6280 assi ((( attr rmsd < 9.241) and (attr rmsd > 9.141)) and bondedto(attr rmsd < 44.934 and attr rmsd > 43.934)) ( attr rmsd < 0.906 and attr rmsd > 0.806) 6 6 0 peak 742 ppm1 9.191 ppm2 0.856 volume 0.7067 assi ((( attr rmsd < 9.242) and (attr rmsd > 9.142)) and bondedto(attr rmsd < 44.950 and attr rmsd > 43.950)) ( attr rmsd < 0.782 and attr rmsd > 0.682) 6 6 0 peak 743 ppm1 9.192 ppm2 0.732 volume 0.6982 assi ((( attr rmsd < 8.858) and (attr rmsd > 8.758)) and bondedto(attr rmsd < 44.957 and attr rmsd > 43.957)) ( attr rmsd < 4.544 and attr rmsd > 4.444) 6 6 0 peak 744 ppm1 8.808 ppm2 4.494 volume 1.3905 assi ((( attr rmsd < 8.859) and (attr rmsd > 8.759)) and bondedto(attr rmsd < 44.971 and attr rmsd > 43.971)) ( attr rmsd < 2.071 and attr rmsd > 1.971) 6 6 0 peak 745 ppm1 8.809 ppm2 2.021 volume 0.2150 assi ((( attr rmsd < 8.858) and (attr rmsd > 8.758)) and bondedto(attr rmsd < 44.951 and attr rmsd > 43.951)) ( attr rmsd < 1.797 and attr rmsd > 1.697) 6 6 0 peak 746 ppm1 8.808 ppm2 1.747 volume 1.1172 assi ((( attr rmsd < 8.858) and (attr rmsd > 8.758)) and bondedto(attr rmsd < 44.984 and attr rmsd > 43.984)) ( attr rmsd < 0.989 and attr rmsd > 0.889) 6 6 0 peak 747 ppm1 8.808 ppm2 0.939 volume 1.0876 assi ((( attr rmsd < 7.737) and (attr rmsd > 7.637)) and bondedto(attr rmsd < 44.925 and attr rmsd > 43.925)) ( attr rmsd < 4.780 and attr rmsd > 4.680) 6 6 0 peak 748 ppm1 7.687 ppm2 4.730 volume 0.5069 assi ((( attr rmsd < 7.738) and (attr rmsd > 7.638)) and bondedto(attr rmsd < 44.922 and attr rmsd > 43.922)) ( attr rmsd < 4.113 and attr rmsd > 4.013) 6 6 0 peak 749 ppm1 7.688 ppm2 4.063 volume 0.2842 assi ((( attr rmsd < 7.738) and (attr rmsd > 7.638)) and bondedto(attr rmsd < 44.922 and attr rmsd > 43.922)) ( attr rmsd < 2.942 and attr rmsd > 2.842) 6 6 0 peak 750 ppm1 7.688 ppm2 2.892 volume 0.9437 assi ((( attr rmsd < 7.738) and (attr rmsd > 7.638)) and bondedto(attr rmsd < 44.917 and attr rmsd > 43.917)) ( attr rmsd < 2.786 and attr rmsd > 2.686) 6 6 0 peak 751 ppm1 7.688 ppm2 2.736 volume 0.8245 assi ((( attr rmsd < 7.738) and (attr rmsd > 7.638)) and bondedto(attr rmsd < 44.909 and attr rmsd > 43.909)) ( attr rmsd < 2.066 and attr rmsd > 1.966) 6 6 0 peak 752 ppm1 7.688 ppm2 2.016 volume 0.1998 assi ((( attr rmsd < 7.736) and (attr rmsd > 7.636)) and bondedto(attr rmsd < 44.919 and attr rmsd > 43.919)) ( attr rmsd < 1.782 and attr rmsd > 1.682) 6 6 0 peak 753 ppm1 7.686 ppm2 1.732 volume 0.3428 assi ((( attr rmsd < 7.739) and (attr rmsd > 7.639)) and bondedto(attr rmsd < 44.906 and attr rmsd > 43.906)) ( attr rmsd < 1.482 and attr rmsd > 1.382) 6 6 0 peak 754 ppm1 7.689 ppm2 1.432 volume 0.3975 assi ((( attr rmsd < 8.895) and (attr rmsd > 8.795)) and bondedto(attr rmsd < 68.567 and attr rmsd > 67.567)) ( attr rmsd < 4.746 and attr rmsd > 4.646) 6 6 0 peak 10755 ppm1 8.845 ppm2 4.696 volume 0.2233 assi ((( attr rmsd < 8.895) and (attr rmsd > 8.795)) and bondedto(attr rmsd < 21.047 and attr rmsd > 20.047)) ( attr rmsd < 4.746 and attr rmsd > 4.646) 6 6 0 peak 20755 ppm1 8.845 ppm2 4.696 volume 0.2233 assi ((( attr rmsd < 8.256) and (attr rmsd > 8.156)) and bondedto(attr rmsd < 68.596 and attr rmsd > 67.596)) ( attr rmsd < 4.545 and attr rmsd > 4.445) 6 6 0 peak 10756 ppm1 8.206 ppm2 4.495 volume 0.2363 assi ((( attr rmsd < 8.256) and (attr rmsd > 8.156)) and bondedto(attr rmsd < 21.076 and attr rmsd > 20.076)) ( attr rmsd < 4.545 and attr rmsd > 4.445) 6 6 0 peak 20756 ppm1 8.206 ppm2 4.495 volume 0.2363 assi ((( attr rmsd < 8.855) and (attr rmsd > 8.755)) and bondedto(attr rmsd < 44.818 and attr rmsd > 43.818)) ( attr rmsd < 4.392 and attr rmsd > 4.292) 6 6 0 peak 757 ppm1 8.805 ppm2 4.342 volume 0.1797 assi ((( attr rmsd < 8.460) and (attr rmsd > 8.360)) and bondedto(attr rmsd < 44.813 and attr rmsd > 43.813)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 758 ppm1 8.410 ppm2 4.775 volume 4.1783 assi ((( attr rmsd < 8.289) and (attr rmsd > 8.189)) and bondedto(attr rmsd < 44.862 and attr rmsd > 43.862)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 759 ppm1 8.239 ppm2 4.774 volume 3.8081 assi ((( attr rmsd < 8.293) and (attr rmsd > 8.193)) and bondedto(attr rmsd < 44.781 and attr rmsd > 43.781)) ( attr rmsd < 4.414 and attr rmsd > 4.314) 6 6 0 peak 760 ppm1 8.243 ppm2 4.364 volume 0.1989 assi ((( attr rmsd < 8.291) and (attr rmsd > 8.191)) and bondedto(attr rmsd < 44.849 and attr rmsd > 43.849)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 761 ppm1 8.241 ppm2 4.142 volume 0.7116 assi ((( attr rmsd < 8.292) and (attr rmsd > 8.192)) and bondedto(attr rmsd < 44.849 and attr rmsd > 43.849)) ( attr rmsd < 1.673 and attr rmsd > 1.573) 6 6 0 peak 762 ppm1 8.242 ppm2 1.623 volume 0.4235 assi ((( attr rmsd < 8.555) and (attr rmsd > 8.455)) and bondedto(attr rmsd < 44.595 and attr rmsd > 43.595)) ( attr rmsd < 4.949 and attr rmsd > 4.849) 6 6 0 peak 763 ppm1 8.505 ppm2 4.899 volume 1.1206 assi ((( attr rmsd < 8.554) and (attr rmsd > 8.454)) and bondedto(attr rmsd < 44.564 and attr rmsd > 43.564)) ( attr rmsd < 3.133 and attr rmsd > 3.033) 6 6 0 peak 764 ppm1 8.504 ppm2 3.083 volume 0.1552 assi ((( attr rmsd < 8.556) and (attr rmsd > 8.456)) and bondedto(attr rmsd < 44.583 and attr rmsd > 43.583)) ( attr rmsd < 1.836 and attr rmsd > 1.736) 6 6 0 peak 765 ppm1 8.506 ppm2 1.786 volume 0.5002 assi ((( attr rmsd < 8.556) and (attr rmsd > 8.456)) and bondedto(attr rmsd < 44.547 and attr rmsd > 43.547)) ( attr rmsd < 0.894 and attr rmsd > 0.794) 6 6 0 peak 766 ppm1 8.506 ppm2 0.844 volume 0.3510 assi ((( attr rmsd < 8.199) and (attr rmsd > 8.099)) and bondedto(attr rmsd < 67.970 and attr rmsd > 66.970)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 10767 ppm1 8.149 ppm2 4.775 volume 0.4239 assi ((( attr rmsd < 8.199) and (attr rmsd > 8.099)) and bondedto(attr rmsd < 20.450 and attr rmsd > 19.450)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 20767 ppm1 8.149 ppm2 4.775 volume 0.4239 assi ((( attr rmsd < 8.864) and (attr rmsd > 8.764)) and bondedto(attr rmsd < 67.897 and attr rmsd > 66.897)) ( attr rmsd < 4.540 and attr rmsd > 4.440) 6 6 0 peak 10768 ppm1 8.814 ppm2 4.490 volume 0.1561 assi ((( attr rmsd < 8.864) and (attr rmsd > 8.764)) and bondedto(attr rmsd < 20.377 and attr rmsd > 19.377)) ( attr rmsd < 4.540 and attr rmsd > 4.440) 6 6 0 peak 20768 ppm1 8.814 ppm2 4.490 volume 0.1561 assi ((( attr rmsd < 8.892) and (attr rmsd > 8.792)) and bondedto(attr rmsd < 44.049 and attr rmsd > 43.049)) ( attr rmsd < 4.952 and attr rmsd > 4.852) 6 6 0 peak 769 ppm1 8.842 ppm2 4.902 volume 0.3293 assi ((( attr rmsd < 8.893) and (attr rmsd > 8.793)) and bondedto(attr rmsd < 44.035 and attr rmsd > 43.035)) ( attr rmsd < 3.128 and attr rmsd > 3.028) 6 6 0 peak 770 ppm1 8.843 ppm2 3.078 volume 0.3122 assi ((( attr rmsd < 8.896) and (attr rmsd > 8.796)) and bondedto(attr rmsd < 44.031 and attr rmsd > 43.031)) ( attr rmsd < 3.001 and attr rmsd > 2.901) 6 6 0 peak 771 ppm1 8.846 ppm2 2.951 volume 0.3023 assi ((( attr rmsd < 8.892) and (attr rmsd > 8.792)) and bondedto(attr rmsd < 44.016 and attr rmsd > 43.016)) ( attr rmsd < 1.875 and attr rmsd > 1.775) 6 6 0 peak 772 ppm1 8.842 ppm2 1.825 volume 0.3944 assi ((( attr rmsd < 8.891) and (attr rmsd > 8.791)) and bondedto(attr rmsd < 44.030 and attr rmsd > 43.030)) ( attr rmsd < 4.745 and attr rmsd > 4.645) 6 6 0 peak 773 ppm1 8.841 ppm2 4.695 volume 1.2123 assi ((( attr rmsd < 8.496) and (attr rmsd > 8.396)) and bondedto(attr rmsd < 44.044 and attr rmsd > 43.044)) ( attr rmsd < 5.678 and attr rmsd > 5.578) 6 6 0 peak 774 ppm1 8.446 ppm2 5.628 volume 0.3470 assi ((( attr rmsd < 8.495) and (attr rmsd > 8.395)) and bondedto(attr rmsd < 44.054 and attr rmsd > 43.054)) ( attr rmsd < 5.127 and attr rmsd > 5.027) 6 6 0 peak 775 ppm1 8.445 ppm2 5.077 volume 0.6841 assi ((( attr rmsd < 8.494) and (attr rmsd > 8.394)) and bondedto(attr rmsd < 44.061 and attr rmsd > 43.061)) ( attr rmsd < 1.717 and attr rmsd > 1.617) 6 6 0 peak 776 ppm1 8.444 ppm2 1.667 volume 0.5666 assi ((( attr rmsd < 8.487) and (attr rmsd > 8.387)) and bondedto(attr rmsd < 44.060 and attr rmsd > 43.060)) ( attr rmsd < 1.536 and attr rmsd > 1.436) 6 6 0 peak 777 ppm1 8.437 ppm2 1.486 volume 0.3875 assi ((( attr rmsd < 8.496) and (attr rmsd > 8.396)) and bondedto(attr rmsd < 44.056 and attr rmsd > 43.056)) ( attr rmsd < 1.403 and attr rmsd > 1.303) 6 6 0 peak 778 ppm1 8.446 ppm2 1.353 volume 0.4417 assi ((( attr rmsd < 8.493) and (attr rmsd > 8.393)) and bondedto(attr rmsd < 44.085 and attr rmsd > 43.085)) ( attr rmsd < 0.874 and attr rmsd > 0.774) 6 6 0 peak 779 ppm1 8.443 ppm2 0.824 volume 0.4623 assi ((( attr rmsd < 8.471) and (attr rmsd > 8.371)) and bondedto(attr rmsd < 44.041 and attr rmsd > 43.041)) ( attr rmsd < 4.229 and attr rmsd > 4.129) 6 6 0 peak 780 ppm1 8.421 ppm2 4.179 volume 0.5176 assi ((( attr rmsd < 8.471) and (attr rmsd > 8.371)) and bondedto(attr rmsd < 44.062 and attr rmsd > 43.062)) ( attr rmsd < 4.038 and attr rmsd > 3.938) 6 6 0 peak 781 ppm1 8.421 ppm2 3.988 volume 0.4192 assi ((( attr rmsd < 8.471) and (attr rmsd > 8.371)) and bondedto(attr rmsd < 44.070 and attr rmsd > 43.070)) ( attr rmsd < 2.522 and attr rmsd > 2.422) 6 6 0 peak 782 ppm1 8.421 ppm2 2.472 volume 0.4390 assi ((( attr rmsd < 8.472) and (attr rmsd > 8.372)) and bondedto(attr rmsd < 44.058 and attr rmsd > 43.058)) ( attr rmsd < 2.271 and attr rmsd > 2.171) 6 6 0 peak 783 ppm1 8.422 ppm2 2.221 volume 0.5825 assi ((( attr rmsd < 8.470) and (attr rmsd > 8.370)) and bondedto(attr rmsd < 44.072 and attr rmsd > 43.072)) ( attr rmsd < 2.037 and attr rmsd > 1.937) 6 6 0 peak 784 ppm1 8.420 ppm2 1.987 volume 0.4750 assi ((( attr rmsd < 8.468) and (attr rmsd > 8.368)) and bondedto(attr rmsd < 44.065 and attr rmsd > 43.065)) ( attr rmsd < 2.389 and attr rmsd > 2.289) 6 6 0 peak 785 ppm1 8.418 ppm2 2.339 volume 0.2993 assi ((( attr rmsd < 7.722) and (attr rmsd > 7.622)) and bondedto(attr rmsd < 67.725 and attr rmsd > 66.725)) ( attr rmsd < 1.810 and attr rmsd > 1.710) 6 6 0 peak 10786 ppm1 7.672 ppm2 1.760 volume 0.1456 assi ((( attr rmsd < 7.722) and (attr rmsd > 7.622)) and bondedto(attr rmsd < 20.205 and attr rmsd > 19.205)) ( attr rmsd < 1.810 and attr rmsd > 1.710) 6 6 0 peak 20786 ppm1 7.672 ppm2 1.760 volume 0.1456 assi ((( attr rmsd < 8.884) and (attr rmsd > 8.784)) and bondedto(attr rmsd < 43.951 and attr rmsd > 42.951)) ( attr rmsd < 5.062 and attr rmsd > 4.962) 6 6 0 peak 787 ppm1 8.834 ppm2 5.012 volume 0.1916 assi ((( attr rmsd < 8.704) and (attr rmsd > 8.604)) and bondedto(attr rmsd < 43.899 and attr rmsd > 42.899)) ( attr rmsd < 5.070 and attr rmsd > 4.970) 6 6 0 peak 788 ppm1 8.654 ppm2 5.020 volume 0.2553 assi ((( attr rmsd < 8.704) and (attr rmsd > 8.604)) and bondedto(attr rmsd < 43.877 and attr rmsd > 42.877)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 789 ppm1 8.654 ppm2 4.771 volume 1.3854 assi ((( attr rmsd < 8.711) and (attr rmsd > 8.611)) and bondedto(attr rmsd < 43.930 and attr rmsd > 42.930)) ( attr rmsd < 1.432 and attr rmsd > 1.332) 6 6 0 peak 790 ppm1 8.661 ppm2 1.382 volume 0.2162 assi ((( attr rmsd < 7.907) and (attr rmsd > 7.807)) and bondedto(attr rmsd < 67.358 and attr rmsd > 66.358)) ( attr rmsd < 4.322 and attr rmsd > 4.222) 6 6 0 peak 10791 ppm1 7.857 ppm2 4.272 volume 0.1552 assi ((( attr rmsd < 7.907) and (attr rmsd > 7.807)) and bondedto(attr rmsd < 19.838 and attr rmsd > 18.838)) ( attr rmsd < 4.322 and attr rmsd > 4.222) 6 6 0 peak 20791 ppm1 7.857 ppm2 4.272 volume 0.1552 assi ((( attr rmsd < 8.658) and (attr rmsd > 8.558)) and bondedto(attr rmsd < 43.706 and attr rmsd > 42.706)) ( attr rmsd < 5.017 and attr rmsd > 4.917) 6 6 0 peak 792 ppm1 8.608 ppm2 4.967 volume 0.3588 assi ((( attr rmsd < 8.651) and (attr rmsd > 8.551)) and bondedto(attr rmsd < 43.660 and attr rmsd > 42.660)) ( attr rmsd < 4.623 and attr rmsd > 4.523) 6 6 0 peak 793 ppm1 8.601 ppm2 4.573 volume 1.1984 assi ((( attr rmsd < 8.652) and (attr rmsd > 8.552)) and bondedto(attr rmsd < 43.645 and attr rmsd > 42.645)) ( attr rmsd < 2.940 and attr rmsd > 2.840) 6 6 0 peak 794 ppm1 8.602 ppm2 2.890 volume 0.2451 assi ((( attr rmsd < 8.651) and (attr rmsd > 8.551)) and bondedto(attr rmsd < 43.680 and attr rmsd > 42.680)) ( attr rmsd < 2.786 and attr rmsd > 2.686) 6 6 0 peak 795 ppm1 8.601 ppm2 2.736 volume 0.1883 assi ((( attr rmsd < 8.651) and (attr rmsd > 8.551)) and bondedto(attr rmsd < 43.669 and attr rmsd > 42.669)) ( attr rmsd < 2.052 and attr rmsd > 1.952) 6 6 0 peak 796 ppm1 8.601 ppm2 2.002 volume 0.3145 assi ((( attr rmsd < 8.653) and (attr rmsd > 8.553)) and bondedto(attr rmsd < 43.662 and attr rmsd > 42.662)) ( attr rmsd < 1.748 and attr rmsd > 1.648) 6 6 0 peak 797 ppm1 8.603 ppm2 1.698 volume 1.0712 assi ((( attr rmsd < 8.646) and (attr rmsd > 8.546)) and bondedto(attr rmsd < 43.670 and attr rmsd > 42.670)) ( attr rmsd < 0.874 and attr rmsd > 0.774) 6 6 0 peak 798 ppm1 8.596 ppm2 0.824 volume 0.2118 assi ((( attr rmsd < 8.432) and (attr rmsd > 8.332)) and bondedto(attr rmsd < 43.664 and attr rmsd > 42.664)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 799 ppm1 8.382 ppm2 4.774 volume 3.4243 assi ((( attr rmsd < 8.302) and (attr rmsd > 8.202)) and bondedto(attr rmsd < 43.629 and attr rmsd > 42.629)) ( attr rmsd < 1.725 and attr rmsd > 1.625) 6 6 0 peak 800 ppm1 8.252 ppm2 1.675 volume 0.1755 assi ((( attr rmsd < 7.933) and (attr rmsd > 7.833)) and bondedto(attr rmsd < 67.286 and attr rmsd > 66.286)) ( attr rmsd < 1.577 and attr rmsd > 1.477) 6 6 0 peak 10801 ppm1 7.883 ppm2 1.527 volume 0.1965 assi ((( attr rmsd < 7.933) and (attr rmsd > 7.833)) and bondedto(attr rmsd < 19.766 and attr rmsd > 18.766)) ( attr rmsd < 1.577 and attr rmsd > 1.477) 6 6 0 peak 20801 ppm1 7.883 ppm2 1.527 volume 0.1965 assi ((( attr rmsd < 8.552) and (attr rmsd > 8.452)) and bondedto(attr rmsd < 43.533 and attr rmsd > 42.533)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 802 ppm1 8.502 ppm2 4.775 volume 4.0261 assi ((( attr rmsd < 8.556) and (attr rmsd > 8.456)) and bondedto(attr rmsd < 43.531 and attr rmsd > 42.531)) ( attr rmsd < 4.379 and attr rmsd > 4.279) 6 6 0 peak 803 ppm1 8.506 ppm2 4.329 volume 0.1730 assi ((( attr rmsd < 8.271) and (attr rmsd > 8.171)) and bondedto(attr rmsd < 43.439 and attr rmsd > 42.439)) ( attr rmsd < 4.383 and attr rmsd > 4.283) 6 6 0 peak 804 ppm1 8.221 ppm2 4.333 volume 0.7260 assi ((( attr rmsd < 8.272) and (attr rmsd > 8.172)) and bondedto(attr rmsd < 43.446 and attr rmsd > 42.446)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 805 ppm1 8.222 ppm2 0.890 volume 0.1578 assi ((( attr rmsd < 8.260) and (attr rmsd > 8.160)) and bondedto(attr rmsd < 43.447 and attr rmsd > 42.447)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 806 ppm1 8.210 ppm2 4.142 volume 0.1552 assi ((( attr rmsd < 8.260) and (attr rmsd > 8.160)) and bondedto(attr rmsd < 43.452 and attr rmsd > 42.452)) ( attr rmsd < 1.928 and attr rmsd > 1.828) 6 6 0 peak 807 ppm1 8.210 ppm2 1.878 volume 0.3220 assi ((( attr rmsd < 8.176) and (attr rmsd > 8.076)) and bondedto(attr rmsd < 43.474 and attr rmsd > 42.474)) ( attr rmsd < 4.485 and attr rmsd > 4.385) 6 6 0 peak 808 ppm1 8.126 ppm2 4.435 volume 1.4080 assi ((( attr rmsd < 8.178) and (attr rmsd > 8.078)) and bondedto(attr rmsd < 43.471 and attr rmsd > 42.471)) ( attr rmsd < 2.164 and attr rmsd > 2.064) 6 6 0 peak 809 ppm1 8.128 ppm2 2.114 volume 0.6132 assi ((( attr rmsd < 8.177) and (attr rmsd > 8.077)) and bondedto(attr rmsd < 43.471 and attr rmsd > 42.471)) ( attr rmsd < 1.033 and attr rmsd > 0.933) 6 6 0 peak 810 ppm1 8.127 ppm2 0.983 volume 0.7472 assi ((( attr rmsd < 8.169) and (attr rmsd > 8.069)) and bondedto(attr rmsd < 43.495 and attr rmsd > 42.495)) ( attr rmsd < 1.728 and attr rmsd > 1.628) 6 6 0 peak 811 ppm1 8.119 ppm2 1.678 volume 0.1511 assi ((( attr rmsd < 8.865) and (attr rmsd > 8.765)) and bondedto(attr rmsd < 67.055 and attr rmsd > 66.055)) ( attr rmsd < 5.086 and attr rmsd > 4.986) 6 6 0 peak 10812 ppm1 8.815 ppm2 5.036 volume 0.1529 assi ((( attr rmsd < 8.865) and (attr rmsd > 8.765)) and bondedto(attr rmsd < 19.535 and attr rmsd > 18.535)) ( attr rmsd < 5.086 and attr rmsd > 4.986) 6 6 0 peak 20812 ppm1 8.815 ppm2 5.036 volume 0.1529 assi ((( attr rmsd < 8.464) and (attr rmsd > 8.364)) and bondedto(attr rmsd < 43.349 and attr rmsd > 42.349)) ( attr rmsd < 4.287 and attr rmsd > 4.187) 6 6 0 peak 813 ppm1 8.414 ppm2 4.237 volume 1.0171 assi ((( attr rmsd < 8.463) and (attr rmsd > 8.363)) and bondedto(attr rmsd < 43.226 and attr rmsd > 42.226)) ( attr rmsd < 2.191 and attr rmsd > 2.091) 6 6 0 peak 814 ppm1 8.413 ppm2 2.141 volume 0.2521 assi ((( attr rmsd < 8.464) and (attr rmsd > 8.364)) and bondedto(attr rmsd < 43.294 and attr rmsd > 42.294)) ( attr rmsd < 1.880 and attr rmsd > 1.780) 6 6 0 peak 815 ppm1 8.414 ppm2 1.830 volume 0.8735 assi ((( attr rmsd < 8.285) and (attr rmsd > 8.185)) and bondedto(attr rmsd < 43.311 and attr rmsd > 42.311)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 816 ppm1 8.235 ppm2 4.775 volume 6.9962 assi ((( attr rmsd < 8.200) and (attr rmsd > 8.100)) and bondedto(attr rmsd < 43.355 and attr rmsd > 42.355)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 817 ppm1 8.150 ppm2 4.773 volume 5.6920 assi ((( attr rmsd < 9.440) and (attr rmsd > 9.340)) and bondedto(attr rmsd < 43.167 and attr rmsd > 42.167)) ( attr rmsd < 1.830 and attr rmsd > 1.730) 6 6 0 peak 818 ppm1 9.390 ppm2 1.780 volume 0.5199 assi ((( attr rmsd < 9.433) and (attr rmsd > 9.333)) and bondedto(attr rmsd < 43.155 and attr rmsd > 42.155)) ( attr rmsd < 4.644 and attr rmsd > 4.544) 6 6 0 peak 819 ppm1 9.383 ppm2 4.594 volume 0.3269 assi ((( attr rmsd < 9.438) and (attr rmsd > 9.338)) and bondedto(attr rmsd < 43.167 and attr rmsd > 42.167)) ( attr rmsd < 4.468 and attr rmsd > 4.368) 6 6 0 peak 820 ppm1 9.388 ppm2 4.418 volume 1.4279 assi ((( attr rmsd < 9.440) and (attr rmsd > 9.340)) and bondedto(attr rmsd < 43.193 and attr rmsd > 42.193)) ( attr rmsd < 2.963 and attr rmsd > 2.863) 6 6 0 peak 821 ppm1 9.390 ppm2 2.913 volume 0.1701 assi ((( attr rmsd < 9.436) and (attr rmsd > 9.336)) and bondedto(attr rmsd < 43.155 and attr rmsd > 42.155)) ( attr rmsd < 1.577 and attr rmsd > 1.477) 6 6 0 peak 822 ppm1 9.386 ppm2 1.527 volume 0.2783 assi ((( attr rmsd < 9.436) and (attr rmsd > 9.336)) and bondedto(attr rmsd < 43.167 and attr rmsd > 42.167)) ( attr rmsd < 1.345 and attr rmsd > 1.245) 6 6 0 peak 823 ppm1 9.386 ppm2 1.295 volume 0.6371 assi ((( attr rmsd < 9.440) and (attr rmsd > 9.340)) and bondedto(attr rmsd < 43.161 and attr rmsd > 42.161)) ( attr rmsd < 0.923 and attr rmsd > 0.823) 6 6 0 peak 824 ppm1 9.390 ppm2 0.873 volume 0.2575 assi ((( attr rmsd < 9.437) and (attr rmsd > 9.337)) and bondedto(attr rmsd < 43.097 and attr rmsd > 42.097)) ( attr rmsd < 0.778 and attr rmsd > 0.678) 6 6 0 peak 825 ppm1 9.387 ppm2 0.728 volume 0.1790 assi ((( attr rmsd < 8.990) and (attr rmsd > 8.890)) and bondedto(attr rmsd < 43.165 and attr rmsd > 42.165)) ( attr rmsd < 4.235 and attr rmsd > 4.135) 6 6 0 peak 826 ppm1 8.940 ppm2 4.185 volume 0.2169 assi ((( attr rmsd < 8.989) and (attr rmsd > 8.889)) and bondedto(attr rmsd < 43.185 and attr rmsd > 42.185)) ( attr rmsd < 4.088 and attr rmsd > 3.988) 6 6 0 peak 827 ppm1 8.939 ppm2 4.038 volume 0.2121 assi ((( attr rmsd < 8.989) and (attr rmsd > 8.889)) and bondedto(attr rmsd < 43.186 and attr rmsd > 42.186)) ( attr rmsd < 3.892 and attr rmsd > 3.792) 6 6 0 peak 828 ppm1 8.939 ppm2 3.842 volume 0.3847 assi ((( attr rmsd < 8.989) and (attr rmsd > 8.889)) and bondedto(attr rmsd < 43.151 and attr rmsd > 42.151)) ( attr rmsd < 2.031 and attr rmsd > 1.931) 6 6 0 peak 829 ppm1 8.939 ppm2 1.981 volume 0.4163 assi ((( attr rmsd < 8.992) and (attr rmsd > 8.892)) and bondedto(attr rmsd < 43.183 and attr rmsd > 42.183)) ( attr rmsd < 1.522 and attr rmsd > 1.422) 6 6 0 peak 830 ppm1 8.942 ppm2 1.472 volume 1.2612 assi ((( attr rmsd < 8.984) and (attr rmsd > 8.884)) and bondedto(attr rmsd < 43.043 and attr rmsd > 42.043)) ( attr rmsd < 2.264 and attr rmsd > 2.164) 6 6 0 peak 831 ppm1 8.934 ppm2 2.214 volume 0.3640 assi ((( attr rmsd < 8.331) and (attr rmsd > 8.231)) and bondedto(attr rmsd < 43.048 and attr rmsd > 42.048)) ( attr rmsd < 4.515 and attr rmsd > 4.415) 6 6 0 peak 832 ppm1 8.281 ppm2 4.465 volume 0.2630 assi ((( attr rmsd < 8.092) and (attr rmsd > 7.992)) and bondedto(attr rmsd < 43.167 and attr rmsd > 42.167)) ( attr rmsd < 1.742 and attr rmsd > 1.642) 6 6 0 peak 833 ppm1 8.042 ppm2 1.692 volume 0.2528 assi ((( attr rmsd < 8.094) and (attr rmsd > 7.994)) and bondedto(attr rmsd < 43.156 and attr rmsd > 42.156)) ( attr rmsd < 0.759 and attr rmsd > 0.659) 6 6 0 peak 834 ppm1 8.044 ppm2 0.709 volume 0.2606 assi ((( attr rmsd < 8.089) and (attr rmsd > 7.989)) and bondedto(attr rmsd < 43.190 and attr rmsd > 42.190)) ( attr rmsd < 3.936 and attr rmsd > 3.836) 6 6 0 peak 835 ppm1 8.039 ppm2 3.886 volume 0.3048 assi ((( attr rmsd < 8.086) and (attr rmsd > 7.986)) and bondedto(attr rmsd < 43.185 and attr rmsd > 42.185)) ( attr rmsd < 1.343 and attr rmsd > 1.243) 6 6 0 peak 836 ppm1 8.036 ppm2 1.293 volume 1.4134 assi ((( attr rmsd < 8.090) and (attr rmsd > 7.990)) and bondedto(attr rmsd < 43.202 and attr rmsd > 42.202)) ( attr rmsd < 0.927 and attr rmsd > 0.827) 6 6 0 peak 837 ppm1 8.040 ppm2 0.877 volume 0.2295 assi ((( attr rmsd < 7.719) and (attr rmsd > 7.619)) and bondedto(attr rmsd < 43.137 and attr rmsd > 42.137)) ( attr rmsd < 4.416 and attr rmsd > 4.316) 6 6 0 peak 838 ppm1 7.669 ppm2 4.366 volume 0.2670 assi ((( attr rmsd < 7.709) and (attr rmsd > 7.609)) and bondedto(attr rmsd < 43.134 and attr rmsd > 42.134)) ( attr rmsd < 4.679 and attr rmsd > 4.579) 6 6 0 peak 839 ppm1 7.659 ppm2 4.629 volume 0.3243 assi ((( attr rmsd < 7.711) and (attr rmsd > 7.611)) and bondedto(attr rmsd < 43.154 and attr rmsd > 42.154)) ( attr rmsd < 4.165 and attr rmsd > 4.065) 6 6 0 peak 840 ppm1 7.661 ppm2 4.115 volume 0.2505 assi ((( attr rmsd < 7.715) and (attr rmsd > 7.615)) and bondedto(attr rmsd < 43.135 and attr rmsd > 42.135)) ( attr rmsd < 2.361 and attr rmsd > 2.261) 6 6 0 peak 841 ppm1 7.665 ppm2 2.311 volume 0.2988 assi ((( attr rmsd < 7.713) and (attr rmsd > 7.613)) and bondedto(attr rmsd < 43.141 and attr rmsd > 42.141)) ( attr rmsd < 1.806 and attr rmsd > 1.706) 6 6 0 peak 842 ppm1 7.663 ppm2 1.756 volume 1.0251 assi ((( attr rmsd < 7.714) and (attr rmsd > 7.614)) and bondedto(attr rmsd < 43.148 and attr rmsd > 42.148)) ( attr rmsd < 1.695 and attr rmsd > 1.595) 6 6 0 peak 843 ppm1 7.664 ppm2 1.645 volume 0.3577 assi ((( attr rmsd < 7.713) and (attr rmsd > 7.613)) and bondedto(attr rmsd < 43.129 and attr rmsd > 42.129)) ( attr rmsd < 0.828 and attr rmsd > 0.728) 6 6 0 peak 844 ppm1 7.663 ppm2 0.778 volume 0.5637 assi ((( attr rmsd < 7.849) and (attr rmsd > 7.749)) and bondedto(attr rmsd < 66.776 and attr rmsd > 65.776)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 10845 ppm1 7.799 ppm2 4.775 volume 0.2772 assi ((( attr rmsd < 7.849) and (attr rmsd > 7.749)) and bondedto(attr rmsd < 19.256 and attr rmsd > 18.256)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 20845 ppm1 7.799 ppm2 4.775 volume 0.2772 assi ((( attr rmsd < 9.114) and (attr rmsd > 9.014)) and bondedto(attr rmsd < 42.926 and attr rmsd > 41.926)) ( attr rmsd < 5.474 and attr rmsd > 5.374) 6 6 0 peak 846 ppm1 9.064 ppm2 5.424 volume 0.7896 assi ((( attr rmsd < 9.113) and (attr rmsd > 9.013)) and bondedto(attr rmsd < 42.935 and attr rmsd > 41.935)) ( attr rmsd < 4.548 and attr rmsd > 4.448) 6 6 0 peak 847 ppm1 9.063 ppm2 4.498 volume 0.2708 assi ((( attr rmsd < 9.112) and (attr rmsd > 9.012)) and bondedto(attr rmsd < 42.906 and attr rmsd > 41.906)) ( attr rmsd < 2.074 and attr rmsd > 1.974) 6 6 0 peak 848 ppm1 9.062 ppm2 2.024 volume 0.3098 assi ((( attr rmsd < 9.112) and (attr rmsd > 9.012)) and bondedto(attr rmsd < 42.925 and attr rmsd > 41.925)) ( attr rmsd < 0.982 and attr rmsd > 0.882) 6 6 0 peak 849 ppm1 9.062 ppm2 0.932 volume 0.4839 assi ((( attr rmsd < 9.114) and (attr rmsd > 9.014)) and bondedto(attr rmsd < 42.902 and attr rmsd > 41.902)) ( attr rmsd < 0.785 and attr rmsd > 0.685) 6 6 0 peak 850 ppm1 9.064 ppm2 0.735 volume 0.4116 assi ((( attr rmsd < 9.109) and (attr rmsd > 9.009)) and bondedto(attr rmsd < 42.892 and attr rmsd > 41.892)) ( attr rmsd < 2.747 and attr rmsd > 2.647) 6 6 0 peak 851 ppm1 9.059 ppm2 2.697 volume 0.1556 assi ((( attr rmsd < 8.951) and (attr rmsd > 8.851)) and bondedto(attr rmsd < 43.011 and attr rmsd > 42.011)) ( attr rmsd < 3.007 and attr rmsd > 2.907) 6 6 0 peak 852 ppm1 8.901 ppm2 2.957 volume 0.1496 assi ((( attr rmsd < 8.437) and (attr rmsd > 8.337)) and bondedto(attr rmsd < 42.900 and attr rmsd > 41.900)) ( attr rmsd < 4.684 and attr rmsd > 4.584) 6 6 0 peak 853 ppm1 8.387 ppm2 4.634 volume 1.1041 assi ((( attr rmsd < 8.442) and (attr rmsd > 8.342)) and bondedto(attr rmsd < 42.899 and attr rmsd > 41.899)) ( attr rmsd < 4.429 and attr rmsd > 4.329) 6 6 0 peak 854 ppm1 8.392 ppm2 4.379 volume 0.3293 assi ((( attr rmsd < 8.442) and (attr rmsd > 8.342)) and bondedto(attr rmsd < 42.902 and attr rmsd > 41.902)) ( attr rmsd < 2.040 and attr rmsd > 1.940) 6 6 0 peak 855 ppm1 8.392 ppm2 1.990 volume 0.5701 assi ((( attr rmsd < 8.437) and (attr rmsd > 8.337)) and bondedto(attr rmsd < 42.893 and attr rmsd > 41.893)) ( attr rmsd < 1.664 and attr rmsd > 1.564) 6 6 0 peak 856 ppm1 8.387 ppm2 1.614 volume 0.2217 assi ((( attr rmsd < 8.441) and (attr rmsd > 8.341)) and bondedto(attr rmsd < 42.850 and attr rmsd > 41.850)) ( attr rmsd < 0.814 and attr rmsd > 0.714) 6 6 0 peak 857 ppm1 8.391 ppm2 0.764 volume 0.2181 assi ((( attr rmsd < 8.436) and (attr rmsd > 8.336)) and bondedto(attr rmsd < 42.926 and attr rmsd > 41.926)) ( attr rmsd < 2.282 and attr rmsd > 2.182) 6 6 0 peak 858 ppm1 8.386 ppm2 2.232 volume 0.1898 assi ((( attr rmsd < 8.334) and (attr rmsd > 8.234)) and bondedto(attr rmsd < 42.957 and attr rmsd > 41.957)) ( attr rmsd < 4.693 and attr rmsd > 4.593) 6 6 0 peak 859 ppm1 8.284 ppm2 4.643 volume 0.4012 assi ((( attr rmsd < 8.333) and (attr rmsd > 8.233)) and bondedto(attr rmsd < 42.964 and attr rmsd > 41.964)) ( attr rmsd < 3.707 and attr rmsd > 3.607) 6 6 0 peak 860 ppm1 8.283 ppm2 3.657 volume 0.2822 assi ((( attr rmsd < 8.333) and (attr rmsd > 8.233)) and bondedto(attr rmsd < 43.000 and attr rmsd > 42.000)) ( attr rmsd < 2.961 and attr rmsd > 2.861) 6 6 0 peak 861 ppm1 8.283 ppm2 2.911 volume 0.7021 assi ((( attr rmsd < 8.333) and (attr rmsd > 8.233)) and bondedto(attr rmsd < 42.978 and attr rmsd > 41.978)) ( attr rmsd < 2.499 and attr rmsd > 2.399) 6 6 0 peak 862 ppm1 8.283 ppm2 2.449 volume 0.5457 assi ((( attr rmsd < 8.330) and (attr rmsd > 8.230)) and bondedto(attr rmsd < 42.985 and attr rmsd > 41.985)) ( attr rmsd < 2.329 and attr rmsd > 2.229) 6 6 0 peak 863 ppm1 8.280 ppm2 2.279 volume 0.5051 assi ((( attr rmsd < 8.333) and (attr rmsd > 8.233)) and bondedto(attr rmsd < 42.959 and attr rmsd > 41.959)) ( attr rmsd < 0.557 and attr rmsd > 0.457) 6 6 0 peak 864 ppm1 8.283 ppm2 0.507 volume 0.1712 assi ((( attr rmsd < 8.324) and (attr rmsd > 8.224)) and bondedto(attr rmsd < 42.914 and attr rmsd > 41.914)) ( attr rmsd < 0.903 and attr rmsd > 0.803) 6 6 0 peak 865 ppm1 8.274 ppm2 0.853 volume 0.2547 assi ((( attr rmsd < 8.038) and (attr rmsd > 7.938)) and bondedto(attr rmsd < 42.984 and attr rmsd > 41.984)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 866 ppm1 7.988 ppm2 4.774 volume 0.2966 assi ((( attr rmsd < 8.731) and (attr rmsd > 8.631)) and bondedto(attr rmsd < 66.561 and attr rmsd > 65.561)) ( attr rmsd < 4.820 and attr rmsd > 4.720) 6 6 0 peak 10867 ppm1 8.681 ppm2 4.770 volume 0.2776 assi ((( attr rmsd < 8.731) and (attr rmsd > 8.631)) and bondedto(attr rmsd < 19.041 and attr rmsd > 18.041)) ( attr rmsd < 4.820 and attr rmsd > 4.720) 6 6 0 peak 20867 ppm1 8.681 ppm2 4.770 volume 0.2776 assi ((( attr rmsd < 8.239) and (attr rmsd > 8.139)) and bondedto(attr rmsd < 66.490 and attr rmsd > 65.490)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 10868 ppm1 8.189 ppm2 1.750 volume 0.1582 assi ((( attr rmsd < 8.239) and (attr rmsd > 8.139)) and bondedto(attr rmsd < 18.970 and attr rmsd > 17.970)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 20868 ppm1 8.189 ppm2 1.750 volume 0.1582 assi ((( attr rmsd < 8.128) and (attr rmsd > 8.028)) and bondedto(attr rmsd < 66.494 and attr rmsd > 65.494)) ( attr rmsd < 0.321 and attr rmsd > 0.221) 6 6 0 peak 10869 ppm1 8.078 ppm2 0.271 volume 0.1518 assi ((( attr rmsd < 8.128) and (attr rmsd > 8.028)) and bondedto(attr rmsd < 18.974 and attr rmsd > 17.974)) ( attr rmsd < 0.321 and attr rmsd > 0.221) 6 6 0 peak 20869 ppm1 8.078 ppm2 0.271 volume 0.1518 assi ((( attr rmsd < 8.955) and (attr rmsd > 8.855)) and bondedto(attr rmsd < 42.810 and attr rmsd > 41.810)) ( attr rmsd < 4.544 and attr rmsd > 4.444) 6 6 0 peak 870 ppm1 8.905 ppm2 4.494 volume 1.2055 assi ((( attr rmsd < 8.955) and (attr rmsd > 8.855)) and bondedto(attr rmsd < 42.798 and attr rmsd > 41.798)) ( attr rmsd < 3.369 and attr rmsd > 3.269) 6 6 0 peak 871 ppm1 8.905 ppm2 3.319 volume 0.1960 assi ((( attr rmsd < 8.939) and (attr rmsd > 8.839)) and bondedto(attr rmsd < 42.705 and attr rmsd > 41.705)) ( attr rmsd < 5.055 and attr rmsd > 4.955) 6 6 0 peak 872 ppm1 8.889 ppm2 5.005 volume 0.1722 assi ((( attr rmsd < 8.952) and (attr rmsd > 8.852)) and bondedto(attr rmsd < 42.804 and attr rmsd > 41.804)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 873 ppm1 8.902 ppm2 4.766 volume 0.7957 assi ((( attr rmsd < 8.954) and (attr rmsd > 8.854)) and bondedto(attr rmsd < 42.793 and attr rmsd > 41.793)) ( attr rmsd < 0.979 and attr rmsd > 0.879) 6 6 0 peak 874 ppm1 8.904 ppm2 0.929 volume 0.5080 assi ((( attr rmsd < 8.587) and (attr rmsd > 8.487)) and bondedto(attr rmsd < 42.693 and attr rmsd > 41.693)) ( attr rmsd < 4.447 and attr rmsd > 4.347) 6 6 0 peak 875 ppm1 8.537 ppm2 4.397 volume 0.1587 assi ((( attr rmsd < 8.313) and (attr rmsd > 8.213)) and bondedto(attr rmsd < 42.841 and attr rmsd > 41.841)) ( attr rmsd < 3.601 and attr rmsd > 3.501) 6 6 0 peak 876 ppm1 8.263 ppm2 3.551 volume 0.4885 assi ((( attr rmsd < 8.304) and (attr rmsd > 8.204)) and bondedto(attr rmsd < 42.767 and attr rmsd > 41.767)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 877 ppm1 8.254 ppm2 3.838 volume 0.2101 assi ((( attr rmsd < 8.301) and (attr rmsd > 8.201)) and bondedto(attr rmsd < 42.761 and attr rmsd > 41.761)) ( attr rmsd < 2.048 and attr rmsd > 1.948) 6 6 0 peak 878 ppm1 8.251 ppm2 1.998 volume 0.5359 assi ((( attr rmsd < 8.306) and (attr rmsd > 8.206)) and bondedto(attr rmsd < 42.788 and attr rmsd > 41.788)) ( attr rmsd < 1.828 and attr rmsd > 1.728) 6 6 0 peak 879 ppm1 8.256 ppm2 1.778 volume 1.1023 assi ((( attr rmsd < 8.305) and (attr rmsd > 8.205)) and bondedto(attr rmsd < 42.788 and attr rmsd > 41.788)) ( attr rmsd < 0.791 and attr rmsd > 0.691) 6 6 0 peak 880 ppm1 8.255 ppm2 0.741 volume 1.1465 assi ((( attr rmsd < 8.303) and (attr rmsd > 8.203)) and bondedto(attr rmsd < 42.702 and attr rmsd > 41.702)) ( attr rmsd < 0.265 and attr rmsd > 0.165) 6 6 0 peak 881 ppm1 8.253 ppm2 0.215 volume 0.2192 assi ((( attr rmsd < 8.146) and (attr rmsd > 8.046)) and bondedto(attr rmsd < 42.750 and attr rmsd > 41.750)) ( attr rmsd < 5.468 and attr rmsd > 5.368) 6 6 0 peak 882 ppm1 8.096 ppm2 5.418 volume 0.2118 assi ((( attr rmsd < 8.146) and (attr rmsd > 8.046)) and bondedto(attr rmsd < 42.794 and attr rmsd > 41.794)) ( attr rmsd < 4.428 and attr rmsd > 4.328) 6 6 0 peak 883 ppm1 8.096 ppm2 4.378 volume 1.2132 assi ((( attr rmsd < 8.147) and (attr rmsd > 8.047)) and bondedto(attr rmsd < 42.812 and attr rmsd > 41.812)) ( attr rmsd < 2.972 and attr rmsd > 2.872) 6 6 0 peak 884 ppm1 8.097 ppm2 2.922 volume 0.2336 assi ((( attr rmsd < 8.148) and (attr rmsd > 8.048)) and bondedto(attr rmsd < 42.745 and attr rmsd > 41.745)) ( attr rmsd < 2.752 and attr rmsd > 2.652) 6 6 0 peak 885 ppm1 8.098 ppm2 2.702 volume 0.1742 assi ((( attr rmsd < 8.144) and (attr rmsd > 8.044)) and bondedto(attr rmsd < 42.750 and attr rmsd > 41.750)) ( attr rmsd < 1.880 and attr rmsd > 1.780) 6 6 0 peak 886 ppm1 8.094 ppm2 1.830 volume 0.2197 assi ((( attr rmsd < 8.136) and (attr rmsd > 8.036)) and bondedto(attr rmsd < 42.695 and attr rmsd > 41.695)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 887 ppm1 8.086 ppm2 4.773 volume 3.8380 assi ((( attr rmsd < 8.125) and (attr rmsd > 8.025)) and bondedto(attr rmsd < 42.736 and attr rmsd > 41.736)) ( attr rmsd < 4.276 and attr rmsd > 4.176) 6 6 0 peak 888 ppm1 8.075 ppm2 4.226 volume 0.3270 assi ((( attr rmsd < 8.131) and (attr rmsd > 8.031)) and bondedto(attr rmsd < 42.738 and attr rmsd > 41.738)) ( attr rmsd < 4.117 and attr rmsd > 4.017) 6 6 0 peak 889 ppm1 8.081 ppm2 4.067 volume 1.4516 assi ((( attr rmsd < 8.129) and (attr rmsd > 8.029)) and bondedto(attr rmsd < 42.780 and attr rmsd > 41.780)) ( attr rmsd < 3.591 and attr rmsd > 3.491) 6 6 0 peak 890 ppm1 8.079 ppm2 3.541 volume 0.1796 assi ((( attr rmsd < 8.125) and (attr rmsd > 8.025)) and bondedto(attr rmsd < 42.766 and attr rmsd > 41.766)) ( attr rmsd < 2.510 and attr rmsd > 2.410) 6 6 0 peak 891 ppm1 8.075 ppm2 2.460 volume 0.4179 assi ((( attr rmsd < 8.125) and (attr rmsd > 8.025)) and bondedto(attr rmsd < 42.769 and attr rmsd > 41.769)) ( attr rmsd < 2.203 and attr rmsd > 2.103) 6 6 0 peak 892 ppm1 8.075 ppm2 2.153 volume 0.8247 assi ((( attr rmsd < 8.129) and (attr rmsd > 8.029)) and bondedto(attr rmsd < 42.770 and attr rmsd > 41.770)) ( attr rmsd < 2.047 and attr rmsd > 1.947) 6 6 0 peak 893 ppm1 8.079 ppm2 1.997 volume 0.6633 assi ((( attr rmsd < 8.135) and (attr rmsd > 8.035)) and bondedto(attr rmsd < 42.734 and attr rmsd > 41.734)) ( attr rmsd < 1.564 and attr rmsd > 1.464) 6 6 0 peak 894 ppm1 8.085 ppm2 1.514 volume 0.5336 assi ((( attr rmsd < 7.939) and (attr rmsd > 7.839)) and bondedto(attr rmsd < 42.698 and attr rmsd > 41.698)) ( attr rmsd < 4.201 and attr rmsd > 4.101) 6 6 0 peak 895 ppm1 7.889 ppm2 4.151 volume 1.0761 assi ((( attr rmsd < 7.941) and (attr rmsd > 7.841)) and bondedto(attr rmsd < 42.706 and attr rmsd > 41.706)) ( attr rmsd < 3.633 and attr rmsd > 3.533) 6 6 0 peak 896 ppm1 7.891 ppm2 3.583 volume 0.1741 assi ((( attr rmsd < 7.938) and (attr rmsd > 7.838)) and bondedto(attr rmsd < 42.707 and attr rmsd > 41.707)) ( attr rmsd < 1.839 and attr rmsd > 1.739) 6 6 0 peak 897 ppm1 7.888 ppm2 1.789 volume 0.7534 assi ((( attr rmsd < 7.935) and (attr rmsd > 7.835)) and bondedto(attr rmsd < 42.705 and attr rmsd > 41.705)) ( attr rmsd < 1.582 and attr rmsd > 1.482) 6 6 0 peak 898 ppm1 7.885 ppm2 1.532 volume 1.8577 assi ((( attr rmsd < 7.907) and (attr rmsd > 7.807)) and bondedto(attr rmsd < 42.788 and attr rmsd > 41.788)) ( attr rmsd < 4.324 and attr rmsd > 4.224) 6 6 0 peak 899 ppm1 7.857 ppm2 4.274 volume 1.7884 assi ((( attr rmsd < 7.908) and (attr rmsd > 7.808)) and bondedto(attr rmsd < 42.796 and attr rmsd > 41.796)) ( attr rmsd < 2.586 and attr rmsd > 2.486) 6 6 0 peak 900 ppm1 7.858 ppm2 2.536 volume 0.5106 assi ((( attr rmsd < 8.132) and (attr rmsd > 8.032)) and bondedto(attr rmsd < 66.411 and attr rmsd > 65.411)) ( attr rmsd < 4.918 and attr rmsd > 4.818) 6 6 0 peak 10901 ppm1 8.082 ppm2 4.868 volume 0.1610 assi ((( attr rmsd < 8.132) and (attr rmsd > 8.032)) and bondedto(attr rmsd < 18.891 and attr rmsd > 17.891)) ( attr rmsd < 4.918 and attr rmsd > 4.818) 6 6 0 peak 20901 ppm1 8.082 ppm2 4.868 volume 0.1610 assi ((( attr rmsd < 8.857) and (attr rmsd > 8.757)) and bondedto(attr rmsd < 42.485 and attr rmsd > 41.485)) ( attr rmsd < 5.071 and attr rmsd > 4.971) 6 6 0 peak 902 ppm1 8.807 ppm2 5.021 volume 1.2800 assi ((( attr rmsd < 8.856) and (attr rmsd > 8.756)) and bondedto(attr rmsd < 42.536 and attr rmsd > 41.536)) ( attr rmsd < 4.384 and attr rmsd > 4.284) 6 6 0 peak 903 ppm1 8.806 ppm2 4.334 volume 0.1869 assi ((( attr rmsd < 8.303) and (attr rmsd > 8.203)) and bondedto(attr rmsd < 42.643 and attr rmsd > 41.643)) ( attr rmsd < 4.094 and attr rmsd > 3.994) 6 6 0 peak 904 ppm1 8.253 ppm2 4.044 volume 0.2201 assi ((( attr rmsd < 7.758) and (attr rmsd > 7.658)) and bondedto(attr rmsd < 42.536 and attr rmsd > 41.536)) ( attr rmsd < 1.498 and attr rmsd > 1.398) 6 6 0 peak 905 ppm1 7.708 ppm2 1.448 volume 0.1915 assi ((( attr rmsd < 6.891) and (attr rmsd > 6.791)) and bondedto(attr rmsd < 42.519 and attr rmsd > 41.519)) ( attr rmsd < 0.733 and attr rmsd > 0.633) 6 6 0 peak 906 ppm1 6.841 ppm2 0.683 volume 0.1716 assi ((( attr rmsd < 9.442) and (attr rmsd > 9.342)) and bondedto(attr rmsd < 66.121 and attr rmsd > 65.121)) ( attr rmsd < 4.474 and attr rmsd > 4.374) 6 6 0 peak 10907 ppm1 9.392 ppm2 4.424 volume 0.2003 assi ((( attr rmsd < 9.442) and (attr rmsd > 9.342)) and bondedto(attr rmsd < 18.601 and attr rmsd > 17.601)) ( attr rmsd < 4.474 and attr rmsd > 4.374) 6 6 0 peak 20907 ppm1 9.392 ppm2 4.424 volume 0.2003 assi ((( attr rmsd < 8.092) and (attr rmsd > 7.992)) and bondedto(attr rmsd < 66.145 and attr rmsd > 65.145)) ( attr rmsd < 1.351 and attr rmsd > 1.251) 6 6 0 peak 10908 ppm1 8.042 ppm2 1.301 volume 0.1851 assi ((( attr rmsd < 8.092) and (attr rmsd > 7.992)) and bondedto(attr rmsd < 18.625 and attr rmsd > 17.625)) ( attr rmsd < 1.351 and attr rmsd > 1.251) 6 6 0 peak 20908 ppm1 8.042 ppm2 1.301 volume 0.1851 assi ((( attr rmsd < 9.043) and (attr rmsd > 8.943)) and bondedto(attr rmsd < 42.345 and attr rmsd > 41.345)) ( attr rmsd < 5.027 and attr rmsd > 4.927) 6 6 0 peak 909 ppm1 8.993 ppm2 4.977 volume 0.2798 assi ((( attr rmsd < 9.044) and (attr rmsd > 8.944)) and bondedto(attr rmsd < 42.333 and attr rmsd > 41.333)) ( attr rmsd < 4.696 and attr rmsd > 4.596) 6 6 0 peak 910 ppm1 8.994 ppm2 4.646 volume 1.3168 assi ((( attr rmsd < 9.042) and (attr rmsd > 8.942)) and bondedto(attr rmsd < 42.321 and attr rmsd > 41.321)) ( attr rmsd < 2.945 and attr rmsd > 2.845) 6 6 0 peak 911 ppm1 8.992 ppm2 2.895 volume 0.1642 assi ((( attr rmsd < 9.045) and (attr rmsd > 8.945)) and bondedto(attr rmsd < 42.332 and attr rmsd > 41.332)) ( attr rmsd < 2.496 and attr rmsd > 2.396) 6 6 0 peak 912 ppm1 8.995 ppm2 2.446 volume 0.3021 assi ((( attr rmsd < 9.042) and (attr rmsd > 8.942)) and bondedto(attr rmsd < 42.323 and attr rmsd > 41.323)) ( attr rmsd < 1.778 and attr rmsd > 1.678) 6 6 0 peak 913 ppm1 8.992 ppm2 1.728 volume 0.5713 assi ((( attr rmsd < 8.876) and (attr rmsd > 8.776)) and bondedto(attr rmsd < 42.314 and attr rmsd > 41.314)) ( attr rmsd < 4.624 and attr rmsd > 4.524) 6 6 0 peak 914 ppm1 8.826 ppm2 4.574 volume 0.2955 assi ((( attr rmsd < 8.874) and (attr rmsd > 8.774)) and bondedto(attr rmsd < 42.345 and attr rmsd > 41.345)) ( attr rmsd < 5.678 and attr rmsd > 5.578) 6 6 0 peak 915 ppm1 8.824 ppm2 5.628 volume 1.0001 assi ((( attr rmsd < 8.861) and (attr rmsd > 8.761)) and bondedto(attr rmsd < 42.445 and attr rmsd > 41.445)) ( attr rmsd < 4.819 and attr rmsd > 4.719) 6 6 0 peak 916 ppm1 8.811 ppm2 4.769 volume 0.9146 assi ((( attr rmsd < 8.869) and (attr rmsd > 8.769)) and bondedto(attr rmsd < 42.371 and attr rmsd > 41.371)) ( attr rmsd < 1.913 and attr rmsd > 1.813) 6 6 0 peak 917 ppm1 8.819 ppm2 1.863 volume 0.4659 assi ((( attr rmsd < 8.872) and (attr rmsd > 8.772)) and bondedto(attr rmsd < 42.349 and attr rmsd > 41.349)) ( attr rmsd < 1.756 and attr rmsd > 1.656) 6 6 0 peak 918 ppm1 8.822 ppm2 1.706 volume 0.4835 assi ((( attr rmsd < 8.872) and (attr rmsd > 8.772)) and bondedto(attr rmsd < 42.323 and attr rmsd > 41.323)) ( attr rmsd < 1.548 and attr rmsd > 1.448) 6 6 0 peak 919 ppm1 8.822 ppm2 1.498 volume 0.3901 assi ((( attr rmsd < 8.856) and (attr rmsd > 8.756)) and bondedto(attr rmsd < 42.469 and attr rmsd > 41.469)) ( attr rmsd < 3.933 and attr rmsd > 3.833) 6 6 0 peak 920 ppm1 8.806 ppm2 3.883 volume 0.3697 assi ((( attr rmsd < 8.515) and (attr rmsd > 8.415)) and bondedto(attr rmsd < 42.301 and attr rmsd > 41.301)) ( attr rmsd < 4.514 and attr rmsd > 4.414) 6 6 0 peak 921 ppm1 8.465 ppm2 4.464 volume 0.2152 assi ((( attr rmsd < 8.516) and (attr rmsd > 8.416)) and bondedto(attr rmsd < 42.327 and attr rmsd > 41.327)) ( attr rmsd < 0.634 and attr rmsd > 0.534) 6 6 0 peak 922 ppm1 8.466 ppm2 0.584 volume 0.3656 assi ((( attr rmsd < 8.513) and (attr rmsd > 8.413)) and bondedto(attr rmsd < 42.319 and attr rmsd > 41.319)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 923 ppm1 8.463 ppm2 4.934 volume 0.8163 assi ((( attr rmsd < 8.515) and (attr rmsd > 8.415)) and bondedto(attr rmsd < 42.401 and attr rmsd > 41.401)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 924 ppm1 8.465 ppm2 4.773 volume 0.6037 assi ((( attr rmsd < 8.513) and (attr rmsd > 8.413)) and bondedto(attr rmsd < 42.336 and attr rmsd > 41.336)) ( attr rmsd < 1.169 and attr rmsd > 1.069) 6 6 0 peak 925 ppm1 8.463 ppm2 1.119 volume 0.2176 assi ((( attr rmsd < 6.888) and (attr rmsd > 6.788)) and bondedto(attr rmsd < 42.448 and attr rmsd > 41.448)) ( attr rmsd < 3.840 and attr rmsd > 3.740) 6 6 0 peak 926 ppm1 6.838 ppm2 3.790 volume 0.3193 assi ((( attr rmsd < 6.891) and (attr rmsd > 6.791)) and bondedto(attr rmsd < 42.411 and attr rmsd > 41.411)) ( attr rmsd < 3.633 and attr rmsd > 3.533) 6 6 0 peak 927 ppm1 6.841 ppm2 3.583 volume 0.1990 assi ((( attr rmsd < 6.888) and (attr rmsd > 6.788)) and bondedto(attr rmsd < 42.459 and attr rmsd > 41.459)) ( attr rmsd < 2.785 and attr rmsd > 2.685) 6 6 0 peak 928 ppm1 6.838 ppm2 2.735 volume 0.3371 assi ((( attr rmsd < 6.888) and (attr rmsd > 6.788)) and bondedto(attr rmsd < 42.460 and attr rmsd > 41.460)) ( attr rmsd < 1.810 and attr rmsd > 1.710) 6 6 0 peak 929 ppm1 6.838 ppm2 1.760 volume 0.4740 assi ((( attr rmsd < 6.891) and (attr rmsd > 6.791)) and bondedto(attr rmsd < 42.447 and attr rmsd > 41.447)) ( attr rmsd < 1.481 and attr rmsd > 1.381) 6 6 0 peak 930 ppm1 6.841 ppm2 1.431 volume 1.1506 assi ((( attr rmsd < 6.891) and (attr rmsd > 6.791)) and bondedto(attr rmsd < 42.453 and attr rmsd > 41.453)) ( attr rmsd < 0.850 and attr rmsd > 0.750) 6 6 0 peak 931 ppm1 6.841 ppm2 0.800 volume 0.2648 assi ((( attr rmsd < 6.890) and (attr rmsd > 6.790)) and bondedto(attr rmsd < 42.441 and attr rmsd > 41.441)) ( attr rmsd < 0.423 and attr rmsd > 0.323) 6 6 0 peak 932 ppm1 6.840 ppm2 0.373 volume 0.1847 assi ((( attr rmsd < 6.884) and (attr rmsd > 6.784)) and bondedto(attr rmsd < 42.401 and attr rmsd > 41.401)) ( attr rmsd < 2.931 and attr rmsd > 2.831) 6 6 0 peak 933 ppm1 6.834 ppm2 2.881 volume 0.1726 assi ((( attr rmsd < 9.183) and (attr rmsd > 9.083)) and bondedto(attr rmsd < 42.144 and attr rmsd > 41.144)) ( attr rmsd < 4.714 and attr rmsd > 4.614) 6 6 0 peak 934 ppm1 9.133 ppm2 4.664 volume 0.1634 assi ((( attr rmsd < 9.045) and (attr rmsd > 8.945)) and bondedto(attr rmsd < 42.187 and attr rmsd > 41.187)) ( attr rmsd < 1.535 and attr rmsd > 1.435) 6 6 0 peak 935 ppm1 8.995 ppm2 1.485 volume 0.1595 assi ((( attr rmsd < 9.041) and (attr rmsd > 8.941)) and bondedto(attr rmsd < 42.278 and attr rmsd > 41.278)) ( attr rmsd < 0.912 and attr rmsd > 0.812) 6 6 0 peak 936 ppm1 8.991 ppm2 0.862 volume 0.5160 assi ((( attr rmsd < 8.878) and (attr rmsd > 8.778)) and bondedto(attr rmsd < 42.261 and attr rmsd > 41.261)) ( attr rmsd < 0.896 and attr rmsd > 0.796) 6 6 0 peak 937 ppm1 8.828 ppm2 0.846 volume 0.3347 assi ((( attr rmsd < 8.510) and (attr rmsd > 8.410)) and bondedto(attr rmsd < 42.212 and attr rmsd > 41.212)) ( attr rmsd < 0.909 and attr rmsd > 0.809) 6 6 0 peak 938 ppm1 8.460 ppm2 0.859 volume 0.2482 assi ((( attr rmsd < 8.457) and (attr rmsd > 8.357)) and bondedto(attr rmsd < 42.099 and attr rmsd > 41.099)) ( attr rmsd < 1.259 and attr rmsd > 1.159) 6 6 0 peak 939 ppm1 8.407 ppm2 1.209 volume 0.3847 assi ((( attr rmsd < 7.849) and (attr rmsd > 7.749)) and bondedto(attr rmsd < 42.191 and attr rmsd > 41.191)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 940 ppm1 7.799 ppm2 4.774 volume 1.2221 assi ((( attr rmsd < 7.850) and (attr rmsd > 7.750)) and bondedto(attr rmsd < 42.189 and attr rmsd > 41.189)) ( attr rmsd < 4.121 and attr rmsd > 4.021) 6 6 0 peak 941 ppm1 7.800 ppm2 4.071 volume 0.3449 assi ((( attr rmsd < 7.851) and (attr rmsd > 7.751)) and bondedto(attr rmsd < 42.179 and attr rmsd > 41.179)) ( attr rmsd < 2.259 and attr rmsd > 2.159) 6 6 0 peak 942 ppm1 7.801 ppm2 2.209 volume 0.2006 assi ((( attr rmsd < 7.853) and (attr rmsd > 7.753)) and bondedto(attr rmsd < 42.206 and attr rmsd > 41.206)) ( attr rmsd < 1.903 and attr rmsd > 1.803) 6 6 0 peak 943 ppm1 7.803 ppm2 1.853 volume 0.5501 assi ((( attr rmsd < 7.850) and (attr rmsd > 7.750)) and bondedto(attr rmsd < 42.141 and attr rmsd > 41.141)) ( attr rmsd < 1.562 and attr rmsd > 1.462) 6 6 0 peak 944 ppm1 7.800 ppm2 1.512 volume 0.2729 assi ((( attr rmsd < 7.543) and (attr rmsd > 7.443)) and bondedto(attr rmsd < 42.277 and attr rmsd > 41.277)) ( attr rmsd < 4.229 and attr rmsd > 4.129) 6 6 0 peak 945 ppm1 7.493 ppm2 4.179 volume 0.2960 assi ((( attr rmsd < 7.534) and (attr rmsd > 7.434)) and bondedto(attr rmsd < 42.276 and attr rmsd > 41.276)) ( attr rmsd < 4.093 and attr rmsd > 3.993) 6 6 0 peak 946 ppm1 7.484 ppm2 4.043 volume 0.5592 assi ((( attr rmsd < 7.535) and (attr rmsd > 7.435)) and bondedto(attr rmsd < 42.280 and attr rmsd > 41.280)) ( attr rmsd < 3.963 and attr rmsd > 3.863) 6 6 0 peak 947 ppm1 7.485 ppm2 3.913 volume 0.1791 assi ((( attr rmsd < 7.538) and (attr rmsd > 7.438)) and bondedto(attr rmsd < 42.273 and attr rmsd > 41.273)) ( attr rmsd < 2.024 and attr rmsd > 1.924) 6 6 0 peak 948 ppm1 7.488 ppm2 1.974 volume 1.2466 assi ((( attr rmsd < 7.537) and (attr rmsd > 7.437)) and bondedto(attr rmsd < 42.255 and attr rmsd > 41.255)) ( attr rmsd < 1.806 and attr rmsd > 1.706) 6 6 0 peak 949 ppm1 7.487 ppm2 1.756 volume 0.4408 assi ((( attr rmsd < 7.540) and (attr rmsd > 7.440)) and bondedto(attr rmsd < 42.211 and attr rmsd > 41.211)) ( attr rmsd < 1.540 and attr rmsd > 1.440) 6 6 0 peak 950 ppm1 7.490 ppm2 1.490 volume 0.1713 assi ((( attr rmsd < 8.959) and (attr rmsd > 8.859)) and bondedto(attr rmsd < 65.743 and attr rmsd > 64.743)) ( attr rmsd < 4.541 and attr rmsd > 4.441) 6 6 0 peak 10951 ppm1 8.909 ppm2 4.491 volume 0.1551 assi ((( attr rmsd < 8.959) and (attr rmsd > 8.859)) and bondedto(attr rmsd < 18.223 and attr rmsd > 17.223)) ( attr rmsd < 4.541 and attr rmsd > 4.441) 6 6 0 peak 20951 ppm1 8.909 ppm2 4.491 volume 0.1551 assi ((( attr rmsd < 8.134) and (attr rmsd > 8.034)) and bondedto(attr rmsd < 65.714 and attr rmsd > 64.714)) ( attr rmsd < 4.117 and attr rmsd > 4.017) 6 6 0 peak 10952 ppm1 8.084 ppm2 4.067 volume 0.1494 assi ((( attr rmsd < 8.134) and (attr rmsd > 8.034)) and bondedto(attr rmsd < 18.194 and attr rmsd > 17.194)) ( attr rmsd < 4.117 and attr rmsd > 4.017) 6 6 0 peak 20952 ppm1 8.084 ppm2 4.067 volume 0.1494 assi ((( attr rmsd < 7.912) and (attr rmsd > 7.812)) and bondedto(attr rmsd < 65.723 and attr rmsd > 64.723)) ( attr rmsd < 4.330 and attr rmsd > 4.230) 6 6 0 peak 10953 ppm1 7.862 ppm2 4.280 volume 0.1847 assi ((( attr rmsd < 7.912) and (attr rmsd > 7.812)) and bondedto(attr rmsd < 18.203 and attr rmsd > 17.203)) ( attr rmsd < 4.330 and attr rmsd > 4.230) 6 6 0 peak 20953 ppm1 7.862 ppm2 4.280 volume 0.1847 assi ((( attr rmsd < 7.658) and (attr rmsd > 7.558)) and bondedto(attr rmsd < 65.693 and attr rmsd > 64.693)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 10954 ppm1 7.608 ppm2 4.775 volume 0.1672 assi ((( attr rmsd < 7.658) and (attr rmsd > 7.558)) and bondedto(attr rmsd < 18.173 and attr rmsd > 17.173)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 20954 ppm1 7.608 ppm2 4.775 volume 0.1672 assi ((( attr rmsd < 9.190) and (attr rmsd > 9.090)) and bondedto(attr rmsd < 42.056 and attr rmsd > 41.056)) ( attr rmsd < 5.125 and attr rmsd > 5.025) 6 6 0 peak 955 ppm1 9.140 ppm2 5.075 volume 0.1653 assi ((( attr rmsd < 9.189) and (attr rmsd > 9.089)) and bondedto(attr rmsd < 42.065 and attr rmsd > 41.065)) ( attr rmsd < 1.506 and attr rmsd > 1.406) 6 6 0 peak 956 ppm1 9.139 ppm2 1.456 volume 0.3508 assi ((( attr rmsd < 9.185) and (attr rmsd > 9.085)) and bondedto(attr rmsd < 42.044 and attr rmsd > 41.044)) ( attr rmsd < 5.847 and attr rmsd > 5.747) 6 6 0 peak 957 ppm1 9.135 ppm2 5.797 volume 0.9184 assi ((( attr rmsd < 9.188) and (attr rmsd > 9.088)) and bondedto(attr rmsd < 42.051 and attr rmsd > 41.051)) ( attr rmsd < 2.787 and attr rmsd > 2.687) 6 6 0 peak 958 ppm1 9.138 ppm2 2.737 volume 0.2707 assi ((( attr rmsd < 9.185) and (attr rmsd > 9.085)) and bondedto(attr rmsd < 42.037 and attr rmsd > 41.037)) ( attr rmsd < 2.635 and attr rmsd > 2.535) 6 6 0 peak 959 ppm1 9.135 ppm2 2.585 volume 0.1748 assi ((( attr rmsd < 9.184) and (attr rmsd > 9.084)) and bondedto(attr rmsd < 42.025 and attr rmsd > 41.025)) ( attr rmsd < 1.773 and attr rmsd > 1.673) 6 6 0 peak 960 ppm1 9.134 ppm2 1.723 volume 0.2176 assi ((( attr rmsd < 9.186) and (attr rmsd > 9.086)) and bondedto(attr rmsd < 42.036 and attr rmsd > 41.036)) ( attr rmsd < 0.909 and attr rmsd > 0.809) 6 6 0 peak 961 ppm1 9.136 ppm2 0.859 volume 0.4708 assi ((( attr rmsd < 8.730) and (attr rmsd > 8.630)) and bondedto(attr rmsd < 41.970 and attr rmsd > 40.970)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 962 ppm1 8.680 ppm2 4.771 volume 2.9963 assi ((( attr rmsd < 8.726) and (attr rmsd > 8.626)) and bondedto(attr rmsd < 41.974 and attr rmsd > 40.974)) ( attr rmsd < 4.090 and attr rmsd > 3.990) 6 6 0 peak 963 ppm1 8.676 ppm2 4.040 volume 0.2676 assi ((( attr rmsd < 8.731) and (attr rmsd > 8.631)) and bondedto(attr rmsd < 41.967 and attr rmsd > 40.967)) ( attr rmsd < 3.367 and attr rmsd > 3.267) 6 6 0 peak 964 ppm1 8.681 ppm2 3.317 volume 0.2576 assi ((( attr rmsd < 8.731) and (attr rmsd > 8.631)) and bondedto(attr rmsd < 41.974 and attr rmsd > 40.974)) ( attr rmsd < 2.229 and attr rmsd > 2.129) 6 6 0 peak 965 ppm1 8.681 ppm2 2.179 volume 0.2905 assi ((( attr rmsd < 8.729) and (attr rmsd > 8.629)) and bondedto(attr rmsd < 41.985 and attr rmsd > 40.985)) ( attr rmsd < 2.128 and attr rmsd > 2.028) 6 6 0 peak 966 ppm1 8.679 ppm2 2.078 volume 0.2137 assi ((( attr rmsd < 8.455) and (attr rmsd > 8.355)) and bondedto(attr rmsd < 42.088 and attr rmsd > 41.088)) ( attr rmsd < 4.644 and attr rmsd > 4.544) 6 6 0 peak 967 ppm1 8.405 ppm2 4.594 volume 1.2476 assi ((( attr rmsd < 8.458) and (attr rmsd > 8.358)) and bondedto(attr rmsd < 42.059 and attr rmsd > 41.059)) ( attr rmsd < 3.718 and attr rmsd > 3.618) 6 6 0 peak 968 ppm1 8.408 ppm2 3.668 volume 0.4490 assi ((( attr rmsd < 8.458) and (attr rmsd > 8.358)) and bondedto(attr rmsd < 42.090 and attr rmsd > 41.090)) ( attr rmsd < 1.823 and attr rmsd > 1.723) 6 6 0 peak 969 ppm1 8.408 ppm2 1.773 volume 1.6551 assi ((( attr rmsd < 8.393) and (attr rmsd > 8.293)) and bondedto(attr rmsd < 41.933 and attr rmsd > 40.933)) ( attr rmsd < 5.682 and attr rmsd > 5.582) 6 6 0 peak 970 ppm1 8.343 ppm2 5.632 volume 0.2891 assi ((( attr rmsd < 8.393) and (attr rmsd > 8.293)) and bondedto(attr rmsd < 41.936 and attr rmsd > 40.936)) ( attr rmsd < 4.665 and attr rmsd > 4.565) 6 6 0 peak 971 ppm1 8.343 ppm2 4.615 volume 1.3949 assi ((( attr rmsd < 8.394) and (attr rmsd > 8.294)) and bondedto(attr rmsd < 41.925 and attr rmsd > 40.925)) ( attr rmsd < 2.532 and attr rmsd > 2.432) 6 6 0 peak 972 ppm1 8.344 ppm2 2.482 volume 0.2889 assi ((( attr rmsd < 8.391) and (attr rmsd > 8.291)) and bondedto(attr rmsd < 41.960 and attr rmsd > 40.960)) ( attr rmsd < 1.915 and attr rmsd > 1.815) 6 6 0 peak 973 ppm1 8.341 ppm2 1.865 volume 0.4378 assi ((( attr rmsd < 8.397) and (attr rmsd > 8.297)) and bondedto(attr rmsd < 41.948 and attr rmsd > 40.948)) ( attr rmsd < 1.798 and attr rmsd > 1.698) 6 6 0 peak 974 ppm1 8.347 ppm2 1.748 volume 0.9036 assi ((( attr rmsd < 8.393) and (attr rmsd > 8.293)) and bondedto(attr rmsd < 41.970 and attr rmsd > 40.970)) ( attr rmsd < 1.586 and attr rmsd > 1.486) 6 6 0 peak 975 ppm1 8.343 ppm2 1.536 volume 0.4946 assi ((( attr rmsd < 8.251) and (attr rmsd > 8.151)) and bondedto(attr rmsd < 41.935 and attr rmsd > 40.935)) ( attr rmsd < 3.600 and attr rmsd > 3.500) 6 6 0 peak 976 ppm1 8.201 ppm2 3.550 volume 0.1587 assi ((( attr rmsd < 8.251) and (attr rmsd > 8.151)) and bondedto(attr rmsd < 41.961 and attr rmsd > 40.961)) ( attr rmsd < 2.050 and attr rmsd > 1.950) 6 6 0 peak 977 ppm1 8.201 ppm2 2.000 volume 0.1922 assi ((( attr rmsd < 8.250) and (attr rmsd > 8.150)) and bondedto(attr rmsd < 41.963 and attr rmsd > 40.963)) ( attr rmsd < 0.264 and attr rmsd > 0.164) 6 6 0 peak 978 ppm1 8.200 ppm2 0.214 volume 0.1813 assi ((( attr rmsd < 8.245) and (attr rmsd > 8.145)) and bondedto(attr rmsd < 41.938 and attr rmsd > 40.938)) ( attr rmsd < 3.882 and attr rmsd > 3.782) 6 6 0 peak 979 ppm1 8.195 ppm2 3.832 volume 0.4778 assi ((( attr rmsd < 8.245) and (attr rmsd > 8.145)) and bondedto(attr rmsd < 41.921 and attr rmsd > 40.921)) ( attr rmsd < 1.808 and attr rmsd > 1.708) 6 6 0 peak 980 ppm1 8.195 ppm2 1.758 volume 1.5268 assi ((( attr rmsd < 8.248) and (attr rmsd > 8.148)) and bondedto(attr rmsd < 41.944 and attr rmsd > 40.944)) ( attr rmsd < 0.713 and attr rmsd > 0.613) 6 6 0 peak 981 ppm1 8.198 ppm2 0.663 volume 0.2076 assi ((( attr rmsd < 6.748) and (attr rmsd > 6.648)) and bondedto(attr rmsd < 41.919 and attr rmsd > 40.919)) ( attr rmsd < 0.945 and attr rmsd > 0.845) 6 6 0 peak 982 ppm1 6.698 ppm2 0.895 volume 0.2008 assi ((( attr rmsd < 8.560) and (attr rmsd > 8.460)) and bondedto(attr rmsd < 65.553 and attr rmsd > 64.553)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 10983 ppm1 8.510 ppm2 4.776 volume 0.1505 assi ((( attr rmsd < 8.560) and (attr rmsd > 8.460)) and bondedto(attr rmsd < 18.033 and attr rmsd > 17.033)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 20983 ppm1 8.510 ppm2 4.776 volume 0.1505 assi ((( attr rmsd < 7.944) and (attr rmsd > 7.844)) and bondedto(attr rmsd < 65.651 and attr rmsd > 64.651)) ( attr rmsd < 1.594 and attr rmsd > 1.494) 6 6 0 peak 10984 ppm1 7.894 ppm2 1.544 volume 0.1716 assi ((( attr rmsd < 7.944) and (attr rmsd > 7.844)) and bondedto(attr rmsd < 18.131 and attr rmsd > 17.131)) ( attr rmsd < 1.594 and attr rmsd > 1.494) 6 6 0 peak 20984 ppm1 7.894 ppm2 1.544 volume 0.1716 assi ((( attr rmsd < 9.327) and (attr rmsd > 9.227)) and bondedto(attr rmsd < 41.819 and attr rmsd > 40.819)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 985 ppm1 9.277 ppm2 0.891 volume 0.2714 assi ((( attr rmsd < 9.188) and (attr rmsd > 9.088)) and bondedto(attr rmsd < 41.894 and attr rmsd > 40.894)) ( attr rmsd < 4.817 and attr rmsd > 4.717) 6 6 0 peak 986 ppm1 9.138 ppm2 4.767 volume 0.2158 assi ((( attr rmsd < 8.247) and (attr rmsd > 8.147)) and bondedto(attr rmsd < 41.879 and attr rmsd > 40.879)) ( attr rmsd < 1.697 and attr rmsd > 1.597) 6 6 0 peak 987 ppm1 8.197 ppm2 1.647 volume 0.4099 assi ((( attr rmsd < 8.243) and (attr rmsd > 8.143)) and bondedto(attr rmsd < 41.895 and attr rmsd > 40.895)) ( attr rmsd < 0.873 and attr rmsd > 0.773) 6 6 0 peak 988 ppm1 8.193 ppm2 0.823 volume 0.4481 assi ((( attr rmsd < 8.033) and (attr rmsd > 7.933)) and bondedto(attr rmsd < 41.724 and attr rmsd > 40.724)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 989 ppm1 7.983 ppm2 4.774 volume 1.0860 assi ((( attr rmsd < 8.041) and (attr rmsd > 7.941)) and bondedto(attr rmsd < 41.734 and attr rmsd > 40.734)) ( attr rmsd < 4.691 and attr rmsd > 4.591) 6 6 0 peak 990 ppm1 7.991 ppm2 4.641 volume 1.0901 assi ((( attr rmsd < 8.043) and (attr rmsd > 7.943)) and bondedto(attr rmsd < 41.757 and attr rmsd > 40.757)) ( attr rmsd < 2.356 and attr rmsd > 2.256) 6 6 0 peak 991 ppm1 7.993 ppm2 2.306 volume 0.2333 assi ((( attr rmsd < 8.017) and (attr rmsd > 7.917)) and bondedto(attr rmsd < 41.815 and attr rmsd > 40.815)) ( attr rmsd < 1.234 and attr rmsd > 1.134) 6 6 0 peak 992 ppm1 7.967 ppm2 1.184 volume 1.0927 assi ((( attr rmsd < 8.023) and (attr rmsd > 7.923)) and bondedto(attr rmsd < 41.877 and attr rmsd > 40.877)) ( attr rmsd < 0.937 and attr rmsd > 0.837) 6 6 0 peak 993 ppm1 7.973 ppm2 0.887 volume 0.2279 assi ((( attr rmsd < 8.006) and (attr rmsd > 7.906)) and bondedto(attr rmsd < 41.871 and attr rmsd > 40.871)) ( attr rmsd < 4.321 and attr rmsd > 4.221) 6 6 0 peak 994 ppm1 7.956 ppm2 4.271 volume 0.8072 assi ((( attr rmsd < 8.009) and (attr rmsd > 7.909)) and bondedto(attr rmsd < 41.847 and attr rmsd > 40.847)) ( attr rmsd < 2.584 and attr rmsd > 2.484) 6 6 0 peak 995 ppm1 7.959 ppm2 2.534 volume 0.1602 assi ((( attr rmsd < 8.007) and (attr rmsd > 7.907)) and bondedto(attr rmsd < 41.853 and attr rmsd > 40.853)) ( attr rmsd < 1.663 and attr rmsd > 1.563) 6 6 0 peak 996 ppm1 7.957 ppm2 1.613 volume 0.2167 assi ((( attr rmsd < 7.593) and (attr rmsd > 7.493)) and bondedto(attr rmsd < 41.832 and attr rmsd > 40.832)) ( attr rmsd < 4.269 and attr rmsd > 4.169) 6 6 0 peak 997 ppm1 7.543 ppm2 4.219 volume 0.6313 assi ((( attr rmsd < 7.594) and (attr rmsd > 7.494)) and bondedto(attr rmsd < 41.891 and attr rmsd > 40.891)) ( attr rmsd < 4.106 and attr rmsd > 4.006) 6 6 0 peak 998 ppm1 7.544 ppm2 4.056 volume 0.2325 assi ((( attr rmsd < 7.591) and (attr rmsd > 7.491)) and bondedto(attr rmsd < 41.825 and attr rmsd > 40.825)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 999 ppm1 7.541 ppm2 3.838 volume 0.1592 assi ((( attr rmsd < 7.591) and (attr rmsd > 7.491)) and bondedto(attr rmsd < 41.842 and attr rmsd > 40.842)) ( attr rmsd < 2.046 and attr rmsd > 1.946) 6 6 0 peak 1000 ppm1 7.541 ppm2 1.996 volume 1.2454 assi ((( attr rmsd < 7.593) and (attr rmsd > 7.493)) and bondedto(attr rmsd < 41.807 and attr rmsd > 40.807)) ( attr rmsd < 1.681 and attr rmsd > 1.581) 6 6 0 peak 1001 ppm1 7.543 ppm2 1.631 volume 0.1883 assi ((( attr rmsd < 7.593) and (attr rmsd > 7.493)) and bondedto(attr rmsd < 41.870 and attr rmsd > 40.870)) ( attr rmsd < 1.574 and attr rmsd > 1.474) 6 6 0 peak 1002 ppm1 7.543 ppm2 1.524 volume 0.1894 assi ((( attr rmsd < 7.589) and (attr rmsd > 7.489)) and bondedto(attr rmsd < 41.843 and attr rmsd > 40.843)) ( attr rmsd < 1.804 and attr rmsd > 1.704) 6 6 0 peak 1003 ppm1 7.539 ppm2 1.754 volume 0.4965 assi ((( attr rmsd < 8.988) and (attr rmsd > 8.888)) and bondedto(attr rmsd < 41.645 and attr rmsd > 40.645)) ( attr rmsd < 4.224 and attr rmsd > 4.124) 6 6 0 peak 1004 ppm1 8.938 ppm2 4.174 volume 0.1554 assi ((( attr rmsd < 8.986) and (attr rmsd > 8.886)) and bondedto(attr rmsd < 41.658 and attr rmsd > 40.658)) ( attr rmsd < 3.640 and attr rmsd > 3.540) 6 6 0 peak 1005 ppm1 8.936 ppm2 3.590 volume 0.4083 assi ((( attr rmsd < 8.982) and (attr rmsd > 8.882)) and bondedto(attr rmsd < 41.634 and attr rmsd > 40.634)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 1006 ppm1 8.932 ppm2 4.771 volume 0.6581 assi ((( attr rmsd < 8.980) and (attr rmsd > 8.880)) and bondedto(attr rmsd < 41.663 and attr rmsd > 40.663)) ( attr rmsd < 3.857 and attr rmsd > 3.757) 6 6 0 peak 1007 ppm1 8.930 ppm2 3.807 volume 0.1667 assi ((( attr rmsd < 8.983) and (attr rmsd > 8.883)) and bondedto(attr rmsd < 41.636 and attr rmsd > 40.636)) ( attr rmsd < 2.037 and attr rmsd > 1.937) 6 6 0 peak 1008 ppm1 8.933 ppm2 1.987 volume 0.2533 assi ((( attr rmsd < 8.984) and (attr rmsd > 8.884)) and bondedto(attr rmsd < 41.638 and attr rmsd > 40.638)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 1009 ppm1 8.934 ppm2 1.750 volume 0.8345 assi ((( attr rmsd < 8.980) and (attr rmsd > 8.880)) and bondedto(attr rmsd < 41.633 and attr rmsd > 40.633)) ( attr rmsd < 0.837 and attr rmsd > 0.737) 6 6 0 peak 1010 ppm1 8.930 ppm2 0.787 volume 0.7900 assi ((( attr rmsd < 8.985) and (attr rmsd > 8.885)) and bondedto(attr rmsd < 41.664 and attr rmsd > 40.664)) ( attr rmsd < 0.421 and attr rmsd > 0.321) 6 6 0 peak 1011 ppm1 8.935 ppm2 0.371 volume 0.2404 assi ((( attr rmsd < 8.150) and (attr rmsd > 8.050)) and bondedto(attr rmsd < 41.596 and attr rmsd > 40.596)) ( attr rmsd < 0.927 and attr rmsd > 0.827) 6 6 0 peak 1012 ppm1 8.100 ppm2 0.877 volume 0.3053 assi ((( attr rmsd < 8.040) and (attr rmsd > 7.940)) and bondedto(attr rmsd < 41.710 and attr rmsd > 40.710)) ( attr rmsd < 5.074 and attr rmsd > 4.974) 6 6 0 peak 1013 ppm1 7.990 ppm2 5.024 volume 0.3071 assi ((( attr rmsd < 8.043) and (attr rmsd > 7.943)) and bondedto(attr rmsd < 41.711 and attr rmsd > 40.711)) ( attr rmsd < 3.294 and attr rmsd > 3.194) 6 6 0 peak 1014 ppm1 7.993 ppm2 3.244 volume 0.3597 assi ((( attr rmsd < 8.043) and (attr rmsd > 7.943)) and bondedto(attr rmsd < 41.657 and attr rmsd > 40.657)) ( attr rmsd < 3.023 and attr rmsd > 2.923) 6 6 0 peak 1015 ppm1 7.993 ppm2 2.973 volume 0.4746 assi ((( attr rmsd < 7.852) and (attr rmsd > 7.752)) and bondedto(attr rmsd < 65.147 and attr rmsd > 64.147)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11016 ppm1 7.802 ppm2 4.774 volume 0.2542 assi ((( attr rmsd < 7.852) and (attr rmsd > 7.752)) and bondedto(attr rmsd < 17.627 and attr rmsd > 16.627)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21016 ppm1 7.802 ppm2 4.774 volume 0.2542 assi ((( attr rmsd < 8.989) and (attr rmsd > 8.889)) and bondedto(attr rmsd < 41.384 and attr rmsd > 40.384)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 1017 ppm1 8.939 ppm2 2.116 volume 0.2155 assi ((( attr rmsd < 8.213) and (attr rmsd > 8.113)) and bondedto(attr rmsd < 41.517 and attr rmsd > 40.517)) ( attr rmsd < 4.404 and attr rmsd > 4.304) 6 6 0 peak 1018 ppm1 8.163 ppm2 4.354 volume 0.4531 assi ((( attr rmsd < 8.217) and (attr rmsd > 8.117)) and bondedto(attr rmsd < 41.518 and attr rmsd > 40.518)) ( attr rmsd < 2.535 and attr rmsd > 2.435) 6 6 0 peak 1019 ppm1 8.167 ppm2 2.485 volume 0.3085 assi ((( attr rmsd < 8.214) and (attr rmsd > 8.114)) and bondedto(attr rmsd < 41.513 and attr rmsd > 40.513)) ( attr rmsd < 2.358 and attr rmsd > 2.258) 6 6 0 peak 1020 ppm1 8.164 ppm2 2.308 volume 1.0895 assi ((( attr rmsd < 8.212) and (attr rmsd > 8.112)) and bondedto(attr rmsd < 41.381 and attr rmsd > 40.381)) ( attr rmsd < 2.164 and attr rmsd > 2.064) 6 6 0 peak 1021 ppm1 8.162 ppm2 2.114 volume 0.2808 assi ((( attr rmsd < 8.146) and (attr rmsd > 8.046)) and bondedto(attr rmsd < 41.416 and attr rmsd > 40.416)) ( attr rmsd < 4.284 and attr rmsd > 4.184) 6 6 0 peak 1022 ppm1 8.096 ppm2 4.234 volume 0.5830 assi ((( attr rmsd < 8.149) and (attr rmsd > 8.049)) and bondedto(attr rmsd < 41.417 and attr rmsd > 40.417)) ( attr rmsd < 4.117 and attr rmsd > 4.017) 6 6 0 peak 1023 ppm1 8.099 ppm2 4.067 volume 0.2049 assi ((( attr rmsd < 8.146) and (attr rmsd > 8.046)) and bondedto(attr rmsd < 41.412 and attr rmsd > 40.412)) ( attr rmsd < 3.882 and attr rmsd > 3.782) 6 6 0 peak 1024 ppm1 8.096 ppm2 3.832 volume 0.1536 assi ((( attr rmsd < 8.148) and (attr rmsd > 8.048)) and bondedto(attr rmsd < 41.389 and attr rmsd > 40.389)) ( attr rmsd < 2.180 and attr rmsd > 2.080) 6 6 0 peak 1025 ppm1 8.098 ppm2 2.130 volume 0.4332 assi ((( attr rmsd < 8.149) and (attr rmsd > 8.049)) and bondedto(attr rmsd < 41.395 and attr rmsd > 40.395)) ( attr rmsd < 1.840 and attr rmsd > 1.740) 6 6 0 peak 1026 ppm1 8.099 ppm2 1.790 volume 0.6430 assi ((( attr rmsd < 8.147) and (attr rmsd > 8.047)) and bondedto(attr rmsd < 41.411 and attr rmsd > 40.411)) ( attr rmsd < 1.665 and attr rmsd > 1.565) 6 6 0 peak 1027 ppm1 8.097 ppm2 1.615 volume 0.6220 assi ((( attr rmsd < 8.149) and (attr rmsd > 8.049)) and bondedto(attr rmsd < 41.390 and attr rmsd > 40.390)) ( attr rmsd < 0.742 and attr rmsd > 0.642) 6 6 0 peak 1028 ppm1 8.099 ppm2 0.692 volume 0.2162 assi ((( attr rmsd < 8.078) and (attr rmsd > 7.978)) and bondedto(attr rmsd < 41.480 and attr rmsd > 40.480)) ( attr rmsd < 2.789 and attr rmsd > 2.689) 6 6 0 peak 1029 ppm1 8.028 ppm2 2.739 volume 0.2099 assi ((( attr rmsd < 8.077) and (attr rmsd > 7.977)) and bondedto(attr rmsd < 41.529 and attr rmsd > 40.529)) ( attr rmsd < 2.637 and attr rmsd > 2.537) 6 6 0 peak 1030 ppm1 8.027 ppm2 2.587 volume 0.2903 assi ((( attr rmsd < 8.073) and (attr rmsd > 7.973)) and bondedto(attr rmsd < 41.531 and attr rmsd > 40.531)) ( attr rmsd < 5.842 and attr rmsd > 5.742) 6 6 0 peak 1031 ppm1 8.023 ppm2 5.792 volume 0.1833 assi ((( attr rmsd < 8.075) and (attr rmsd > 7.975)) and bondedto(attr rmsd < 41.517 and attr rmsd > 40.517)) ( attr rmsd < 4.509 and attr rmsd > 4.409) 6 6 0 peak 1032 ppm1 8.025 ppm2 4.459 volume 0.7355 assi ((( attr rmsd < 8.073) and (attr rmsd > 7.973)) and bondedto(attr rmsd < 41.521 and attr rmsd > 40.521)) ( attr rmsd < 4.164 and attr rmsd > 4.064) 6 6 0 peak 1033 ppm1 8.023 ppm2 4.114 volume 0.3904 assi ((( attr rmsd < 8.734) and (attr rmsd > 8.634)) and bondedto(attr rmsd < 64.933 and attr rmsd > 63.933)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 11034 ppm1 8.684 ppm2 4.772 volume 0.3783 assi ((( attr rmsd < 8.734) and (attr rmsd > 8.634)) and bondedto(attr rmsd < 17.413 and attr rmsd > 16.413)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 21034 ppm1 8.684 ppm2 4.772 volume 0.3783 assi ((( attr rmsd < 8.458) and (attr rmsd > 8.358)) and bondedto(attr rmsd < 65.008 and attr rmsd > 64.008)) ( attr rmsd < 4.651 and attr rmsd > 4.551) 6 6 0 peak 11035 ppm1 8.408 ppm2 4.601 volume 0.1874 assi ((( attr rmsd < 8.458) and (attr rmsd > 8.358)) and bondedto(attr rmsd < 17.488 and attr rmsd > 16.488)) ( attr rmsd < 4.651 and attr rmsd > 4.551) 6 6 0 peak 21035 ppm1 8.408 ppm2 4.601 volume 0.1874 assi ((( attr rmsd < 8.457) and (attr rmsd > 8.357)) and bondedto(attr rmsd < 65.033 and attr rmsd > 64.033)) ( attr rmsd < 1.832 and attr rmsd > 1.732) 6 6 0 peak 11036 ppm1 8.407 ppm2 1.782 volume 0.1762 assi ((( attr rmsd < 8.457) and (attr rmsd > 8.357)) and bondedto(attr rmsd < 17.513 and attr rmsd > 16.513)) ( attr rmsd < 1.832 and attr rmsd > 1.732) 6 6 0 peak 21036 ppm1 8.407 ppm2 1.782 volume 0.1762 assi ((( attr rmsd < 8.394) and (attr rmsd > 8.294)) and bondedto(attr rmsd < 64.875 and attr rmsd > 63.875)) ( attr rmsd < 4.666 and attr rmsd > 4.566) 6 6 0 peak 11037 ppm1 8.344 ppm2 4.616 volume 0.1715 assi ((( attr rmsd < 8.394) and (attr rmsd > 8.294)) and bondedto(attr rmsd < 17.355 and attr rmsd > 16.355)) ( attr rmsd < 4.666 and attr rmsd > 4.566) 6 6 0 peak 21037 ppm1 8.344 ppm2 4.616 volume 0.1715 assi ((( attr rmsd < 8.310) and (attr rmsd > 8.210)) and bondedto(attr rmsd < 64.736 and attr rmsd > 63.736)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11038 ppm1 8.260 ppm2 4.774 volume 0.2714 assi ((( attr rmsd < 8.310) and (attr rmsd > 8.210)) and bondedto(attr rmsd < 17.216 and attr rmsd > 16.216)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21038 ppm1 8.260 ppm2 4.774 volume 0.2714 assi ((( attr rmsd < 8.139) and (attr rmsd > 8.039)) and bondedto(attr rmsd < 64.803 and attr rmsd > 63.803)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11039 ppm1 8.089 ppm2 4.775 volume 0.1607 assi ((( attr rmsd < 8.139) and (attr rmsd > 8.039)) and bondedto(attr rmsd < 17.283 and attr rmsd > 16.283)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21039 ppm1 8.089 ppm2 4.775 volume 0.1607 assi ((( attr rmsd < 7.592) and (attr rmsd > 7.492)) and bondedto(attr rmsd < 64.779 and attr rmsd > 63.779)) ( attr rmsd < 2.052 and attr rmsd > 1.952) 6 6 0 peak 11040 ppm1 7.542 ppm2 2.002 volume 0.1590 assi ((( attr rmsd < 7.592) and (attr rmsd > 7.492)) and bondedto(attr rmsd < 17.259 and attr rmsd > 16.259)) ( attr rmsd < 2.052 and attr rmsd > 1.952) 6 6 0 peak 21040 ppm1 7.542 ppm2 2.002 volume 0.1590 assi ((( attr rmsd < 7.029) and (attr rmsd > 6.929)) and bondedto(attr rmsd < 64.848 and attr rmsd > 63.848)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11041 ppm1 6.979 ppm2 4.777 volume 0.1497 assi ((( attr rmsd < 7.029) and (attr rmsd > 6.929)) and bondedto(attr rmsd < 17.328 and attr rmsd > 16.328)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21041 ppm1 6.979 ppm2 4.777 volume 0.1497 assi ((( attr rmsd < 6.938) and (attr rmsd > 6.838)) and bondedto(attr rmsd < 64.787 and attr rmsd > 63.787)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11042 ppm1 6.888 ppm2 4.776 volume 0.1595 assi ((( attr rmsd < 6.938) and (attr rmsd > 6.838)) and bondedto(attr rmsd < 17.267 and attr rmsd > 16.267)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21042 ppm1 6.888 ppm2 4.776 volume 0.1595 assi ((( attr rmsd < 8.252) and (attr rmsd > 8.152)) and bondedto(attr rmsd < 41.022 and attr rmsd > 40.022)) ( attr rmsd < 1.839 and attr rmsd > 1.739) 6 6 0 peak 1043 ppm1 8.202 ppm2 1.789 volume 0.8627 assi ((( attr rmsd < 8.251) and (attr rmsd > 8.151)) and bondedto(attr rmsd < 41.033 and attr rmsd > 40.033)) ( attr rmsd < 1.549 and attr rmsd > 1.449) 6 6 0 peak 1044 ppm1 8.201 ppm2 1.499 volume 0.5894 assi ((( attr rmsd < 8.252) and (attr rmsd > 8.152)) and bondedto(attr rmsd < 41.042 and attr rmsd > 40.042)) ( attr rmsd < 1.493 and attr rmsd > 1.393) 6 6 0 peak 1045 ppm1 8.202 ppm2 1.443 volume 0.7984 assi ((( attr rmsd < 8.248) and (attr rmsd > 8.148)) and bondedto(attr rmsd < 41.092 and attr rmsd > 40.092)) ( attr rmsd < 4.196 and attr rmsd > 4.096) 6 6 0 peak 1046 ppm1 8.198 ppm2 4.146 volume 0.7654 assi ((( attr rmsd < 7.606) and (attr rmsd > 7.506)) and bondedto(attr rmsd < 64.726 and attr rmsd > 63.726)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11047 ppm1 7.556 ppm2 4.776 volume 0.1522 assi ((( attr rmsd < 7.606) and (attr rmsd > 7.506)) and bondedto(attr rmsd < 17.206 and attr rmsd > 16.206)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21047 ppm1 7.556 ppm2 4.776 volume 0.1522 assi ((( attr rmsd < 8.072) and (attr rmsd > 7.972)) and bondedto(attr rmsd < 64.391 and attr rmsd > 63.391)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 11048 ppm1 8.022 ppm2 4.773 volume 0.1631 assi ((( attr rmsd < 8.072) and (attr rmsd > 7.972)) and bondedto(attr rmsd < 16.871 and attr rmsd > 15.871)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 21048 ppm1 8.022 ppm2 4.773 volume 0.1631 assi ((( attr rmsd < 9.301) and (attr rmsd > 9.201)) and bondedto(attr rmsd < 40.698 and attr rmsd > 39.698)) ( attr rmsd < 4.535 and attr rmsd > 4.435) 6 6 0 peak 1049 ppm1 9.251 ppm2 4.485 volume 0.5224 assi ((( attr rmsd < 9.300) and (attr rmsd > 9.200)) and bondedto(attr rmsd < 40.702 and attr rmsd > 39.702)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 1050 ppm1 9.250 ppm2 3.664 volume 1.0850 assi ((( attr rmsd < 9.301) and (attr rmsd > 9.201)) and bondedto(attr rmsd < 40.702 and attr rmsd > 39.702)) ( attr rmsd < 0.904 and attr rmsd > 0.804) 6 6 0 peak 1051 ppm1 9.251 ppm2 0.854 volume 0.1743 assi ((( attr rmsd < 9.296) and (attr rmsd > 9.196)) and bondedto(attr rmsd < 40.702 and attr rmsd > 39.702)) ( attr rmsd < 2.320 and attr rmsd > 2.220) 6 6 0 peak 1052 ppm1 9.246 ppm2 2.270 volume 0.2542 assi ((( attr rmsd < 9.295) and (attr rmsd > 9.195)) and bondedto(attr rmsd < 40.704 and attr rmsd > 39.704)) ( attr rmsd < 1.775 and attr rmsd > 1.675) 6 6 0 peak 1053 ppm1 9.245 ppm2 1.725 volume 0.2846 assi ((( attr rmsd < 9.296) and (attr rmsd > 9.196)) and bondedto(attr rmsd < 40.697 and attr rmsd > 39.697)) ( attr rmsd < 0.554 and attr rmsd > 0.454) 6 6 0 peak 1054 ppm1 9.246 ppm2 0.504 volume 0.2369 assi ((( attr rmsd < 8.393) and (attr rmsd > 8.293)) and bondedto(attr rmsd < 40.732 and attr rmsd > 39.732)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 1055 ppm1 8.343 ppm2 4.774 volume 0.3985 assi ((( attr rmsd < 9.490) and (attr rmsd > 9.390)) and bondedto(attr rmsd < 40.416 and attr rmsd > 39.416)) ( attr rmsd < 2.391 and attr rmsd > 2.291) 6 6 0 peak 1056 ppm1 9.440 ppm2 2.341 volume 0.4550 assi ((( attr rmsd < 9.485) and (attr rmsd > 9.385)) and bondedto(attr rmsd < 40.443 and attr rmsd > 39.443)) ( attr rmsd < 3.640 and attr rmsd > 3.540) 6 6 0 peak 1057 ppm1 9.435 ppm2 3.590 volume 0.1532 assi ((( attr rmsd < 7.835) and (attr rmsd > 7.735)) and bondedto(attr rmsd < 40.593 and attr rmsd > 39.593)) ( attr rmsd < 4.273 and attr rmsd > 4.173) 6 6 0 peak 1058 ppm1 7.785 ppm2 4.223 volume 0.1865 assi ((( attr rmsd < 7.833) and (attr rmsd > 7.733)) and bondedto(attr rmsd < 40.549 and attr rmsd > 39.549)) ( attr rmsd < 3.969 and attr rmsd > 3.869) 6 6 0 peak 1059 ppm1 7.783 ppm2 3.919 volume 0.6495 assi ((( attr rmsd < 7.835) and (attr rmsd > 7.735)) and bondedto(attr rmsd < 40.558 and attr rmsd > 39.558)) ( attr rmsd < 2.000 and attr rmsd > 1.900) 6 6 0 peak 1060 ppm1 7.785 ppm2 1.950 volume 1.0266 assi ((( attr rmsd < 7.833) and (attr rmsd > 7.733)) and bondedto(attr rmsd < 40.559 and attr rmsd > 39.559)) ( attr rmsd < 1.774 and attr rmsd > 1.674) 6 6 0 peak 1061 ppm1 7.783 ppm2 1.724 volume 0.6980 assi ((( attr rmsd < 7.836) and (attr rmsd > 7.736)) and bondedto(attr rmsd < 40.568 and attr rmsd > 39.568)) ( attr rmsd < 1.524 and attr rmsd > 1.424) 6 6 0 peak 1062 ppm1 7.786 ppm2 1.474 volume 0.8567 assi ((( attr rmsd < 8.737) and (attr rmsd > 8.637)) and bondedto(attr rmsd < 64.069 and attr rmsd > 63.069)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11063 ppm1 8.687 ppm2 4.776 volume 0.1512 assi ((( attr rmsd < 8.737) and (attr rmsd > 8.637)) and bondedto(attr rmsd < 16.549 and attr rmsd > 15.549)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21063 ppm1 8.687 ppm2 4.776 volume 0.1512 assi ((( attr rmsd < 8.253) and (attr rmsd > 8.153)) and bondedto(attr rmsd < 64.015 and attr rmsd > 63.015)) ( attr rmsd < 1.836 and attr rmsd > 1.736) 6 6 0 peak 11064 ppm1 8.203 ppm2 1.786 volume 0.1573 assi ((( attr rmsd < 8.253) and (attr rmsd > 8.153)) and bondedto(attr rmsd < 16.495 and attr rmsd > 15.495)) ( attr rmsd < 1.836 and attr rmsd > 1.736) 6 6 0 peak 21064 ppm1 8.203 ppm2 1.786 volume 0.1573 assi ((( attr rmsd < 8.150) and (attr rmsd > 8.050)) and bondedto(attr rmsd < 64.053 and attr rmsd > 63.053)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11065 ppm1 8.100 ppm2 4.777 volume 0.1813 assi ((( attr rmsd < 8.150) and (attr rmsd > 8.050)) and bondedto(attr rmsd < 16.533 and attr rmsd > 15.533)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21065 ppm1 8.100 ppm2 4.777 volume 0.1813 assi ((( attr rmsd < 9.490) and (attr rmsd > 9.390)) and bondedto(attr rmsd < 40.390 and attr rmsd > 39.390)) ( attr rmsd < 4.186 and attr rmsd > 4.086) 6 6 0 peak 1066 ppm1 9.440 ppm2 4.136 volume 0.5376 assi ((( attr rmsd < 9.485) and (attr rmsd > 9.385)) and bondedto(attr rmsd < 40.411 and attr rmsd > 39.411)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 1067 ppm1 9.435 ppm2 4.772 volume 0.5350 assi ((( attr rmsd < 9.487) and (attr rmsd > 9.387)) and bondedto(attr rmsd < 40.405 and attr rmsd > 39.405)) ( attr rmsd < 2.218 and attr rmsd > 2.118) 6 6 0 peak 1068 ppm1 9.437 ppm2 2.168 volume 0.5525 assi ((( attr rmsd < 9.486) and (attr rmsd > 9.386)) and bondedto(attr rmsd < 40.390 and attr rmsd > 39.390)) ( attr rmsd < 2.122 and attr rmsd > 2.022) 6 6 0 peak 1069 ppm1 9.436 ppm2 2.072 volume 0.6105 assi ((( attr rmsd < 8.303) and (attr rmsd > 8.203)) and bondedto(attr rmsd < 63.915 and attr rmsd > 62.915)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 11070 ppm1 8.253 ppm2 4.867 volume 0.1544 assi ((( attr rmsd < 8.303) and (attr rmsd > 8.203)) and bondedto(attr rmsd < 16.395 and attr rmsd > 15.395)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 21070 ppm1 8.253 ppm2 4.867 volume 0.1544 assi ((( attr rmsd < 8.219) and (attr rmsd > 8.119)) and bondedto(attr rmsd < 63.846 and attr rmsd > 62.846)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11071 ppm1 8.169 ppm2 4.774 volume 0.1460 assi ((( attr rmsd < 8.219) and (attr rmsd > 8.119)) and bondedto(attr rmsd < 16.326 and attr rmsd > 15.326)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21071 ppm1 8.169 ppm2 4.774 volume 0.1460 assi ((( attr rmsd < 7.669) and (attr rmsd > 7.569)) and bondedto(attr rmsd < 63.934 and attr rmsd > 62.934)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11072 ppm1 7.619 ppm2 4.776 volume 0.6362 assi ((( attr rmsd < 7.669) and (attr rmsd > 7.569)) and bondedto(attr rmsd < 16.414 and attr rmsd > 15.414)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21072 ppm1 7.619 ppm2 4.776 volume 0.6362 assi ((( attr rmsd < 7.604) and (attr rmsd > 7.504)) and bondedto(attr rmsd < 63.893 and attr rmsd > 62.893)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 11073 ppm1 7.554 ppm2 4.773 volume 0.5328 assi ((( attr rmsd < 7.604) and (attr rmsd > 7.504)) and bondedto(attr rmsd < 16.373 and attr rmsd > 15.373)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 21073 ppm1 7.554 ppm2 4.773 volume 0.5328 assi ((( attr rmsd < 7.107) and (attr rmsd > 7.007)) and bondedto(attr rmsd < 63.885 and attr rmsd > 62.885)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11074 ppm1 7.057 ppm2 4.776 volume 0.2866 assi ((( attr rmsd < 7.107) and (attr rmsd > 7.007)) and bondedto(attr rmsd < 16.365 and attr rmsd > 15.365)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21074 ppm1 7.057 ppm2 4.776 volume 0.2866 assi ((( attr rmsd < 7.018) and (attr rmsd > 6.918)) and bondedto(attr rmsd < 63.971 and attr rmsd > 62.971)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11075 ppm1 6.968 ppm2 4.776 volume 0.3893 assi ((( attr rmsd < 7.018) and (attr rmsd > 6.918)) and bondedto(attr rmsd < 16.451 and attr rmsd > 15.451)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21075 ppm1 6.968 ppm2 4.776 volume 0.3893 assi ((( attr rmsd < 6.937) and (attr rmsd > 6.837)) and bondedto(attr rmsd < 63.912 and attr rmsd > 62.912)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11076 ppm1 6.887 ppm2 4.777 volume 0.4418 assi ((( attr rmsd < 6.937) and (attr rmsd > 6.837)) and bondedto(attr rmsd < 16.392 and attr rmsd > 15.392)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21076 ppm1 6.887 ppm2 4.777 volume 0.4418 assi ((( attr rmsd < 8.309) and (attr rmsd > 8.209)) and bondedto(attr rmsd < 40.153 and attr rmsd > 39.153)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 1077 ppm1 8.259 ppm2 4.772 volume 3.3800 assi ((( attr rmsd < 8.310) and (attr rmsd > 8.210)) and bondedto(attr rmsd < 40.161 and attr rmsd > 39.161)) ( attr rmsd < 4.282 and attr rmsd > 4.182) 6 6 0 peak 1078 ppm1 8.260 ppm2 4.232 volume 0.2358 assi ((( attr rmsd < 8.309) and (attr rmsd > 8.209)) and bondedto(attr rmsd < 40.159 and attr rmsd > 39.159)) ( attr rmsd < 4.036 and attr rmsd > 3.936) 6 6 0 peak 1079 ppm1 8.259 ppm2 3.986 volume 0.4236 assi ((( attr rmsd < 8.310) and (attr rmsd > 8.210)) and bondedto(attr rmsd < 40.122 and attr rmsd > 39.122)) ( attr rmsd < 2.119 and attr rmsd > 2.019) 6 6 0 peak 1080 ppm1 8.260 ppm2 2.069 volume 0.1492 assi ((( attr rmsd < 9.488) and (attr rmsd > 9.388)) and bondedto(attr rmsd < 63.328 and attr rmsd > 62.328)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11081 ppm1 9.438 ppm2 4.774 volume 0.1590 assi ((( attr rmsd < 9.488) and (attr rmsd > 9.388)) and bondedto(attr rmsd < 15.808 and attr rmsd > 14.808)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21081 ppm1 9.438 ppm2 4.774 volume 0.1590 assi ((( attr rmsd < 8.962) and (attr rmsd > 8.862)) and bondedto(attr rmsd < 39.537 and attr rmsd > 38.537)) ( attr rmsd < 5.006 and attr rmsd > 4.906) 6 6 0 peak 1082 ppm1 8.912 ppm2 4.956 volume 0.9389 assi ((( attr rmsd < 8.960) and (attr rmsd > 8.860)) and bondedto(attr rmsd < 39.536 and attr rmsd > 38.536)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 1083 ppm1 8.910 ppm2 4.773 volume 0.5687 assi ((( attr rmsd < 8.956) and (attr rmsd > 8.856)) and bondedto(attr rmsd < 39.580 and attr rmsd > 38.580)) ( attr rmsd < 4.682 and attr rmsd > 4.582) 6 6 0 peak 1084 ppm1 8.906 ppm2 4.632 volume 0.1567 assi ((( attr rmsd < 8.960) and (attr rmsd > 8.860)) and bondedto(attr rmsd < 39.524 and attr rmsd > 38.524)) ( attr rmsd < 4.245 and attr rmsd > 4.145) 6 6 0 peak 1085 ppm1 8.910 ppm2 4.195 volume 0.1867 assi ((( attr rmsd < 8.962) and (attr rmsd > 8.862)) and bondedto(attr rmsd < 39.533 and attr rmsd > 38.533)) ( attr rmsd < 3.565 and attr rmsd > 3.465) 6 6 0 peak 1086 ppm1 8.912 ppm2 3.515 volume 0.3602 assi ((( attr rmsd < 8.963) and (attr rmsd > 8.863)) and bondedto(attr rmsd < 39.535 and attr rmsd > 38.535)) ( attr rmsd < 2.064 and attr rmsd > 1.964) 6 6 0 peak 1087 ppm1 8.913 ppm2 2.014 volume 0.3270 assi ((( attr rmsd < 8.961) and (attr rmsd > 8.861)) and bondedto(attr rmsd < 39.538 and attr rmsd > 38.538)) ( attr rmsd < 1.786 and attr rmsd > 1.686) 6 6 0 peak 1088 ppm1 8.911 ppm2 1.736 volume 0.3331 assi ((( attr rmsd < 8.959) and (attr rmsd > 8.859)) and bondedto(attr rmsd < 39.531 and attr rmsd > 38.531)) ( attr rmsd < 1.261 and attr rmsd > 1.161) 6 6 0 peak 1089 ppm1 8.909 ppm2 1.211 volume 0.7430 assi ((( attr rmsd < 8.312) and (attr rmsd > 8.212)) and bondedto(attr rmsd < 63.105 and attr rmsd > 62.105)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 11090 ppm1 8.262 ppm2 4.778 volume 0.4945 assi ((( attr rmsd < 8.312) and (attr rmsd > 8.212)) and bondedto(attr rmsd < 15.585 and attr rmsd > 14.585)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 21090 ppm1 8.262 ppm2 4.778 volume 0.4945 assi ((( attr rmsd < 7.670) and (attr rmsd > 7.570)) and bondedto(attr rmsd < 63.077 and attr rmsd > 62.077)) ( attr rmsd < 0.701 and attr rmsd > 0.601) 6 6 0 peak 11091 ppm1 7.620 ppm2 0.651 volume 0.1534 assi ((( attr rmsd < 7.670) and (attr rmsd > 7.570)) and bondedto(attr rmsd < 15.557 and attr rmsd > 14.557)) ( attr rmsd < 0.701 and attr rmsd > 0.601) 6 6 0 peak 21091 ppm1 7.620 ppm2 0.651 volume 0.1534 assi ((( attr rmsd < 7.672) and (attr rmsd > 7.572)) and bondedto(attr rmsd < 39.358 and attr rmsd > 38.358)) ( attr rmsd < 3.054 and attr rmsd > 2.954) 6 6 0 peak 1092 ppm1 7.622 ppm2 3.004 volume 0.1856 assi ((( attr rmsd < 7.666) and (attr rmsd > 7.566)) and bondedto(attr rmsd < 39.332 and attr rmsd > 38.332)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 1093 ppm1 7.616 ppm2 4.773 volume 5.8699 assi ((( attr rmsd < 7.602) and (attr rmsd > 7.502)) and bondedto(attr rmsd < 39.302 and attr rmsd > 38.302)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 1094 ppm1 7.552 ppm2 4.773 volume 4.3402 assi ((( attr rmsd < 7.107) and (attr rmsd > 7.007)) and bondedto(attr rmsd < 39.295 and attr rmsd > 38.295)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 1095 ppm1 7.057 ppm2 4.776 volume 1.9371 assi ((( attr rmsd < 7.014) and (attr rmsd > 6.914)) and bondedto(attr rmsd < 39.381 and attr rmsd > 38.381)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 1096 ppm1 6.964 ppm2 4.775 volume 3.6158 assi ((( attr rmsd < 7.020) and (attr rmsd > 6.920)) and bondedto(attr rmsd < 39.393 and attr rmsd > 38.393)) ( attr rmsd < 3.028 and attr rmsd > 2.928) 6 6 0 peak 1097 ppm1 6.970 ppm2 2.978 volume 0.1686 assi ((( attr rmsd < 6.936) and (attr rmsd > 6.836)) and bondedto(attr rmsd < 39.334 and attr rmsd > 38.334)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 1098 ppm1 6.886 ppm2 4.776 volume 3.0771 assi ((( attr rmsd < 7.596) and (attr rmsd > 7.496)) and bondedto(attr rmsd < 63.047 and attr rmsd > 62.047)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 11099 ppm1 7.546 ppm2 4.867 volume 0.2096 assi ((( attr rmsd < 7.596) and (attr rmsd > 7.496)) and bondedto(attr rmsd < 15.527 and attr rmsd > 14.527)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 21099 ppm1 7.546 ppm2 4.867 volume 0.2096 assi ((( attr rmsd < 7.668) and (attr rmsd > 7.568)) and bondedto(attr rmsd < 39.269 and attr rmsd > 38.269)) ( attr rmsd < 2.512 and attr rmsd > 2.412) 6 6 0 peak 1100 ppm1 7.618 ppm2 2.462 volume 0.2957 assi ((( attr rmsd < 7.652) and (attr rmsd > 7.552)) and bondedto(attr rmsd < 39.243 and attr rmsd > 38.243)) ( attr rmsd < 2.363 and attr rmsd > 2.263) 6 6 0 peak 1101 ppm1 7.602 ppm2 2.313 volume 0.2145 assi ((( attr rmsd < 7.003) and (attr rmsd > 6.903)) and bondedto(attr rmsd < 39.279 and attr rmsd > 38.279)) ( attr rmsd < 2.541 and attr rmsd > 2.441) 6 6 0 peak 1102 ppm1 6.953 ppm2 2.491 volume 0.1559 assi ((( attr rmsd < 6.992) and (attr rmsd > 6.892)) and bondedto(attr rmsd < 39.232 and attr rmsd > 38.232)) ( attr rmsd < 2.361 and attr rmsd > 2.261) 6 6 0 peak 1103 ppm1 6.942 ppm2 2.311 volume 0.1529 assi ((( attr rmsd < 8.201) and (attr rmsd > 8.101)) and bondedto(attr rmsd < 62.564 and attr rmsd > 61.564)) ( attr rmsd < 4.160 and attr rmsd > 4.060) 6 6 0 peak 11104 ppm1 8.151 ppm2 4.110 volume 0.2295 assi ((( attr rmsd < 8.201) and (attr rmsd > 8.101)) and bondedto(attr rmsd < 15.044 and attr rmsd > 14.044)) ( attr rmsd < 4.160 and attr rmsd > 4.060) 6 6 0 peak 21104 ppm1 8.151 ppm2 4.110 volume 0.2295 assi ((( attr rmsd < 8.964) and (attr rmsd > 8.864)) and bondedto(attr rmsd < 62.459 and attr rmsd > 61.459)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 11105 ppm1 8.914 ppm2 4.773 volume 0.1771 assi ((( attr rmsd < 8.964) and (attr rmsd > 8.864)) and bondedto(attr rmsd < 14.939 and attr rmsd > 13.939)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 21105 ppm1 8.914 ppm2 4.773 volume 0.1771 assi ((( attr rmsd < 7.788) and (attr rmsd > 7.688)) and bondedto(attr rmsd < 62.429 and attr rmsd > 61.429)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11106 ppm1 7.738 ppm2 4.774 volume 0.1477 assi ((( attr rmsd < 7.788) and (attr rmsd > 7.688)) and bondedto(attr rmsd < 14.909 and attr rmsd > 13.909)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21106 ppm1 7.738 ppm2 4.774 volume 0.1477 assi ((( attr rmsd < 7.017) and (attr rmsd > 6.917)) and bondedto(attr rmsd < 62.318 and attr rmsd > 61.318)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11107 ppm1 6.967 ppm2 4.775 volume 0.4763 assi ((( attr rmsd < 7.017) and (attr rmsd > 6.917)) and bondedto(attr rmsd < 14.798 and attr rmsd > 13.798)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21107 ppm1 6.967 ppm2 4.775 volume 0.4763 assi ((( attr rmsd < 7.712) and (attr rmsd > 7.612)) and bondedto(attr rmsd < 38.667 and attr rmsd > 37.667)) ( attr rmsd < 4.664 and attr rmsd > 4.564) 6 6 0 peak 1108 ppm1 7.662 ppm2 4.614 volume 0.2476 assi ((( attr rmsd < 7.711) and (attr rmsd > 7.611)) and bondedto(attr rmsd < 38.704 and attr rmsd > 37.704)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 1109 ppm1 7.661 ppm2 4.142 volume 0.3705 assi ((( attr rmsd < 7.712) and (attr rmsd > 7.612)) and bondedto(attr rmsd < 38.702 and attr rmsd > 37.702)) ( attr rmsd < 3.967 and attr rmsd > 3.867) 6 6 0 peak 1110 ppm1 7.662 ppm2 3.917 volume 0.9017 assi ((( attr rmsd < 7.712) and (attr rmsd > 7.612)) and bondedto(attr rmsd < 38.703 and attr rmsd > 37.703)) ( attr rmsd < 1.729 and attr rmsd > 1.629) 6 6 0 peak 1111 ppm1 7.662 ppm2 1.679 volume 0.1925 assi ((( attr rmsd < 7.708) and (attr rmsd > 7.608)) and bondedto(attr rmsd < 38.715 and attr rmsd > 37.715)) ( attr rmsd < 1.573 and attr rmsd > 1.473) 6 6 0 peak 1112 ppm1 7.658 ppm2 1.523 volume 0.1492 assi ((( attr rmsd < 7.708) and (attr rmsd > 7.608)) and bondedto(attr rmsd < 38.715 and attr rmsd > 37.715)) ( attr rmsd < 1.346 and attr rmsd > 1.246) 6 6 0 peak 1113 ppm1 7.658 ppm2 1.296 volume 0.2914 assi ((( attr rmsd < 7.708) and (attr rmsd > 7.608)) and bondedto(attr rmsd < 38.690 and attr rmsd > 37.690)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 1114 ppm1 7.658 ppm2 0.934 volume 0.1604 assi ((( attr rmsd < 8.308) and (attr rmsd > 8.208)) and bondedto(attr rmsd < 62.276 and attr rmsd > 61.276)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11115 ppm1 8.258 ppm2 4.775 volume 0.1700 assi ((( attr rmsd < 8.308) and (attr rmsd > 8.208)) and bondedto(attr rmsd < 14.756 and attr rmsd > 13.756)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21115 ppm1 8.258 ppm2 4.775 volume 0.1700 assi ((( attr rmsd < 7.666) and (attr rmsd > 7.566)) and bondedto(attr rmsd < 62.258 and attr rmsd > 61.258)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11116 ppm1 7.616 ppm2 4.774 volume 0.7127 assi ((( attr rmsd < 7.666) and (attr rmsd > 7.566)) and bondedto(attr rmsd < 14.738 and attr rmsd > 13.738)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21116 ppm1 7.616 ppm2 4.774 volume 0.7127 assi ((( attr rmsd < 7.603) and (attr rmsd > 7.503)) and bondedto(attr rmsd < 62.232 and attr rmsd > 61.232)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 11117 ppm1 7.553 ppm2 4.773 volume 0.5931 assi ((( attr rmsd < 7.603) and (attr rmsd > 7.503)) and bondedto(attr rmsd < 14.712 and attr rmsd > 13.712)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 21117 ppm1 7.553 ppm2 4.773 volume 0.5931 assi ((( attr rmsd < 7.109) and (attr rmsd > 7.009)) and bondedto(attr rmsd < 62.236 and attr rmsd > 61.236)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 11118 ppm1 7.059 ppm2 4.778 volume 0.3385 assi ((( attr rmsd < 7.109) and (attr rmsd > 7.009)) and bondedto(attr rmsd < 14.716 and attr rmsd > 13.716)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 21118 ppm1 7.059 ppm2 4.778 volume 0.3385 assi ((( attr rmsd < 6.937) and (attr rmsd > 6.837)) and bondedto(attr rmsd < 62.285 and attr rmsd > 61.285)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11119 ppm1 6.887 ppm2 4.775 volume 0.4604 assi ((( attr rmsd < 6.937) and (attr rmsd > 6.837)) and bondedto(attr rmsd < 14.765 and attr rmsd > 13.765)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21119 ppm1 6.887 ppm2 4.775 volume 0.4604 assi ((( attr rmsd < 8.959) and (attr rmsd > 8.859)) and bondedto(attr rmsd < 61.737 and attr rmsd > 60.737)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 11120 ppm1 8.909 ppm2 4.772 volume 0.1606 assi ((( attr rmsd < 8.959) and (attr rmsd > 8.859)) and bondedto(attr rmsd < 14.217 and attr rmsd > 13.217)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 21120 ppm1 8.909 ppm2 4.772 volume 0.1606 assi ((( attr rmsd < 7.785) and (attr rmsd > 7.685)) and bondedto(attr rmsd < 61.676 and attr rmsd > 60.676)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11121 ppm1 7.735 ppm2 4.775 volume 0.3378 assi ((( attr rmsd < 7.785) and (attr rmsd > 7.685)) and bondedto(attr rmsd < 14.156 and attr rmsd > 13.156)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21121 ppm1 7.735 ppm2 4.775 volume 0.3378 assi ((( attr rmsd < 8.260) and (attr rmsd > 8.160)) and bondedto(attr rmsd < 61.378 and attr rmsd > 60.378)) ( attr rmsd < 4.190 and attr rmsd > 4.090) 6 6 0 peak 11122 ppm1 8.210 ppm2 4.140 volume 0.2142 assi ((( attr rmsd < 8.260) and (attr rmsd > 8.160)) and bondedto(attr rmsd < 13.858 and attr rmsd > 12.858)) ( attr rmsd < 4.190 and attr rmsd > 4.090) 6 6 0 peak 21122 ppm1 8.210 ppm2 4.140 volume 0.2142 assi ((( attr rmsd < 7.663) and (attr rmsd > 7.563)) and bondedto(attr rmsd < 61.436 and attr rmsd > 60.436)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11123 ppm1 7.613 ppm2 4.776 volume 0.2255 assi ((( attr rmsd < 7.663) and (attr rmsd > 7.563)) and bondedto(attr rmsd < 13.916 and attr rmsd > 12.916)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21123 ppm1 7.613 ppm2 4.776 volume 0.2255 assi ((( attr rmsd < 7.604) and (attr rmsd > 7.504)) and bondedto(attr rmsd < 61.411 and attr rmsd > 60.411)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 11124 ppm1 7.554 ppm2 4.773 volume 0.2251 assi ((( attr rmsd < 7.604) and (attr rmsd > 7.504)) and bondedto(attr rmsd < 13.891 and attr rmsd > 12.891)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 21124 ppm1 7.554 ppm2 4.773 volume 0.2251 assi ((( attr rmsd < 7.029) and (attr rmsd > 6.929)) and bondedto(attr rmsd < 61.505 and attr rmsd > 60.505)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11125 ppm1 6.979 ppm2 4.776 volume 0.1567 assi ((( attr rmsd < 7.029) and (attr rmsd > 6.929)) and bondedto(attr rmsd < 13.985 and attr rmsd > 12.985)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21125 ppm1 6.979 ppm2 4.776 volume 0.1567 assi ((( attr rmsd < 6.932) and (attr rmsd > 6.832)) and bondedto(attr rmsd < 61.455 and attr rmsd > 60.455)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11126 ppm1 6.882 ppm2 4.777 volume 0.1947 assi ((( attr rmsd < 6.932) and (attr rmsd > 6.832)) and bondedto(attr rmsd < 13.935 and attr rmsd > 12.935)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21126 ppm1 6.882 ppm2 4.777 volume 0.1947 assi ((( attr rmsd < 7.776) and (attr rmsd > 7.676)) and bondedto(attr rmsd < 61.215 and attr rmsd > 60.215)) ( attr rmsd < 4.471 and attr rmsd > 4.371) 6 6 0 peak 11127 ppm1 7.726 ppm2 4.421 volume 0.1482 assi ((( attr rmsd < 7.776) and (attr rmsd > 7.676)) and bondedto(attr rmsd < 13.695 and attr rmsd > 12.695)) ( attr rmsd < 4.471 and attr rmsd > 4.371) 6 6 0 peak 21127 ppm1 7.726 ppm2 4.421 volume 0.1482 assi ((( attr rmsd < 6.990) and (attr rmsd > 6.890)) and bondedto(attr rmsd < 37.429 and attr rmsd > 36.429)) ( attr rmsd < 2.791 and attr rmsd > 2.691) 6 6 0 peak 1128 ppm1 6.940 ppm2 2.741 volume 0.1467 assi ((( attr rmsd < 6.991) and (attr rmsd > 6.891)) and bondedto(attr rmsd < 37.425 and attr rmsd > 36.425)) ( attr rmsd < 2.630 and attr rmsd > 2.530) 6 6 0 peak 1129 ppm1 6.941 ppm2 2.580 volume 0.1706 assi ((( attr rmsd < 7.308) and (attr rmsd > 7.208)) and bondedto(attr rmsd < 37.377 and attr rmsd > 36.377)) ( attr rmsd < 4.669 and attr rmsd > 4.569) 6 6 0 peak 1130 ppm1 7.258 ppm2 4.619 volume 0.2412 assi ((( attr rmsd < 7.310) and (attr rmsd > 7.210)) and bondedto(attr rmsd < 37.323 and attr rmsd > 36.323)) ( attr rmsd < 4.200 and attr rmsd > 4.100) 6 6 0 peak 1131 ppm1 7.260 ppm2 4.150 volume 0.2514 assi ((( attr rmsd < 7.313) and (attr rmsd > 7.213)) and bondedto(attr rmsd < 37.312 and attr rmsd > 36.312)) ( attr rmsd < 3.849 and attr rmsd > 3.749) 6 6 0 peak 1132 ppm1 7.263 ppm2 3.799 volume 0.1482 assi ((( attr rmsd < 7.311) and (attr rmsd > 7.211)) and bondedto(attr rmsd < 37.311 and attr rmsd > 36.311)) ( attr rmsd < 1.730 and attr rmsd > 1.630) 6 6 0 peak 1133 ppm1 7.261 ppm2 1.680 volume 0.5467 assi ((( attr rmsd < 7.310) and (attr rmsd > 7.210)) and bondedto(attr rmsd < 37.293 and attr rmsd > 36.293)) ( attr rmsd < 1.583 and attr rmsd > 1.483) 6 6 0 peak 1134 ppm1 7.260 ppm2 1.533 volume 0.4824 assi ((( attr rmsd < 7.314) and (attr rmsd > 7.214)) and bondedto(attr rmsd < 37.316 and attr rmsd > 36.316)) ( attr rmsd < 1.357 and attr rmsd > 1.257) 6 6 0 peak 1135 ppm1 7.264 ppm2 1.307 volume 0.3666 assi ((( attr rmsd < 7.312) and (attr rmsd > 7.212)) and bondedto(attr rmsd < 37.347 and attr rmsd > 36.347)) ( attr rmsd < 0.744 and attr rmsd > 0.644) 6 6 0 peak 1136 ppm1 7.262 ppm2 0.694 volume 0.2290 assi ((( attr rmsd < 7.307) and (attr rmsd > 7.207)) and bondedto(attr rmsd < 37.390 and attr rmsd > 36.390)) ( attr rmsd < 2.318 and attr rmsd > 2.218) 6 6 0 peak 1137 ppm1 7.257 ppm2 2.268 volume 0.1552 assi ((( attr rmsd < 7.305) and (attr rmsd > 7.205)) and bondedto(attr rmsd < 37.320 and attr rmsd > 36.320)) ( attr rmsd < 0.988 and attr rmsd > 0.888) 6 6 0 peak 1138 ppm1 7.255 ppm2 0.938 volume 0.5004 assi ((( attr rmsd < 6.986) and (attr rmsd > 6.886)) and bondedto(attr rmsd < 37.313 and attr rmsd > 36.313)) ( attr rmsd < 0.913 and attr rmsd > 0.813) 6 6 0 peak 1139 ppm1 6.936 ppm2 0.863 volume 0.4272 assi ((( attr rmsd < 7.781) and (attr rmsd > 7.681)) and bondedto(attr rmsd < 37.089 and attr rmsd > 36.089)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 1140 ppm1 7.731 ppm2 4.776 volume 2.6428 assi ((( attr rmsd < 6.906) and (attr rmsd > 6.806)) and bondedto(attr rmsd < 60.698 and attr rmsd > 59.698)) ( attr rmsd < 4.118 and attr rmsd > 4.018) 6 6 0 peak 11141 ppm1 6.856 ppm2 4.068 volume 0.1870 assi ((( attr rmsd < 6.906) and (attr rmsd > 6.806)) and bondedto(attr rmsd < 13.178 and attr rmsd > 12.178)) ( attr rmsd < 4.118 and attr rmsd > 4.018) 6 6 0 peak 21141 ppm1 6.856 ppm2 4.068 volume 0.1870 assi ((( attr rmsd < 7.309) and (attr rmsd > 7.209)) and bondedto(attr rmsd < 60.349 and attr rmsd > 59.349)) ( attr rmsd < 4.672 and attr rmsd > 4.572) 6 6 0 peak 11142 ppm1 7.259 ppm2 4.622 volume 0.1766 assi ((( attr rmsd < 7.309) and (attr rmsd > 7.209)) and bondedto(attr rmsd < 12.829 and attr rmsd > 11.829)) ( attr rmsd < 4.672 and attr rmsd > 4.572) 6 6 0 peak 21142 ppm1 7.259 ppm2 4.622 volume 0.1766 assi ((( attr rmsd < 6.908) and (attr rmsd > 6.808)) and bondedto(attr rmsd < 35.989 and attr rmsd > 34.989)) ( attr rmsd < 5.004 and attr rmsd > 4.904) 6 6 0 peak 1143 ppm1 6.858 ppm2 4.954 volume 0.1700 assi ((( attr rmsd < 6.905) and (attr rmsd > 6.805)) and bondedto(attr rmsd < 35.982 and attr rmsd > 34.982)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 1144 ppm1 6.855 ppm2 4.773 volume 0.6749 assi ((( attr rmsd < 6.906) and (attr rmsd > 6.806)) and bondedto(attr rmsd < 35.970 and attr rmsd > 34.970)) ( attr rmsd < 4.116 and attr rmsd > 4.016) 6 6 0 peak 1145 ppm1 6.856 ppm2 4.066 volume 0.4170 assi ((( attr rmsd < 6.907) and (attr rmsd > 6.807)) and bondedto(attr rmsd < 35.965 and attr rmsd > 34.965)) ( attr rmsd < 3.567 and attr rmsd > 3.467) 6 6 0 peak 1146 ppm1 6.857 ppm2 3.517 volume 0.1728 assi ((( attr rmsd < 6.908) and (attr rmsd > 6.808)) and bondedto(attr rmsd < 35.973 and attr rmsd > 34.973)) ( attr rmsd < 2.062 and attr rmsd > 1.962) 6 6 0 peak 1147 ppm1 6.858 ppm2 2.012 volume 0.4196 assi ((( attr rmsd < 6.906) and (attr rmsd > 6.806)) and bondedto(attr rmsd < 35.986 and attr rmsd > 34.986)) ( attr rmsd < 1.780 and attr rmsd > 1.680) 6 6 0 peak 1148 ppm1 6.856 ppm2 1.730 volume 0.4523 assi ((( attr rmsd < 6.909) and (attr rmsd > 6.809)) and bondedto(attr rmsd < 35.994 and attr rmsd > 34.994)) ( attr rmsd < 1.282 and attr rmsd > 1.182) 6 6 0 peak 1149 ppm1 6.859 ppm2 1.232 volume 0.7778 assi ((( attr rmsd < 8.252) and (attr rmsd > 8.152)) and bondedto(attr rmsd < 56.892 and attr rmsd > 55.892)) ( attr rmsd < 4.697 and attr rmsd > 4.597) 6 6 0 peak 11150 ppm1 8.202 ppm2 4.647 volume 0.1632 assi ((( attr rmsd < 8.252) and (attr rmsd > 8.152)) and bondedto(attr rmsd < 9.372 and attr rmsd > 8.372)) ( attr rmsd < 4.697 and attr rmsd > 4.597) 6 6 0 peak 21150 ppm1 8.202 ppm2 4.647 volume 0.1632 assi ((( attr rmsd < 8.444) and (attr rmsd > 8.344)) and bondedto(attr rmsd < 56.349 and attr rmsd > 55.349)) ( attr rmsd < 4.395 and attr rmsd > 4.295) 6 6 0 peak 11151 ppm1 8.394 ppm2 4.345 volume 0.1499 assi ((( attr rmsd < 8.444) and (attr rmsd > 8.344)) and bondedto(attr rmsd < 8.829 and attr rmsd > 7.829)) ( attr rmsd < 4.395 and attr rmsd > 4.295) 6 6 0 peak 21151 ppm1 8.394 ppm2 4.345 volume 0.1499 assi ((( attr rmsd < 5.171) and (attr rmsd > 5.071)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 5.130 and attr rmsd > 5.030) 6 6 0 peak 11152 ppm1 5.121 ppm2 5.080 volume 0.9669 assi ((( attr rmsd < 5.171) and (attr rmsd > 5.071)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 5.130 and attr rmsd > 5.030) 6 6 0 peak 21152 ppm1 5.121 ppm2 5.080 volume 0.9669 assi ((( attr rmsd < 4.961) and (attr rmsd > 4.861)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.939 and attr rmsd > 4.839) 6 6 0 peak 11153 ppm1 4.911 ppm2 4.889 volume 2.8350 assi ((( attr rmsd < 4.961) and (attr rmsd > 4.861)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.939 and attr rmsd > 4.839) 6 6 0 peak 21153 ppm1 4.911 ppm2 4.889 volume 2.8350 assi ((( attr rmsd < 4.916) and (attr rmsd > 4.816)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.902 and attr rmsd > 4.802) 6 6 0 peak 11154 ppm1 4.866 ppm2 4.852 volume 5.1423 assi ((( attr rmsd < 4.916) and (attr rmsd > 4.816)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.902 and attr rmsd > 4.802) 6 6 0 peak 21154 ppm1 4.866 ppm2 4.852 volume 5.1423 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 5.083 and attr rmsd > 4.983) 6 6 0 peak 11155 ppm1 4.848 ppm2 5.033 volume 0.3484 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 5.083 and attr rmsd > 4.983) 6 6 0 peak 21155 ppm1 4.848 ppm2 5.033 volume 0.3484 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.777 and attr rmsd > 4.677) 6 6 0 peak 11156 ppm1 4.847 ppm2 4.727 volume 5.4370 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.777 and attr rmsd > 4.677) 6 6 0 peak 21156 ppm1 4.847 ppm2 4.727 volume 5.4370 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 11157 ppm1 4.838 ppm2 3.595 volume 0.2871 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 21157 ppm1 4.838 ppm2 3.595 volume 0.2871 assi ((( attr rmsd < 4.869) and (attr rmsd > 4.769)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.983 and attr rmsd > 4.883) 6 6 0 peak 11158 ppm1 4.819 ppm2 4.933 volume 0.6246 assi ((( attr rmsd < 4.869) and (attr rmsd > 4.769)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.983 and attr rmsd > 4.883) 6 6 0 peak 21158 ppm1 4.819 ppm2 4.933 volume 0.6246 assi ((( attr rmsd < 4.795) and (attr rmsd > 4.695)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 11159 ppm1 4.745 ppm2 4.867 volume 0.3583 assi ((( attr rmsd < 4.795) and (attr rmsd > 4.695)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 21159 ppm1 4.745 ppm2 4.867 volume 0.3583 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 11160 ppm1 4.707 ppm2 3.598 volume 0.3960 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 21160 ppm1 4.707 ppm2 3.598 volume 0.3960 assi ((( attr rmsd < 4.744) and (attr rmsd > 4.644)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.700 and attr rmsd > 4.600) 6 6 0 peak 11161 ppm1 4.694 ppm2 4.650 volume 6.6642 assi ((( attr rmsd < 4.744) and (attr rmsd > 4.644)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.700 and attr rmsd > 4.600) 6 6 0 peak 21161 ppm1 4.694 ppm2 4.650 volume 6.6642 assi ((( attr rmsd < 4.729) and (attr rmsd > 4.629)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.938 and attr rmsd > 4.838) 6 6 0 peak 11162 ppm1 4.679 ppm2 4.888 volume 1.2014 assi ((( attr rmsd < 4.729) and (attr rmsd > 4.629)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.938 and attr rmsd > 4.838) 6 6 0 peak 21162 ppm1 4.679 ppm2 4.888 volume 1.2014 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.522 and attr rmsd > 4.422) 6 6 0 peak 11163 ppm1 4.676 ppm2 4.472 volume 1.1718 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.522 and attr rmsd > 4.422) 6 6 0 peak 21163 ppm1 4.676 ppm2 4.472 volume 1.1718 assi ((( attr rmsd < 4.697) and (attr rmsd > 4.597)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.528 and attr rmsd > 4.428) 6 6 0 peak 11164 ppm1 4.647 ppm2 4.478 volume 1.1164 assi ((( attr rmsd < 4.697) and (attr rmsd > 4.597)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.528 and attr rmsd > 4.428) 6 6 0 peak 21164 ppm1 4.647 ppm2 4.478 volume 1.1164 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.782 and attr rmsd > 4.682) 6 6 0 peak 11165 ppm1 4.614 ppm2 4.732 volume 2.7191 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.782 and attr rmsd > 4.682) 6 6 0 peak 21165 ppm1 4.614 ppm2 4.732 volume 2.7191 assi ((( attr rmsd < 4.623) and (attr rmsd > 4.523)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.527 and attr rmsd > 4.427) 6 6 0 peak 11166 ppm1 4.573 ppm2 4.477 volume 0.6892 assi ((( attr rmsd < 4.623) and (attr rmsd > 4.523)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.527 and attr rmsd > 4.427) 6 6 0 peak 21166 ppm1 4.573 ppm2 4.477 volume 0.6892 assi ((( attr rmsd < 4.526) and (attr rmsd > 4.426)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.419 and attr rmsd > 4.319) 6 6 0 peak 11167 ppm1 4.476 ppm2 4.369 volume 1.4758 assi ((( attr rmsd < 4.526) and (attr rmsd > 4.426)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.419 and attr rmsd > 4.319) 6 6 0 peak 21167 ppm1 4.476 ppm2 4.369 volume 1.4758 assi ((( attr rmsd < 3.959) and (attr rmsd > 3.859)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.961 and attr rmsd > 3.861) 6 6 0 peak 11168 ppm1 3.909 ppm2 3.911 volume 0.3891 assi ((( attr rmsd < 3.959) and (attr rmsd > 3.859)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.961 and attr rmsd > 3.861) 6 6 0 peak 21168 ppm1 3.909 ppm2 3.911 volume 0.3891 assi ((( attr rmsd < 3.859) and (attr rmsd > 3.759)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.869 and attr rmsd > 3.769) 6 6 0 peak 11169 ppm1 3.809 ppm2 3.819 volume 1.2159 assi ((( attr rmsd < 3.859) and (attr rmsd > 3.759)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.869 and attr rmsd > 3.769) 6 6 0 peak 21169 ppm1 3.809 ppm2 3.819 volume 1.2159 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 11170 ppm1 3.812 ppm2 3.595 volume 2.4542 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 21170 ppm1 3.812 ppm2 3.595 volume 2.4542 assi ((( attr rmsd < 3.828) and (attr rmsd > 3.728)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.731 and attr rmsd > 3.631) 6 6 0 peak 11171 ppm1 3.778 ppm2 3.681 volume 0.9897 assi ((( attr rmsd < 3.828) and (attr rmsd > 3.728)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.731 and attr rmsd > 3.631) 6 6 0 peak 21171 ppm1 3.778 ppm2 3.681 volume 0.9897 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.649 and attr rmsd > 3.549) 6 6 0 peak 11172 ppm1 3.677 ppm2 3.599 volume 9.0410 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.649 and attr rmsd > 3.549) 6 6 0 peak 21172 ppm1 3.677 ppm2 3.599 volume 9.0410 assi ((( attr rmsd < 3.668) and (attr rmsd > 3.568)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.636 and attr rmsd > 3.536) 6 6 0 peak 11173 ppm1 3.618 ppm2 3.586 volume 2.9280 assi ((( attr rmsd < 3.668) and (attr rmsd > 3.568)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.636 and attr rmsd > 3.536) 6 6 0 peak 21173 ppm1 3.618 ppm2 3.586 volume 2.9280 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.722 and attr rmsd > 3.622) 6 6 0 peak 11174 ppm1 3.582 ppm2 3.672 volume 0.7898 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.722 and attr rmsd > 3.622) 6 6 0 peak 21174 ppm1 3.582 ppm2 3.672 volume 0.7898 assi ((( attr rmsd < 3.597) and (attr rmsd > 3.497)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.635 and attr rmsd > 3.535) 6 6 0 peak 11175 ppm1 3.547 ppm2 3.585 volume 1.4834 assi ((( attr rmsd < 3.597) and (attr rmsd > 3.497)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.635 and attr rmsd > 3.535) 6 6 0 peak 21175 ppm1 3.547 ppm2 3.585 volume 1.4834 assi ((( attr rmsd < 3.018) and (attr rmsd > 2.918)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.030 and attr rmsd > 2.930) 6 6 0 peak 11176 ppm1 2.968 ppm2 2.980 volume 0.6454 assi ((( attr rmsd < 3.018) and (attr rmsd > 2.918)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.030 and attr rmsd > 2.930) 6 6 0 peak 21176 ppm1 2.968 ppm2 2.980 volume 0.6454 assi ((( attr rmsd < 2.959) and (attr rmsd > 2.859)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.952 and attr rmsd > 2.852) 6 6 0 peak 11177 ppm1 2.909 ppm2 2.902 volume 0.2346 assi ((( attr rmsd < 2.959) and (attr rmsd > 2.859)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.952 and attr rmsd > 2.852) 6 6 0 peak 21177 ppm1 2.909 ppm2 2.902 volume 0.2346 assi ((( attr rmsd < 2.633) and (attr rmsd > 2.533)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.635 and attr rmsd > 2.535) 6 6 0 peak 11178 ppm1 2.583 ppm2 2.585 volume 1.2264 assi ((( attr rmsd < 2.633) and (attr rmsd > 2.533)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.635 and attr rmsd > 2.535) 6 6 0 peak 21178 ppm1 2.583 ppm2 2.585 volume 1.2264 assi ((( attr rmsd < 2.526) and (attr rmsd > 2.426)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 11179 ppm1 2.476 ppm2 4.620 volume 0.8136 assi ((( attr rmsd < 2.526) and (attr rmsd > 2.426)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 21179 ppm1 2.476 ppm2 4.620 volume 0.8136 assi ((( attr rmsd < 2.526) and (attr rmsd > 2.426)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.188 and attr rmsd > 2.088) 6 6 0 peak 11180 ppm1 2.476 ppm2 2.138 volume 0.5389 assi ((( attr rmsd < 2.526) and (attr rmsd > 2.426)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.188 and attr rmsd > 2.088) 6 6 0 peak 21180 ppm1 2.476 ppm2 2.138 volume 0.5389 assi ((( attr rmsd < 2.528) and (attr rmsd > 2.428)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 1.834 and attr rmsd > 1.734) 6 6 0 peak 11181 ppm1 2.478 ppm2 1.784 volume 1.1017 assi ((( attr rmsd < 2.528) and (attr rmsd > 2.428)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 1.834 and attr rmsd > 1.734) 6 6 0 peak 21181 ppm1 2.478 ppm2 1.784 volume 1.1017 assi ((( attr rmsd < 2.518) and (attr rmsd > 2.418)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.515 and attr rmsd > 2.415) 6 6 0 peak 11182 ppm1 2.468 ppm2 2.465 volume 1.2236 assi ((( attr rmsd < 2.518) and (attr rmsd > 2.418)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.515 and attr rmsd > 2.415) 6 6 0 peak 21182 ppm1 2.468 ppm2 2.465 volume 1.2236 assi ((( attr rmsd < 2.363) and (attr rmsd > 2.263)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.083 and attr rmsd > 1.983) 6 6 0 peak 11183 ppm1 2.313 ppm2 2.033 volume 0.2101 assi ((( attr rmsd < 2.363) and (attr rmsd > 2.263)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.083 and attr rmsd > 1.983) 6 6 0 peak 21183 ppm1 2.313 ppm2 2.033 volume 0.2101 assi ((( attr rmsd < 1.826) and (attr rmsd > 1.726)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 11184 ppm1 1.776 ppm2 4.621 volume 0.5518 assi ((( attr rmsd < 1.826) and (attr rmsd > 1.726)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 21184 ppm1 1.776 ppm2 4.621 volume 0.5518 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.911 and attr rmsd > 3.811) 6 6 0 peak 11185 ppm1 1.777 ppm2 3.861 volume 0.2580 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.911 and attr rmsd > 3.811) 6 6 0 peak 21185 ppm1 1.777 ppm2 3.861 volume 0.2580 assi ((( attr rmsd < 1.833) and (attr rmsd > 1.733)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.282 and attr rmsd > 3.182) 6 6 0 peak 11186 ppm1 1.783 ppm2 3.232 volume 0.1757 assi ((( attr rmsd < 1.833) and (attr rmsd > 1.733)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.282 and attr rmsd > 3.182) 6 6 0 peak 21186 ppm1 1.783 ppm2 3.232 volume 0.1757 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.532 and attr rmsd > 2.432) 6 6 0 peak 11187 ppm1 1.777 ppm2 2.482 volume 1.0245 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.532 and attr rmsd > 2.432) 6 6 0 peak 21187 ppm1 1.777 ppm2 2.482 volume 1.0245 assi ((( attr rmsd < 1.830) and (attr rmsd > 1.730)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.197 and attr rmsd > 2.097) 6 6 0 peak 11188 ppm1 1.780 ppm2 2.147 volume 0.5920 assi ((( attr rmsd < 1.830) and (attr rmsd > 1.730)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.197 and attr rmsd > 2.097) 6 6 0 peak 21188 ppm1 1.780 ppm2 2.147 volume 0.5920 assi ((( attr rmsd < 1.804) and (attr rmsd > 1.704)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.613 and attr rmsd > 3.513) 6 6 0 peak 11189 ppm1 1.754 ppm2 3.563 volume 0.2707 assi ((( attr rmsd < 1.804) and (attr rmsd > 1.704)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.613 and attr rmsd > 3.513) 6 6 0 peak 21189 ppm1 1.754 ppm2 3.563 volume 0.2707 assi ((( attr rmsd < 1.797) and (attr rmsd > 1.697)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 0.833 and attr rmsd > 0.733) 6 6 0 peak 11190 ppm1 1.747 ppm2 0.783 volume 0.8204 assi ((( attr rmsd < 1.797) and (attr rmsd > 1.697)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 0.833 and attr rmsd > 0.733) 6 6 0 peak 21190 ppm1 1.747 ppm2 0.783 volume 0.8204 assi ((( attr rmsd < 1.790) and (attr rmsd > 1.690)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 0.424 and attr rmsd > 0.324) 6 6 0 peak 11191 ppm1 1.740 ppm2 0.374 volume 0.3951 assi ((( attr rmsd < 1.790) and (attr rmsd > 1.690)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 0.424 and attr rmsd > 0.324) 6 6 0 peak 21191 ppm1 1.740 ppm2 0.374 volume 0.3951 assi ((( attr rmsd < 1.618) and (attr rmsd > 1.518)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.437 and attr rmsd > 4.337) 6 6 0 peak 11192 ppm1 1.568 ppm2 4.387 volume 0.1671 assi ((( attr rmsd < 1.618) and (attr rmsd > 1.518)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.437 and attr rmsd > 4.337) 6 6 0 peak 21192 ppm1 1.568 ppm2 4.387 volume 0.1671 assi ((( attr rmsd < 5.461) and (attr rmsd > 5.361)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.981 and attr rmsd > 2.881) 6 6 0 peak 1193 ppm1 5.411 ppm2 2.931 volume 0.2267 assi ((( attr rmsd < 5.465) and (attr rmsd > 5.365)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.749 and attr rmsd > 2.649) 6 6 0 peak 1194 ppm1 5.415 ppm2 2.699 volume 0.2639 assi ((( attr rmsd < 5.466) and (attr rmsd > 5.366)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.981 and attr rmsd > 0.881) 6 6 0 peak 1195 ppm1 5.416 ppm2 0.931 volume 0.2210 assi ((( attr rmsd < 5.463) and (attr rmsd > 5.363)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.783 and attr rmsd > 0.683) 6 6 0 peak 1196 ppm1 5.413 ppm2 0.733 volume 0.2620 assi ((( attr rmsd < 5.068) and (attr rmsd > 4.968)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.098 and attr rmsd > 4.998) 6 6 0 peak 1197 ppm1 5.018 ppm2 5.048 volume 1.9798 assi ((( attr rmsd < 5.072) and (attr rmsd > 4.972)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.851 and attr rmsd > 1.751) 6 6 0 peak 1198 ppm1 5.022 ppm2 1.801 volume 0.4404 assi ((( attr rmsd < 5.072) and (attr rmsd > 4.972)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.705 and attr rmsd > 1.605) 6 6 0 peak 1199 ppm1 5.022 ppm2 1.655 volume 0.3197 assi ((( attr rmsd < 5.072) and (attr rmsd > 4.972)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.420 and attr rmsd > 1.320) 6 6 0 peak 1200 ppm1 5.022 ppm2 1.370 volume 0.2795 assi ((( attr rmsd < 5.065) and (attr rmsd > 4.965)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.939 and attr rmsd > 0.839) 6 6 0 peak 1201 ppm1 5.015 ppm2 0.889 volume 0.1702 assi ((( attr rmsd < 4.998) and (attr rmsd > 4.898)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.062 and attr rmsd > 4.962) 6 6 0 peak 1202 ppm1 4.948 ppm2 5.012 volume 0.8700 assi ((( attr rmsd < 4.987) and (attr rmsd > 4.887)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.517 and attr rmsd > 4.417) 6 6 0 peak 1203 ppm1 4.937 ppm2 4.467 volume 0.8359 assi ((( attr rmsd < 4.991) and (attr rmsd > 4.891)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.939 and attr rmsd > 0.839) 6 6 0 peak 1204 ppm1 4.941 ppm2 0.889 volume 0.2488 assi ((( attr rmsd < 4.973) and (attr rmsd > 4.873)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.608 and attr rmsd > 1.508) 6 6 0 peak 1205 ppm1 4.923 ppm2 1.558 volume 0.2034 assi ((( attr rmsd < 4.956) and (attr rmsd > 4.856)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.025 and attr rmsd > 4.925) 6 6 0 peak 1206 ppm1 4.906 ppm2 4.975 volume 1.3541 assi ((( attr rmsd < 4.962) and (attr rmsd > 4.862)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.753 and attr rmsd > 4.653) 6 6 0 peak 1207 ppm1 4.912 ppm2 4.703 volume 3.2973 assi ((( attr rmsd < 4.950) and (attr rmsd > 4.850)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.849 and attr rmsd > 4.749) 6 6 0 peak 1208 ppm1 4.900 ppm2 4.799 volume 2.1787 assi ((( attr rmsd < 4.942) and (attr rmsd > 4.842)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.515 and attr rmsd > 4.415) 6 6 0 peak 1209 ppm1 4.892 ppm2 4.465 volume 1.1783 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.278 and attr rmsd > 4.178) 6 6 0 peak 1210 ppm1 4.893 ppm2 4.228 volume 0.2726 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.945 and attr rmsd > 0.845) 6 6 0 peak 1211 ppm1 4.893 ppm2 0.895 volume 0.3117 assi ((( attr rmsd < 4.917) and (attr rmsd > 4.817)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 1212 ppm1 4.867 ppm2 4.934 volume 2.1449 assi ((( attr rmsd < 4.922) and (attr rmsd > 4.822)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.733 and attr rmsd > 4.633) 6 6 0 peak 1213 ppm1 4.872 ppm2 4.683 volume 3.2462 assi ((( attr rmsd < 4.910) and (attr rmsd > 4.810)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.600 and attr rmsd > 1.500) 6 6 0 peak 1214 ppm1 4.860 ppm2 1.550 volume 0.2652 assi ((( attr rmsd < 4.913) and (attr rmsd > 4.813)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 1215 ppm1 4.863 ppm2 0.893 volume 0.3844 assi ((( attr rmsd < 4.908) and (attr rmsd > 4.808)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.506 and attr rmsd > 4.406) 6 6 0 peak 1216 ppm1 4.858 ppm2 4.456 volume 1.5187 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.267 and attr rmsd > 4.167) 6 6 0 peak 1217 ppm1 4.852 ppm2 4.217 volume 0.4287 assi ((( attr rmsd < 4.876) and (attr rmsd > 4.776)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 1218 ppm1 4.826 ppm2 4.777 volume 3.2111 assi ((( attr rmsd < 4.836) and (attr rmsd > 4.736)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.443 and attr rmsd > 4.343) 6 6 0 peak 1219 ppm1 4.786 ppm2 4.393 volume 0.4161 assi ((( attr rmsd < 4.824) and (attr rmsd > 4.724)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 1220 ppm1 4.774 ppm2 4.778 volume 2.5597 assi ((( attr rmsd < 4.787) and (attr rmsd > 4.687)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.707 and attr rmsd > 4.607) 6 6 0 peak 1221 ppm1 4.737 ppm2 4.657 volume 0.8506 assi ((( attr rmsd < 4.777) and (attr rmsd > 4.677)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.509 and attr rmsd > 4.409) 6 6 0 peak 1222 ppm1 4.727 ppm2 4.459 volume 1.0205 assi ((( attr rmsd < 4.779) and (attr rmsd > 4.679)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.593 and attr rmsd > 1.493) 6 6 0 peak 1223 ppm1 4.729 ppm2 1.543 volume 0.1557 assi ((( attr rmsd < 4.782) and (attr rmsd > 4.682)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.929 and attr rmsd > 0.829) 6 6 0 peak 1224 ppm1 4.732 ppm2 0.879 volume 0.2060 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.273 and attr rmsd > 4.173) 6 6 0 peak 1225 ppm1 4.715 ppm2 4.223 volume 0.3207 assi ((( attr rmsd < 4.738) and (attr rmsd > 4.638)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.785 and attr rmsd > 4.685) 6 6 0 peak 1226 ppm1 4.688 ppm2 4.735 volume 12.0951 assi ((( attr rmsd < 4.733) and (attr rmsd > 4.633)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.472 and attr rmsd > 5.372) 6 6 0 peak 1227 ppm1 4.683 ppm2 5.422 volume 0.1835 assi ((( attr rmsd < 4.723) and (attr rmsd > 4.623)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.090 and attr rmsd > 4.990) 6 6 0 peak 1228 ppm1 4.673 ppm2 5.040 volume 0.3367 assi ((( attr rmsd < 4.728) and (attr rmsd > 4.628)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.490 and attr rmsd > 1.390) 6 6 0 peak 1229 ppm1 4.678 ppm2 1.440 volume 0.1865 assi ((( attr rmsd < 4.725) and (attr rmsd > 4.625)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.418 and attr rmsd > 1.318) 6 6 0 peak 1230 ppm1 4.675 ppm2 1.368 volume 0.1781 assi ((( attr rmsd < 4.723) and (attr rmsd > 4.623)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.098 and attr rmsd > 0.998) 6 6 0 peak 1231 ppm1 4.673 ppm2 1.048 volume 0.1604 assi ((( attr rmsd < 4.721) and (attr rmsd > 4.621)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.802 and attr rmsd > 0.702) 6 6 0 peak 1232 ppm1 4.671 ppm2 0.752 volume 0.2710 assi ((( attr rmsd < 4.708) and (attr rmsd > 4.608)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.856 and attr rmsd > 4.756) 6 6 0 peak 1233 ppm1 4.658 ppm2 4.806 volume 2.1031 assi ((( attr rmsd < 4.705) and (attr rmsd > 4.605)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.970 and attr rmsd > 0.870) 6 6 0 peak 1234 ppm1 4.655 ppm2 0.920 volume 0.1458 assi ((( attr rmsd < 4.694) and (attr rmsd > 4.594)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.450 and attr rmsd > 5.350) 6 6 0 peak 1235 ppm1 4.644 ppm2 5.400 volume 0.1659 assi ((( attr rmsd < 4.689) and (attr rmsd > 4.589)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.072 and attr rmsd > 4.972) 6 6 0 peak 1236 ppm1 4.639 ppm2 5.022 volume 0.3163 assi ((( attr rmsd < 4.692) and (attr rmsd > 4.592)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.501 and attr rmsd > 2.401) 6 6 0 peak 1237 ppm1 4.642 ppm2 2.451 volume 0.3310 assi ((( attr rmsd < 4.687) and (attr rmsd > 4.587)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.953 and attr rmsd > 2.853) 6 6 0 peak 1238 ppm1 4.637 ppm2 2.903 volume 0.2424 assi ((( attr rmsd < 4.667) and (attr rmsd > 4.567)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.846 and attr rmsd > 4.746) 6 6 0 peak 1239 ppm1 4.617 ppm2 4.796 volume 1.7905 assi ((( attr rmsd < 4.608) and (attr rmsd > 4.508)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.074 and attr rmsd > 4.974) 6 6 0 peak 1240 ppm1 4.558 ppm2 5.024 volume 0.1776 assi ((( attr rmsd < 4.533) and (attr rmsd > 4.433)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.939 and attr rmsd > 1.839) 6 6 0 peak 1241 ppm1 4.483 ppm2 1.889 volume 0.3944 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.066 and attr rmsd > 4.966) 6 6 0 peak 1242 ppm1 4.480 ppm2 5.016 volume 0.1929 assi ((( attr rmsd < 4.528) and (attr rmsd > 4.428)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.531 and attr rmsd > 4.431) 6 6 0 peak 1243 ppm1 4.478 ppm2 4.481 volume 11.2711 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.086 and attr rmsd > 1.986) 6 6 0 peak 1244 ppm1 4.480 ppm2 2.036 volume 0.2553 assi ((( attr rmsd < 4.483) and (attr rmsd > 4.383)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.065 and attr rmsd > 4.965) 6 6 0 peak 1245 ppm1 4.433 ppm2 5.015 volume 0.1856 assi ((( attr rmsd < 4.421) and (attr rmsd > 4.321)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.423 and attr rmsd > 4.323) 6 6 0 peak 1246 ppm1 4.371 ppm2 4.373 volume 10.6358 assi ((( attr rmsd < 4.421) and (attr rmsd > 4.321)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.674 and attr rmsd > 1.574) 6 6 0 peak 1247 ppm1 4.371 ppm2 1.624 volume 0.4392 assi ((( attr rmsd < 4.415) and (attr rmsd > 4.315)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.583 and attr rmsd > 1.483) 6 6 0 peak 1248 ppm1 4.365 ppm2 1.533 volume 0.3170 assi ((( attr rmsd < 4.421) and (attr rmsd > 4.321)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.934 and attr rmsd > 0.834) 6 6 0 peak 1249 ppm1 4.371 ppm2 0.884 volume 0.6844 assi ((( attr rmsd < 4.325) and (attr rmsd > 4.225)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.095 and attr rmsd > 2.995) 6 6 0 peak 1250 ppm1 4.275 ppm2 3.045 volume 0.3050 assi ((( attr rmsd < 4.325) and (attr rmsd > 4.225)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.583 and attr rmsd > 2.483) 6 6 0 peak 1251 ppm1 4.275 ppm2 2.533 volume 0.4260 assi ((( attr rmsd < 4.305) and (attr rmsd > 4.205)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.307 and attr rmsd > 4.207) 6 6 0 peak 1252 ppm1 4.255 ppm2 4.257 volume 3.9970 assi ((( attr rmsd < 4.279) and (attr rmsd > 4.179)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.280 and attr rmsd > 4.180) 6 6 0 peak 1253 ppm1 4.229 ppm2 4.230 volume 3.9935 assi ((( attr rmsd < 4.278) and (attr rmsd > 4.178)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.842 and attr rmsd > 1.742) 6 6 0 peak 1254 ppm1 4.228 ppm2 1.792 volume 0.3265 assi ((( attr rmsd < 4.274) and (attr rmsd > 4.174)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.632 and attr rmsd > 1.532) 6 6 0 peak 1255 ppm1 4.224 ppm2 1.582 volume 0.4820 assi ((( attr rmsd < 4.273) and (attr rmsd > 4.173)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.914 and attr rmsd > 0.814) 6 6 0 peak 1256 ppm1 4.223 ppm2 0.864 volume 0.9579 assi ((( attr rmsd < 4.193) and (attr rmsd > 4.093)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.198 and attr rmsd > 4.098) 6 6 0 peak 1257 ppm1 4.143 ppm2 4.148 volume 6.5704 assi ((( attr rmsd < 4.199) and (attr rmsd > 4.099)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.839 and attr rmsd > 1.739) 6 6 0 peak 1258 ppm1 4.149 ppm2 1.789 volume 0.1759 assi ((( attr rmsd < 4.036) and (attr rmsd > 3.936)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.041 and attr rmsd > 3.941) 6 6 0 peak 1259 ppm1 3.986 ppm2 3.991 volume 0.4145 assi ((( attr rmsd < 3.901) and (attr rmsd > 3.801)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.898 and attr rmsd > 3.798) 6 6 0 peak 1260 ppm1 3.851 ppm2 3.848 volume 1.5375 assi ((( attr rmsd < 3.903) and (attr rmsd > 3.803)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 1261 ppm1 3.853 ppm2 3.591 volume 0.7004 assi ((( attr rmsd < 3.877) and (attr rmsd > 3.777)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.843 and attr rmsd > 1.743) 6 6 0 peak 1262 ppm1 3.827 ppm2 1.793 volume 0.2695 assi ((( attr rmsd < 3.884) and (attr rmsd > 3.784)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.934 and attr rmsd > 0.834) 6 6 0 peak 1263 ppm1 3.834 ppm2 0.884 volume 0.3448 assi ((( attr rmsd < 3.867) and (attr rmsd > 3.767)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.726 and attr rmsd > 3.626) 6 6 0 peak 1264 ppm1 3.817 ppm2 3.676 volume 0.9368 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.564 and attr rmsd > 3.464) 6 6 0 peak 1265 ppm1 3.810 ppm2 3.514 volume 0.9324 assi ((( attr rmsd < 3.816) and (attr rmsd > 3.716)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.639 and attr rmsd > 3.539) 6 6 0 peak 1266 ppm1 3.766 ppm2 3.589 volume 0.7771 assi ((( attr rmsd < 3.786) and (attr rmsd > 3.686)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.651 and attr rmsd > 3.551) 6 6 0 peak 1267 ppm1 3.736 ppm2 3.601 volume 1.0230 assi ((( attr rmsd < 3.729) and (attr rmsd > 3.629)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.872 and attr rmsd > 3.772) 6 6 0 peak 1268 ppm1 3.679 ppm2 3.822 volume 0.8425 assi ((( attr rmsd < 3.666) and (attr rmsd > 3.566)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.737 and attr rmsd > 3.637) 6 6 0 peak 1269 ppm1 3.616 ppm2 3.687 volume 1.9497 assi ((( attr rmsd < 3.642) and (attr rmsd > 3.542)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.855 and attr rmsd > 3.755) 6 6 0 peak 1270 ppm1 3.592 ppm2 3.805 volume 0.9135 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 1271 ppm1 3.582 ppm2 3.596 volume 2.3460 assi ((( attr rmsd < 3.599) and (attr rmsd > 3.499)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.732 and attr rmsd > 3.632) 6 6 0 peak 1272 ppm1 3.549 ppm2 3.682 volume 1.8839 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.084 and attr rmsd > 2.984) 6 6 0 peak 1273 ppm1 3.030 ppm2 3.034 volume 0.9791 assi ((( attr rmsd < 3.039) and (attr rmsd > 2.939)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 3.237 and attr rmsd > 3.137) 6 6 0 peak 1274 ppm1 2.989 ppm2 3.187 volume 0.7497 assi ((( attr rmsd < 2.327) and (attr rmsd > 2.227)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.341 and attr rmsd > 2.241) 6 6 0 peak 1275 ppm1 2.277 ppm2 2.291 volume 0.3038 assi ((( attr rmsd < 2.248) and (attr rmsd > 2.148)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.280 and attr rmsd > 2.180) 6 6 0 peak 1276 ppm1 2.198 ppm2 2.230 volume 0.2126 assi ((( attr rmsd < 2.157) and (attr rmsd > 2.057)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 1277 ppm1 2.107 ppm2 2.110 volume 0.8107 assi ((( attr rmsd < 2.084) and (attr rmsd > 1.984)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.001 and attr rmsd > 1.901) 6 6 0 peak 1278 ppm1 2.034 ppm2 1.951 volume 0.4587 assi ((( attr rmsd < 2.067) and (attr rmsd > 1.967)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.541 and attr rmsd > 2.441) 6 6 0 peak 1279 ppm1 2.017 ppm2 2.491 volume 0.1599 assi ((( attr rmsd < 2.010) and (attr rmsd > 1.910)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.083 and attr rmsd > 1.983) 6 6 0 peak 1280 ppm1 1.960 ppm2 2.033 volume 0.5410 assi ((( attr rmsd < 1.835) and (attr rmsd > 1.735)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.348 and attr rmsd > 0.248) 6 6 0 peak 1281 ppm1 1.785 ppm2 0.298 volume 0.3197 assi ((( attr rmsd < 1.826) and (attr rmsd > 1.726)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.620 and attr rmsd > 0.520) 6 6 0 peak 1282 ppm1 1.776 ppm2 0.570 volume 0.2746 assi ((( attr rmsd < 1.712) and (attr rmsd > 1.612)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.719 and attr rmsd > 1.619) 6 6 0 peak 1283 ppm1 1.662 ppm2 1.669 volume 0.9124 assi ((( attr rmsd < 1.673) and (attr rmsd > 1.573)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.413 and attr rmsd > 4.313) 6 6 0 peak 1284 ppm1 1.623 ppm2 4.363 volume 0.2078 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 4.193 and attr rmsd > 4.093) 6 6 0 peak 1285 ppm1 1.527 ppm2 4.143 volume 0.3833 assi ((( attr rmsd < 1.569) and (attr rmsd > 1.469)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.577 and attr rmsd > 1.477) 6 6 0 peak 1286 ppm1 1.519 ppm2 1.527 volume 0.6026 assi ((( attr rmsd < 1.482) and (attr rmsd > 1.382)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.489 and attr rmsd > 1.389) 6 6 0 peak 1287 ppm1 1.432 ppm2 1.439 volume 0.3142 assi ((( attr rmsd < 1.356) and (attr rmsd > 1.256)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.367 and attr rmsd > 1.267) 6 6 0 peak 1288 ppm1 1.306 ppm2 1.317 volume 0.1870 assi ((( attr rmsd < 1.249) and (attr rmsd > 1.149)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 1289 ppm1 1.199 ppm2 1.204 volume 0.6152 assi ((( attr rmsd < 1.006) and (attr rmsd > 0.906)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.131 and attr rmsd > 2.031) 6 6 0 peak 1290 ppm1 0.956 ppm2 2.081 volume 0.1522 assi ((( attr rmsd < 1.005) and (attr rmsd > 0.905)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 1291 ppm1 0.955 ppm2 0.966 volume 2.3110 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.986 and attr rmsd > 0.886) 6 6 0 peak 1292 ppm1 0.930 ppm2 0.936 volume 2.3993 assi ((( attr rmsd < 0.935) and (attr rmsd > 0.835)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 1293 ppm1 0.885 ppm2 0.890 volume 2.4234 assi ((( attr rmsd < 0.812) and (attr rmsd > 0.712)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.818 and attr rmsd > 0.718) 6 6 0 peak 1294 ppm1 0.762 ppm2 0.768 volume 0.9249 assi ((( attr rmsd < 0.705) and (attr rmsd > 0.605)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.710 and attr rmsd > 0.610) 6 6 0 peak 1295 ppm1 0.655 ppm2 0.660 volume 0.4407 assi ((( attr rmsd < 0.577) and (attr rmsd > 0.477)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.585 and attr rmsd > 0.485) 6 6 0 peak 1296 ppm1 0.527 ppm2 0.535 volume 0.1826 assi ((( attr rmsd < 0.273) and (attr rmsd > 0.173)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.274 and attr rmsd > 0.174) 6 6 0 peak 1297 ppm1 0.223 ppm2 0.224 volume 0.1499 assi ((( attr rmsd < 4.386) and (attr rmsd > 4.286)) and bondedto(attr rmsd < 79.031 and attr rmsd > 78.031)) ( attr rmsd < 1.871 and attr rmsd > 1.771) 6 6 0 peak 11298 ppm1 4.336 ppm2 1.821 volume 0.2260 assi ((( attr rmsd < 4.386) and (attr rmsd > 4.286)) and bondedto(attr rmsd < 31.511 and attr rmsd > 30.511)) ( attr rmsd < 1.871 and attr rmsd > 1.771) 6 6 0 peak 21298 ppm1 4.336 ppm2 1.821 volume 0.2260 assi ((( attr rmsd < 1.887) and (attr rmsd > 1.787)) and bondedto(attr rmsd < 79.064 and attr rmsd > 78.064)) ( attr rmsd < 1.687 and attr rmsd > 1.587) 6 6 0 peak 11299 ppm1 1.837 ppm2 1.637 volume 0.9687 assi ((( attr rmsd < 1.887) and (attr rmsd > 1.787)) and bondedto(attr rmsd < 31.544 and attr rmsd > 30.544)) ( attr rmsd < 1.687 and attr rmsd > 1.587) 6 6 0 peak 21299 ppm1 1.837 ppm2 1.637 volume 0.9687 assi ((( attr rmsd < 1.846) and (attr rmsd > 1.746)) and bondedto(attr rmsd < 79.079 and attr rmsd > 78.079)) ( attr rmsd < 4.394 and attr rmsd > 4.294) 6 6 0 peak 11300 ppm1 1.796 ppm2 4.344 volume 0.3097 assi ((( attr rmsd < 1.846) and (attr rmsd > 1.746)) and bondedto(attr rmsd < 31.559 and attr rmsd > 30.559)) ( attr rmsd < 4.394 and attr rmsd > 4.294) 6 6 0 peak 21300 ppm1 1.796 ppm2 4.344 volume 0.3097 assi ((( attr rmsd < 5.676) and (attr rmsd > 5.576)) and bondedto(attr rmsd < 55.234 and attr rmsd > 54.234)) ( attr rmsd < 5.679 and attr rmsd > 5.579) 6 6 0 peak 1301 ppm1 5.626 ppm2 5.629 volume 1.4374 assi ((( attr rmsd < 5.677) and (attr rmsd > 5.577)) and bondedto(attr rmsd < 55.244 and attr rmsd > 54.244)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 1302 ppm1 5.627 ppm2 1.874 volume 0.3676 assi ((( attr rmsd < 5.676) and (attr rmsd > 5.576)) and bondedto(attr rmsd < 55.256 and attr rmsd > 54.256)) ( attr rmsd < 1.764 and attr rmsd > 1.664) 6 6 0 peak 1303 ppm1 5.626 ppm2 1.714 volume 0.4696 assi ((( attr rmsd < 5.674) and (attr rmsd > 5.574)) and bondedto(attr rmsd < 55.248 and attr rmsd > 54.248)) ( attr rmsd < 1.595 and attr rmsd > 1.495) 6 6 0 peak 1304 ppm1 5.624 ppm2 1.545 volume 0.3450 assi ((( attr rmsd < 5.452) and (attr rmsd > 5.352)) and bondedto(attr rmsd < 55.227 and attr rmsd > 54.227)) ( attr rmsd < 5.457 and attr rmsd > 5.357) 6 6 0 peak 1305 ppm1 5.402 ppm2 5.407 volume 1.6541 assi ((( attr rmsd < 4.972) and (attr rmsd > 4.872)) and bondedto(attr rmsd < 55.293 and attr rmsd > 54.293)) ( attr rmsd < 4.205 and attr rmsd > 4.105) 6 6 0 peak 1306 ppm1 4.922 ppm2 4.155 volume 0.2100 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 55.352 and attr rmsd > 54.352)) ( attr rmsd < 4.204 and attr rmsd > 4.104) 6 6 0 peak 1307 ppm1 4.849 ppm2 4.154 volume 0.4852 assi ((( attr rmsd < 4.874) and (attr rmsd > 4.774)) and bondedto(attr rmsd < 55.270 and attr rmsd > 54.270)) ( attr rmsd < 1.868 and attr rmsd > 1.768) 6 6 0 peak 1308 ppm1 4.824 ppm2 1.818 volume 0.3126 assi ((( attr rmsd < 4.826) and (attr rmsd > 4.726)) and bondedto(attr rmsd < 55.330 and attr rmsd > 54.330)) ( attr rmsd < 4.202 and attr rmsd > 4.102) 6 6 0 peak 1309 ppm1 4.776 ppm2 4.152 volume 0.2541 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 55.338 and attr rmsd > 54.338)) ( attr rmsd < 4.206 and attr rmsd > 4.106) 6 6 0 peak 1310 ppm1 4.712 ppm2 4.156 volume 0.3738 assi ((( attr rmsd < 4.736) and (attr rmsd > 4.636)) and bondedto(attr rmsd < 55.201 and attr rmsd > 54.201)) ( attr rmsd < 1.872 and attr rmsd > 1.772) 6 6 0 peak 1311 ppm1 4.686 ppm2 1.822 volume 0.4856 assi ((( attr rmsd < 4.723) and (attr rmsd > 4.623)) and bondedto(attr rmsd < 55.314 and attr rmsd > 54.314)) ( attr rmsd < 1.684 and attr rmsd > 1.584) 6 6 0 peak 1312 ppm1 4.673 ppm2 1.634 volume 0.2454 assi ((( attr rmsd < 4.531) and (attr rmsd > 4.431)) and bondedto(attr rmsd < 55.303 and attr rmsd > 54.303)) ( attr rmsd < 0.977 and attr rmsd > 0.877) 6 6 0 peak 1313 ppm1 4.481 ppm2 0.927 volume 0.9305 assi ((( attr rmsd < 4.488) and (attr rmsd > 4.388)) and bondedto(attr rmsd < 55.311 and attr rmsd > 54.311)) ( attr rmsd < 0.938 and attr rmsd > 0.838) 6 6 0 peak 1314 ppm1 4.438 ppm2 0.888 volume 0.8698 assi ((( attr rmsd < 4.476) and (attr rmsd > 4.376)) and bondedto(attr rmsd < 55.352 and attr rmsd > 54.352)) ( attr rmsd < 1.729 and attr rmsd > 1.629) 6 6 0 peak 1315 ppm1 4.426 ppm2 1.679 volume 0.3444 assi ((( attr rmsd < 4.479) and (attr rmsd > 4.379)) and bondedto(attr rmsd < 55.314 and attr rmsd > 54.314)) ( attr rmsd < 1.606 and attr rmsd > 1.506) 6 6 0 peak 1316 ppm1 4.429 ppm2 1.556 volume 0.4207 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 55.370 and attr rmsd > 54.370)) ( attr rmsd < 1.579 and attr rmsd > 1.479) 6 6 0 peak 1317 ppm1 4.142 ppm2 1.529 volume 1.5926 assi ((( attr rmsd < 3.831) and (attr rmsd > 3.731)) and bondedto(attr rmsd < 55.293 and attr rmsd > 54.293)) ( attr rmsd < 1.740 and attr rmsd > 1.640) 6 6 0 peak 1318 ppm1 3.781 ppm2 1.690 volume 0.2528 assi ((( attr rmsd < 3.834) and (attr rmsd > 3.734)) and bondedto(attr rmsd < 55.336 and attr rmsd > 54.336)) ( attr rmsd < 1.480 and attr rmsd > 1.380) 6 6 0 peak 1319 ppm1 3.784 ppm2 1.430 volume 1.0278 assi ((( attr rmsd < 3.829) and (attr rmsd > 3.729)) and bondedto(attr rmsd < 55.291 and attr rmsd > 54.291)) ( attr rmsd < 0.751 and attr rmsd > 0.651) 6 6 0 peak 1320 ppm1 3.779 ppm2 0.701 volume 0.3764 assi ((( attr rmsd < 3.826) and (attr rmsd > 3.726)) and bondedto(attr rmsd < 55.285 and attr rmsd > 54.285)) ( attr rmsd < 1.341 and attr rmsd > 1.241) 6 6 0 peak 1321 ppm1 3.776 ppm2 1.291 volume 0.5774 assi ((( attr rmsd < 2.576) and (attr rmsd > 2.476)) and bondedto(attr rmsd < 55.340 and attr rmsd > 54.340)) ( attr rmsd < 2.516 and attr rmsd > 2.416) 6 6 0 peak 1322 ppm1 2.526 ppm2 2.466 volume 0.7381 assi ((( attr rmsd < 2.504) and (attr rmsd > 2.404)) and bondedto(attr rmsd < 55.314 and attr rmsd > 54.314)) ( attr rmsd < 2.591 and attr rmsd > 2.491) 6 6 0 peak 1323 ppm1 2.454 ppm2 2.541 volume 0.6517 assi ((( attr rmsd < 2.363) and (attr rmsd > 2.263)) and bondedto(attr rmsd < 55.275 and attr rmsd > 54.275)) ( attr rmsd < 2.366 and attr rmsd > 2.266) 6 6 0 peak 1324 ppm1 2.313 ppm2 2.316 volume 0.3402 assi ((( attr rmsd < 2.100) and (attr rmsd > 2.000)) and bondedto(attr rmsd < 55.277 and attr rmsd > 54.277)) ( attr rmsd < 2.196 and attr rmsd > 2.096) 6 6 0 peak 1325 ppm1 2.050 ppm2 2.146 volume 0.1684 assi ((( attr rmsd < 1.885) and (attr rmsd > 1.785)) and bondedto(attr rmsd < 55.204 and attr rmsd > 54.204)) ( attr rmsd < 1.570 and attr rmsd > 1.470) 6 6 0 peak 1326 ppm1 1.835 ppm2 1.520 volume 0.3616 assi ((( attr rmsd < 1.472) and (attr rmsd > 1.372)) and bondedto(attr rmsd < 55.304 and attr rmsd > 54.304)) ( attr rmsd < 3.829 and attr rmsd > 3.729) 6 6 0 peak 1327 ppm1 1.422 ppm2 3.779 volume 0.1824 assi ((( attr rmsd < 4.731) and (attr rmsd > 4.631)) and bondedto(attr rmsd < 78.785 and attr rmsd > 77.785)) ( attr rmsd < 3.185 and attr rmsd > 3.085) 6 6 0 peak 11328 ppm1 4.681 ppm2 3.135 volume 0.8275 assi ((( attr rmsd < 4.731) and (attr rmsd > 4.631)) and bondedto(attr rmsd < 31.265 and attr rmsd > 30.265)) ( attr rmsd < 3.185 and attr rmsd > 3.085) 6 6 0 peak 21328 ppm1 4.681 ppm2 3.135 volume 0.8275 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 78.825 and attr rmsd > 77.825)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 11329 ppm1 4.614 ppm2 3.128 volume 0.5449 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 31.305 and attr rmsd > 30.305)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 21329 ppm1 4.614 ppm2 3.128 volume 0.5449 assi ((( attr rmsd < 4.571) and (attr rmsd > 4.471)) and bondedto(attr rmsd < 78.806 and attr rmsd > 77.806)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 11330 ppm1 4.521 ppm2 3.128 volume 0.1843 assi ((( attr rmsd < 4.571) and (attr rmsd > 4.471)) and bondedto(attr rmsd < 31.286 and attr rmsd > 30.286)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 21330 ppm1 4.521 ppm2 3.128 volume 0.1843 assi ((( attr rmsd < 4.306) and (attr rmsd > 4.206)) and bondedto(attr rmsd < 78.790 and attr rmsd > 77.790)) ( attr rmsd < 4.472 and attr rmsd > 4.372) 6 6 0 peak 11331 ppm1 4.256 ppm2 4.422 volume 0.2745 assi ((( attr rmsd < 4.306) and (attr rmsd > 4.206)) and bondedto(attr rmsd < 31.270 and attr rmsd > 30.270)) ( attr rmsd < 4.472 and attr rmsd > 4.372) 6 6 0 peak 21331 ppm1 4.256 ppm2 4.422 volume 0.2745 assi ((( attr rmsd < 4.141) and (attr rmsd > 4.041)) and bondedto(attr rmsd < 78.862 and attr rmsd > 77.862)) ( attr rmsd < 4.468 and attr rmsd > 4.368) 6 6 0 peak 11332 ppm1 4.091 ppm2 4.418 volume 0.1924 assi ((( attr rmsd < 4.141) and (attr rmsd > 4.041)) and bondedto(attr rmsd < 31.342 and attr rmsd > 30.342)) ( attr rmsd < 4.468 and attr rmsd > 4.368) 6 6 0 peak 21332 ppm1 4.091 ppm2 4.418 volume 0.1924 assi ((( attr rmsd < 3.534) and (attr rmsd > 3.434)) and bondedto(attr rmsd < 78.869 and attr rmsd > 77.869)) ( attr rmsd < 3.540 and attr rmsd > 3.440) 6 6 0 peak 11333 ppm1 3.484 ppm2 3.490 volume 0.2133 assi ((( attr rmsd < 3.534) and (attr rmsd > 3.434)) and bondedto(attr rmsd < 31.349 and attr rmsd > 30.349)) ( attr rmsd < 3.540 and attr rmsd > 3.440) 6 6 0 peak 21333 ppm1 3.484 ppm2 3.490 volume 0.2133 assi ((( attr rmsd < 3.168) and (attr rmsd > 3.068)) and bondedto(attr rmsd < 78.877 and attr rmsd > 77.877)) ( attr rmsd < 4.677 and attr rmsd > 4.577) 6 6 0 peak 11334 ppm1 3.118 ppm2 4.627 volume 0.6970 assi ((( attr rmsd < 3.168) and (attr rmsd > 3.068)) and bondedto(attr rmsd < 31.357 and attr rmsd > 30.357)) ( attr rmsd < 4.677 and attr rmsd > 4.577) 6 6 0 peak 21334 ppm1 3.118 ppm2 4.627 volume 0.6970 assi ((( attr rmsd < 3.169) and (attr rmsd > 3.069)) and bondedto(attr rmsd < 78.836 and attr rmsd > 77.836)) ( attr rmsd < 3.181 and attr rmsd > 3.081) 6 6 0 peak 11335 ppm1 3.119 ppm2 3.131 volume 19.5549 assi ((( attr rmsd < 3.169) and (attr rmsd > 3.069)) and bondedto(attr rmsd < 31.316 and attr rmsd > 30.316)) ( attr rmsd < 3.181 and attr rmsd > 3.081) 6 6 0 peak 21335 ppm1 3.119 ppm2 3.131 volume 19.5549 assi ((( attr rmsd < 1.890) and (attr rmsd > 1.790)) and bondedto(attr rmsd < 78.870 and attr rmsd > 77.870)) ( attr rmsd < 1.886 and attr rmsd > 1.786) 6 6 0 peak 11336 ppm1 1.840 ppm2 1.836 volume 9.1608 assi ((( attr rmsd < 1.890) and (attr rmsd > 1.790)) and bondedto(attr rmsd < 31.350 and attr rmsd > 30.350)) ( attr rmsd < 1.886 and attr rmsd > 1.786) 6 6 0 peak 21336 ppm1 1.840 ppm2 1.836 volume 9.1608 assi ((( attr rmsd < 1.830) and (attr rmsd > 1.730)) and bondedto(attr rmsd < 78.878 and attr rmsd > 77.878)) ( attr rmsd < 1.691 and attr rmsd > 1.591) 6 6 0 peak 11337 ppm1 1.780 ppm2 1.641 volume 0.8845 assi ((( attr rmsd < 1.830) and (attr rmsd > 1.730)) and bondedto(attr rmsd < 31.358 and attr rmsd > 30.358)) ( attr rmsd < 1.691 and attr rmsd > 1.591) 6 6 0 peak 21337 ppm1 1.780 ppm2 1.641 volume 0.8845 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 55.096 and attr rmsd > 54.096)) ( attr rmsd < 3.179 and attr rmsd > 3.079) 6 6 0 peak 1338 ppm1 4.868 ppm2 3.129 volume 0.4560 assi ((( attr rmsd < 4.887) and (attr rmsd > 4.787)) and bondedto(attr rmsd < 55.087 and attr rmsd > 54.087)) ( attr rmsd < 3.838 and attr rmsd > 3.738) 6 6 0 peak 1339 ppm1 4.837 ppm2 3.788 volume 0.1709 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 55.053 and attr rmsd > 54.053)) ( attr rmsd < 3.839 and attr rmsd > 3.739) 6 6 0 peak 1340 ppm1 4.707 ppm2 3.789 volume 0.1746 assi ((( attr rmsd < 3.837) and (attr rmsd > 3.737)) and bondedto(attr rmsd < 55.095 and attr rmsd > 54.095)) ( attr rmsd < 3.839 and attr rmsd > 3.739) 6 6 0 peak 1341 ppm1 3.787 ppm2 3.789 volume 2.6683 assi ((( attr rmsd < 3.178) and (attr rmsd > 3.078)) and bondedto(attr rmsd < 55.066 and attr rmsd > 54.066)) ( attr rmsd < 1.916 and attr rmsd > 1.816) 6 6 0 peak 1342 ppm1 3.128 ppm2 1.866 volume 0.1763 assi ((( attr rmsd < 3.165) and (attr rmsd > 3.065)) and bondedto(attr rmsd < 55.079 and attr rmsd > 54.079)) ( attr rmsd < 3.045 and attr rmsd > 2.945) 6 6 0 peak 1343 ppm1 3.115 ppm2 2.995 volume 1.4226 assi ((( attr rmsd < 3.166) and (attr rmsd > 3.066)) and bondedto(attr rmsd < 55.082 and attr rmsd > 54.082)) ( attr rmsd < 1.499 and attr rmsd > 1.399) 6 6 0 peak 1344 ppm1 3.116 ppm2 1.449 volume 0.1562 assi ((( attr rmsd < 2.374) and (attr rmsd > 2.274)) and bondedto(attr rmsd < 55.125 and attr rmsd > 54.125)) ( attr rmsd < 2.089 and attr rmsd > 1.989) 6 6 0 peak 1345 ppm1 2.324 ppm2 2.039 volume 0.1443 assi ((( attr rmsd < 5.114) and (attr rmsd > 5.014)) and bondedto(attr rmsd < 78.617 and attr rmsd > 77.617)) ( attr rmsd < 5.189 and attr rmsd > 5.089) 6 6 0 peak 11346 ppm1 5.064 ppm2 5.139 volume 0.2834 assi ((( attr rmsd < 5.114) and (attr rmsd > 5.014)) and bondedto(attr rmsd < 31.097 and attr rmsd > 30.097)) ( attr rmsd < 5.189 and attr rmsd > 5.089) 6 6 0 peak 21346 ppm1 5.064 ppm2 5.139 volume 0.2834 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 78.604 and attr rmsd > 77.604)) ( attr rmsd < 4.983 and attr rmsd > 4.883) 6 6 0 peak 11347 ppm1 4.868 ppm2 4.933 volume 1.2716 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 31.084 and attr rmsd > 30.084)) ( attr rmsd < 4.983 and attr rmsd > 4.883) 6 6 0 peak 21347 ppm1 4.868 ppm2 4.933 volume 1.2716 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 78.665 and attr rmsd > 77.665)) ( attr rmsd < 4.835 and attr rmsd > 4.735) 6 6 0 peak 11348 ppm1 4.833 ppm2 4.785 volume 2.0187 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 31.145 and attr rmsd > 30.145)) ( attr rmsd < 4.835 and attr rmsd > 4.735) 6 6 0 peak 21348 ppm1 4.833 ppm2 4.785 volume 2.0187 assi ((( attr rmsd < 4.822) and (attr rmsd > 4.722)) and bondedto(attr rmsd < 78.641 and attr rmsd > 77.641)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 11349 ppm1 4.772 ppm2 4.779 volume 1.4692 assi ((( attr rmsd < 4.822) and (attr rmsd > 4.722)) and bondedto(attr rmsd < 31.121 and attr rmsd > 30.121)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 21349 ppm1 4.772 ppm2 4.779 volume 1.4692 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 78.610 and attr rmsd > 77.610)) ( attr rmsd < 4.691 and attr rmsd > 4.591) 6 6 0 peak 11350 ppm1 4.731 ppm2 4.641 volume 0.8001 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 31.090 and attr rmsd > 30.090)) ( attr rmsd < 4.691 and attr rmsd > 4.591) 6 6 0 peak 21350 ppm1 4.731 ppm2 4.641 volume 0.8001 assi ((( attr rmsd < 4.739) and (attr rmsd > 4.639)) and bondedto(attr rmsd < 78.633 and attr rmsd > 77.633)) ( attr rmsd < 4.784 and attr rmsd > 4.684) 6 6 0 peak 11351 ppm1 4.689 ppm2 4.734 volume 6.7687 assi ((( attr rmsd < 4.739) and (attr rmsd > 4.639)) and bondedto(attr rmsd < 31.113 and attr rmsd > 30.113)) ( attr rmsd < 4.784 and attr rmsd > 4.684) 6 6 0 peak 21351 ppm1 4.689 ppm2 4.734 volume 6.7687 assi ((( attr rmsd < 4.705) and (attr rmsd > 4.605)) and bondedto(attr rmsd < 78.642 and attr rmsd > 77.642)) ( attr rmsd < 4.858 and attr rmsd > 4.758) 6 6 0 peak 11352 ppm1 4.655 ppm2 4.808 volume 1.1452 assi ((( attr rmsd < 4.705) and (attr rmsd > 4.605)) and bondedto(attr rmsd < 31.122 and attr rmsd > 30.122)) ( attr rmsd < 4.858 and attr rmsd > 4.758) 6 6 0 peak 21352 ppm1 4.655 ppm2 4.808 volume 1.1452 assi ((( attr rmsd < 3.913) and (attr rmsd > 3.813)) and bondedto(attr rmsd < 78.619 and attr rmsd > 77.619)) ( attr rmsd < 3.921 and attr rmsd > 3.821) 6 6 0 peak 11353 ppm1 3.863 ppm2 3.871 volume 0.5171 assi ((( attr rmsd < 3.913) and (attr rmsd > 3.813)) and bondedto(attr rmsd < 31.099 and attr rmsd > 30.099)) ( attr rmsd < 3.921 and attr rmsd > 3.821) 6 6 0 peak 21353 ppm1 3.863 ppm2 3.871 volume 0.5171 assi ((( attr rmsd < 3.901) and (attr rmsd > 3.801)) and bondedto(attr rmsd < 78.658 and attr rmsd > 77.658)) ( attr rmsd < 3.643 and attr rmsd > 3.543) 6 6 0 peak 11354 ppm1 3.851 ppm2 3.593 volume 0.4189 assi ((( attr rmsd < 3.901) and (attr rmsd > 3.801)) and bondedto(attr rmsd < 31.138 and attr rmsd > 30.138)) ( attr rmsd < 3.643 and attr rmsd > 3.543) 6 6 0 peak 21354 ppm1 3.851 ppm2 3.593 volume 0.4189 assi ((( attr rmsd < 3.787) and (attr rmsd > 3.687)) and bondedto(attr rmsd < 78.631 and attr rmsd > 77.631)) ( attr rmsd < 3.651 and attr rmsd > 3.551) 6 6 0 peak 11355 ppm1 3.737 ppm2 3.601 volume 0.6181 assi ((( attr rmsd < 3.787) and (attr rmsd > 3.687)) and bondedto(attr rmsd < 31.111 and attr rmsd > 30.111)) ( attr rmsd < 3.651 and attr rmsd > 3.551) 6 6 0 peak 21355 ppm1 3.737 ppm2 3.601 volume 0.6181 assi ((( attr rmsd < 3.729) and (attr rmsd > 3.629)) and bondedto(attr rmsd < 78.608 and attr rmsd > 77.608)) ( attr rmsd < 3.874 and attr rmsd > 3.774) 6 6 0 peak 11356 ppm1 3.679 ppm2 3.824 volume 0.4173 assi ((( attr rmsd < 3.729) and (attr rmsd > 3.629)) and bondedto(attr rmsd < 31.088 and attr rmsd > 30.088)) ( attr rmsd < 3.874 and attr rmsd > 3.774) 6 6 0 peak 21356 ppm1 3.679 ppm2 3.824 volume 0.4173 assi ((( attr rmsd < 3.730) and (attr rmsd > 3.630)) and bondedto(attr rmsd < 78.648 and attr rmsd > 77.648)) ( attr rmsd < 3.555 and attr rmsd > 3.455) 6 6 0 peak 11357 ppm1 3.680 ppm2 3.505 volume 1.1115 assi ((( attr rmsd < 3.730) and (attr rmsd > 3.630)) and bondedto(attr rmsd < 31.128 and attr rmsd > 30.128)) ( attr rmsd < 3.555 and attr rmsd > 3.455) 6 6 0 peak 21357 ppm1 3.680 ppm2 3.505 volume 1.1115 assi ((( attr rmsd < 3.664) and (attr rmsd > 3.564)) and bondedto(attr rmsd < 78.717 and attr rmsd > 77.717)) ( attr rmsd < 3.736 and attr rmsd > 3.636) 6 6 0 peak 11358 ppm1 3.614 ppm2 3.686 volume 1.6418 assi ((( attr rmsd < 3.664) and (attr rmsd > 3.564)) and bondedto(attr rmsd < 31.197 and attr rmsd > 30.197)) ( attr rmsd < 3.736 and attr rmsd > 3.636) 6 6 0 peak 21358 ppm1 3.614 ppm2 3.686 volume 1.6418 assi ((( attr rmsd < 3.600) and (attr rmsd > 3.500)) and bondedto(attr rmsd < 78.667 and attr rmsd > 77.667)) ( attr rmsd < 3.732 and attr rmsd > 3.632) 6 6 0 peak 11359 ppm1 3.550 ppm2 3.682 volume 1.2300 assi ((( attr rmsd < 3.600) and (attr rmsd > 3.500)) and bondedto(attr rmsd < 31.147 and attr rmsd > 30.147)) ( attr rmsd < 3.732 and attr rmsd > 3.632) 6 6 0 peak 21359 ppm1 3.550 ppm2 3.682 volume 1.2300 assi ((( attr rmsd < 3.294) and (attr rmsd > 3.194)) and bondedto(attr rmsd < 78.666 and attr rmsd > 77.666)) ( attr rmsd < 2.365 and attr rmsd > 2.265) 6 6 0 peak 11360 ppm1 3.244 ppm2 2.315 volume 0.1579 assi ((( attr rmsd < 3.294) and (attr rmsd > 3.194)) and bondedto(attr rmsd < 31.146 and attr rmsd > 30.146)) ( attr rmsd < 2.365 and attr rmsd > 2.265) 6 6 0 peak 21360 ppm1 3.244 ppm2 2.315 volume 0.1579 assi ((( attr rmsd < 3.291) and (attr rmsd > 3.191)) and bondedto(attr rmsd < 78.656 and attr rmsd > 77.656)) ( attr rmsd < 5.072 and attr rmsd > 4.972) 6 6 0 peak 11361 ppm1 3.241 ppm2 5.022 volume 0.3216 assi ((( attr rmsd < 3.291) and (attr rmsd > 3.191)) and bondedto(attr rmsd < 31.136 and attr rmsd > 30.136)) ( attr rmsd < 5.072 and attr rmsd > 4.972) 6 6 0 peak 21361 ppm1 3.241 ppm2 5.022 volume 0.3216 assi ((( attr rmsd < 3.291) and (attr rmsd > 3.191)) and bondedto(attr rmsd < 78.679 and attr rmsd > 77.679)) ( attr rmsd < 3.746 and attr rmsd > 3.646) 6 6 0 peak 11362 ppm1 3.241 ppm2 3.696 volume 0.1681 assi ((( attr rmsd < 3.291) and (attr rmsd > 3.191)) and bondedto(attr rmsd < 31.159 and attr rmsd > 30.159)) ( attr rmsd < 3.746 and attr rmsd > 3.646) 6 6 0 peak 21362 ppm1 3.241 ppm2 3.696 volume 0.1681 assi ((( attr rmsd < 3.285) and (attr rmsd > 3.185)) and bondedto(attr rmsd < 78.662 and attr rmsd > 77.662)) ( attr rmsd < 3.647 and attr rmsd > 3.547) 6 6 0 peak 11363 ppm1 3.235 ppm2 3.597 volume 0.1996 assi ((( attr rmsd < 3.285) and (attr rmsd > 3.185)) and bondedto(attr rmsd < 31.142 and attr rmsd > 30.142)) ( attr rmsd < 3.647 and attr rmsd > 3.547) 6 6 0 peak 21363 ppm1 3.235 ppm2 3.597 volume 0.1996 assi ((( attr rmsd < 3.290) and (attr rmsd > 3.190)) and bondedto(attr rmsd < 78.647 and attr rmsd > 77.647)) ( attr rmsd < 3.023 and attr rmsd > 2.923) 6 6 0 peak 11364 ppm1 3.240 ppm2 2.973 volume 1.2840 assi ((( attr rmsd < 3.290) and (attr rmsd > 3.190)) and bondedto(attr rmsd < 31.127 and attr rmsd > 30.127)) ( attr rmsd < 3.023 and attr rmsd > 2.923) 6 6 0 peak 21364 ppm1 3.240 ppm2 2.973 volume 1.2840 assi ((( attr rmsd < 3.172) and (attr rmsd > 3.072)) and bondedto(attr rmsd < 78.662 and attr rmsd > 77.662)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11365 ppm1 3.122 ppm2 4.777 volume 2.1065 assi ((( attr rmsd < 3.172) and (attr rmsd > 3.072)) and bondedto(attr rmsd < 31.142 and attr rmsd > 30.142)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21365 ppm1 3.122 ppm2 4.777 volume 2.1065 assi ((( attr rmsd < 3.033) and (attr rmsd > 2.933)) and bondedto(attr rmsd < 78.645 and attr rmsd > 77.645)) ( attr rmsd < 2.964 and attr rmsd > 2.864) 6 6 0 peak 11366 ppm1 2.983 ppm2 2.914 volume 0.5993 assi ((( attr rmsd < 3.033) and (attr rmsd > 2.933)) and bondedto(attr rmsd < 31.125 and attr rmsd > 30.125)) ( attr rmsd < 2.964 and attr rmsd > 2.864) 6 6 0 peak 21366 ppm1 2.983 ppm2 2.914 volume 0.5993 assi ((( attr rmsd < 3.015) and (attr rmsd > 2.915)) and bondedto(attr rmsd < 78.654 and attr rmsd > 77.654)) ( attr rmsd < 5.075 and attr rmsd > 4.975) 6 6 0 peak 11367 ppm1 2.965 ppm2 5.025 volume 0.3292 assi ((( attr rmsd < 3.015) and (attr rmsd > 2.915)) and bondedto(attr rmsd < 31.134 and attr rmsd > 30.134)) ( attr rmsd < 5.075 and attr rmsd > 4.975) 6 6 0 peak 21367 ppm1 2.965 ppm2 5.025 volume 0.3292 assi ((( attr rmsd < 3.015) and (attr rmsd > 2.915)) and bondedto(attr rmsd < 78.668 and attr rmsd > 77.668)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 11368 ppm1 2.965 ppm2 3.591 volume 0.1833 assi ((( attr rmsd < 3.015) and (attr rmsd > 2.915)) and bondedto(attr rmsd < 31.148 and attr rmsd > 30.148)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 21368 ppm1 2.965 ppm2 3.591 volume 0.1833 assi ((( attr rmsd < 3.018) and (attr rmsd > 2.918)) and bondedto(attr rmsd < 78.684 and attr rmsd > 77.684)) ( attr rmsd < 3.293 and attr rmsd > 3.193) 6 6 0 peak 11369 ppm1 2.968 ppm2 3.243 volume 1.2500 assi ((( attr rmsd < 3.018) and (attr rmsd > 2.918)) and bondedto(attr rmsd < 31.164 and attr rmsd > 30.164)) ( attr rmsd < 3.293 and attr rmsd > 3.193) 6 6 0 peak 21369 ppm1 2.968 ppm2 3.243 volume 1.2500 assi ((( attr rmsd < 3.022) and (attr rmsd > 2.922)) and bondedto(attr rmsd < 78.653 and attr rmsd > 77.653)) ( attr rmsd < 2.365 and attr rmsd > 2.265) 6 6 0 peak 11370 ppm1 2.972 ppm2 2.315 volume 0.1586 assi ((( attr rmsd < 3.022) and (attr rmsd > 2.922)) and bondedto(attr rmsd < 31.133 and attr rmsd > 30.133)) ( attr rmsd < 2.365 and attr rmsd > 2.265) 6 6 0 peak 21370 ppm1 2.972 ppm2 2.315 volume 0.1586 assi ((( attr rmsd < 2.985) and (attr rmsd > 2.885)) and bondedto(attr rmsd < 78.668 and attr rmsd > 77.668)) ( attr rmsd < 3.019 and attr rmsd > 2.919) 6 6 0 peak 11371 ppm1 2.935 ppm2 2.969 volume 0.9159 assi ((( attr rmsd < 2.985) and (attr rmsd > 2.885)) and bondedto(attr rmsd < 31.148 and attr rmsd > 30.148)) ( attr rmsd < 3.019 and attr rmsd > 2.919) 6 6 0 peak 21371 ppm1 2.935 ppm2 2.969 volume 0.9159 assi ((( attr rmsd < 1.898) and (attr rmsd > 1.798)) and bondedto(attr rmsd < 78.656 and attr rmsd > 77.656)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11372 ppm1 1.848 ppm2 4.777 volume 2.2515 assi ((( attr rmsd < 1.898) and (attr rmsd > 1.798)) and bondedto(attr rmsd < 31.136 and attr rmsd > 30.136)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21372 ppm1 1.848 ppm2 4.777 volume 2.2515 assi ((( attr rmsd < 1.907) and (attr rmsd > 1.807)) and bondedto(attr rmsd < 78.676 and attr rmsd > 77.676)) ( attr rmsd < 4.295 and attr rmsd > 4.195) 6 6 0 peak 11373 ppm1 1.857 ppm2 4.245 volume 0.4793 assi ((( attr rmsd < 1.907) and (attr rmsd > 1.807)) and bondedto(attr rmsd < 31.156 and attr rmsd > 30.156)) ( attr rmsd < 4.295 and attr rmsd > 4.195) 6 6 0 peak 21373 ppm1 1.857 ppm2 4.245 volume 0.4793 assi ((( attr rmsd < 1.903) and (attr rmsd > 1.803)) and bondedto(attr rmsd < 78.673 and attr rmsd > 77.673)) ( attr rmsd < 2.258 and attr rmsd > 2.158) 6 6 0 peak 11374 ppm1 1.853 ppm2 2.208 volume 0.8138 assi ((( attr rmsd < 1.903) and (attr rmsd > 1.803)) and bondedto(attr rmsd < 31.153 and attr rmsd > 30.153)) ( attr rmsd < 2.258 and attr rmsd > 2.158) 6 6 0 peak 21374 ppm1 1.853 ppm2 2.208 volume 0.8138 assi ((( attr rmsd < 1.901) and (attr rmsd > 1.801)) and bondedto(attr rmsd < 78.678 and attr rmsd > 77.678)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 11375 ppm1 1.851 ppm2 2.110 volume 1.2285 assi ((( attr rmsd < 1.901) and (attr rmsd > 1.801)) and bondedto(attr rmsd < 31.158 and attr rmsd > 30.158)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 21375 ppm1 1.851 ppm2 2.110 volume 1.2285 assi ((( attr rmsd < 1.779) and (attr rmsd > 1.679)) and bondedto(attr rmsd < 78.638 and attr rmsd > 77.638)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11376 ppm1 1.729 ppm2 4.777 volume 2.0259 assi ((( attr rmsd < 1.779) and (attr rmsd > 1.679)) and bondedto(attr rmsd < 31.118 and attr rmsd > 30.118)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21376 ppm1 1.729 ppm2 4.777 volume 2.0259 assi ((( attr rmsd < 1.665) and (attr rmsd > 1.565)) and bondedto(attr rmsd < 78.634 and attr rmsd > 77.634)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11377 ppm1 1.615 ppm2 4.777 volume 2.0197 assi ((( attr rmsd < 1.665) and (attr rmsd > 1.565)) and bondedto(attr rmsd < 31.114 and attr rmsd > 30.114)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21377 ppm1 1.615 ppm2 4.777 volume 2.0197 assi ((( attr rmsd < 1.529) and (attr rmsd > 1.429)) and bondedto(attr rmsd < 78.682 and attr rmsd > 77.682)) ( attr rmsd < 1.535 and attr rmsd > 1.435) 6 6 0 peak 11378 ppm1 1.479 ppm2 1.485 volume 0.2607 assi ((( attr rmsd < 1.529) and (attr rmsd > 1.429)) and bondedto(attr rmsd < 31.162 and attr rmsd > 30.162)) ( attr rmsd < 1.535 and attr rmsd > 1.435) 6 6 0 peak 21378 ppm1 1.479 ppm2 1.485 volume 0.2607 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 78.660 and attr rmsd > 77.660)) ( attr rmsd < 1.250 and attr rmsd > 1.150) 6 6 0 peak 11379 ppm1 1.200 ppm2 1.200 volume 0.2579 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 31.140 and attr rmsd > 30.140)) ( attr rmsd < 1.250 and attr rmsd > 1.150) 6 6 0 peak 21379 ppm1 1.200 ppm2 1.200 volume 0.2579 assi ((( attr rmsd < 0.973) and (attr rmsd > 0.873)) and bondedto(attr rmsd < 78.637 and attr rmsd > 77.637)) ( attr rmsd < 0.983 and attr rmsd > 0.883) 6 6 0 peak 11380 ppm1 0.923 ppm2 0.933 volume 1.1936 assi ((( attr rmsd < 0.973) and (attr rmsd > 0.873)) and bondedto(attr rmsd < 31.117 and attr rmsd > 30.117)) ( attr rmsd < 0.983 and attr rmsd > 0.883) 6 6 0 peak 21380 ppm1 0.923 ppm2 0.933 volume 1.1936 assi ((( attr rmsd < 0.937) and (attr rmsd > 0.837)) and bondedto(attr rmsd < 78.652 and attr rmsd > 77.652)) ( attr rmsd < 0.939 and attr rmsd > 0.839) 6 6 0 peak 11381 ppm1 0.887 ppm2 0.889 volume 1.3531 assi ((( attr rmsd < 0.937) and (attr rmsd > 0.837)) and bondedto(attr rmsd < 31.132 and attr rmsd > 30.132)) ( attr rmsd < 0.939 and attr rmsd > 0.839) 6 6 0 peak 21381 ppm1 0.887 ppm2 0.889 volume 1.3531 assi ((( attr rmsd < 0.822) and (attr rmsd > 0.722)) and bondedto(attr rmsd < 78.658 and attr rmsd > 77.658)) ( attr rmsd < 0.828 and attr rmsd > 0.728) 6 6 0 peak 11382 ppm1 0.772 ppm2 0.778 volume 0.4790 assi ((( attr rmsd < 0.822) and (attr rmsd > 0.722)) and bondedto(attr rmsd < 31.138 and attr rmsd > 30.138)) ( attr rmsd < 0.828 and attr rmsd > 0.728) 6 6 0 peak 21382 ppm1 0.772 ppm2 0.778 volume 0.4790 assi ((( attr rmsd < 0.737) and (attr rmsd > 0.637)) and bondedto(attr rmsd < 78.641 and attr rmsd > 77.641)) ( attr rmsd < 0.748 and attr rmsd > 0.648) 6 6 0 peak 11383 ppm1 0.687 ppm2 0.698 volume 0.3144 assi ((( attr rmsd < 0.737) and (attr rmsd > 0.637)) and bondedto(attr rmsd < 31.121 and attr rmsd > 30.121)) ( attr rmsd < 0.748 and attr rmsd > 0.648) 6 6 0 peak 21383 ppm1 0.687 ppm2 0.698 volume 0.3144 assi ((( attr rmsd < 0.106) and (attr rmsd > 0.006)) and bondedto(attr rmsd < 78.646 and attr rmsd > 77.646)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11384 ppm1 0.056 ppm2 4.777 volume 1.9956 assi ((( attr rmsd < 0.106) and (attr rmsd > 0.006)) and bondedto(attr rmsd < 31.126 and attr rmsd > 30.126)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21384 ppm1 0.056 ppm2 4.777 volume 1.9956 assi ((( attr rmsd < 0.071) and (attr rmsd > -0.029)) and bondedto(attr rmsd < 78.645 and attr rmsd > 77.645)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11385 ppm1 0.021 ppm2 4.776 volume 2.0016 assi ((( attr rmsd < 0.071) and (attr rmsd > -0.029)) and bondedto(attr rmsd < 31.125 and attr rmsd > 30.125)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21385 ppm1 0.021 ppm2 4.776 volume 2.0016 assi ((( attr rmsd < 5.207) and (attr rmsd > 5.107)) and bondedto(attr rmsd < 54.841 and attr rmsd > 53.841)) ( attr rmsd < 5.171 and attr rmsd > 5.071) 6 6 0 peak 1386 ppm1 5.157 ppm2 5.121 volume 0.5073 assi ((( attr rmsd < 5.193) and (attr rmsd > 5.093)) and bondedto(attr rmsd < 54.891 and attr rmsd > 53.891)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 1387 ppm1 5.143 ppm2 4.621 volume 0.2271 assi ((( attr rmsd < 5.173) and (attr rmsd > 5.073)) and bondedto(attr rmsd < 54.868 and attr rmsd > 53.868)) ( attr rmsd < 5.128 and attr rmsd > 5.028) 6 6 0 peak 1388 ppm1 5.123 ppm2 5.078 volume 0.5770 assi ((( attr rmsd < 4.963) and (attr rmsd > 4.863)) and bondedto(attr rmsd < 54.864 and attr rmsd > 53.864)) ( attr rmsd < 4.939 and attr rmsd > 4.839) 6 6 0 peak 1389 ppm1 4.913 ppm2 4.889 volume 1.7582 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 54.883 and attr rmsd > 53.883)) ( attr rmsd < 4.776 and attr rmsd > 4.676) 6 6 0 peak 1390 ppm1 4.847 ppm2 4.726 volume 2.8557 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 54.882 and attr rmsd > 53.882)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 1391 ppm1 4.836 ppm2 3.596 volume 0.1464 assi ((( attr rmsd < 4.868) and (attr rmsd > 4.768)) and bondedto(attr rmsd < 54.843 and attr rmsd > 53.843)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 1392 ppm1 4.818 ppm2 4.934 volume 0.3764 assi ((( attr rmsd < 4.795) and (attr rmsd > 4.695)) and bondedto(attr rmsd < 54.824 and attr rmsd > 53.824)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 1393 ppm1 4.745 ppm2 4.867 volume 0.2164 assi ((( attr rmsd < 4.756) and (attr rmsd > 4.656)) and bondedto(attr rmsd < 54.865 and attr rmsd > 53.865)) ( attr rmsd < 3.650 and attr rmsd > 3.550) 6 6 0 peak 1394 ppm1 4.706 ppm2 3.600 volume 0.2083 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 54.844 and attr rmsd > 53.844)) ( attr rmsd < 4.701 and attr rmsd > 4.601) 6 6 0 peak 1395 ppm1 4.690 ppm2 4.651 volume 3.9727 assi ((( attr rmsd < 3.962) and (attr rmsd > 3.862)) and bondedto(attr rmsd < 54.885 and attr rmsd > 53.885)) ( attr rmsd < 3.955 and attr rmsd > 3.855) 6 6 0 peak 1396 ppm1 3.912 ppm2 3.905 volume 0.1688 assi ((( attr rmsd < 3.836) and (attr rmsd > 3.736)) and bondedto(attr rmsd < 54.946 and attr rmsd > 53.946)) ( attr rmsd < 3.736 and attr rmsd > 3.636) 6 6 0 peak 1397 ppm1 3.786 ppm2 3.686 volume 0.6900 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 54.857 and attr rmsd > 53.857)) ( attr rmsd < 3.650 and attr rmsd > 3.550) 6 6 0 peak 1398 ppm1 3.677 ppm2 3.600 volume 5.1885 assi ((( attr rmsd < 3.667) and (attr rmsd > 3.567)) and bondedto(attr rmsd < 54.947 and attr rmsd > 53.947)) ( attr rmsd < 3.638 and attr rmsd > 3.538) 6 6 0 peak 1399 ppm1 3.617 ppm2 3.588 volume 2.2158 assi ((( attr rmsd < 3.598) and (attr rmsd > 3.498)) and bondedto(attr rmsd < 54.916 and attr rmsd > 53.916)) ( attr rmsd < 3.635 and attr rmsd > 3.535) 6 6 0 peak 1400 ppm1 3.548 ppm2 3.585 volume 1.0295 assi ((( attr rmsd < 3.036) and (attr rmsd > 2.936)) and bondedto(attr rmsd < 54.901 and attr rmsd > 53.901)) ( attr rmsd < 3.043 and attr rmsd > 2.943) 6 6 0 peak 1401 ppm1 2.986 ppm2 2.993 volume 1.3736 assi ((( attr rmsd < 4.531) and (attr rmsd > 4.431)) and bondedto(attr rmsd < 78.445 and attr rmsd > 77.445)) ( attr rmsd < 4.546 and attr rmsd > 4.446) 6 6 0 peak 11402 ppm1 4.481 ppm2 4.496 volume 0.6656 assi ((( attr rmsd < 4.531) and (attr rmsd > 4.431)) and bondedto(attr rmsd < 30.925 and attr rmsd > 29.925)) ( attr rmsd < 4.546 and attr rmsd > 4.446) 6 6 0 peak 21402 ppm1 4.481 ppm2 4.496 volume 0.6656 assi ((( attr rmsd < 4.368) and (attr rmsd > 4.268)) and bondedto(attr rmsd < 78.530 and attr rmsd > 77.530)) ( attr rmsd < 2.058 and attr rmsd > 1.958) 6 6 0 peak 11403 ppm1 4.318 ppm2 2.008 volume 0.1557 assi ((( attr rmsd < 4.368) and (attr rmsd > 4.268)) and bondedto(attr rmsd < 31.010 and attr rmsd > 30.010)) ( attr rmsd < 2.058 and attr rmsd > 1.958) 6 6 0 peak 21403 ppm1 4.318 ppm2 2.008 volume 0.1557 assi ((( attr rmsd < 4.365) and (attr rmsd > 4.265)) and bondedto(attr rmsd < 78.521 and attr rmsd > 77.521)) ( attr rmsd < 2.017 and attr rmsd > 1.917) 6 6 0 peak 11404 ppm1 4.315 ppm2 1.967 volume 0.1620 assi ((( attr rmsd < 4.365) and (attr rmsd > 4.265)) and bondedto(attr rmsd < 31.001 and attr rmsd > 30.001)) ( attr rmsd < 2.017 and attr rmsd > 1.917) 6 6 0 peak 21404 ppm1 4.315 ppm2 1.967 volume 0.1620 assi ((( attr rmsd < 4.312) and (attr rmsd > 4.212)) and bondedto(attr rmsd < 78.401 and attr rmsd > 77.401)) ( attr rmsd < 4.309 and attr rmsd > 4.209) 6 6 0 peak 11405 ppm1 4.262 ppm2 4.259 volume 0.4083 assi ((( attr rmsd < 4.312) and (attr rmsd > 4.212)) and bondedto(attr rmsd < 30.881 and attr rmsd > 29.881)) ( attr rmsd < 4.309 and attr rmsd > 4.209) 6 6 0 peak 21405 ppm1 4.262 ppm2 4.259 volume 0.4083 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 78.574 and attr rmsd > 77.574)) ( attr rmsd < 3.565 and attr rmsd > 3.465) 6 6 0 peak 11406 ppm1 3.810 ppm2 3.515 volume 0.4009 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 31.054 and attr rmsd > 30.054)) ( attr rmsd < 3.565 and attr rmsd > 3.465) 6 6 0 peak 21406 ppm1 3.810 ppm2 3.515 volume 0.4009 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 78.469 and attr rmsd > 77.469)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 11407 ppm1 3.582 ppm2 3.594 volume 1.3739 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 30.949 and attr rmsd > 29.949)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 21407 ppm1 3.582 ppm2 3.594 volume 1.3739 assi ((( attr rmsd < 2.264) and (attr rmsd > 2.164)) and bondedto(attr rmsd < 78.440 and attr rmsd > 77.440)) ( attr rmsd < 4.228 and attr rmsd > 4.128) 6 6 0 peak 11408 ppm1 2.214 ppm2 4.178 volume 0.3180 assi ((( attr rmsd < 2.264) and (attr rmsd > 2.164)) and bondedto(attr rmsd < 30.920 and attr rmsd > 29.920)) ( attr rmsd < 4.228 and attr rmsd > 4.128) 6 6 0 peak 21408 ppm1 2.214 ppm2 4.178 volume 0.3180 assi ((( attr rmsd < 2.267) and (attr rmsd > 2.167)) and bondedto(attr rmsd < 78.463 and attr rmsd > 77.463)) ( attr rmsd < 2.037 and attr rmsd > 1.937) 6 6 0 peak 11409 ppm1 2.217 ppm2 1.987 volume 0.9918 assi ((( attr rmsd < 2.267) and (attr rmsd > 2.167)) and bondedto(attr rmsd < 30.943 and attr rmsd > 29.943)) ( attr rmsd < 2.037 and attr rmsd > 1.937) 6 6 0 peak 21409 ppm1 2.217 ppm2 1.987 volume 0.9918 assi ((( attr rmsd < 2.259) and (attr rmsd > 2.159)) and bondedto(attr rmsd < 78.457 and attr rmsd > 77.457)) ( attr rmsd < 0.974 and attr rmsd > 0.874) 6 6 0 peak 11410 ppm1 2.209 ppm2 0.924 volume 0.2177 assi ((( attr rmsd < 2.259) and (attr rmsd > 2.159)) and bondedto(attr rmsd < 30.937 and attr rmsd > 29.937)) ( attr rmsd < 0.974 and attr rmsd > 0.874) 6 6 0 peak 21410 ppm1 2.209 ppm2 0.924 volume 0.2177 assi ((( attr rmsd < 2.073) and (attr rmsd > 1.973)) and bondedto(attr rmsd < 78.395 and attr rmsd > 77.395)) ( attr rmsd < 4.366 and attr rmsd > 4.266) 6 6 0 peak 11411 ppm1 2.023 ppm2 4.316 volume 0.2669 assi ((( attr rmsd < 2.073) and (attr rmsd > 1.973)) and bondedto(attr rmsd < 30.875 and attr rmsd > 29.875)) ( attr rmsd < 4.366 and attr rmsd > 4.266) 6 6 0 peak 21411 ppm1 2.023 ppm2 4.316 volume 0.2669 assi ((( attr rmsd < 2.072) and (attr rmsd > 1.972)) and bondedto(attr rmsd < 78.431 and attr rmsd > 77.431)) ( attr rmsd < 2.303 and attr rmsd > 2.203) 6 6 0 peak 11412 ppm1 2.022 ppm2 2.253 volume 2.2003 assi ((( attr rmsd < 2.072) and (attr rmsd > 1.972)) and bondedto(attr rmsd < 30.911 and attr rmsd > 29.911)) ( attr rmsd < 2.303 and attr rmsd > 2.203) 6 6 0 peak 21412 ppm1 2.022 ppm2 2.253 volume 2.2003 assi ((( attr rmsd < 2.032) and (attr rmsd > 1.932)) and bondedto(attr rmsd < 78.498 and attr rmsd > 77.498)) ( attr rmsd < 0.977 and attr rmsd > 0.877) 6 6 0 peak 11413 ppm1 1.982 ppm2 0.927 volume 0.2857 assi ((( attr rmsd < 2.032) and (attr rmsd > 1.932)) and bondedto(attr rmsd < 30.978 and attr rmsd > 29.978)) ( attr rmsd < 0.977 and attr rmsd > 0.877) 6 6 0 peak 21413 ppm1 1.982 ppm2 0.927 volume 0.2857 assi ((( attr rmsd < 1.999) and (attr rmsd > 1.899)) and bondedto(attr rmsd < 78.445 and attr rmsd > 77.445)) ( attr rmsd < 2.299 and attr rmsd > 2.199) 6 6 0 peak 11414 ppm1 1.949 ppm2 2.249 volume 2.5324 assi ((( attr rmsd < 1.999) and (attr rmsd > 1.899)) and bondedto(attr rmsd < 30.925 and attr rmsd > 29.925)) ( attr rmsd < 2.299 and attr rmsd > 2.199) 6 6 0 peak 21414 ppm1 1.949 ppm2 2.249 volume 2.5324 assi ((( attr rmsd < 1.988) and (attr rmsd > 1.888)) and bondedto(attr rmsd < 78.473 and attr rmsd > 77.473)) ( attr rmsd < 4.358 and attr rmsd > 4.258) 6 6 0 peak 11415 ppm1 1.938 ppm2 4.308 volume 0.3370 assi ((( attr rmsd < 1.988) and (attr rmsd > 1.888)) and bondedto(attr rmsd < 30.953 and attr rmsd > 29.953)) ( attr rmsd < 4.358 and attr rmsd > 4.258) 6 6 0 peak 21415 ppm1 1.938 ppm2 4.308 volume 0.3370 assi ((( attr rmsd < 1.666) and (attr rmsd > 1.566)) and bondedto(attr rmsd < 78.517 and attr rmsd > 77.517)) ( attr rmsd < 1.677 and attr rmsd > 1.577) 6 6 0 peak 11416 ppm1 1.616 ppm2 1.627 volume 1.0103 assi ((( attr rmsd < 1.666) and (attr rmsd > 1.566)) and bondedto(attr rmsd < 30.997 and attr rmsd > 29.997)) ( attr rmsd < 1.677 and attr rmsd > 1.577) 6 6 0 peak 21416 ppm1 1.616 ppm2 1.627 volume 1.0103 assi ((( attr rmsd < 1.669) and (attr rmsd > 1.569)) and bondedto(attr rmsd < 78.420 and attr rmsd > 77.420)) ( attr rmsd < 0.826 and attr rmsd > 0.726) 6 6 0 peak 11417 ppm1 1.619 ppm2 0.776 volume 0.1590 assi ((( attr rmsd < 1.669) and (attr rmsd > 1.569)) and bondedto(attr rmsd < 30.900 and attr rmsd > 29.900)) ( attr rmsd < 0.826 and attr rmsd > 0.726) 6 6 0 peak 21417 ppm1 1.619 ppm2 0.776 volume 0.1590 assi ((( attr rmsd < 4.916) and (attr rmsd > 4.816)) and bondedto(attr rmsd < 54.755 and attr rmsd > 53.755)) ( attr rmsd < 4.901 and attr rmsd > 4.801) 6 6 0 peak 1418 ppm1 4.866 ppm2 4.851 volume 3.1164 assi ((( attr rmsd < 4.747) and (attr rmsd > 4.647)) and bondedto(attr rmsd < 54.651 and attr rmsd > 53.651)) ( attr rmsd < 2.035 and attr rmsd > 1.935) 6 6 0 peak 1419 ppm1 4.697 ppm2 1.985 volume 0.3901 assi ((( attr rmsd < 4.692) and (attr rmsd > 4.592)) and bondedto(attr rmsd < 54.689 and attr rmsd > 53.689)) ( attr rmsd < 4.553 and attr rmsd > 4.453) 6 6 0 peak 1420 ppm1 4.642 ppm2 4.503 volume 0.1453 assi ((( attr rmsd < 2.633) and (attr rmsd > 2.533)) and bondedto(attr rmsd < 54.707 and attr rmsd > 53.707)) ( attr rmsd < 2.633 and attr rmsd > 2.533) 6 6 0 peak 1421 ppm1 2.583 ppm2 2.583 volume 0.1876 assi ((( attr rmsd < 2.071) and (attr rmsd > 1.971)) and bondedto(attr rmsd < 54.682 and attr rmsd > 53.682)) ( attr rmsd < 1.890 and attr rmsd > 1.790) 6 6 0 peak 1422 ppm1 2.021 ppm2 1.840 volume 0.5487 assi ((( attr rmsd < 1.995) and (attr rmsd > 1.895)) and bondedto(attr rmsd < 54.693 and attr rmsd > 53.693)) ( attr rmsd < 0.854 and attr rmsd > 0.754) 6 6 0 peak 1423 ppm1 1.945 ppm2 0.804 volume 0.1863 assi ((( attr rmsd < 4.414) and (attr rmsd > 4.314)) and bondedto(attr rmsd < 78.220 and attr rmsd > 77.220)) ( attr rmsd < 4.423 and attr rmsd > 4.323) 6 6 0 peak 11424 ppm1 4.364 ppm2 4.373 volume 1.2212 assi ((( attr rmsd < 4.414) and (attr rmsd > 4.314)) and bondedto(attr rmsd < 30.700 and attr rmsd > 29.700)) ( attr rmsd < 4.423 and attr rmsd > 4.323) 6 6 0 peak 21424 ppm1 4.364 ppm2 4.373 volume 1.2212 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 78.247 and attr rmsd > 77.247)) ( attr rmsd < 3.730 and attr rmsd > 3.630) 6 6 0 peak 11425 ppm1 3.812 ppm2 3.680 volume 0.6535 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 30.727 and attr rmsd > 29.727)) ( attr rmsd < 3.730 and attr rmsd > 3.630) 6 6 0 peak 21425 ppm1 3.812 ppm2 3.680 volume 0.6535 assi ((( attr rmsd < 2.055) and (attr rmsd > 1.955)) and bondedto(attr rmsd < 78.354 and attr rmsd > 77.354)) ( attr rmsd < 2.043 and attr rmsd > 1.943) 6 6 0 peak 11426 ppm1 2.005 ppm2 1.993 volume 6.7662 assi ((( attr rmsd < 2.055) and (attr rmsd > 1.955)) and bondedto(attr rmsd < 30.834 and attr rmsd > 29.834)) ( attr rmsd < 2.043 and attr rmsd > 1.943) 6 6 0 peak 21426 ppm1 2.005 ppm2 1.993 volume 6.7662 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 78.324 and attr rmsd > 77.324)) ( attr rmsd < 4.227 and attr rmsd > 4.127) 6 6 0 peak 11427 ppm1 1.980 ppm2 4.177 volume 0.6013 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 30.804 and attr rmsd > 29.804)) ( attr rmsd < 4.227 and attr rmsd > 4.127) 6 6 0 peak 21427 ppm1 1.980 ppm2 4.177 volume 0.6013 assi ((( attr rmsd < 2.024) and (attr rmsd > 1.924)) and bondedto(attr rmsd < 78.372 and attr rmsd > 77.372)) ( attr rmsd < 2.517 and attr rmsd > 2.417) 6 6 0 peak 11428 ppm1 1.974 ppm2 2.467 volume 0.3647 assi ((( attr rmsd < 2.024) and (attr rmsd > 1.924)) and bondedto(attr rmsd < 30.852 and attr rmsd > 29.852)) ( attr rmsd < 2.517 and attr rmsd > 2.417) 6 6 0 peak 21428 ppm1 1.974 ppm2 2.467 volume 0.3647 assi ((( attr rmsd < 2.004) and (attr rmsd > 1.904)) and bondedto(attr rmsd < 78.373 and attr rmsd > 77.373)) ( attr rmsd < 2.036 and attr rmsd > 1.936) 6 6 0 peak 11429 ppm1 1.954 ppm2 1.986 volume 7.8057 assi ((( attr rmsd < 2.004) and (attr rmsd > 1.904)) and bondedto(attr rmsd < 30.853 and attr rmsd > 29.853)) ( attr rmsd < 2.036 and attr rmsd > 1.936) 6 6 0 peak 21429 ppm1 1.954 ppm2 1.986 volume 7.8057 assi ((( attr rmsd < 1.777) and (attr rmsd > 1.677)) and bondedto(attr rmsd < 78.317 and attr rmsd > 77.317)) ( attr rmsd < 2.838 and attr rmsd > 2.738) 6 6 0 peak 11430 ppm1 1.727 ppm2 2.788 volume 0.1610 assi ((( attr rmsd < 1.777) and (attr rmsd > 1.677)) and bondedto(attr rmsd < 30.797 and attr rmsd > 29.797)) ( attr rmsd < 2.838 and attr rmsd > 2.738) 6 6 0 peak 21430 ppm1 1.727 ppm2 2.788 volume 0.1610 assi ((( attr rmsd < 1.778) and (attr rmsd > 1.678)) and bondedto(attr rmsd < 78.275 and attr rmsd > 77.275)) ( attr rmsd < 1.673 and attr rmsd > 1.573) 6 6 0 peak 11431 ppm1 1.728 ppm2 1.623 volume 1.6153 assi ((( attr rmsd < 1.778) and (attr rmsd > 1.678)) and bondedto(attr rmsd < 30.755 and attr rmsd > 29.755)) ( attr rmsd < 1.673 and attr rmsd > 1.573) 6 6 0 peak 21431 ppm1 1.728 ppm2 1.623 volume 1.6153 assi ((( attr rmsd < 1.775) and (attr rmsd > 1.675)) and bondedto(attr rmsd < 78.373 and attr rmsd > 77.373)) ( attr rmsd < 0.987 and attr rmsd > 0.887) 6 6 0 peak 11432 ppm1 1.725 ppm2 0.937 volume 0.5268 assi ((( attr rmsd < 1.775) and (attr rmsd > 1.675)) and bondedto(attr rmsd < 30.853 and attr rmsd > 29.853)) ( attr rmsd < 0.987 and attr rmsd > 0.887) 6 6 0 peak 21432 ppm1 1.725 ppm2 0.937 volume 0.5268 assi ((( attr rmsd < 1.673) and (attr rmsd > 1.573)) and bondedto(attr rmsd < 78.354 and attr rmsd > 77.354)) ( attr rmsd < 2.836 and attr rmsd > 2.736) 6 6 0 peak 11433 ppm1 1.623 ppm2 2.786 volume 0.1758 assi ((( attr rmsd < 1.673) and (attr rmsd > 1.573)) and bondedto(attr rmsd < 30.834 and attr rmsd > 29.834)) ( attr rmsd < 2.836 and attr rmsd > 2.736) 6 6 0 peak 21433 ppm1 1.623 ppm2 2.786 volume 0.1758 assi ((( attr rmsd < 1.665) and (attr rmsd > 1.565)) and bondedto(attr rmsd < 78.304 and attr rmsd > 77.304)) ( attr rmsd < 1.784 and attr rmsd > 1.684) 6 6 0 peak 11434 ppm1 1.615 ppm2 1.734 volume 1.2506 assi ((( attr rmsd < 1.665) and (attr rmsd > 1.565)) and bondedto(attr rmsd < 30.784 and attr rmsd > 29.784)) ( attr rmsd < 1.784 and attr rmsd > 1.684) 6 6 0 peak 21434 ppm1 1.615 ppm2 1.734 volume 1.2506 assi ((( attr rmsd < 1.667) and (attr rmsd > 1.567)) and bondedto(attr rmsd < 78.321 and attr rmsd > 77.321)) ( attr rmsd < 0.986 and attr rmsd > 0.886) 6 6 0 peak 11435 ppm1 1.617 ppm2 0.936 volume 0.5816 assi ((( attr rmsd < 1.667) and (attr rmsd > 1.567)) and bondedto(attr rmsd < 30.801 and attr rmsd > 29.801)) ( attr rmsd < 0.986 and attr rmsd > 0.886) 6 6 0 peak 21435 ppm1 1.617 ppm2 0.936 volume 0.5816 assi ((( attr rmsd < 1.657) and (attr rmsd > 1.557)) and bondedto(attr rmsd < 78.365 and attr rmsd > 77.365)) ( attr rmsd < 1.964 and attr rmsd > 1.864) 6 6 0 peak 11436 ppm1 1.607 ppm2 1.914 volume 0.1751 assi ((( attr rmsd < 1.657) and (attr rmsd > 1.557)) and bondedto(attr rmsd < 30.845 and attr rmsd > 29.845)) ( attr rmsd < 1.964 and attr rmsd > 1.864) 6 6 0 peak 21436 ppm1 1.607 ppm2 1.914 volume 0.1751 assi ((( attr rmsd < 4.884) and (attr rmsd > 4.784)) and bondedto(attr rmsd < 54.580 and attr rmsd > 53.580)) ( attr rmsd < 2.051 and attr rmsd > 1.951) 6 6 0 peak 1437 ppm1 4.834 ppm2 2.001 volume 0.3677 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 54.569 and attr rmsd > 53.569)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 1438 ppm1 3.812 ppm2 3.594 volume 1.0493 assi ((( attr rmsd < 3.635) and (attr rmsd > 3.535)) and bondedto(attr rmsd < 54.574 and attr rmsd > 53.574)) ( attr rmsd < 3.728 and attr rmsd > 3.628) 6 6 0 peak 1439 ppm1 3.585 ppm2 3.678 volume 0.6203 assi ((( attr rmsd < 2.531) and (attr rmsd > 2.431)) and bondedto(attr rmsd < 54.584 and attr rmsd > 53.584)) ( attr rmsd < 2.540 and attr rmsd > 2.440) 6 6 0 peak 1440 ppm1 2.481 ppm2 2.490 volume 0.2462 assi ((( attr rmsd < 2.073) and (attr rmsd > 1.973)) and bondedto(attr rmsd < 54.524 and attr rmsd > 53.524)) ( attr rmsd < 1.471 and attr rmsd > 1.371) 6 6 0 peak 1441 ppm1 2.023 ppm2 1.421 volume 0.1766 assi ((( attr rmsd < 2.065) and (attr rmsd > 1.965)) and bondedto(attr rmsd < 54.596 and attr rmsd > 53.596)) ( attr rmsd < 1.727 and attr rmsd > 1.627) 6 6 0 peak 1442 ppm1 2.015 ppm2 1.677 volume 0.2446 assi ((( attr rmsd < 2.067) and (attr rmsd > 1.967)) and bondedto(attr rmsd < 54.566 and attr rmsd > 53.566)) ( attr rmsd < 0.861 and attr rmsd > 0.761) 6 6 0 peak 1443 ppm1 2.017 ppm2 0.811 volume 0.1647 assi ((( attr rmsd < 2.060) and (attr rmsd > 1.960)) and bondedto(attr rmsd < 54.530 and attr rmsd > 53.530)) ( attr rmsd < 0.710 and attr rmsd > 0.610) 6 6 0 peak 1444 ppm1 2.010 ppm2 0.660 volume 0.2184 assi ((( attr rmsd < 2.003) and (attr rmsd > 1.903)) and bondedto(attr rmsd < 54.618 and attr rmsd > 53.618)) ( attr rmsd < 1.885 and attr rmsd > 1.785) 6 6 0 peak 1445 ppm1 1.953 ppm2 1.835 volume 0.4178 assi ((( attr rmsd < 2.004) and (attr rmsd > 1.904)) and bondedto(attr rmsd < 54.609 and attr rmsd > 53.609)) ( attr rmsd < 1.724 and attr rmsd > 1.624) 6 6 0 peak 1446 ppm1 1.954 ppm2 1.674 volume 0.2225 assi ((( attr rmsd < 2.000) and (attr rmsd > 1.900)) and bondedto(attr rmsd < 54.573 and attr rmsd > 53.573)) ( attr rmsd < 1.441 and attr rmsd > 1.341) 6 6 0 peak 1447 ppm1 1.950 ppm2 1.391 volume 0.2302 assi ((( attr rmsd < 2.004) and (attr rmsd > 1.904)) and bondedto(attr rmsd < 54.616 and attr rmsd > 53.616)) ( attr rmsd < 0.697 and attr rmsd > 0.597) 6 6 0 peak 1448 ppm1 1.954 ppm2 0.647 volume 0.2435 assi ((( attr rmsd < 4.196) and (attr rmsd > 4.096)) and bondedto(attr rmsd < 78.089 and attr rmsd > 77.089)) ( attr rmsd < 4.196 and attr rmsd > 4.096) 6 6 0 peak 11449 ppm1 4.146 ppm2 4.146 volume 0.3696 assi ((( attr rmsd < 4.196) and (attr rmsd > 4.096)) and bondedto(attr rmsd < 30.569 and attr rmsd > 29.569)) ( attr rmsd < 4.196 and attr rmsd > 4.096) 6 6 0 peak 21449 ppm1 4.146 ppm2 4.146 volume 0.3696 assi ((( attr rmsd < 2.322) and (attr rmsd > 2.222)) and bondedto(attr rmsd < 78.075 and attr rmsd > 77.075)) ( attr rmsd < 0.899 and attr rmsd > 0.799) 6 6 0 peak 11450 ppm1 2.272 ppm2 0.849 volume 0.1764 assi ((( attr rmsd < 2.322) and (attr rmsd > 2.222)) and bondedto(attr rmsd < 30.555 and attr rmsd > 29.555)) ( attr rmsd < 0.899 and attr rmsd > 0.799) 6 6 0 peak 21450 ppm1 2.272 ppm2 0.849 volume 0.1764 assi ((( attr rmsd < 2.324) and (attr rmsd > 2.224)) and bondedto(attr rmsd < 78.063 and attr rmsd > 77.063)) ( attr rmsd < 0.777 and attr rmsd > 0.677) 6 6 0 peak 11451 ppm1 2.274 ppm2 0.727 volume 0.6787 assi ((( attr rmsd < 2.324) and (attr rmsd > 2.224)) and bondedto(attr rmsd < 30.543 and attr rmsd > 29.543)) ( attr rmsd < 0.777 and attr rmsd > 0.677) 6 6 0 peak 21451 ppm1 2.274 ppm2 0.727 volume 0.6787 assi ((( attr rmsd < 2.323) and (attr rmsd > 2.223)) and bondedto(attr rmsd < 78.083 and attr rmsd > 77.083)) ( attr rmsd < 0.560 and attr rmsd > 0.460) 6 6 0 peak 11452 ppm1 2.273 ppm2 0.510 volume 0.4861 assi ((( attr rmsd < 2.323) and (attr rmsd > 2.223)) and bondedto(attr rmsd < 30.563 and attr rmsd > 29.563)) ( attr rmsd < 0.560 and attr rmsd > 0.460) 6 6 0 peak 21452 ppm1 2.273 ppm2 0.510 volume 0.4861 assi ((( attr rmsd < 2.113) and (attr rmsd > 2.013)) and bondedto(attr rmsd < 78.132 and attr rmsd > 77.132)) ( attr rmsd < 4.284 and attr rmsd > 4.184) 6 6 0 peak 11453 ppm1 2.063 ppm2 4.234 volume 0.2211 assi ((( attr rmsd < 2.113) and (attr rmsd > 2.013)) and bondedto(attr rmsd < 30.612 and attr rmsd > 29.612)) ( attr rmsd < 4.284 and attr rmsd > 4.184) 6 6 0 peak 21453 ppm1 2.063 ppm2 4.234 volume 0.2211 assi ((( attr rmsd < 2.054) and (attr rmsd > 1.954)) and bondedto(attr rmsd < 78.110 and attr rmsd > 77.110)) ( attr rmsd < 3.263 and attr rmsd > 3.163) 6 6 0 peak 11454 ppm1 2.004 ppm2 3.213 volume 0.1505 assi ((( attr rmsd < 2.054) and (attr rmsd > 1.954)) and bondedto(attr rmsd < 30.590 and attr rmsd > 29.590)) ( attr rmsd < 3.263 and attr rmsd > 3.163) 6 6 0 peak 21454 ppm1 2.004 ppm2 3.213 volume 0.1505 assi ((( attr rmsd < 2.014) and (attr rmsd > 1.914)) and bondedto(attr rmsd < 78.114 and attr rmsd > 77.114)) ( attr rmsd < 3.252 and attr rmsd > 3.152) 6 6 0 peak 11455 ppm1 1.964 ppm2 3.202 volume 0.1457 assi ((( attr rmsd < 2.014) and (attr rmsd > 1.914)) and bondedto(attr rmsd < 30.594 and attr rmsd > 29.594)) ( attr rmsd < 3.252 and attr rmsd > 3.152) 6 6 0 peak 21455 ppm1 1.964 ppm2 3.202 volume 0.1457 assi ((( attr rmsd < 2.018) and (attr rmsd > 1.918)) and bondedto(attr rmsd < 78.146 and attr rmsd > 77.146)) ( attr rmsd < 1.635 and attr rmsd > 1.535) 6 6 0 peak 11456 ppm1 1.968 ppm2 1.585 volume 0.2123 assi ((( attr rmsd < 2.018) and (attr rmsd > 1.918)) and bondedto(attr rmsd < 30.626 and attr rmsd > 29.626)) ( attr rmsd < 1.635 and attr rmsd > 1.535) 6 6 0 peak 21456 ppm1 1.968 ppm2 1.585 volume 0.2123 assi ((( attr rmsd < 2.006) and (attr rmsd > 1.906)) and bondedto(attr rmsd < 78.099 and attr rmsd > 77.099)) ( attr rmsd < 4.089 and attr rmsd > 3.989) 6 6 0 peak 11457 ppm1 1.956 ppm2 4.039 volume 0.3601 assi ((( attr rmsd < 2.006) and (attr rmsd > 1.906)) and bondedto(attr rmsd < 30.579 and attr rmsd > 29.579)) ( attr rmsd < 4.089 and attr rmsd > 3.989) 6 6 0 peak 21457 ppm1 1.956 ppm2 4.039 volume 0.3601 assi ((( attr rmsd < 3.244) and (attr rmsd > 3.144)) and bondedto(attr rmsd < 54.318 and attr rmsd > 53.318)) ( attr rmsd < 3.255 and attr rmsd > 3.155) 6 6 0 peak 1458 ppm1 3.194 ppm2 3.205 volume 1.1235 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 54.407 and attr rmsd > 53.407)) ( attr rmsd < 1.856 and attr rmsd > 1.756) 6 6 0 peak 1459 ppm1 1.777 ppm2 1.806 volume 0.1893 assi ((( attr rmsd < 1.727) and (attr rmsd > 1.627)) and bondedto(attr rmsd < 54.421 and attr rmsd > 53.421)) ( attr rmsd < 1.730 and attr rmsd > 1.630) 6 6 0 peak 1460 ppm1 1.677 ppm2 1.680 volume 1.7470 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 77.932 and attr rmsd > 76.932)) ( attr rmsd < 1.855 and attr rmsd > 1.755) 6 6 0 peak 11461 ppm1 4.690 ppm2 1.805 volume 0.1473 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 30.412 and attr rmsd > 29.412)) ( attr rmsd < 1.855 and attr rmsd > 1.755) 6 6 0 peak 21461 ppm1 4.690 ppm2 1.805 volume 0.1473 assi ((( attr rmsd < 3.049) and (attr rmsd > 2.949)) and bondedto(attr rmsd < 77.883 and attr rmsd > 76.883)) ( attr rmsd < 3.055 and attr rmsd > 2.955) 6 6 0 peak 11462 ppm1 2.999 ppm2 3.005 volume 0.8038 assi ((( attr rmsd < 3.049) and (attr rmsd > 2.949)) and bondedto(attr rmsd < 30.363 and attr rmsd > 29.363)) ( attr rmsd < 3.055 and attr rmsd > 2.955) 6 6 0 peak 21462 ppm1 2.999 ppm2 3.005 volume 0.8038 assi ((( attr rmsd < 2.359) and (attr rmsd > 2.259)) and bondedto(attr rmsd < 77.921 and attr rmsd > 76.921)) ( attr rmsd < 2.540 and attr rmsd > 2.440) 6 6 0 peak 11463 ppm1 2.309 ppm2 2.490 volume 0.7815 assi ((( attr rmsd < 2.359) and (attr rmsd > 2.259)) and bondedto(attr rmsd < 30.401 and attr rmsd > 29.401)) ( attr rmsd < 2.540 and attr rmsd > 2.440) 6 6 0 peak 21463 ppm1 2.309 ppm2 2.490 volume 0.7815 assi ((( attr rmsd < 2.351) and (attr rmsd > 2.251)) and bondedto(attr rmsd < 77.882 and attr rmsd > 76.882)) ( attr rmsd < 4.412 and attr rmsd > 4.312) 6 6 0 peak 11464 ppm1 2.301 ppm2 4.362 volume 0.3649 assi ((( attr rmsd < 2.351) and (attr rmsd > 2.251)) and bondedto(attr rmsd < 30.362 and attr rmsd > 29.362)) ( attr rmsd < 4.412 and attr rmsd > 4.312) 6 6 0 peak 21464 ppm1 2.301 ppm2 4.362 volume 0.3649 assi ((( attr rmsd < 2.339) and (attr rmsd > 2.239)) and bondedto(attr rmsd < 77.937 and attr rmsd > 76.937)) ( attr rmsd < 2.352 and attr rmsd > 2.252) 6 6 0 peak 11465 ppm1 2.289 ppm2 2.302 volume 2.9955 assi ((( attr rmsd < 2.339) and (attr rmsd > 2.239)) and bondedto(attr rmsd < 30.417 and attr rmsd > 29.417)) ( attr rmsd < 2.352 and attr rmsd > 2.252) 6 6 0 peak 21465 ppm1 2.289 ppm2 2.302 volume 2.9955 assi ((( attr rmsd < 2.326) and (attr rmsd > 2.226)) and bondedto(attr rmsd < 77.999 and attr rmsd > 76.999)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 11466 ppm1 2.276 ppm2 3.664 volume 0.1889 assi ((( attr rmsd < 2.326) and (attr rmsd > 2.226)) and bondedto(attr rmsd < 30.479 and attr rmsd > 29.479)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 21466 ppm1 2.276 ppm2 3.664 volume 0.1889 assi ((( attr rmsd < 2.330) and (attr rmsd > 2.230)) and bondedto(attr rmsd < 77.967 and attr rmsd > 76.967)) ( attr rmsd < 2.975 and attr rmsd > 2.875) 6 6 0 peak 11467 ppm1 2.280 ppm2 2.925 volume 0.1528 assi ((( attr rmsd < 2.330) and (attr rmsd > 2.230)) and bondedto(attr rmsd < 30.447 and attr rmsd > 29.447)) ( attr rmsd < 2.975 and attr rmsd > 2.875) 6 6 0 peak 21467 ppm1 2.280 ppm2 2.925 volume 0.1528 assi ((( attr rmsd < 1.994) and (attr rmsd > 1.894)) and bondedto(attr rmsd < 78.006 and attr rmsd > 77.006)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 11468 ppm1 1.944 ppm2 1.761 volume 0.3751 assi ((( attr rmsd < 1.994) and (attr rmsd > 1.894)) and bondedto(attr rmsd < 30.486 and attr rmsd > 29.486)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 21468 ppm1 1.944 ppm2 1.761 volume 0.3751 assi ((( attr rmsd < 1.871) and (attr rmsd > 1.771)) and bondedto(attr rmsd < 77.878 and attr rmsd > 76.878)) ( attr rmsd < 3.713 and attr rmsd > 3.613) 6 6 0 peak 11469 ppm1 1.821 ppm2 3.663 volume 0.2176 assi ((( attr rmsd < 1.871) and (attr rmsd > 1.771)) and bondedto(attr rmsd < 30.358 and attr rmsd > 29.358)) ( attr rmsd < 3.713 and attr rmsd > 3.613) 6 6 0 peak 21469 ppm1 1.821 ppm2 3.663 volume 0.2176 assi ((( attr rmsd < 1.867) and (attr rmsd > 1.767)) and bondedto(attr rmsd < 77.874 and attr rmsd > 76.874)) ( attr rmsd < 3.343 and attr rmsd > 3.243) 6 6 0 peak 11470 ppm1 1.817 ppm2 3.293 volume 0.3170 assi ((( attr rmsd < 1.867) and (attr rmsd > 1.767)) and bondedto(attr rmsd < 30.354 and attr rmsd > 29.354)) ( attr rmsd < 3.343 and attr rmsd > 3.243) 6 6 0 peak 21470 ppm1 1.817 ppm2 3.293 volume 0.3170 assi ((( attr rmsd < 1.869) and (attr rmsd > 1.769)) and bondedto(attr rmsd < 77.858 and attr rmsd > 76.858)) ( attr rmsd < 1.641 and attr rmsd > 1.541) 6 6 0 peak 11471 ppm1 1.819 ppm2 1.591 volume 0.5341 assi ((( attr rmsd < 1.869) and (attr rmsd > 1.769)) and bondedto(attr rmsd < 30.338 and attr rmsd > 29.338)) ( attr rmsd < 1.641 and attr rmsd > 1.541) 6 6 0 peak 21471 ppm1 1.819 ppm2 1.591 volume 0.5341 assi ((( attr rmsd < 1.776) and (attr rmsd > 1.676)) and bondedto(attr rmsd < 77.861 and attr rmsd > 76.861)) ( attr rmsd < 3.716 and attr rmsd > 3.616) 6 6 0 peak 11472 ppm1 1.726 ppm2 3.666 volume 0.2724 assi ((( attr rmsd < 1.776) and (attr rmsd > 1.676)) and bondedto(attr rmsd < 30.341 and attr rmsd > 29.341)) ( attr rmsd < 3.716 and attr rmsd > 3.616) 6 6 0 peak 21472 ppm1 1.726 ppm2 3.666 volume 0.2724 assi ((( attr rmsd < 1.774) and (attr rmsd > 1.674)) and bondedto(attr rmsd < 77.858 and attr rmsd > 76.858)) ( attr rmsd < 3.343 and attr rmsd > 3.243) 6 6 0 peak 11473 ppm1 1.724 ppm2 3.293 volume 0.3580 assi ((( attr rmsd < 1.774) and (attr rmsd > 1.674)) and bondedto(attr rmsd < 30.338 and attr rmsd > 29.338)) ( attr rmsd < 3.343 and attr rmsd > 3.243) 6 6 0 peak 21473 ppm1 1.724 ppm2 3.293 volume 0.3580 assi ((( attr rmsd < 5.075) and (attr rmsd > 4.975)) and bondedto(attr rmsd < 54.078 and attr rmsd > 53.078)) ( attr rmsd < 3.647 and attr rmsd > 3.547) 6 6 0 peak 1474 ppm1 5.025 ppm2 3.597 volume 0.5674 assi ((( attr rmsd < 5.060) and (attr rmsd > 4.960)) and bondedto(attr rmsd < 54.091 and attr rmsd > 53.091)) ( attr rmsd < 2.361 and attr rmsd > 2.261) 6 6 0 peak 1475 ppm1 5.010 ppm2 2.311 volume 0.1482 assi ((( attr rmsd < 4.889) and (attr rmsd > 4.789)) and bondedto(attr rmsd < 54.108 and attr rmsd > 53.108)) ( attr rmsd < 2.346 and attr rmsd > 2.246) 6 6 0 peak 1476 ppm1 4.839 ppm2 2.296 volume 0.2454 assi ((( attr rmsd < 4.813) and (attr rmsd > 4.713)) and bondedto(attr rmsd < 54.097 and attr rmsd > 53.097)) ( attr rmsd < 2.349 and attr rmsd > 2.249) 6 6 0 peak 1477 ppm1 4.763 ppm2 2.299 volume 0.1790 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 54.124 and attr rmsd > 53.124)) ( attr rmsd < 2.348 and attr rmsd > 2.248) 6 6 0 peak 1478 ppm1 4.707 ppm2 2.298 volume 0.2517 assi ((( attr rmsd < 4.243) and (attr rmsd > 4.143)) and bondedto(attr rmsd < 54.099 and attr rmsd > 53.099)) ( attr rmsd < 4.247 and attr rmsd > 4.147) 6 6 0 peak 1479 ppm1 4.193 ppm2 4.197 volume 0.4439 assi ((( attr rmsd < 4.244) and (attr rmsd > 4.144)) and bondedto(attr rmsd < 54.202 and attr rmsd > 53.202)) ( attr rmsd < 1.493 and attr rmsd > 1.393) 6 6 0 peak 1480 ppm1 4.194 ppm2 1.443 volume 0.1463 assi ((( attr rmsd < 5.005) and (attr rmsd > 4.905)) and bondedto(attr rmsd < 77.799 and attr rmsd > 76.799)) ( attr rmsd < 4.778 and attr rmsd > 4.678) 6 6 0 peak 11481 ppm1 4.955 ppm2 4.728 volume 0.5696 assi ((( attr rmsd < 5.005) and (attr rmsd > 4.905)) and bondedto(attr rmsd < 30.279 and attr rmsd > 29.279)) ( attr rmsd < 4.778 and attr rmsd > 4.678) 6 6 0 peak 21481 ppm1 4.955 ppm2 4.728 volume 0.5696 assi ((( attr rmsd < 4.958) and (attr rmsd > 4.858)) and bondedto(attr rmsd < 77.812 and attr rmsd > 76.812)) ( attr rmsd < 4.761 and attr rmsd > 4.661) 6 6 0 peak 11482 ppm1 4.908 ppm2 4.711 volume 0.6568 assi ((( attr rmsd < 4.958) and (attr rmsd > 4.858)) and bondedto(attr rmsd < 30.292 and attr rmsd > 29.292)) ( attr rmsd < 4.761 and attr rmsd > 4.661) 6 6 0 peak 21482 ppm1 4.908 ppm2 4.711 volume 0.6568 assi ((( attr rmsd < 4.910) and (attr rmsd > 4.810)) and bondedto(attr rmsd < 77.763 and attr rmsd > 76.763)) ( attr rmsd < 5.046 and attr rmsd > 4.946) 6 6 0 peak 11483 ppm1 4.860 ppm2 4.996 volume 0.5801 assi ((( attr rmsd < 4.910) and (attr rmsd > 4.810)) and bondedto(attr rmsd < 30.243 and attr rmsd > 29.243)) ( attr rmsd < 5.046 and attr rmsd > 4.946) 6 6 0 peak 21483 ppm1 4.860 ppm2 4.996 volume 0.5801 assi ((( attr rmsd < 4.879) and (attr rmsd > 4.779)) and bondedto(attr rmsd < 77.809 and attr rmsd > 76.809)) ( attr rmsd < 4.913 and attr rmsd > 4.813) 6 6 0 peak 11484 ppm1 4.829 ppm2 4.863 volume 0.5600 assi ((( attr rmsd < 4.879) and (attr rmsd > 4.779)) and bondedto(attr rmsd < 30.289 and attr rmsd > 29.289)) ( attr rmsd < 4.913 and attr rmsd > 4.813) 6 6 0 peak 21484 ppm1 4.829 ppm2 4.863 volume 0.5600 assi ((( attr rmsd < 4.862) and (attr rmsd > 4.762)) and bondedto(attr rmsd < 77.706 and attr rmsd > 76.706)) ( attr rmsd < 4.832 and attr rmsd > 4.732) 6 6 0 peak 11485 ppm1 4.812 ppm2 4.782 volume 0.4054 assi ((( attr rmsd < 4.862) and (attr rmsd > 4.762)) and bondedto(attr rmsd < 30.186 and attr rmsd > 29.186)) ( attr rmsd < 4.832 and attr rmsd > 4.732) 6 6 0 peak 21485 ppm1 4.812 ppm2 4.782 volume 0.4054 assi ((( attr rmsd < 3.598) and (attr rmsd > 3.498)) and bondedto(attr rmsd < 77.715 and attr rmsd > 76.715)) ( attr rmsd < 3.731 and attr rmsd > 3.631) 6 6 0 peak 11486 ppm1 3.548 ppm2 3.681 volume 0.2471 assi ((( attr rmsd < 3.598) and (attr rmsd > 3.498)) and bondedto(attr rmsd < 30.195 and attr rmsd > 29.195)) ( attr rmsd < 3.731 and attr rmsd > 3.631) 6 6 0 peak 21486 ppm1 3.548 ppm2 3.681 volume 0.2471 assi ((( attr rmsd < 3.170) and (attr rmsd > 3.070)) and bondedto(attr rmsd < 77.721 and attr rmsd > 76.721)) ( attr rmsd < 3.049 and attr rmsd > 2.949) 6 6 0 peak 11487 ppm1 3.120 ppm2 2.999 volume 0.1677 assi ((( attr rmsd < 3.170) and (attr rmsd > 3.070)) and bondedto(attr rmsd < 30.201 and attr rmsd > 29.201)) ( attr rmsd < 3.049 and attr rmsd > 2.949) 6 6 0 peak 21487 ppm1 3.120 ppm2 2.999 volume 0.1677 assi ((( attr rmsd < 2.224) and (attr rmsd > 2.124)) and bondedto(attr rmsd < 77.716 and attr rmsd > 76.716)) ( attr rmsd < 4.106 and attr rmsd > 4.006) 6 6 0 peak 11488 ppm1 2.174 ppm2 4.056 volume 0.7988 assi ((( attr rmsd < 2.224) and (attr rmsd > 2.124)) and bondedto(attr rmsd < 30.196 and attr rmsd > 29.196)) ( attr rmsd < 4.106 and attr rmsd > 4.006) 6 6 0 peak 21488 ppm1 2.174 ppm2 4.056 volume 0.7988 assi ((( attr rmsd < 2.221) and (attr rmsd > 2.121)) and bondedto(attr rmsd < 77.798 and attr rmsd > 76.798)) ( attr rmsd < 2.484 and attr rmsd > 2.384) 6 6 0 peak 11489 ppm1 2.171 ppm2 2.434 volume 0.9086 assi ((( attr rmsd < 2.221) and (attr rmsd > 2.121)) and bondedto(attr rmsd < 30.278 and attr rmsd > 29.278)) ( attr rmsd < 2.484 and attr rmsd > 2.384) 6 6 0 peak 21489 ppm1 2.171 ppm2 2.434 volume 0.9086 assi ((( attr rmsd < 2.225) and (attr rmsd > 2.125)) and bondedto(attr rmsd < 77.792 and attr rmsd > 76.792)) ( attr rmsd < 2.340 and attr rmsd > 2.240) 6 6 0 peak 11490 ppm1 2.175 ppm2 2.290 volume 1.4102 assi ((( attr rmsd < 2.225) and (attr rmsd > 2.125)) and bondedto(attr rmsd < 30.272 and attr rmsd > 29.272)) ( attr rmsd < 2.340 and attr rmsd > 2.240) 6 6 0 peak 21490 ppm1 2.175 ppm2 2.290 volume 1.4102 assi ((( attr rmsd < 2.140) and (attr rmsd > 2.040)) and bondedto(attr rmsd < 77.654 and attr rmsd > 76.654)) ( attr rmsd < 4.399 and attr rmsd > 4.299) 6 6 0 peak 11491 ppm1 2.090 ppm2 4.349 volume 0.3367 assi ((( attr rmsd < 2.140) and (attr rmsd > 2.040)) and bondedto(attr rmsd < 30.134 and attr rmsd > 29.134)) ( attr rmsd < 4.399 and attr rmsd > 4.299) 6 6 0 peak 21491 ppm1 2.090 ppm2 4.349 volume 0.3367 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 77.738 and attr rmsd > 76.738)) ( attr rmsd < 4.106 and attr rmsd > 4.006) 6 6 0 peak 11492 ppm1 2.093 ppm2 4.056 volume 0.7839 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 30.218 and attr rmsd > 29.218)) ( attr rmsd < 4.106 and attr rmsd > 4.006) 6 6 0 peak 21492 ppm1 2.093 ppm2 4.056 volume 0.7839 assi ((( attr rmsd < 2.140) and (attr rmsd > 2.040)) and bondedto(attr rmsd < 77.753 and attr rmsd > 76.753)) ( attr rmsd < 2.345 and attr rmsd > 2.245) 6 6 0 peak 11493 ppm1 2.090 ppm2 2.295 volume 2.9129 assi ((( attr rmsd < 2.140) and (attr rmsd > 2.040)) and bondedto(attr rmsd < 30.233 and attr rmsd > 29.233)) ( attr rmsd < 2.345 and attr rmsd > 2.245) 6 6 0 peak 21493 ppm1 2.090 ppm2 2.295 volume 2.9129 assi ((( attr rmsd < 2.140) and (attr rmsd > 2.040)) and bondedto(attr rmsd < 77.762 and attr rmsd > 76.762)) ( attr rmsd < 2.150 and attr rmsd > 2.050) 6 6 0 peak 11494 ppm1 2.090 ppm2 2.100 volume 6.7877 assi ((( attr rmsd < 2.140) and (attr rmsd > 2.040)) and bondedto(attr rmsd < 30.242 and attr rmsd > 29.242)) ( attr rmsd < 2.150 and attr rmsd > 2.050) 6 6 0 peak 21494 ppm1 2.090 ppm2 2.100 volume 6.7877 assi ((( attr rmsd < 2.130) and (attr rmsd > 2.030)) and bondedto(attr rmsd < 77.786 and attr rmsd > 76.786)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11495 ppm1 2.080 ppm2 4.774 volume 0.9882 assi ((( attr rmsd < 2.130) and (attr rmsd > 2.030)) and bondedto(attr rmsd < 30.266 and attr rmsd > 29.266)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21495 ppm1 2.080 ppm2 4.774 volume 0.9882 assi ((( attr rmsd < 2.130) and (attr rmsd > 2.030)) and bondedto(attr rmsd < 77.800 and attr rmsd > 76.800)) ( attr rmsd < 2.474 and attr rmsd > 2.374) 6 6 0 peak 11496 ppm1 2.080 ppm2 2.424 volume 0.9406 assi ((( attr rmsd < 2.130) and (attr rmsd > 2.030)) and bondedto(attr rmsd < 30.280 and attr rmsd > 29.280)) ( attr rmsd < 2.474 and attr rmsd > 2.374) 6 6 0 peak 21496 ppm1 2.080 ppm2 2.424 volume 0.9406 assi ((( attr rmsd < 2.040) and (attr rmsd > 1.940)) and bondedto(attr rmsd < 77.661 and attr rmsd > 76.661)) ( attr rmsd < 4.401 and attr rmsd > 4.301) 6 6 0 peak 11497 ppm1 1.990 ppm2 4.351 volume 0.3787 assi ((( attr rmsd < 2.040) and (attr rmsd > 1.940)) and bondedto(attr rmsd < 30.141 and attr rmsd > 29.141)) ( attr rmsd < 4.401 and attr rmsd > 4.301) 6 6 0 peak 21497 ppm1 1.990 ppm2 4.351 volume 0.3787 assi ((( attr rmsd < 2.042) and (attr rmsd > 1.942)) and bondedto(attr rmsd < 77.742 and attr rmsd > 76.742)) ( attr rmsd < 2.349 and attr rmsd > 2.249) 6 6 0 peak 11498 ppm1 1.992 ppm2 2.299 volume 1.7920 assi ((( attr rmsd < 2.042) and (attr rmsd > 1.942)) and bondedto(attr rmsd < 30.222 and attr rmsd > 29.222)) ( attr rmsd < 2.349 and attr rmsd > 2.249) 6 6 0 peak 21498 ppm1 1.992 ppm2 2.299 volume 1.7920 assi ((( attr rmsd < 2.044) and (attr rmsd > 1.944)) and bondedto(attr rmsd < 77.704 and attr rmsd > 76.704)) ( attr rmsd < 2.144 and attr rmsd > 2.044) 6 6 0 peak 11499 ppm1 1.994 ppm2 2.094 volume 3.8857 assi ((( attr rmsd < 2.044) and (attr rmsd > 1.944)) and bondedto(attr rmsd < 30.184 and attr rmsd > 29.184)) ( attr rmsd < 2.144 and attr rmsd > 2.044) 6 6 0 peak 21499 ppm1 1.994 ppm2 2.094 volume 3.8857 assi ((( attr rmsd < 1.756) and (attr rmsd > 1.656)) and bondedto(attr rmsd < 77.809 and attr rmsd > 76.809)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11500 ppm1 1.706 ppm2 4.775 volume 0.5854 assi ((( attr rmsd < 1.756) and (attr rmsd > 1.656)) and bondedto(attr rmsd < 30.289 and attr rmsd > 29.289)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21500 ppm1 1.706 ppm2 4.775 volume 0.5854 assi ((( attr rmsd < 1.678) and (attr rmsd > 1.578)) and bondedto(attr rmsd < 77.668 and attr rmsd > 76.668)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11501 ppm1 1.628 ppm2 4.776 volume 0.6562 assi ((( attr rmsd < 1.678) and (attr rmsd > 1.578)) and bondedto(attr rmsd < 30.148 and attr rmsd > 29.148)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21501 ppm1 1.628 ppm2 4.776 volume 0.6562 assi ((( attr rmsd < 0.975) and (attr rmsd > 0.875)) and bondedto(attr rmsd < 77.757 and attr rmsd > 76.757)) ( attr rmsd < 0.973 and attr rmsd > 0.873) 6 6 0 peak 11502 ppm1 0.925 ppm2 0.923 volume 0.2760 assi ((( attr rmsd < 0.975) and (attr rmsd > 0.875)) and bondedto(attr rmsd < 30.237 and attr rmsd > 29.237)) ( attr rmsd < 0.973 and attr rmsd > 0.873) 6 6 0 peak 21502 ppm1 0.925 ppm2 0.923 volume 0.2760 assi ((( attr rmsd < 0.751) and (attr rmsd > 0.651)) and bondedto(attr rmsd < 77.668 and attr rmsd > 76.668)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 11503 ppm1 0.701 ppm2 0.693 volume 0.1610 assi ((( attr rmsd < 0.751) and (attr rmsd > 0.651)) and bondedto(attr rmsd < 30.148 and attr rmsd > 29.148)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 21503 ppm1 0.701 ppm2 0.693 volume 0.1610 assi ((( attr rmsd < 5.066) and (attr rmsd > 4.966)) and bondedto(attr rmsd < 54.027 and attr rmsd > 53.027)) ( attr rmsd < 5.073 and attr rmsd > 4.973) 6 6 0 peak 1504 ppm1 5.016 ppm2 5.023 volume 2.6491 assi ((( attr rmsd < 5.070) and (attr rmsd > 4.970)) and bondedto(attr rmsd < 54.057 and attr rmsd > 53.057)) ( attr rmsd < 3.740 and attr rmsd > 3.640) 6 6 0 peak 1505 ppm1 5.020 ppm2 3.690 volume 0.6263 assi ((( attr rmsd < 5.075) and (attr rmsd > 4.975)) and bondedto(attr rmsd < 54.031 and attr rmsd > 53.031)) ( attr rmsd < 3.295 and attr rmsd > 3.195) 6 6 0 peak 1506 ppm1 5.025 ppm2 3.245 volume 0.3904 assi ((( attr rmsd < 5.070) and (attr rmsd > 4.970)) and bondedto(attr rmsd < 54.057 and attr rmsd > 53.057)) ( attr rmsd < 3.021 and attr rmsd > 2.921) 6 6 0 peak 1507 ppm1 5.020 ppm2 2.971 volume 0.3224 assi ((( attr rmsd < 5.072) and (attr rmsd > 4.972)) and bondedto(attr rmsd < 54.036 and attr rmsd > 53.036)) ( attr rmsd < 2.088 and attr rmsd > 1.988) 6 6 0 peak 1508 ppm1 5.022 ppm2 2.038 volume 0.1497 assi ((( attr rmsd < 5.015) and (attr rmsd > 4.915)) and bondedto(attr rmsd < 53.915 and attr rmsd > 52.915)) ( attr rmsd < 5.009 and attr rmsd > 4.909) 6 6 0 peak 1509 ppm1 4.965 ppm2 4.959 volume 1.4728 assi ((( attr rmsd < 5.007) and (attr rmsd > 4.907)) and bondedto(attr rmsd < 53.935 and attr rmsd > 52.935)) ( attr rmsd < 1.400 and attr rmsd > 1.300) 6 6 0 peak 1510 ppm1 4.957 ppm2 1.350 volume 0.2908 assi ((( attr rmsd < 5.005) and (attr rmsd > 4.905)) and bondedto(attr rmsd < 53.905 and attr rmsd > 52.905)) ( attr rmsd < 0.902 and attr rmsd > 0.802) 6 6 0 peak 1511 ppm1 4.955 ppm2 0.852 volume 0.7356 assi ((( attr rmsd < 4.892) and (attr rmsd > 4.792)) and bondedto(attr rmsd < 54.028 and attr rmsd > 53.028)) ( attr rmsd < 4.765 and attr rmsd > 4.665) 6 6 0 peak 1512 ppm1 4.842 ppm2 4.715 volume 0.7533 assi ((( attr rmsd < 4.887) and (attr rmsd > 4.787)) and bondedto(attr rmsd < 53.998 and attr rmsd > 52.998)) ( attr rmsd < 2.156 and attr rmsd > 2.056) 6 6 0 peak 1513 ppm1 4.837 ppm2 2.106 volume 0.3642 assi ((( attr rmsd < 4.863) and (attr rmsd > 4.763)) and bondedto(attr rmsd < 54.028 and attr rmsd > 53.028)) ( attr rmsd < 5.074 and attr rmsd > 4.974) 6 6 0 peak 1514 ppm1 4.813 ppm2 5.024 volume 0.2727 assi ((( attr rmsd < 4.815) and (attr rmsd > 4.715)) and bondedto(attr rmsd < 53.975 and attr rmsd > 52.975)) ( attr rmsd < 2.153 and attr rmsd > 2.053) 6 6 0 peak 1515 ppm1 4.765 ppm2 2.103 volume 0.2428 assi ((( attr rmsd < 4.812) and (attr rmsd > 4.712)) and bondedto(attr rmsd < 53.991 and attr rmsd > 52.991)) ( attr rmsd < 5.068 and attr rmsd > 4.968) 6 6 0 peak 1516 ppm1 4.762 ppm2 5.018 volume 0.1757 assi ((( attr rmsd < 4.754) and (attr rmsd > 4.654)) and bondedto(attr rmsd < 54.019 and attr rmsd > 53.019)) ( attr rmsd < 2.155 and attr rmsd > 2.055) 6 6 0 peak 1517 ppm1 4.704 ppm2 2.105 volume 0.3542 assi ((( attr rmsd < 4.728) and (attr rmsd > 4.628)) and bondedto(attr rmsd < 53.997 and attr rmsd > 52.997)) ( attr rmsd < 5.059 and attr rmsd > 4.959) 6 6 0 peak 1518 ppm1 4.678 ppm2 5.009 volume 0.5113 assi ((( attr rmsd < 4.727) and (attr rmsd > 4.627)) and bondedto(attr rmsd < 53.926 and attr rmsd > 52.926)) ( attr rmsd < 4.928 and attr rmsd > 4.828) 6 6 0 peak 1519 ppm1 4.677 ppm2 4.878 volume 0.2645 assi ((( attr rmsd < 4.697) and (attr rmsd > 4.597)) and bondedto(attr rmsd < 53.975 and attr rmsd > 52.975)) ( attr rmsd < 5.064 and attr rmsd > 4.964) 6 6 0 peak 1520 ppm1 4.647 ppm2 5.014 volume 0.4559 assi ((( attr rmsd < 4.661) and (attr rmsd > 4.561)) and bondedto(attr rmsd < 54.006 and attr rmsd > 53.006)) ( attr rmsd < 4.787 and attr rmsd > 4.687) 6 6 0 peak 1521 ppm1 4.611 ppm2 4.737 volume 0.3067 assi ((( attr rmsd < 4.656) and (attr rmsd > 4.556)) and bondedto(attr rmsd < 53.947 and attr rmsd > 52.947)) ( attr rmsd < 5.058 and attr rmsd > 4.958) 6 6 0 peak 1522 ppm1 4.606 ppm2 5.008 volume 0.3946 assi ((( attr rmsd < 4.637) and (attr rmsd > 4.537)) and bondedto(attr rmsd < 53.952 and attr rmsd > 52.952)) ( attr rmsd < 4.639 and attr rmsd > 4.539) 6 6 0 peak 1523 ppm1 4.587 ppm2 4.589 volume 3.2345 assi ((( attr rmsd < 4.638) and (attr rmsd > 4.538)) and bondedto(attr rmsd < 53.974 and attr rmsd > 52.974)) ( attr rmsd < 1.259 and attr rmsd > 1.159) 6 6 0 peak 1524 ppm1 4.588 ppm2 1.209 volume 0.2083 assi ((( attr rmsd < 3.861) and (attr rmsd > 3.761)) and bondedto(attr rmsd < 53.931 and attr rmsd > 52.931)) ( attr rmsd < 3.869 and attr rmsd > 3.769) 6 6 0 peak 1525 ppm1 3.811 ppm2 3.819 volume 0.4998 assi ((( attr rmsd < 3.728) and (attr rmsd > 3.628)) and bondedto(attr rmsd < 53.973 and attr rmsd > 52.973)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 1526 ppm1 3.678 ppm2 3.598 volume 1.2989 assi ((( attr rmsd < 3.658) and (attr rmsd > 3.558)) and bondedto(attr rmsd < 53.948 and attr rmsd > 52.948)) ( attr rmsd < 3.621 and attr rmsd > 3.521) 6 6 0 peak 1527 ppm1 3.608 ppm2 3.571 volume 0.3073 assi ((( attr rmsd < 3.178) and (attr rmsd > 3.078)) and bondedto(attr rmsd < 53.984 and attr rmsd > 52.984)) ( attr rmsd < 3.183 and attr rmsd > 3.083) 6 6 0 peak 1528 ppm1 3.128 ppm2 3.133 volume 1.3631 assi ((( attr rmsd < 2.138) and (attr rmsd > 2.038)) and bondedto(attr rmsd < 53.960 and attr rmsd > 52.960)) ( attr rmsd < 1.926 and attr rmsd > 1.826) 6 6 0 peak 1529 ppm1 2.088 ppm2 1.876 volume 0.5440 assi ((( attr rmsd < 2.141) and (attr rmsd > 2.041)) and bondedto(attr rmsd < 53.928 and attr rmsd > 52.928)) ( attr rmsd < 1.569 and attr rmsd > 1.469) 6 6 0 peak 1530 ppm1 2.091 ppm2 1.519 volume 0.1771 assi ((( attr rmsd < 1.561) and (attr rmsd > 1.461)) and bondedto(attr rmsd < 54.015 and attr rmsd > 53.015)) ( attr rmsd < 1.562 and attr rmsd > 1.462) 6 6 0 peak 1531 ppm1 1.511 ppm2 1.512 volume 0.2695 assi ((( attr rmsd < 4.912) and (attr rmsd > 4.812)) and bondedto(attr rmsd < 77.624 and attr rmsd > 76.624)) ( attr rmsd < 4.995 and attr rmsd > 4.895) 6 6 0 peak 11532 ppm1 4.862 ppm2 4.945 volume 0.5963 assi ((( attr rmsd < 4.912) and (attr rmsd > 4.812)) and bondedto(attr rmsd < 30.104 and attr rmsd > 29.104)) ( attr rmsd < 4.995 and attr rmsd > 4.895) 6 6 0 peak 21532 ppm1 4.862 ppm2 4.945 volume 0.5963 assi ((( attr rmsd < 4.903) and (attr rmsd > 4.803)) and bondedto(attr rmsd < 77.626 and attr rmsd > 76.626)) ( attr rmsd < 0.895 and attr rmsd > 0.795) 6 6 0 peak 11533 ppm1 4.853 ppm2 0.845 volume 0.3087 assi ((( attr rmsd < 4.903) and (attr rmsd > 4.803)) and bondedto(attr rmsd < 30.106 and attr rmsd > 29.106)) ( attr rmsd < 0.895 and attr rmsd > 0.795) 6 6 0 peak 21533 ppm1 4.853 ppm2 0.845 volume 0.3087 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 77.485 and attr rmsd > 76.485)) ( attr rmsd < 4.646 and attr rmsd > 4.546) 6 6 0 peak 11534 ppm1 4.698 ppm2 4.596 volume 0.8959 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 29.965 and attr rmsd > 28.965)) ( attr rmsd < 4.646 and attr rmsd > 4.546) 6 6 0 peak 21534 ppm1 4.698 ppm2 4.596 volume 0.8959 assi ((( attr rmsd < 4.113) and (attr rmsd > 4.013)) and bondedto(attr rmsd < 77.494 and attr rmsd > 76.494)) ( attr rmsd < 4.004 and attr rmsd > 3.904) 6 6 0 peak 11535 ppm1 4.063 ppm2 3.954 volume 0.2113 assi ((( attr rmsd < 4.113) and (attr rmsd > 4.013)) and bondedto(attr rmsd < 29.974 and attr rmsd > 28.974)) ( attr rmsd < 4.004 and attr rmsd > 3.904) 6 6 0 peak 21535 ppm1 4.063 ppm2 3.954 volume 0.2113 assi ((( attr rmsd < 2.332) and (attr rmsd > 2.232)) and bondedto(attr rmsd < 77.621 and attr rmsd > 76.621)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 11536 ppm1 2.282 ppm2 2.108 volume 0.4504 assi ((( attr rmsd < 2.332) and (attr rmsd > 2.232)) and bondedto(attr rmsd < 30.101 and attr rmsd > 29.101)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 21536 ppm1 2.282 ppm2 2.108 volume 0.4504 assi ((( attr rmsd < 2.213) and (attr rmsd > 2.113)) and bondedto(attr rmsd < 77.569 and attr rmsd > 76.569)) ( attr rmsd < 3.587 and attr rmsd > 3.487) 6 6 0 peak 11537 ppm1 2.163 ppm2 3.537 volume 0.1558 assi ((( attr rmsd < 2.213) and (attr rmsd > 2.113)) and bondedto(attr rmsd < 30.049 and attr rmsd > 29.049)) ( attr rmsd < 3.587 and attr rmsd > 3.487) 6 6 0 peak 21537 ppm1 2.163 ppm2 3.537 volume 0.1558 assi ((( attr rmsd < 2.173) and (attr rmsd > 2.073)) and bondedto(attr rmsd < 77.584 and attr rmsd > 76.584)) ( attr rmsd < 3.587 and attr rmsd > 3.487) 6 6 0 peak 11538 ppm1 2.123 ppm2 3.537 volume 0.1635 assi ((( attr rmsd < 2.173) and (attr rmsd > 2.073)) and bondedto(attr rmsd < 30.064 and attr rmsd > 29.064)) ( attr rmsd < 3.587 and attr rmsd > 3.487) 6 6 0 peak 21538 ppm1 2.123 ppm2 3.537 volume 0.1635 assi ((( attr rmsd < 1.779) and (attr rmsd > 1.679)) and bondedto(attr rmsd < 77.498 and attr rmsd > 76.498)) ( attr rmsd < 3.983 and attr rmsd > 3.883) 6 6 0 peak 11539 ppm1 1.729 ppm2 3.933 volume 0.2201 assi ((( attr rmsd < 1.779) and (attr rmsd > 1.679)) and bondedto(attr rmsd < 29.978 and attr rmsd > 28.978)) ( attr rmsd < 3.983 and attr rmsd > 3.883) 6 6 0 peak 21539 ppm1 1.729 ppm2 3.933 volume 0.2201 assi ((( attr rmsd < 5.009) and (attr rmsd > 4.909)) and bondedto(attr rmsd < 53.853 and attr rmsd > 52.853)) ( attr rmsd < 1.784 and attr rmsd > 1.684) 6 6 0 peak 1540 ppm1 4.959 ppm2 1.734 volume 0.2115 assi ((( attr rmsd < 5.009) and (attr rmsd > 4.909)) and bondedto(attr rmsd < 53.868 and attr rmsd > 52.868)) ( attr rmsd < 1.740 and attr rmsd > 1.640) 6 6 0 peak 1541 ppm1 4.959 ppm2 1.690 volume 0.2215 assi ((( attr rmsd < 4.982) and (attr rmsd > 4.882)) and bondedto(attr rmsd < 53.740 and attr rmsd > 52.740)) ( attr rmsd < 1.743 and attr rmsd > 1.643) 6 6 0 peak 1542 ppm1 4.932 ppm2 1.693 volume 0.2284 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 53.805 and attr rmsd > 52.805)) ( attr rmsd < 4.120 and attr rmsd > 4.020) 6 6 0 peak 1543 ppm1 4.848 ppm2 4.070 volume 0.3183 assi ((( attr rmsd < 4.794) and (attr rmsd > 4.694)) and bondedto(attr rmsd < 53.835 and attr rmsd > 52.835)) ( attr rmsd < 4.648 and attr rmsd > 4.548) 6 6 0 peak 1544 ppm1 4.744 ppm2 4.598 volume 0.2144 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 53.837 and attr rmsd > 52.837)) ( attr rmsd < 4.120 and attr rmsd > 4.020) 6 6 0 peak 1545 ppm1 4.713 ppm2 4.070 volume 0.3011 assi ((( attr rmsd < 4.647) and (attr rmsd > 4.547)) and bondedto(attr rmsd < 53.850 and attr rmsd > 52.850)) ( attr rmsd < 1.433 and attr rmsd > 1.333) 6 6 0 peak 1546 ppm1 4.597 ppm2 1.383 volume 0.1496 assi ((( attr rmsd < 4.635) and (attr rmsd > 4.535)) and bondedto(attr rmsd < 53.809 and attr rmsd > 52.809)) ( attr rmsd < 1.577 and attr rmsd > 1.477) 6 6 0 peak 1547 ppm1 4.585 ppm2 1.527 volume 0.2008 assi ((( attr rmsd < 4.117) and (attr rmsd > 4.017)) and bondedto(attr rmsd < 53.786 and attr rmsd > 52.786)) ( attr rmsd < 4.120 and attr rmsd > 4.020) 6 6 0 peak 1548 ppm1 4.067 ppm2 4.070 volume 3.6304 assi ((( attr rmsd < 4.118) and (attr rmsd > 4.018)) and bondedto(attr rmsd < 53.779 and attr rmsd > 52.779)) ( attr rmsd < 1.563 and attr rmsd > 1.463) 6 6 0 peak 1549 ppm1 4.068 ppm2 1.513 volume 1.0729 assi ((( attr rmsd < 1.557) and (attr rmsd > 1.457)) and bondedto(attr rmsd < 53.824 and attr rmsd > 52.824)) ( attr rmsd < 4.125 and attr rmsd > 4.025) 6 6 0 peak 1550 ppm1 1.507 ppm2 4.075 volume 0.3040 assi ((( attr rmsd < 4.639) and (attr rmsd > 4.539)) and bondedto(attr rmsd < 77.303 and attr rmsd > 76.303)) ( attr rmsd < 4.748 and attr rmsd > 4.648) 6 6 0 peak 11551 ppm1 4.589 ppm2 4.698 volume 0.2575 assi ((( attr rmsd < 4.639) and (attr rmsd > 4.539)) and bondedto(attr rmsd < 29.783 and attr rmsd > 28.783)) ( attr rmsd < 4.748 and attr rmsd > 4.648) 6 6 0 peak 21551 ppm1 4.589 ppm2 4.698 volume 0.2575 assi ((( attr rmsd < 3.859) and (attr rmsd > 3.759)) and bondedto(attr rmsd < 77.347 and attr rmsd > 76.347)) ( attr rmsd < 3.732 and attr rmsd > 3.632) 6 6 0 peak 11552 ppm1 3.809 ppm2 3.682 volume 0.2164 assi ((( attr rmsd < 3.859) and (attr rmsd > 3.759)) and bondedto(attr rmsd < 29.827 and attr rmsd > 28.827)) ( attr rmsd < 3.732 and attr rmsd > 3.632) 6 6 0 peak 21552 ppm1 3.809 ppm2 3.682 volume 0.2164 assi ((( attr rmsd < 2.965) and (attr rmsd > 2.865)) and bondedto(attr rmsd < 77.338 and attr rmsd > 76.338)) ( attr rmsd < 2.965 and attr rmsd > 2.865) 6 6 0 peak 11553 ppm1 2.915 ppm2 2.915 volume 0.2167 assi ((( attr rmsd < 2.965) and (attr rmsd > 2.865)) and bondedto(attr rmsd < 29.818 and attr rmsd > 28.818)) ( attr rmsd < 2.965 and attr rmsd > 2.865) 6 6 0 peak 21553 ppm1 2.915 ppm2 2.915 volume 0.2167 assi ((( attr rmsd < 2.959) and (attr rmsd > 2.859)) and bondedto(attr rmsd < 77.438 and attr rmsd > 76.438)) ( attr rmsd < 1.640 and attr rmsd > 1.540) 6 6 0 peak 11554 ppm1 2.909 ppm2 1.590 volume 0.2510 assi ((( attr rmsd < 2.959) and (attr rmsd > 2.859)) and bondedto(attr rmsd < 29.918 and attr rmsd > 28.918)) ( attr rmsd < 1.640 and attr rmsd > 1.540) 6 6 0 peak 21554 ppm1 2.909 ppm2 1.590 volume 0.2510 assi ((( attr rmsd < 1.784) and (attr rmsd > 1.684)) and bondedto(attr rmsd < 77.277 and attr rmsd > 76.277)) ( attr rmsd < 2.022 and attr rmsd > 1.922) 6 6 0 peak 11555 ppm1 1.734 ppm2 1.972 volume 1.1940 assi ((( attr rmsd < 1.784) and (attr rmsd > 1.684)) and bondedto(attr rmsd < 29.757 and attr rmsd > 28.757)) ( attr rmsd < 2.022 and attr rmsd > 1.922) 6 6 0 peak 21555 ppm1 1.734 ppm2 1.972 volume 1.1940 assi ((( attr rmsd < 1.770) and (attr rmsd > 1.670)) and bondedto(attr rmsd < 77.296 and attr rmsd > 76.296)) ( attr rmsd < 4.268 and attr rmsd > 4.168) 6 6 0 peak 11556 ppm1 1.720 ppm2 4.218 volume 0.3350 assi ((( attr rmsd < 1.770) and (attr rmsd > 1.670)) and bondedto(attr rmsd < 29.776 and attr rmsd > 28.776)) ( attr rmsd < 4.268 and attr rmsd > 4.168) 6 6 0 peak 21556 ppm1 1.720 ppm2 4.218 volume 0.3350 assi ((( attr rmsd < 1.715) and (attr rmsd > 1.615)) and bondedto(attr rmsd < 77.311 and attr rmsd > 76.311)) ( attr rmsd < 4.203 and attr rmsd > 4.103) 6 6 0 peak 11557 ppm1 1.665 ppm2 4.153 volume 0.4498 assi ((( attr rmsd < 1.715) and (attr rmsd > 1.615)) and bondedto(attr rmsd < 29.791 and attr rmsd > 28.791)) ( attr rmsd < 4.203 and attr rmsd > 4.103) 6 6 0 peak 21557 ppm1 1.665 ppm2 4.153 volume 0.4498 assi ((( attr rmsd < 1.682) and (attr rmsd > 1.582)) and bondedto(attr rmsd < 77.343 and attr rmsd > 76.343)) ( attr rmsd < 1.425 and attr rmsd > 1.325) 6 6 0 peak 11558 ppm1 1.632 ppm2 1.375 volume 2.8272 assi ((( attr rmsd < 1.682) and (attr rmsd > 1.582)) and bondedto(attr rmsd < 29.823 and attr rmsd > 28.823)) ( attr rmsd < 1.425 and attr rmsd > 1.325) 6 6 0 peak 21558 ppm1 1.632 ppm2 1.375 volume 2.8272 assi ((( attr rmsd < 1.423) and (attr rmsd > 1.323)) and bondedto(attr rmsd < 77.385 and attr rmsd > 76.385)) ( attr rmsd < 1.673 and attr rmsd > 1.573) 6 6 0 peak 11559 ppm1 1.373 ppm2 1.623 volume 0.5313 assi ((( attr rmsd < 1.423) and (attr rmsd > 1.323)) and bondedto(attr rmsd < 29.865 and attr rmsd > 28.865)) ( attr rmsd < 1.673 and attr rmsd > 1.573) 6 6 0 peak 21559 ppm1 1.373 ppm2 1.623 volume 0.5313 assi ((( attr rmsd < 5.128) and (attr rmsd > 5.028)) and bondedto(attr rmsd < 53.538 and attr rmsd > 52.538)) ( attr rmsd < 1.764 and attr rmsd > 1.664) 6 6 0 peak 1560 ppm1 5.078 ppm2 1.714 volume 0.3225 assi ((( attr rmsd < 5.128) and (attr rmsd > 5.028)) and bondedto(attr rmsd < 53.591 and attr rmsd > 52.591)) ( attr rmsd < 1.494 and attr rmsd > 1.394) 6 6 0 peak 1561 ppm1 5.078 ppm2 1.444 volume 0.3397 assi ((( attr rmsd < 5.117) and (attr rmsd > 5.017)) and bondedto(attr rmsd < 53.517 and attr rmsd > 52.517)) ( attr rmsd < 0.835 and attr rmsd > 0.735) 6 6 0 peak 1562 ppm1 5.067 ppm2 0.785 volume 0.2250 assi ((( attr rmsd < 1.776) and (attr rmsd > 1.676)) and bondedto(attr rmsd < 53.517 and attr rmsd > 52.517)) ( attr rmsd < 1.670 and attr rmsd > 1.570) 6 6 0 peak 1563 ppm1 1.726 ppm2 1.620 volume 5.5493 assi ((( attr rmsd < 3.114) and (attr rmsd > 3.014)) and bondedto(attr rmsd < 77.121 and attr rmsd > 76.121)) ( attr rmsd < 1.848 and attr rmsd > 1.748) 6 6 0 peak 11564 ppm1 3.064 ppm2 1.798 volume 0.4751 assi ((( attr rmsd < 3.114) and (attr rmsd > 3.014)) and bondedto(attr rmsd < 29.601 and attr rmsd > 28.601)) ( attr rmsd < 1.848 and attr rmsd > 1.748) 6 6 0 peak 21564 ppm1 3.064 ppm2 1.798 volume 0.4751 assi ((( attr rmsd < 3.063) and (attr rmsd > 2.963)) and bondedto(attr rmsd < 77.247 and attr rmsd > 76.247)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 11565 ppm1 3.013 ppm2 3.016 volume 1.0323 assi ((( attr rmsd < 3.063) and (attr rmsd > 2.963)) and bondedto(attr rmsd < 29.727 and attr rmsd > 28.727)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 21565 ppm1 3.013 ppm2 3.016 volume 1.0323 assi ((( attr rmsd < 3.062) and (attr rmsd > 2.962)) and bondedto(attr rmsd < 77.262 and attr rmsd > 76.262)) ( attr rmsd < 1.771 and attr rmsd > 1.671) 6 6 0 peak 11566 ppm1 3.012 ppm2 1.721 volume 4.4337 assi ((( attr rmsd < 3.062) and (attr rmsd > 2.962)) and bondedto(attr rmsd < 29.742 and attr rmsd > 28.742)) ( attr rmsd < 1.771 and attr rmsd > 1.671) 6 6 0 peak 21566 ppm1 3.012 ppm2 1.721 volume 4.4337 assi ((( attr rmsd < 3.063) and (attr rmsd > 2.963)) and bondedto(attr rmsd < 77.187 and attr rmsd > 76.187)) ( attr rmsd < 1.541 and attr rmsd > 1.441) 6 6 0 peak 11567 ppm1 3.013 ppm2 1.491 volume 0.3321 assi ((( attr rmsd < 3.063) and (attr rmsd > 2.963)) and bondedto(attr rmsd < 29.667 and attr rmsd > 28.667)) ( attr rmsd < 1.541 and attr rmsd > 1.441) 6 6 0 peak 21567 ppm1 3.013 ppm2 1.491 volume 0.3321 assi ((( attr rmsd < 1.810) and (attr rmsd > 1.710)) and bondedto(attr rmsd < 77.137 and attr rmsd > 76.137)) ( attr rmsd < 5.005 and attr rmsd > 4.905) 6 6 0 peak 11568 ppm1 1.760 ppm2 4.955 volume 0.2830 assi ((( attr rmsd < 1.810) and (attr rmsd > 1.710)) and bondedto(attr rmsd < 29.617 and attr rmsd > 28.617)) ( attr rmsd < 5.005 and attr rmsd > 4.905) 6 6 0 peak 21568 ppm1 1.760 ppm2 4.955 volume 0.2830 assi ((( attr rmsd < 1.798) and (attr rmsd > 1.698)) and bondedto(attr rmsd < 77.181 and attr rmsd > 76.181)) ( attr rmsd < 3.083 and attr rmsd > 2.983) 6 6 0 peak 11569 ppm1 1.748 ppm2 3.033 volume 1.2919 assi ((( attr rmsd < 1.798) and (attr rmsd > 1.698)) and bondedto(attr rmsd < 29.661 and attr rmsd > 28.661)) ( attr rmsd < 3.083 and attr rmsd > 2.983) 6 6 0 peak 21569 ppm1 1.748 ppm2 3.033 volume 1.2919 assi ((( attr rmsd < 1.768) and (attr rmsd > 1.668)) and bondedto(attr rmsd < 77.176 and attr rmsd > 76.176)) ( attr rmsd < 4.389 and attr rmsd > 4.289) 6 6 0 peak 11570 ppm1 1.718 ppm2 4.339 volume 0.1937 assi ((( attr rmsd < 1.768) and (attr rmsd > 1.668)) and bondedto(attr rmsd < 29.656 and attr rmsd > 28.656)) ( attr rmsd < 4.389 and attr rmsd > 4.289) 6 6 0 peak 21570 ppm1 1.718 ppm2 4.339 volume 0.1937 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 77.197 and attr rmsd > 76.197)) ( attr rmsd < 2.471 and attr rmsd > 2.371) 6 6 0 peak 11571 ppm1 1.716 ppm2 2.421 volume 0.2614 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 29.677 and attr rmsd > 28.677)) ( attr rmsd < 2.471 and attr rmsd > 2.371) 6 6 0 peak 21571 ppm1 1.716 ppm2 2.421 volume 0.2614 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 77.231 and attr rmsd > 76.231)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 11572 ppm1 1.716 ppm2 2.274 volume 0.3018 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 29.711 and attr rmsd > 28.711)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 21572 ppm1 1.716 ppm2 2.274 volume 0.3018 assi ((( attr rmsd < 1.757) and (attr rmsd > 1.657)) and bondedto(attr rmsd < 77.227 and attr rmsd > 76.227)) ( attr rmsd < 1.767 and attr rmsd > 1.667) 6 6 0 peak 11573 ppm1 1.707 ppm2 1.717 volume 95.3286 assi ((( attr rmsd < 1.757) and (attr rmsd > 1.657)) and bondedto(attr rmsd < 29.707 and attr rmsd > 28.707)) ( attr rmsd < 1.767 and attr rmsd > 1.667) 6 6 0 peak 21573 ppm1 1.707 ppm2 1.717 volume 95.3286 assi ((( attr rmsd < 1.762) and (attr rmsd > 1.662)) and bondedto(attr rmsd < 77.234 and attr rmsd > 76.234)) ( attr rmsd < 1.532 and attr rmsd > 1.432) 6 6 0 peak 11574 ppm1 1.712 ppm2 1.482 volume 4.7426 assi ((( attr rmsd < 1.762) and (attr rmsd > 1.662)) and bondedto(attr rmsd < 29.714 and attr rmsd > 28.714)) ( attr rmsd < 1.532 and attr rmsd > 1.432) 6 6 0 peak 21574 ppm1 1.712 ppm2 1.482 volume 4.7426 assi ((( attr rmsd < 1.674) and (attr rmsd > 1.574)) and bondedto(attr rmsd < 77.264 and attr rmsd > 76.264)) ( attr rmsd < 3.017 and attr rmsd > 2.917) 6 6 0 peak 11575 ppm1 1.624 ppm2 2.967 volume 0.6416 assi ((( attr rmsd < 1.674) and (attr rmsd > 1.574)) and bondedto(attr rmsd < 29.744 and attr rmsd > 28.744)) ( attr rmsd < 3.017 and attr rmsd > 2.917) 6 6 0 peak 21575 ppm1 1.624 ppm2 2.967 volume 0.6416 assi ((( attr rmsd < 0.846) and (attr rmsd > 0.746)) and bondedto(attr rmsd < 77.179 and attr rmsd > 76.179)) ( attr rmsd < 1.794 and attr rmsd > 1.694) 6 6 0 peak 11576 ppm1 0.796 ppm2 1.744 volume 0.6055 assi ((( attr rmsd < 0.846) and (attr rmsd > 0.746)) and bondedto(attr rmsd < 29.659 and attr rmsd > 28.659)) ( attr rmsd < 1.794 and attr rmsd > 1.694) 6 6 0 peak 21576 ppm1 0.796 ppm2 1.744 volume 0.6055 assi ((( attr rmsd < 0.844) and (attr rmsd > 0.744)) and bondedto(attr rmsd < 77.186 and attr rmsd > 76.186)) ( attr rmsd < 0.910 and attr rmsd > 0.810) 6 6 0 peak 11577 ppm1 0.794 ppm2 0.860 volume 1.2136 assi ((( attr rmsd < 0.844) and (attr rmsd > 0.744)) and bondedto(attr rmsd < 29.666 and attr rmsd > 28.666)) ( attr rmsd < 0.910 and attr rmsd > 0.810) 6 6 0 peak 21577 ppm1 0.794 ppm2 0.860 volume 1.2136 assi ((( attr rmsd < 4.926) and (attr rmsd > 4.826)) and bondedto(attr rmsd < 53.456 and attr rmsd > 52.456)) ( attr rmsd < 1.752 and attr rmsd > 1.652) 6 6 0 peak 1578 ppm1 4.876 ppm2 1.702 volume 0.2861 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 53.466 and attr rmsd > 52.466)) ( attr rmsd < 1.741 and attr rmsd > 1.641) 6 6 0 peak 1579 ppm1 4.833 ppm2 1.691 volume 1.4011 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 53.455 and attr rmsd > 52.455)) ( attr rmsd < 1.750 and attr rmsd > 1.650) 6 6 0 peak 1580 ppm1 4.698 ppm2 1.700 volume 2.3086 assi ((( attr rmsd < 4.680) and (attr rmsd > 4.580)) and bondedto(attr rmsd < 53.419 and attr rmsd > 52.419)) ( attr rmsd < 3.964 and attr rmsd > 3.864) 6 6 0 peak 1581 ppm1 4.630 ppm2 3.914 volume 0.5668 assi ((( attr rmsd < 4.679) and (attr rmsd > 4.579)) and bondedto(attr rmsd < 53.409 and attr rmsd > 52.409)) ( attr rmsd < 0.831 and attr rmsd > 0.731) 6 6 0 peak 1582 ppm1 4.629 ppm2 0.781 volume 0.6113 assi ((( attr rmsd < 3.008) and (attr rmsd > 2.908)) and bondedto(attr rmsd < 53.477 and attr rmsd > 52.477)) ( attr rmsd < 1.773 and attr rmsd > 1.673) 6 6 0 peak 1583 ppm1 2.958 ppm2 1.723 volume 1.3200 assi ((( attr rmsd < 1.757) and (attr rmsd > 1.657)) and bondedto(attr rmsd < 53.467 and attr rmsd > 52.467)) ( attr rmsd < 0.622 and attr rmsd > 0.522) 6 6 0 peak 1584 ppm1 1.707 ppm2 0.572 volume 1.3406 assi ((( attr rmsd < 1.747) and (attr rmsd > 1.647)) and bondedto(attr rmsd < 53.464 and attr rmsd > 52.464)) ( attr rmsd < 1.641 and attr rmsd > 1.541) 6 6 0 peak 1585 ppm1 1.697 ppm2 1.591 volume 6.5900 assi ((( attr rmsd < 1.706) and (attr rmsd > 1.606)) and bondedto(attr rmsd < 53.473 and attr rmsd > 52.473)) ( attr rmsd < 1.597 and attr rmsd > 1.497) 6 6 0 peak 1586 ppm1 1.656 ppm2 1.547 volume 3.8825 assi ((( attr rmsd < 1.522) and (attr rmsd > 1.422)) and bondedto(attr rmsd < 53.434 and attr rmsd > 52.434)) ( attr rmsd < 1.476 and attr rmsd > 1.376) 6 6 0 peak 1587 ppm1 1.472 ppm2 1.426 volume 0.1611 assi ((( attr rmsd < 1.484) and (attr rmsd > 1.384)) and bondedto(attr rmsd < 53.495 and attr rmsd > 52.495)) ( attr rmsd < 1.749 and attr rmsd > 1.649) 6 6 0 peak 1588 ppm1 1.434 ppm2 1.699 volume 0.5105 assi ((( attr rmsd < 1.472) and (attr rmsd > 1.372)) and bondedto(attr rmsd < 53.428 and attr rmsd > 52.428)) ( attr rmsd < 1.522 and attr rmsd > 1.422) 6 6 0 peak 1589 ppm1 1.422 ppm2 1.472 volume 0.2356 assi ((( attr rmsd < 1.398) and (attr rmsd > 1.298)) and bondedto(attr rmsd < 53.475 and attr rmsd > 52.475)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 1590 ppm1 1.348 ppm2 1.716 volume 0.5908 assi ((( attr rmsd < 1.410) and (attr rmsd > 1.310)) and bondedto(attr rmsd < 53.435 and attr rmsd > 52.435)) ( attr rmsd < 1.447 and attr rmsd > 1.347) 6 6 0 peak 1591 ppm1 1.360 ppm2 1.397 volume 0.1676 assi ((( attr rmsd < 1.334) and (attr rmsd > 1.234)) and bondedto(attr rmsd < 53.471 and attr rmsd > 52.471)) ( attr rmsd < 1.736 and attr rmsd > 1.636) 6 6 0 peak 1592 ppm1 1.284 ppm2 1.686 volume 0.4516 assi ((( attr rmsd < 1.012) and (attr rmsd > 0.912)) and bondedto(attr rmsd < 53.362 and attr rmsd > 52.362)) ( attr rmsd < 1.056 and attr rmsd > 0.956) 6 6 0 peak 1593 ppm1 0.962 ppm2 1.006 volume 0.2185 assi ((( attr rmsd < 3.343) and (attr rmsd > 3.243)) and bondedto(attr rmsd < 77.051 and attr rmsd > 76.051)) ( attr rmsd < 3.352 and attr rmsd > 3.252) 6 6 0 peak 11594 ppm1 3.293 ppm2 3.302 volume 0.3674 assi ((( attr rmsd < 3.343) and (attr rmsd > 3.243)) and bondedto(attr rmsd < 29.531 and attr rmsd > 28.531)) ( attr rmsd < 3.352 and attr rmsd > 3.252) 6 6 0 peak 21594 ppm1 3.293 ppm2 3.302 volume 0.3674 assi ((( attr rmsd < 1.809) and (attr rmsd > 1.709)) and bondedto(attr rmsd < 77.032 and attr rmsd > 76.032)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11595 ppm1 1.759 ppm2 4.775 volume 0.4151 assi ((( attr rmsd < 1.809) and (attr rmsd > 1.709)) and bondedto(attr rmsd < 29.512 and attr rmsd > 28.512)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21595 ppm1 1.759 ppm2 4.775 volume 0.4151 assi ((( attr rmsd < 1.759) and (attr rmsd > 1.659)) and bondedto(attr rmsd < 77.078 and attr rmsd > 76.078)) ( attr rmsd < 4.662 and attr rmsd > 4.562) 6 6 0 peak 11596 ppm1 1.709 ppm2 4.612 volume 0.2362 assi ((( attr rmsd < 1.759) and (attr rmsd > 1.659)) and bondedto(attr rmsd < 29.558 and attr rmsd > 28.558)) ( attr rmsd < 4.662 and attr rmsd > 4.562) 6 6 0 peak 21596 ppm1 1.709 ppm2 4.612 volume 0.2362 assi ((( attr rmsd < 1.746) and (attr rmsd > 1.646)) and bondedto(attr rmsd < 77.039 and attr rmsd > 76.039)) ( attr rmsd < 3.106 and attr rmsd > 3.006) 6 6 0 peak 11597 ppm1 1.696 ppm2 3.056 volume 0.9582 assi ((( attr rmsd < 1.746) and (attr rmsd > 1.646)) and bondedto(attr rmsd < 29.519 and attr rmsd > 28.519)) ( attr rmsd < 3.106 and attr rmsd > 3.006) 6 6 0 peak 21597 ppm1 1.696 ppm2 3.056 volume 0.9582 assi ((( attr rmsd < 1.590) and (attr rmsd > 1.490)) and bondedto(attr rmsd < 76.973 and attr rmsd > 75.973)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 11598 ppm1 1.540 ppm2 4.776 volume 0.3877 assi ((( attr rmsd < 1.590) and (attr rmsd > 1.490)) and bondedto(attr rmsd < 29.453 and attr rmsd > 28.453)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 21598 ppm1 1.540 ppm2 4.776 volume 0.3877 assi ((( attr rmsd < 1.594) and (attr rmsd > 1.494)) and bondedto(attr rmsd < 76.951 and attr rmsd > 75.951)) ( attr rmsd < 3.076 and attr rmsd > 2.976) 6 6 0 peak 11599 ppm1 1.544 ppm2 3.026 volume 0.3569 assi ((( attr rmsd < 1.594) and (attr rmsd > 1.494)) and bondedto(attr rmsd < 29.431 and attr rmsd > 28.431)) ( attr rmsd < 3.076 and attr rmsd > 2.976) 6 6 0 peak 21599 ppm1 1.544 ppm2 3.026 volume 0.3569 assi ((( attr rmsd < 1.588) and (attr rmsd > 1.488)) and bondedto(attr rmsd < 76.950 and attr rmsd > 75.950)) ( attr rmsd < 1.760 and attr rmsd > 1.660) 6 6 0 peak 11600 ppm1 1.538 ppm2 1.710 volume 1.9239 assi ((( attr rmsd < 1.588) and (attr rmsd > 1.488)) and bondedto(attr rmsd < 29.430 and attr rmsd > 28.430)) ( attr rmsd < 1.760 and attr rmsd > 1.660) 6 6 0 peak 21600 ppm1 1.538 ppm2 1.710 volume 1.9239 assi ((( attr rmsd < 1.595) and (attr rmsd > 1.495)) and bondedto(attr rmsd < 76.933 and attr rmsd > 75.933)) ( attr rmsd < 1.599 and attr rmsd > 1.499) 6 6 0 peak 11601 ppm1 1.545 ppm2 1.549 volume 1.8646 assi ((( attr rmsd < 1.595) and (attr rmsd > 1.495)) and bondedto(attr rmsd < 29.413 and attr rmsd > 28.413)) ( attr rmsd < 1.599 and attr rmsd > 1.499) 6 6 0 peak 21601 ppm1 1.545 ppm2 1.549 volume 1.8646 assi ((( attr rmsd < 3.179) and (attr rmsd > 3.079)) and bondedto(attr rmsd < 53.305 and attr rmsd > 52.305)) ( attr rmsd < 3.181 and attr rmsd > 3.081) 6 6 0 peak 1602 ppm1 3.129 ppm2 3.131 volume 0.3884 assi ((( attr rmsd < 2.354) and (attr rmsd > 2.254)) and bondedto(attr rmsd < 53.227 and attr rmsd > 52.227)) ( attr rmsd < 2.360 and attr rmsd > 2.260) 6 6 0 peak 1603 ppm1 2.304 ppm2 2.310 volume 0.2599 assi ((( attr rmsd < 1.261) and (attr rmsd > 1.161)) and bondedto(attr rmsd < 53.164 and attr rmsd > 52.164)) ( attr rmsd < 1.272 and attr rmsd > 1.172) 6 6 0 peak 1604 ppm1 1.211 ppm2 1.222 volume 0.1633 assi ((( attr rmsd < 3.127) and (attr rmsd > 3.027)) and bondedto(attr rmsd < 76.730 and attr rmsd > 75.730)) ( attr rmsd < 1.769 and attr rmsd > 1.669) 6 6 0 peak 11605 ppm1 3.077 ppm2 1.719 volume 0.2197 assi ((( attr rmsd < 3.127) and (attr rmsd > 3.027)) and bondedto(attr rmsd < 29.210 and attr rmsd > 28.210)) ( attr rmsd < 1.769 and attr rmsd > 1.669) 6 6 0 peak 21605 ppm1 3.077 ppm2 1.719 volume 0.2197 assi ((( attr rmsd < 1.589) and (attr rmsd > 1.489)) and bondedto(attr rmsd < 76.893 and attr rmsd > 75.893)) ( attr rmsd < 1.931 and attr rmsd > 1.831) 6 6 0 peak 11606 ppm1 1.539 ppm2 1.881 volume 0.2653 assi ((( attr rmsd < 1.589) and (attr rmsd > 1.489)) and bondedto(attr rmsd < 29.373 and attr rmsd > 28.373)) ( attr rmsd < 1.931 and attr rmsd > 1.831) 6 6 0 peak 21606 ppm1 1.539 ppm2 1.881 volume 0.2653 assi ((( attr rmsd < 4.908) and (attr rmsd > 4.808)) and bondedto(attr rmsd < 53.069 and attr rmsd > 52.069)) ( attr rmsd < 4.901 and attr rmsd > 4.801) 6 6 0 peak 1607 ppm1 4.858 ppm2 4.851 volume 0.4454 assi ((( attr rmsd < 4.893) and (attr rmsd > 4.793)) and bondedto(attr rmsd < 52.962 and attr rmsd > 51.962)) ( attr rmsd < 4.783 and attr rmsd > 4.683) 6 6 0 peak 1608 ppm1 4.843 ppm2 4.733 volume 0.3974 assi ((( attr rmsd < 3.861) and (attr rmsd > 3.761)) and bondedto(attr rmsd < 53.062 and attr rmsd > 52.062)) ( attr rmsd < 3.867 and attr rmsd > 3.767) 6 6 0 peak 1609 ppm1 3.811 ppm2 3.817 volume 0.4170 assi ((( attr rmsd < 3.674) and (attr rmsd > 3.574)) and bondedto(attr rmsd < 53.024 and attr rmsd > 52.024)) ( attr rmsd < 3.650 and attr rmsd > 3.550) 6 6 0 peak 1610 ppm1 3.624 ppm2 3.600 volume 0.1468 assi ((( attr rmsd < 2.141) and (attr rmsd > 2.041)) and bondedto(attr rmsd < 52.952 and attr rmsd > 51.952)) ( attr rmsd < 2.035 and attr rmsd > 1.935) 6 6 0 peak 1611 ppm1 2.091 ppm2 1.985 volume 0.3600 assi ((( attr rmsd < 2.029) and (attr rmsd > 1.929)) and bondedto(attr rmsd < 52.975 and attr rmsd > 51.975)) ( attr rmsd < 2.120 and attr rmsd > 2.020) 6 6 0 peak 1612 ppm1 1.979 ppm2 2.070 volume 0.3065 assi ((( attr rmsd < 5.070) and (attr rmsd > 4.970)) and bondedto(attr rmsd < 76.664 and attr rmsd > 75.664)) ( attr rmsd < 5.088 and attr rmsd > 4.988) 6 6 0 peak 11613 ppm1 5.020 ppm2 5.038 volume 0.1679 assi ((( attr rmsd < 5.070) and (attr rmsd > 4.970)) and bondedto(attr rmsd < 29.144 and attr rmsd > 28.144)) ( attr rmsd < 5.088 and attr rmsd > 4.988) 6 6 0 peak 21613 ppm1 5.020 ppm2 5.038 volume 0.1679 assi ((( attr rmsd < 1.171) and (attr rmsd > 1.071)) and bondedto(attr rmsd < 76.530 and attr rmsd > 75.530)) ( attr rmsd < 1.176 and attr rmsd > 1.076) 6 6 0 peak 11614 ppm1 1.121 ppm2 1.126 volume 1.1738 assi ((( attr rmsd < 1.171) and (attr rmsd > 1.071)) and bondedto(attr rmsd < 29.010 and attr rmsd > 28.010)) ( attr rmsd < 1.176 and attr rmsd > 1.076) 6 6 0 peak 21614 ppm1 1.121 ppm2 1.126 volume 1.1738 assi ((( attr rmsd < 0.877) and (attr rmsd > 0.777)) and bondedto(attr rmsd < 76.574 and attr rmsd > 75.574)) ( attr rmsd < 1.174 and attr rmsd > 1.074) 6 6 0 peak 11615 ppm1 0.827 ppm2 1.124 volume 0.1704 assi ((( attr rmsd < 0.877) and (attr rmsd > 0.777)) and bondedto(attr rmsd < 29.054 and attr rmsd > 28.054)) ( attr rmsd < 1.174 and attr rmsd > 1.074) 6 6 0 peak 21615 ppm1 0.827 ppm2 1.124 volume 0.1704 assi ((( attr rmsd < 4.958) and (attr rmsd > 4.858)) and bondedto(attr rmsd < 52.873 and attr rmsd > 51.873)) ( attr rmsd < 4.946 and attr rmsd > 4.846) 6 6 0 peak 1616 ppm1 4.908 ppm2 4.896 volume 0.3733 assi ((( attr rmsd < 2.951) and (attr rmsd > 2.851)) and bondedto(attr rmsd < 52.778 and attr rmsd > 51.778)) ( attr rmsd < 2.957 and attr rmsd > 2.857) 6 6 0 peak 1617 ppm1 2.901 ppm2 2.907 volume 1.5020 assi ((( attr rmsd < 2.045) and (attr rmsd > 1.945)) and bondedto(attr rmsd < 52.937 and attr rmsd > 51.937)) ( attr rmsd < 2.047 and attr rmsd > 1.947) 6 6 0 peak 1618 ppm1 1.995 ppm2 1.997 volume 0.3312 assi ((( attr rmsd < 2.137) and (attr rmsd > 2.037)) and bondedto(attr rmsd < 76.366 and attr rmsd > 75.366)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 11619 ppm1 2.087 ppm2 4.142 volume 0.5426 assi ((( attr rmsd < 2.137) and (attr rmsd > 2.037)) and bondedto(attr rmsd < 28.846 and attr rmsd > 27.846)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 21619 ppm1 2.087 ppm2 4.142 volume 0.5426 assi ((( attr rmsd < 2.136) and (attr rmsd > 2.036)) and bondedto(attr rmsd < 76.401 and attr rmsd > 75.401)) ( attr rmsd < 2.411 and attr rmsd > 2.311) 6 6 0 peak 11620 ppm1 2.086 ppm2 2.361 volume 0.7019 assi ((( attr rmsd < 2.136) and (attr rmsd > 2.036)) and bondedto(attr rmsd < 28.881 and attr rmsd > 27.881)) ( attr rmsd < 2.411 and attr rmsd > 2.311) 6 6 0 peak 21620 ppm1 2.086 ppm2 2.361 volume 0.7019 assi ((( attr rmsd < 1.719) and (attr rmsd > 1.619)) and bondedto(attr rmsd < 76.487 and attr rmsd > 75.487)) ( attr rmsd < 5.023 and attr rmsd > 4.923) 6 6 0 peak 11621 ppm1 1.669 ppm2 4.973 volume 0.2556 assi ((( attr rmsd < 1.719) and (attr rmsd > 1.619)) and bondedto(attr rmsd < 28.967 and attr rmsd > 27.967)) ( attr rmsd < 5.023 and attr rmsd > 4.923) 6 6 0 peak 21621 ppm1 1.669 ppm2 4.973 volume 0.2556 assi ((( attr rmsd < 1.722) and (attr rmsd > 1.622)) and bondedto(attr rmsd < 76.428 and attr rmsd > 75.428)) ( attr rmsd < 1.177 and attr rmsd > 1.077) 6 6 0 peak 11622 ppm1 1.672 ppm2 1.127 volume 1.0491 assi ((( attr rmsd < 1.722) and (attr rmsd > 1.622)) and bondedto(attr rmsd < 28.908 and attr rmsd > 27.908)) ( attr rmsd < 1.177 and attr rmsd > 1.077) 6 6 0 peak 21622 ppm1 1.672 ppm2 1.127 volume 1.0491 assi ((( attr rmsd < 1.725) and (attr rmsd > 1.625)) and bondedto(attr rmsd < 76.484 and attr rmsd > 75.484)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 11623 ppm1 1.675 ppm2 0.840 volume 1.2876 assi ((( attr rmsd < 1.725) and (attr rmsd > 1.625)) and bondedto(attr rmsd < 28.964 and attr rmsd > 27.964)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 21623 ppm1 1.675 ppm2 0.840 volume 1.2876 assi ((( attr rmsd < 1.172) and (attr rmsd > 1.072)) and bondedto(attr rmsd < 76.516 and attr rmsd > 75.516)) ( attr rmsd < 5.026 and attr rmsd > 4.926) 6 6 0 peak 11624 ppm1 1.122 ppm2 4.976 volume 0.2689 assi ((( attr rmsd < 1.172) and (attr rmsd > 1.072)) and bondedto(attr rmsd < 28.996 and attr rmsd > 27.996)) ( attr rmsd < 5.026 and attr rmsd > 4.926) 6 6 0 peak 21624 ppm1 1.122 ppm2 4.976 volume 0.2689 assi ((( attr rmsd < 1.170) and (attr rmsd > 1.070)) and bondedto(attr rmsd < 76.487 and attr rmsd > 75.487)) ( attr rmsd < 1.735 and attr rmsd > 1.635) 6 6 0 peak 11625 ppm1 1.120 ppm2 1.685 volume 1.0661 assi ((( attr rmsd < 1.170) and (attr rmsd > 1.070)) and bondedto(attr rmsd < 28.967 and attr rmsd > 27.967)) ( attr rmsd < 1.735 and attr rmsd > 1.635) 6 6 0 peak 21625 ppm1 1.120 ppm2 1.685 volume 1.0661 assi ((( attr rmsd < 1.173) and (attr rmsd > 1.073)) and bondedto(attr rmsd < 76.513 and attr rmsd > 75.513)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 11626 ppm1 1.123 ppm2 0.840 volume 1.2857 assi ((( attr rmsd < 1.173) and (attr rmsd > 1.073)) and bondedto(attr rmsd < 28.993 and attr rmsd > 27.993)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 21626 ppm1 1.123 ppm2 0.840 volume 1.2857 assi ((( attr rmsd < 0.874) and (attr rmsd > 0.774)) and bondedto(attr rmsd < 76.468 and attr rmsd > 75.468)) ( attr rmsd < 1.729 and attr rmsd > 1.629) 6 6 0 peak 11627 ppm1 0.824 ppm2 1.679 volume 0.2770 assi ((( attr rmsd < 0.874) and (attr rmsd > 0.774)) and bondedto(attr rmsd < 28.948 and attr rmsd > 27.948)) ( attr rmsd < 1.729 and attr rmsd > 1.629) 6 6 0 peak 21627 ppm1 0.824 ppm2 1.679 volume 0.2770 assi ((( attr rmsd < 5.687) and (attr rmsd > 5.587)) and bondedto(attr rmsd < 52.596 and attr rmsd > 51.596)) ( attr rmsd < 5.689 and attr rmsd > 5.589) 6 6 0 peak 1628 ppm1 5.637 ppm2 5.639 volume 0.5101 assi ((( attr rmsd < 4.308) and (attr rmsd > 4.208)) and bondedto(attr rmsd < 52.699 and attr rmsd > 51.699)) ( attr rmsd < 4.307 and attr rmsd > 4.207) 6 6 0 peak 1629 ppm1 4.258 ppm2 4.257 volume 0.4864 assi ((( attr rmsd < 4.287) and (attr rmsd > 4.187)) and bondedto(attr rmsd < 52.651 and attr rmsd > 51.651)) ( attr rmsd < 1.300 and attr rmsd > 1.200) 6 6 0 peak 1630 ppm1 4.237 ppm2 1.250 volume 0.1704 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 52.576 and attr rmsd > 51.576)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 1631 ppm1 3.016 ppm2 1.716 volume 0.3696 assi ((( attr rmsd < 1.258) and (attr rmsd > 1.158)) and bondedto(attr rmsd < 52.591 and attr rmsd > 51.591)) ( attr rmsd < 1.263 and attr rmsd > 1.163) 6 6 0 peak 1632 ppm1 1.208 ppm2 1.213 volume 0.4317 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 52.726 and attr rmsd > 51.726)) ( attr rmsd < 0.903 and attr rmsd > 0.803) 6 6 0 peak 1633 ppm1 0.867 ppm2 0.853 volume 0.1519 assi ((( attr rmsd < 4.739) and (attr rmsd > 4.639)) and bondedto(attr rmsd < 76.237 and attr rmsd > 75.237)) ( attr rmsd < 1.759 and attr rmsd > 1.659) 6 6 0 peak 11634 ppm1 4.689 ppm2 1.709 volume 0.1620 assi ((( attr rmsd < 4.739) and (attr rmsd > 4.639)) and bondedto(attr rmsd < 28.717 and attr rmsd > 27.717)) ( attr rmsd < 1.759 and attr rmsd > 1.659) 6 6 0 peak 21634 ppm1 4.689 ppm2 1.709 volume 0.1620 assi ((( attr rmsd < 4.044) and (attr rmsd > 3.944)) and bondedto(attr rmsd < 76.241 and attr rmsd > 75.241)) ( attr rmsd < 4.043 and attr rmsd > 3.943) 6 6 0 peak 11635 ppm1 3.994 ppm2 3.993 volume 0.7547 assi ((( attr rmsd < 4.044) and (attr rmsd > 3.944)) and bondedto(attr rmsd < 28.721 and attr rmsd > 27.721)) ( attr rmsd < 4.043 and attr rmsd > 3.943) 6 6 0 peak 21635 ppm1 3.994 ppm2 3.993 volume 0.7547 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 76.307 and attr rmsd > 75.307)) ( attr rmsd < 3.729 and attr rmsd > 3.629) 6 6 0 peak 11636 ppm1 3.810 ppm2 3.679 volume 0.1576 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 28.787 and attr rmsd > 27.787)) ( attr rmsd < 3.729 and attr rmsd > 3.629) 6 6 0 peak 21636 ppm1 3.810 ppm2 3.679 volume 0.1576 assi ((( attr rmsd < 2.228) and (attr rmsd > 2.128)) and bondedto(attr rmsd < 76.156 and attr rmsd > 75.156)) ( attr rmsd < 1.833 and attr rmsd > 1.733) 6 6 0 peak 11637 ppm1 2.178 ppm2 1.783 volume 0.3921 assi ((( attr rmsd < 2.228) and (attr rmsd > 2.128)) and bondedto(attr rmsd < 28.636 and attr rmsd > 27.636)) ( attr rmsd < 1.833 and attr rmsd > 1.733) 6 6 0 peak 21637 ppm1 2.178 ppm2 1.783 volume 0.3921 assi ((( attr rmsd < 2.225) and (attr rmsd > 2.125)) and bondedto(attr rmsd < 76.193 and attr rmsd > 75.193)) ( attr rmsd < 4.191 and attr rmsd > 4.091) 6 6 0 peak 11638 ppm1 2.175 ppm2 4.141 volume 0.5415 assi ((( attr rmsd < 2.225) and (attr rmsd > 2.125)) and bondedto(attr rmsd < 28.673 and attr rmsd > 27.673)) ( attr rmsd < 4.191 and attr rmsd > 4.091) 6 6 0 peak 21638 ppm1 2.175 ppm2 4.141 volume 0.5415 assi ((( attr rmsd < 2.222) and (attr rmsd > 2.122)) and bondedto(attr rmsd < 76.147 and attr rmsd > 75.147)) ( attr rmsd < 2.400 and attr rmsd > 2.300) 6 6 0 peak 11639 ppm1 2.172 ppm2 2.350 volume 0.7733 assi ((( attr rmsd < 2.222) and (attr rmsd > 2.122)) and bondedto(attr rmsd < 28.627 and attr rmsd > 27.627)) ( attr rmsd < 2.400 and attr rmsd > 2.300) 6 6 0 peak 21639 ppm1 2.172 ppm2 2.350 volume 0.7733 assi ((( attr rmsd < 2.159) and (attr rmsd > 2.059)) and bondedto(attr rmsd < 76.180 and attr rmsd > 75.180)) ( attr rmsd < 1.830 and attr rmsd > 1.730) 6 6 0 peak 11640 ppm1 2.109 ppm2 1.780 volume 0.3475 assi ((( attr rmsd < 2.159) and (attr rmsd > 2.059)) and bondedto(attr rmsd < 28.660 and attr rmsd > 27.660)) ( attr rmsd < 1.830 and attr rmsd > 1.730) 6 6 0 peak 21640 ppm1 2.109 ppm2 1.780 volume 0.3475 assi ((( attr rmsd < 1.763) and (attr rmsd > 1.663)) and bondedto(attr rmsd < 76.279 and attr rmsd > 75.279)) ( attr rmsd < 1.361 and attr rmsd > 1.261) 6 6 0 peak 11641 ppm1 1.713 ppm2 1.311 volume 0.1855 assi ((( attr rmsd < 1.763) and (attr rmsd > 1.663)) and bondedto(attr rmsd < 28.759 and attr rmsd > 27.759)) ( attr rmsd < 1.361 and attr rmsd > 1.261) 6 6 0 peak 21641 ppm1 1.713 ppm2 1.311 volume 0.1855 assi ((( attr rmsd < 1.765) and (attr rmsd > 1.665)) and bondedto(attr rmsd < 76.215 and attr rmsd > 75.215)) ( attr rmsd < 0.232 and attr rmsd > 0.132) 6 6 0 peak 11642 ppm1 1.715 ppm2 0.182 volume 0.1520 assi ((( attr rmsd < 1.765) and (attr rmsd > 1.665)) and bondedto(attr rmsd < 28.695 and attr rmsd > 27.695)) ( attr rmsd < 0.232 and attr rmsd > 0.132) 6 6 0 peak 21642 ppm1 1.715 ppm2 0.182 volume 0.1520 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 52.490 and attr rmsd > 51.490)) ( attr rmsd < 4.468 and attr rmsd > 4.368) 6 6 0 peak 1643 ppm1 4.893 ppm2 4.418 volume 0.2444 assi ((( attr rmsd < 4.909) and (attr rmsd > 4.809)) and bondedto(attr rmsd < 52.460 and attr rmsd > 51.460)) ( attr rmsd < 4.467 and attr rmsd > 4.367) 6 6 0 peak 1644 ppm1 4.859 ppm2 4.417 volume 0.2934 assi ((( attr rmsd < 4.778) and (attr rmsd > 4.678)) and bondedto(attr rmsd < 52.456 and attr rmsd > 51.456)) ( attr rmsd < 4.466 and attr rmsd > 4.366) 6 6 0 peak 1645 ppm1 4.728 ppm2 4.416 volume 0.1852 assi ((( attr rmsd < 4.465) and (attr rmsd > 4.365)) and bondedto(attr rmsd < 52.413 and attr rmsd > 51.413)) ( attr rmsd < 4.660 and attr rmsd > 4.560) 6 6 0 peak 1646 ppm1 4.415 ppm2 4.610 volume 0.1566 assi ((( attr rmsd < 4.465) and (attr rmsd > 4.365)) and bondedto(attr rmsd < 52.438 and attr rmsd > 51.438)) ( attr rmsd < 4.468 and attr rmsd > 4.368) 6 6 0 peak 1647 ppm1 4.415 ppm2 4.418 volume 2.2662 assi ((( attr rmsd < 4.464) and (attr rmsd > 4.364)) and bondedto(attr rmsd < 52.441 and attr rmsd > 51.441)) ( attr rmsd < 1.820 and attr rmsd > 1.720) 6 6 0 peak 1648 ppm1 4.414 ppm2 1.770 volume 0.1874 assi ((( attr rmsd < 4.464) and (attr rmsd > 4.364)) and bondedto(attr rmsd < 52.423 and attr rmsd > 51.423)) ( attr rmsd < 1.345 and attr rmsd > 1.245) 6 6 0 peak 1649 ppm1 4.414 ppm2 1.295 volume 0.7561 assi ((( attr rmsd < 4.462) and (attr rmsd > 4.362)) and bondedto(attr rmsd < 52.425 and attr rmsd > 51.425)) ( attr rmsd < 0.921 and attr rmsd > 0.821) 6 6 0 peak 1650 ppm1 4.412 ppm2 0.871 volume 0.5573 assi ((( attr rmsd < 3.227) and (attr rmsd > 3.127)) and bondedto(attr rmsd < 52.437 and attr rmsd > 51.437)) ( attr rmsd < 3.224 and attr rmsd > 3.124) 6 6 0 peak 1651 ppm1 3.177 ppm2 3.174 volume 0.1733 assi ((( attr rmsd < 1.762) and (attr rmsd > 1.662)) and bondedto(attr rmsd < 52.486 and attr rmsd > 51.486)) ( attr rmsd < 1.768 and attr rmsd > 1.668) 6 6 0 peak 1652 ppm1 1.712 ppm2 1.718 volume 7.7451 assi ((( attr rmsd < 1.763) and (attr rmsd > 1.663)) and bondedto(attr rmsd < 52.528 and attr rmsd > 51.528)) ( attr rmsd < 1.508 and attr rmsd > 1.408) 6 6 0 peak 1653 ppm1 1.713 ppm2 1.458 volume 0.2792 assi ((( attr rmsd < 5.598) and (attr rmsd > 5.498)) and bondedto(attr rmsd < 76.012 and attr rmsd > 75.012)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 11654 ppm1 5.548 ppm2 4.771 volume 0.2488 assi ((( attr rmsd < 5.598) and (attr rmsd > 5.498)) and bondedto(attr rmsd < 28.492 and attr rmsd > 27.492)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 21654 ppm1 5.548 ppm2 4.771 volume 0.2488 assi ((( attr rmsd < 5.494) and (attr rmsd > 5.394)) and bondedto(attr rmsd < 76.022 and attr rmsd > 75.022)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 11655 ppm1 5.444 ppm2 4.771 volume 0.2744 assi ((( attr rmsd < 5.494) and (attr rmsd > 5.394)) and bondedto(attr rmsd < 28.502 and attr rmsd > 27.502)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 21655 ppm1 5.444 ppm2 4.771 volume 0.2744 assi ((( attr rmsd < 4.106) and (attr rmsd > 4.006)) and bondedto(attr rmsd < 76.064 and attr rmsd > 75.064)) ( attr rmsd < 4.830 and attr rmsd > 4.730) 6 6 0 peak 11656 ppm1 4.056 ppm2 4.780 volume 0.1699 assi ((( attr rmsd < 4.106) and (attr rmsd > 4.006)) and bondedto(attr rmsd < 28.544 and attr rmsd > 27.544)) ( attr rmsd < 4.830 and attr rmsd > 4.730) 6 6 0 peak 21656 ppm1 4.056 ppm2 4.780 volume 0.1699 assi ((( attr rmsd < 3.989) and (attr rmsd > 3.889)) and bondedto(attr rmsd < 76.093 and attr rmsd > 75.093)) ( attr rmsd < 3.991 and attr rmsd > 3.891) 6 6 0 peak 11657 ppm1 3.939 ppm2 3.941 volume 0.3768 assi ((( attr rmsd < 3.989) and (attr rmsd > 3.889)) and bondedto(attr rmsd < 28.573 and attr rmsd > 27.573)) ( attr rmsd < 3.991 and attr rmsd > 3.891) 6 6 0 peak 21657 ppm1 3.939 ppm2 3.941 volume 0.3768 assi ((( attr rmsd < 2.215) and (attr rmsd > 2.115)) and bondedto(attr rmsd < 76.028 and attr rmsd > 75.028)) ( attr rmsd < 4.819 and attr rmsd > 4.719) 6 6 0 peak 11658 ppm1 2.165 ppm2 4.769 volume 0.3964 assi ((( attr rmsd < 2.215) and (attr rmsd > 2.115)) and bondedto(attr rmsd < 28.508 and attr rmsd > 27.508)) ( attr rmsd < 4.819 and attr rmsd > 4.719) 6 6 0 peak 21658 ppm1 2.165 ppm2 4.769 volume 0.3964 assi ((( attr rmsd < 2.223) and (attr rmsd > 2.123)) and bondedto(attr rmsd < 76.105 and attr rmsd > 75.105)) ( attr rmsd < 4.665 and attr rmsd > 4.565) 6 6 0 peak 11659 ppm1 2.173 ppm2 4.615 volume 0.3468 assi ((( attr rmsd < 2.223) and (attr rmsd > 2.123)) and bondedto(attr rmsd < 28.585 and attr rmsd > 27.585)) ( attr rmsd < 4.665 and attr rmsd > 4.565) 6 6 0 peak 21659 ppm1 2.173 ppm2 4.615 volume 0.3468 assi ((( attr rmsd < 2.161) and (attr rmsd > 2.061)) and bondedto(attr rmsd < 76.021 and attr rmsd > 75.021)) ( attr rmsd < 4.819 and attr rmsd > 4.719) 6 6 0 peak 11660 ppm1 2.111 ppm2 4.769 volume 0.4333 assi ((( attr rmsd < 2.161) and (attr rmsd > 2.061)) and bondedto(attr rmsd < 28.501 and attr rmsd > 27.501)) ( attr rmsd < 4.819 and attr rmsd > 4.719) 6 6 0 peak 21660 ppm1 2.111 ppm2 4.769 volume 0.4333 assi ((( attr rmsd < 2.157) and (attr rmsd > 2.057)) and bondedto(attr rmsd < 76.133 and attr rmsd > 75.133)) ( attr rmsd < 4.663 and attr rmsd > 4.563) 6 6 0 peak 11661 ppm1 2.107 ppm2 4.613 volume 0.3303 assi ((( attr rmsd < 2.157) and (attr rmsd > 2.057)) and bondedto(attr rmsd < 28.613 and attr rmsd > 27.613)) ( attr rmsd < 4.663 and attr rmsd > 4.563) 6 6 0 peak 21661 ppm1 2.107 ppm2 4.613 volume 0.3303 assi ((( attr rmsd < 1.617) and (attr rmsd > 1.517)) and bondedto(attr rmsd < 76.127 and attr rmsd > 75.127)) ( attr rmsd < 3.186 and attr rmsd > 3.086) 6 6 0 peak 11662 ppm1 1.567 ppm2 3.136 volume 0.4399 assi ((( attr rmsd < 1.617) and (attr rmsd > 1.517)) and bondedto(attr rmsd < 28.607 and attr rmsd > 27.607)) ( attr rmsd < 3.186 and attr rmsd > 3.086) 6 6 0 peak 21662 ppm1 1.567 ppm2 3.136 volume 0.4399 assi ((( attr rmsd < 1.622) and (attr rmsd > 1.522)) and bondedto(attr rmsd < 76.126 and attr rmsd > 75.126)) ( attr rmsd < 1.520 and attr rmsd > 1.420) 6 6 0 peak 11663 ppm1 1.572 ppm2 1.470 volume 1.1701 assi ((( attr rmsd < 1.622) and (attr rmsd > 1.522)) and bondedto(attr rmsd < 28.606 and attr rmsd > 27.606)) ( attr rmsd < 1.520 and attr rmsd > 1.420) 6 6 0 peak 21663 ppm1 1.572 ppm2 1.470 volume 1.1701 assi ((( attr rmsd < 1.614) and (attr rmsd > 1.514)) and bondedto(attr rmsd < 76.103 and attr rmsd > 75.103)) ( attr rmsd < 4.714 and attr rmsd > 4.614) 6 6 0 peak 11664 ppm1 1.564 ppm2 4.664 volume 0.1616 assi ((( attr rmsd < 1.614) and (attr rmsd > 1.514)) and bondedto(attr rmsd < 28.583 and attr rmsd > 27.583)) ( attr rmsd < 4.714 and attr rmsd > 4.614) 6 6 0 peak 21664 ppm1 1.564 ppm2 4.664 volume 0.1616 assi ((( attr rmsd < 1.507) and (attr rmsd > 1.407)) and bondedto(attr rmsd < 76.030 and attr rmsd > 75.030)) ( attr rmsd < 1.877 and attr rmsd > 1.777) 6 6 0 peak 11665 ppm1 1.457 ppm2 1.827 volume 0.5254 assi ((( attr rmsd < 1.507) and (attr rmsd > 1.407)) and bondedto(attr rmsd < 28.510 and attr rmsd > 27.510)) ( attr rmsd < 1.877 and attr rmsd > 1.777) 6 6 0 peak 21665 ppm1 1.457 ppm2 1.827 volume 0.5254 assi ((( attr rmsd < 1.499) and (attr rmsd > 1.399)) and bondedto(attr rmsd < 76.090 and attr rmsd > 75.090)) ( attr rmsd < 4.716 and attr rmsd > 4.616) 6 6 0 peak 11666 ppm1 1.449 ppm2 4.666 volume 0.1916 assi ((( attr rmsd < 1.499) and (attr rmsd > 1.399)) and bondedto(attr rmsd < 28.570 and attr rmsd > 27.570)) ( attr rmsd < 4.716 and attr rmsd > 4.616) 6 6 0 peak 21666 ppm1 1.449 ppm2 4.666 volume 0.1916 assi ((( attr rmsd < 1.504) and (attr rmsd > 1.404)) and bondedto(attr rmsd < 76.121 and attr rmsd > 75.121)) ( attr rmsd < 3.183 and attr rmsd > 3.083) 6 6 0 peak 11667 ppm1 1.454 ppm2 3.133 volume 0.3983 assi ((( attr rmsd < 1.504) and (attr rmsd > 1.404)) and bondedto(attr rmsd < 28.601 and attr rmsd > 27.601)) ( attr rmsd < 3.183 and attr rmsd > 3.083) 6 6 0 peak 21667 ppm1 1.454 ppm2 3.133 volume 0.3983 assi ((( attr rmsd < 1.408) and (attr rmsd > 1.308)) and bondedto(attr rmsd < 76.064 and attr rmsd > 75.064)) ( attr rmsd < 4.596 and attr rmsd > 4.496) 6 6 0 peak 11668 ppm1 1.358 ppm2 4.546 volume 0.1996 assi ((( attr rmsd < 1.408) and (attr rmsd > 1.308)) and bondedto(attr rmsd < 28.544 and attr rmsd > 27.544)) ( attr rmsd < 4.596 and attr rmsd > 4.496) 6 6 0 peak 21668 ppm1 1.358 ppm2 4.546 volume 0.1996 assi ((( attr rmsd < 1.408) and (attr rmsd > 1.308)) and bondedto(attr rmsd < 76.029 and attr rmsd > 75.029)) ( attr rmsd < 0.954 and attr rmsd > 0.854) 6 6 0 peak 11669 ppm1 1.358 ppm2 0.904 volume 1.4450 assi ((( attr rmsd < 1.408) and (attr rmsd > 1.308)) and bondedto(attr rmsd < 28.509 and attr rmsd > 27.509)) ( attr rmsd < 0.954 and attr rmsd > 0.854) 6 6 0 peak 21669 ppm1 1.358 ppm2 0.904 volume 1.4450 assi ((( attr rmsd < 0.964) and (attr rmsd > 0.864)) and bondedto(attr rmsd < 76.040 and attr rmsd > 75.040)) ( attr rmsd < 1.760 and attr rmsd > 1.660) 6 6 0 peak 11670 ppm1 0.914 ppm2 1.710 volume 0.3672 assi ((( attr rmsd < 0.964) and (attr rmsd > 0.864)) and bondedto(attr rmsd < 28.520 and attr rmsd > 27.520)) ( attr rmsd < 1.760 and attr rmsd > 1.660) 6 6 0 peak 21670 ppm1 0.914 ppm2 1.710 volume 0.3672 assi ((( attr rmsd < 0.962) and (attr rmsd > 0.862)) and bondedto(attr rmsd < 76.105 and attr rmsd > 75.105)) ( attr rmsd < 1.417 and attr rmsd > 1.317) 6 6 0 peak 11671 ppm1 0.912 ppm2 1.367 volume 1.0728 assi ((( attr rmsd < 0.962) and (attr rmsd > 0.862)) and bondedto(attr rmsd < 28.585 and attr rmsd > 27.585)) ( attr rmsd < 1.417 and attr rmsd > 1.317) 6 6 0 peak 21671 ppm1 0.912 ppm2 1.367 volume 1.0728 assi ((( attr rmsd < 0.967) and (attr rmsd > 0.867)) and bondedto(attr rmsd < 76.091 and attr rmsd > 75.091)) ( attr rmsd < 0.968 and attr rmsd > 0.868) 6 6 0 peak 11672 ppm1 0.917 ppm2 0.918 volume 2.0166 assi ((( attr rmsd < 0.967) and (attr rmsd > 0.867)) and bondedto(attr rmsd < 28.571 and attr rmsd > 27.571)) ( attr rmsd < 0.968 and attr rmsd > 0.868) 6 6 0 peak 21672 ppm1 0.917 ppm2 0.918 volume 2.0166 assi ((( attr rmsd < 0.962) and (attr rmsd > 0.862)) and bondedto(attr rmsd < 76.104 and attr rmsd > 75.104)) ( attr rmsd < 0.823 and attr rmsd > 0.723) 6 6 0 peak 11673 ppm1 0.912 ppm2 0.773 volume 1.5386 assi ((( attr rmsd < 0.962) and (attr rmsd > 0.862)) and bondedto(attr rmsd < 28.584 and attr rmsd > 27.584)) ( attr rmsd < 0.823 and attr rmsd > 0.723) 6 6 0 peak 21673 ppm1 0.912 ppm2 0.773 volume 1.5386 assi ((( attr rmsd < 0.955) and (attr rmsd > 0.855)) and bondedto(attr rmsd < 76.077 and attr rmsd > 75.077)) ( attr rmsd < 4.593 and attr rmsd > 4.493) 6 6 0 peak 11674 ppm1 0.905 ppm2 4.543 volume 0.1694 assi ((( attr rmsd < 0.955) and (attr rmsd > 0.855)) and bondedto(attr rmsd < 28.557 and attr rmsd > 27.557)) ( attr rmsd < 4.593 and attr rmsd > 4.493) 6 6 0 peak 21674 ppm1 0.905 ppm2 4.543 volume 0.1694 assi ((( attr rmsd < 0.823) and (attr rmsd > 0.723)) and bondedto(attr rmsd < 76.097 and attr rmsd > 75.097)) ( attr rmsd < 0.971 and attr rmsd > 0.871) 6 6 0 peak 11675 ppm1 0.773 ppm2 0.921 volume 0.3736 assi ((( attr rmsd < 0.823) and (attr rmsd > 0.723)) and bondedto(attr rmsd < 28.577 and attr rmsd > 27.577)) ( attr rmsd < 0.971 and attr rmsd > 0.871) 6 6 0 peak 21675 ppm1 0.773 ppm2 0.921 volume 0.3736 assi ((( attr rmsd < 4.895) and (attr rmsd > 4.795)) and bondedto(attr rmsd < 52.298 and attr rmsd > 51.298)) ( attr rmsd < 4.780 and attr rmsd > 4.680) 6 6 0 peak 1676 ppm1 4.845 ppm2 4.730 volume 0.3201 assi ((( attr rmsd < 2.146) and (attr rmsd > 2.046)) and bondedto(attr rmsd < 52.268 and attr rmsd > 51.268)) ( attr rmsd < 0.611 and attr rmsd > 0.511) 6 6 0 peak 1677 ppm1 2.096 ppm2 0.561 volume 0.1511 assi ((( attr rmsd < 2.127) and (attr rmsd > 2.027)) and bondedto(attr rmsd < 52.240 and attr rmsd > 51.240)) ( attr rmsd < 0.549 and attr rmsd > 0.449) 6 6 0 peak 1678 ppm1 2.077 ppm2 0.499 volume 0.1497 assi ((( attr rmsd < 2.082) and (attr rmsd > 1.982)) and bondedto(attr rmsd < 52.252 and attr rmsd > 51.252)) ( attr rmsd < 1.950 and attr rmsd > 1.850) 6 6 0 peak 1679 ppm1 2.032 ppm2 1.900 volume 0.2683 assi ((( attr rmsd < 0.945) and (attr rmsd > 0.845)) and bondedto(attr rmsd < 52.352 and attr rmsd > 51.352)) ( attr rmsd < 0.712 and attr rmsd > 0.612) 6 6 0 peak 1680 ppm1 0.895 ppm2 0.662 volume 0.1748 assi ((( attr rmsd < 4.070) and (attr rmsd > 3.970)) and bondedto(attr rmsd < 75.933 and attr rmsd > 74.933)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11681 ppm1 4.020 ppm2 4.775 volume 0.1612 assi ((( attr rmsd < 4.070) and (attr rmsd > 3.970)) and bondedto(attr rmsd < 28.413 and attr rmsd > 27.413)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21681 ppm1 4.020 ppm2 4.775 volume 0.1612 assi ((( attr rmsd < 3.794) and (attr rmsd > 3.694)) and bondedto(attr rmsd < 75.865 and attr rmsd > 74.865)) ( attr rmsd < 3.794 and attr rmsd > 3.694) 6 6 0 peak 11682 ppm1 3.744 ppm2 3.744 volume 1.0642 assi ((( attr rmsd < 3.794) and (attr rmsd > 3.694)) and bondedto(attr rmsd < 28.345 and attr rmsd > 27.345)) ( attr rmsd < 3.794 and attr rmsd > 3.694) 6 6 0 peak 21682 ppm1 3.744 ppm2 3.744 volume 1.0642 assi ((( attr rmsd < 2.234) and (attr rmsd > 2.134)) and bondedto(attr rmsd < 75.805 and attr rmsd > 74.805)) ( attr rmsd < 3.886 and attr rmsd > 3.786) 6 6 0 peak 11683 ppm1 2.184 ppm2 3.836 volume 0.5737 assi ((( attr rmsd < 2.234) and (attr rmsd > 2.134)) and bondedto(attr rmsd < 28.285 and attr rmsd > 27.285)) ( attr rmsd < 3.886 and attr rmsd > 3.786) 6 6 0 peak 21683 ppm1 2.184 ppm2 3.836 volume 0.5737 assi ((( attr rmsd < 2.198) and (attr rmsd > 2.098)) and bondedto(attr rmsd < 75.839 and attr rmsd > 74.839)) ( attr rmsd < 5.071 and attr rmsd > 4.971) 6 6 0 peak 11684 ppm1 2.148 ppm2 5.021 volume 0.2364 assi ((( attr rmsd < 2.198) and (attr rmsd > 2.098)) and bondedto(attr rmsd < 28.319 and attr rmsd > 27.319)) ( attr rmsd < 5.071 and attr rmsd > 4.971) 6 6 0 peak 21684 ppm1 2.148 ppm2 5.021 volume 0.2364 assi ((( attr rmsd < 2.196) and (attr rmsd > 2.096)) and bondedto(attr rmsd < 75.944 and attr rmsd > 74.944)) ( attr rmsd < 3.991 and attr rmsd > 3.891) 6 6 0 peak 11685 ppm1 2.146 ppm2 3.941 volume 1.2303 assi ((( attr rmsd < 2.196) and (attr rmsd > 2.096)) and bondedto(attr rmsd < 28.424 and attr rmsd > 27.424)) ( attr rmsd < 3.991 and attr rmsd > 3.891) 6 6 0 peak 21685 ppm1 2.146 ppm2 3.941 volume 1.2303 assi ((( attr rmsd < 2.205) and (attr rmsd > 2.105)) and bondedto(attr rmsd < 75.901 and attr rmsd > 74.901)) ( attr rmsd < 2.201 and attr rmsd > 2.101) 6 6 0 peak 11686 ppm1 2.155 ppm2 2.151 volume 7.3497 assi ((( attr rmsd < 2.205) and (attr rmsd > 2.105)) and bondedto(attr rmsd < 28.381 and attr rmsd > 27.381)) ( attr rmsd < 2.201 and attr rmsd > 2.101) 6 6 0 peak 21686 ppm1 2.155 ppm2 2.151 volume 7.3497 assi ((( attr rmsd < 2.191) and (attr rmsd > 2.091)) and bondedto(attr rmsd < 75.913 and attr rmsd > 74.913)) ( attr rmsd < 4.589 and attr rmsd > 4.489) 6 6 0 peak 11687 ppm1 2.141 ppm2 4.539 volume 0.2705 assi ((( attr rmsd < 2.191) and (attr rmsd > 2.091)) and bondedto(attr rmsd < 28.393 and attr rmsd > 27.393)) ( attr rmsd < 4.589 and attr rmsd > 4.489) 6 6 0 peak 21687 ppm1 2.141 ppm2 4.539 volume 0.2705 assi ((( attr rmsd < 2.172) and (attr rmsd > 2.072)) and bondedto(attr rmsd < 75.936 and attr rmsd > 74.936)) ( attr rmsd < 2.516 and attr rmsd > 2.416) 6 6 0 peak 11688 ppm1 2.122 ppm2 2.466 volume 1.4444 assi ((( attr rmsd < 2.172) and (attr rmsd > 2.072)) and bondedto(attr rmsd < 28.416 and attr rmsd > 27.416)) ( attr rmsd < 2.516 and attr rmsd > 2.416) 6 6 0 peak 21688 ppm1 2.122 ppm2 2.466 volume 1.4444 assi ((( attr rmsd < 2.093) and (attr rmsd > 1.993)) and bondedto(attr rmsd < 75.914 and attr rmsd > 74.914)) ( attr rmsd < 4.583 and attr rmsd > 4.483) 6 6 0 peak 11689 ppm1 2.043 ppm2 4.533 volume 0.2746 assi ((( attr rmsd < 2.093) and (attr rmsd > 1.993)) and bondedto(attr rmsd < 28.394 and attr rmsd > 27.394)) ( attr rmsd < 4.583 and attr rmsd > 4.483) 6 6 0 peak 21689 ppm1 2.043 ppm2 4.533 volume 0.2746 assi ((( attr rmsd < 2.078) and (attr rmsd > 1.978)) and bondedto(attr rmsd < 75.811 and attr rmsd > 74.811)) ( attr rmsd < 5.065 and attr rmsd > 4.965) 6 6 0 peak 11690 ppm1 2.028 ppm2 5.015 volume 0.2162 assi ((( attr rmsd < 2.078) and (attr rmsd > 1.978)) and bondedto(attr rmsd < 28.291 and attr rmsd > 27.291)) ( attr rmsd < 5.065 and attr rmsd > 4.965) 6 6 0 peak 21690 ppm1 2.028 ppm2 5.015 volume 0.2162 assi ((( attr rmsd < 1.672) and (attr rmsd > 1.572)) and bondedto(attr rmsd < 75.876 and attr rmsd > 74.876)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 11691 ppm1 1.622 ppm2 0.934 volume 0.3738 assi ((( attr rmsd < 1.672) and (attr rmsd > 1.572)) and bondedto(attr rmsd < 28.356 and attr rmsd > 27.356)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 21691 ppm1 1.622 ppm2 0.934 volume 0.3738 assi ((( attr rmsd < 1.617) and (attr rmsd > 1.517)) and bondedto(attr rmsd < 75.811 and attr rmsd > 74.811)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 11692 ppm1 1.567 ppm2 4.773 volume 0.3686 assi ((( attr rmsd < 1.617) and (attr rmsd > 1.517)) and bondedto(attr rmsd < 28.291 and attr rmsd > 27.291)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 21692 ppm1 1.567 ppm2 4.773 volume 0.3686 assi ((( attr rmsd < 1.511) and (attr rmsd > 1.411)) and bondedto(attr rmsd < 75.847 and attr rmsd > 74.847)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11693 ppm1 1.461 ppm2 4.774 volume 0.5372 assi ((( attr rmsd < 1.511) and (attr rmsd > 1.411)) and bondedto(attr rmsd < 28.327 and attr rmsd > 27.327)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21693 ppm1 1.461 ppm2 4.774 volume 0.5372 assi ((( attr rmsd < 1.426) and (attr rmsd > 1.326)) and bondedto(attr rmsd < 75.911 and attr rmsd > 74.911)) ( attr rmsd < 2.815 and attr rmsd > 2.715) 6 6 0 peak 11694 ppm1 1.376 ppm2 2.765 volume 0.1678 assi ((( attr rmsd < 1.426) and (attr rmsd > 1.326)) and bondedto(attr rmsd < 28.391 and attr rmsd > 27.391)) ( attr rmsd < 2.815 and attr rmsd > 2.715) 6 6 0 peak 21694 ppm1 1.376 ppm2 2.765 volume 0.1678 assi ((( attr rmsd < 1.403) and (attr rmsd > 1.303)) and bondedto(attr rmsd < 75.849 and attr rmsd > 74.849)) ( attr rmsd < 1.964 and attr rmsd > 1.864) 6 6 0 peak 11695 ppm1 1.353 ppm2 1.914 volume 0.1540 assi ((( attr rmsd < 1.403) and (attr rmsd > 1.303)) and bondedto(attr rmsd < 28.329 and attr rmsd > 27.329)) ( attr rmsd < 1.964 and attr rmsd > 1.864) 6 6 0 peak 21695 ppm1 1.353 ppm2 1.914 volume 0.1540 assi ((( attr rmsd < 1.400) and (attr rmsd > 1.300)) and bondedto(attr rmsd < 75.811 and attr rmsd > 74.811)) ( attr rmsd < 1.728 and attr rmsd > 1.628) 6 6 0 peak 11696 ppm1 1.350 ppm2 1.678 volume 0.8885 assi ((( attr rmsd < 1.400) and (attr rmsd > 1.300)) and bondedto(attr rmsd < 28.291 and attr rmsd > 27.291)) ( attr rmsd < 1.728 and attr rmsd > 1.628) 6 6 0 peak 21696 ppm1 1.350 ppm2 1.678 volume 0.8885 assi ((( attr rmsd < 1.401) and (attr rmsd > 1.301)) and bondedto(attr rmsd < 75.865 and attr rmsd > 74.865)) ( attr rmsd < 1.408 and attr rmsd > 1.308) 6 6 0 peak 11697 ppm1 1.351 ppm2 1.358 volume 3.4970 assi ((( attr rmsd < 1.401) and (attr rmsd > 1.301)) and bondedto(attr rmsd < 28.345 and attr rmsd > 27.345)) ( attr rmsd < 1.408 and attr rmsd > 1.308) 6 6 0 peak 21697 ppm1 1.351 ppm2 1.358 volume 3.4970 assi ((( attr rmsd < 1.399) and (attr rmsd > 1.299)) and bondedto(attr rmsd < 75.930 and attr rmsd > 74.930)) ( attr rmsd < 0.820 and attr rmsd > 0.720) 6 6 0 peak 11698 ppm1 1.349 ppm2 0.770 volume 1.6702 assi ((( attr rmsd < 1.399) and (attr rmsd > 1.299)) and bondedto(attr rmsd < 28.410 and attr rmsd > 27.410)) ( attr rmsd < 0.820 and attr rmsd > 0.720) 6 6 0 peak 21698 ppm1 1.349 ppm2 0.770 volume 1.6702 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 75.884 and attr rmsd > 74.884)) ( attr rmsd < 1.675 and attr rmsd > 1.575) 6 6 0 peak 11699 ppm1 0.931 ppm2 1.625 volume 0.3871 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 28.364 and attr rmsd > 27.364)) ( attr rmsd < 1.675 and attr rmsd > 1.575) 6 6 0 peak 21699 ppm1 0.931 ppm2 1.625 volume 0.3871 assi ((( attr rmsd < 0.796) and (attr rmsd > 0.696)) and bondedto(attr rmsd < 75.809 and attr rmsd > 74.809)) ( attr rmsd < 1.684 and attr rmsd > 1.584) 6 6 0 peak 11700 ppm1 0.746 ppm2 1.634 volume 0.1688 assi ((( attr rmsd < 0.796) and (attr rmsd > 0.696)) and bondedto(attr rmsd < 28.289 and attr rmsd > 27.289)) ( attr rmsd < 1.684 and attr rmsd > 1.584) 6 6 0 peak 21700 ppm1 0.746 ppm2 1.634 volume 0.1688 assi ((( attr rmsd < 0.775) and (attr rmsd > 0.675)) and bondedto(attr rmsd < 75.891 and attr rmsd > 74.891)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11701 ppm1 0.725 ppm2 4.775 volume 0.2368 assi ((( attr rmsd < 0.775) and (attr rmsd > 0.675)) and bondedto(attr rmsd < 28.371 and attr rmsd > 27.371)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21701 ppm1 0.725 ppm2 4.775 volume 0.2368 assi ((( attr rmsd < 4.889) and (attr rmsd > 4.789)) and bondedto(attr rmsd < 52.120 and attr rmsd > 51.120)) ( attr rmsd < 2.202 and attr rmsd > 2.102) 6 6 0 peak 1702 ppm1 4.839 ppm2 2.152 volume 0.4263 assi ((( attr rmsd < 4.833) and (attr rmsd > 4.733)) and bondedto(attr rmsd < 52.113 and attr rmsd > 51.113)) ( attr rmsd < 2.202 and attr rmsd > 2.102) 6 6 0 peak 1703 ppm1 4.783 ppm2 2.152 volume 0.2539 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 52.095 and attr rmsd > 51.095)) ( attr rmsd < 2.199 and attr rmsd > 2.099) 6 6 0 peak 1704 ppm1 4.707 ppm2 2.149 volume 0.3925 assi ((( attr rmsd < 3.865) and (attr rmsd > 3.765)) and bondedto(attr rmsd < 52.166 and attr rmsd > 51.166)) ( attr rmsd < 3.867 and attr rmsd > 3.767) 6 6 0 peak 1705 ppm1 3.815 ppm2 3.817 volume 0.8746 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 52.176 and attr rmsd > 51.176)) ( attr rmsd < 3.649 and attr rmsd > 3.549) 6 6 0 peak 1706 ppm1 3.810 ppm2 3.599 volume 0.3267 assi ((( attr rmsd < 3.729) and (attr rmsd > 3.629)) and bondedto(attr rmsd < 52.191 and attr rmsd > 51.191)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 1707 ppm1 3.679 ppm2 3.598 volume 0.4947 assi ((( attr rmsd < 3.667) and (attr rmsd > 3.567)) and bondedto(attr rmsd < 52.183 and attr rmsd > 51.183)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 1708 ppm1 3.617 ppm2 3.598 volume 0.1661 assi ((( attr rmsd < 2.189) and (attr rmsd > 2.089)) and bondedto(attr rmsd < 52.193 and attr rmsd > 51.193)) ( attr rmsd < 1.390 and attr rmsd > 1.290) 6 6 0 peak 1709 ppm1 2.139 ppm2 1.340 volume 0.1651 assi ((( attr rmsd < 2.212) and (attr rmsd > 2.112)) and bondedto(attr rmsd < 75.698 and attr rmsd > 74.698)) ( attr rmsd < 3.752 and attr rmsd > 3.652) 6 6 0 peak 11710 ppm1 2.162 ppm2 3.702 volume 0.3386 assi ((( attr rmsd < 2.212) and (attr rmsd > 2.112)) and bondedto(attr rmsd < 28.178 and attr rmsd > 27.178)) ( attr rmsd < 3.752 and attr rmsd > 3.652) 6 6 0 peak 21710 ppm1 2.162 ppm2 3.702 volume 0.3386 assi ((( attr rmsd < 2.213) and (attr rmsd > 2.113)) and bondedto(attr rmsd < 75.701 and attr rmsd > 74.701)) ( attr rmsd < 3.643 and attr rmsd > 3.543) 6 6 0 peak 11711 ppm1 2.163 ppm2 3.593 volume 0.3946 assi ((( attr rmsd < 2.213) and (attr rmsd > 2.113)) and bondedto(attr rmsd < 28.181 and attr rmsd > 27.181)) ( attr rmsd < 3.643 and attr rmsd > 3.543) 6 6 0 peak 21711 ppm1 2.163 ppm2 3.593 volume 0.3946 assi ((( attr rmsd < 2.211) and (attr rmsd > 2.111)) and bondedto(attr rmsd < 75.699 and attr rmsd > 74.699)) ( attr rmsd < 0.872 and attr rmsd > 0.772) 6 6 0 peak 11712 ppm1 2.161 ppm2 0.822 volume 0.3025 assi ((( attr rmsd < 2.211) and (attr rmsd > 2.111)) and bondedto(attr rmsd < 28.179 and attr rmsd > 27.179)) ( attr rmsd < 0.872 and attr rmsd > 0.772) 6 6 0 peak 21712 ppm1 2.161 ppm2 0.822 volume 0.3025 assi ((( attr rmsd < 2.066) and (attr rmsd > 1.966)) and bondedto(attr rmsd < 75.694 and attr rmsd > 74.694)) ( attr rmsd < 4.157 and attr rmsd > 4.057) 6 6 0 peak 11713 ppm1 2.016 ppm2 4.107 volume 0.2848 assi ((( attr rmsd < 2.066) and (attr rmsd > 1.966)) and bondedto(attr rmsd < 28.174 and attr rmsd > 27.174)) ( attr rmsd < 4.157 and attr rmsd > 4.057) 6 6 0 peak 21713 ppm1 2.016 ppm2 4.107 volume 0.2848 assi ((( attr rmsd < 2.069) and (attr rmsd > 1.969)) and bondedto(attr rmsd < 75.668 and attr rmsd > 74.668)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 11714 ppm1 2.019 ppm2 3.595 volume 0.3803 assi ((( attr rmsd < 2.069) and (attr rmsd > 1.969)) and bondedto(attr rmsd < 28.148 and attr rmsd > 27.148)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 21714 ppm1 2.019 ppm2 3.595 volume 0.3803 assi ((( attr rmsd < 2.060) and (attr rmsd > 1.960)) and bondedto(attr rmsd < 75.602 and attr rmsd > 74.602)) ( attr rmsd < 2.369 and attr rmsd > 2.269) 6 6 0 peak 11715 ppm1 2.010 ppm2 2.319 volume 1.0292 assi ((( attr rmsd < 2.060) and (attr rmsd > 1.960)) and bondedto(attr rmsd < 28.082 and attr rmsd > 27.082)) ( attr rmsd < 2.369 and attr rmsd > 2.269) 6 6 0 peak 21715 ppm1 2.010 ppm2 2.319 volume 1.0292 assi ((( attr rmsd < 2.060) and (attr rmsd > 1.960)) and bondedto(attr rmsd < 75.696 and attr rmsd > 74.696)) ( attr rmsd < 0.876 and attr rmsd > 0.776) 6 6 0 peak 11716 ppm1 2.010 ppm2 0.826 volume 0.3610 assi ((( attr rmsd < 2.060) and (attr rmsd > 1.960)) and bondedto(attr rmsd < 28.176 and attr rmsd > 27.176)) ( attr rmsd < 0.876 and attr rmsd > 0.776) 6 6 0 peak 21716 ppm1 2.010 ppm2 0.826 volume 0.3610 assi ((( attr rmsd < 1.444) and (attr rmsd > 1.344)) and bondedto(attr rmsd < 75.681 and attr rmsd > 74.681)) ( attr rmsd < 5.132 and attr rmsd > 5.032) 6 6 0 peak 11717 ppm1 1.394 ppm2 5.082 volume 0.1523 assi ((( attr rmsd < 1.444) and (attr rmsd > 1.344)) and bondedto(attr rmsd < 28.161 and attr rmsd > 27.161)) ( attr rmsd < 5.132 and attr rmsd > 5.032) 6 6 0 peak 21717 ppm1 1.394 ppm2 5.082 volume 0.1523 assi ((( attr rmsd < 1.397) and (attr rmsd > 1.297)) and bondedto(attr rmsd < 75.693 and attr rmsd > 74.693)) ( attr rmsd < 5.014 and attr rmsd > 4.914) 6 6 0 peak 11718 ppm1 1.347 ppm2 4.964 volume 0.2174 assi ((( attr rmsd < 1.397) and (attr rmsd > 1.297)) and bondedto(attr rmsd < 28.173 and attr rmsd > 27.173)) ( attr rmsd < 5.014 and attr rmsd > 4.914) 6 6 0 peak 21718 ppm1 1.347 ppm2 4.964 volume 0.2174 assi ((( attr rmsd < 1.395) and (attr rmsd > 1.295)) and bondedto(attr rmsd < 75.723 and attr rmsd > 74.723)) ( attr rmsd < 2.105 and attr rmsd > 2.005) 6 6 0 peak 11719 ppm1 1.345 ppm2 2.055 volume 0.1519 assi ((( attr rmsd < 1.395) and (attr rmsd > 1.295)) and bondedto(attr rmsd < 28.203 and attr rmsd > 27.203)) ( attr rmsd < 2.105 and attr rmsd > 2.005) 6 6 0 peak 21719 ppm1 1.345 ppm2 2.055 volume 0.1519 assi ((( attr rmsd < 1.380) and (attr rmsd > 1.280)) and bondedto(attr rmsd < 75.701 and attr rmsd > 74.701)) ( attr rmsd < 4.698 and attr rmsd > 4.598) 6 6 0 peak 11720 ppm1 1.330 ppm2 4.648 volume 0.2972 assi ((( attr rmsd < 1.380) and (attr rmsd > 1.280)) and bondedto(attr rmsd < 28.181 and attr rmsd > 27.181)) ( attr rmsd < 4.698 and attr rmsd > 4.598) 6 6 0 peak 21720 ppm1 1.330 ppm2 4.648 volume 0.2972 assi ((( attr rmsd < 1.374) and (attr rmsd > 1.274)) and bondedto(attr rmsd < 75.689 and attr rmsd > 74.689)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 11721 ppm1 1.324 ppm2 0.545 volume 0.2291 assi ((( attr rmsd < 1.374) and (attr rmsd > 1.274)) and bondedto(attr rmsd < 28.169 and attr rmsd > 27.169)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 21721 ppm1 1.324 ppm2 0.545 volume 0.2291 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 75.641 and attr rmsd > 74.641)) ( attr rmsd < 4.698 and attr rmsd > 4.598) 6 6 0 peak 11722 ppm1 0.741 ppm2 4.648 volume 0.2112 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 28.121 and attr rmsd > 27.121)) ( attr rmsd < 4.698 and attr rmsd > 4.598) 6 6 0 peak 21722 ppm1 0.741 ppm2 4.648 volume 0.2112 assi ((( attr rmsd < 0.794) and (attr rmsd > 0.694)) and bondedto(attr rmsd < 75.691 and attr rmsd > 74.691)) ( attr rmsd < 1.383 and attr rmsd > 1.283) 6 6 0 peak 11723 ppm1 0.744 ppm2 1.333 volume 0.7184 assi ((( attr rmsd < 0.794) and (attr rmsd > 0.694)) and bondedto(attr rmsd < 28.171 and attr rmsd > 27.171)) ( attr rmsd < 1.383 and attr rmsd > 1.283) 6 6 0 peak 21723 ppm1 0.744 ppm2 1.333 volume 0.7184 assi ((( attr rmsd < 0.797) and (attr rmsd > 0.697)) and bondedto(attr rmsd < 75.652 and attr rmsd > 74.652)) ( attr rmsd < 0.783 and attr rmsd > 0.683) 6 6 0 peak 11724 ppm1 0.747 ppm2 0.733 volume 1.1315 assi ((( attr rmsd < 0.797) and (attr rmsd > 0.697)) and bondedto(attr rmsd < 28.132 and attr rmsd > 27.132)) ( attr rmsd < 0.783 and attr rmsd > 0.683) 6 6 0 peak 21724 ppm1 0.747 ppm2 0.733 volume 1.1315 assi ((( attr rmsd < 0.788) and (attr rmsd > 0.688)) and bondedto(attr rmsd < 75.723 and attr rmsd > 74.723)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 11725 ppm1 0.738 ppm2 0.545 volume 0.2731 assi ((( attr rmsd < 0.788) and (attr rmsd > 0.688)) and bondedto(attr rmsd < 28.203 and attr rmsd > 27.203)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 21725 ppm1 0.738 ppm2 0.545 volume 0.2731 assi ((( attr rmsd < 0.702) and (attr rmsd > 0.602)) and bondedto(attr rmsd < 75.675 and attr rmsd > 74.675)) ( attr rmsd < 1.378 and attr rmsd > 1.278) 6 6 0 peak 11726 ppm1 0.652 ppm2 1.328 volume 0.2864 assi ((( attr rmsd < 0.702) and (attr rmsd > 0.602)) and bondedto(attr rmsd < 28.155 and attr rmsd > 27.155)) ( attr rmsd < 1.378 and attr rmsd > 1.278) 6 6 0 peak 21726 ppm1 0.652 ppm2 1.328 volume 0.2864 assi ((( attr rmsd < 0.704) and (attr rmsd > 0.604)) and bondedto(attr rmsd < 75.692 and attr rmsd > 74.692)) ( attr rmsd < 0.776 and attr rmsd > 0.676) 6 6 0 peak 11727 ppm1 0.654 ppm2 0.726 volume 0.3825 assi ((( attr rmsd < 0.704) and (attr rmsd > 0.604)) and bondedto(attr rmsd < 28.172 and attr rmsd > 27.172)) ( attr rmsd < 0.776 and attr rmsd > 0.676) 6 6 0 peak 21727 ppm1 0.654 ppm2 0.726 volume 0.3825 assi ((( attr rmsd < 2.215) and (attr rmsd > 2.115)) and bondedto(attr rmsd < 51.901 and attr rmsd > 50.901)) ( attr rmsd < 1.659 and attr rmsd > 1.559) 6 6 0 peak 1728 ppm1 2.165 ppm2 1.609 volume 0.1697 assi ((( attr rmsd < 2.078) and (attr rmsd > 1.978)) and bondedto(attr rmsd < 51.915 and attr rmsd > 50.915)) ( attr rmsd < 1.406 and attr rmsd > 1.306) 6 6 0 peak 1729 ppm1 2.028 ppm2 1.356 volume 0.1577 assi ((( attr rmsd < 1.540) and (attr rmsd > 1.440)) and bondedto(attr rmsd < 51.921 and attr rmsd > 50.921)) ( attr rmsd < 1.038 and attr rmsd > 0.938) 6 6 0 peak 1730 ppm1 1.490 ppm2 0.988 volume 0.1702 assi ((( attr rmsd < 1.011) and (attr rmsd > 0.911)) and bondedto(attr rmsd < 51.962 and attr rmsd > 50.962)) ( attr rmsd < 1.542 and attr rmsd > 1.442) 6 6 0 peak 1731 ppm1 0.961 ppm2 1.492 volume 0.1944 assi ((( attr rmsd < 1.019) and (attr rmsd > 0.919)) and bondedto(attr rmsd < 51.890 and attr rmsd > 50.890)) ( attr rmsd < 1.028 and attr rmsd > 0.928) 6 6 0 peak 1732 ppm1 0.969 ppm2 0.978 volume 0.3827 assi ((( attr rmsd < 0.932) and (attr rmsd > 0.832)) and bondedto(attr rmsd < 51.868 and attr rmsd > 50.868)) ( attr rmsd < 0.905 and attr rmsd > 0.805) 6 6 0 peak 1733 ppm1 0.882 ppm2 0.855 volume 0.1625 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 75.487 and attr rmsd > 74.487)) ( attr rmsd < 3.092 and attr rmsd > 2.992) 6 6 0 peak 11734 ppm1 3.029 ppm2 3.042 volume 0.2381 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 27.967 and attr rmsd > 26.967)) ( attr rmsd < 3.092 and attr rmsd > 2.992) 6 6 0 peak 21734 ppm1 3.029 ppm2 3.042 volume 0.2381 assi ((( attr rmsd < 2.058) and (attr rmsd > 1.958)) and bondedto(attr rmsd < 75.465 and attr rmsd > 74.465)) ( attr rmsd < 4.500 and attr rmsd > 4.400) 6 6 0 peak 11735 ppm1 2.008 ppm2 4.450 volume 0.2183 assi ((( attr rmsd < 2.058) and (attr rmsd > 1.958)) and bondedto(attr rmsd < 27.945 and attr rmsd > 26.945)) ( attr rmsd < 4.500 and attr rmsd > 4.400) 6 6 0 peak 21735 ppm1 2.008 ppm2 4.450 volume 0.2183 assi ((( attr rmsd < 2.061) and (attr rmsd > 1.961)) and bondedto(attr rmsd < 75.539 and attr rmsd > 74.539)) ( attr rmsd < 3.773 and attr rmsd > 3.673) 6 6 0 peak 11736 ppm1 2.011 ppm2 3.723 volume 0.6137 assi ((( attr rmsd < 2.061) and (attr rmsd > 1.961)) and bondedto(attr rmsd < 28.019 and attr rmsd > 27.019)) ( attr rmsd < 3.773 and attr rmsd > 3.673) 6 6 0 peak 21736 ppm1 2.011 ppm2 3.723 volume 0.6137 assi ((( attr rmsd < 2.065) and (attr rmsd > 1.965)) and bondedto(attr rmsd < 75.535 and attr rmsd > 74.535)) ( attr rmsd < 2.065 and attr rmsd > 1.965) 6 6 0 peak 11737 ppm1 2.015 ppm2 2.015 volume 8.4879 assi ((( attr rmsd < 2.065) and (attr rmsd > 1.965)) and bondedto(attr rmsd < 28.015 and attr rmsd > 27.015)) ( attr rmsd < 2.065 and attr rmsd > 1.965) 6 6 0 peak 21737 ppm1 2.015 ppm2 2.015 volume 8.4879 assi ((( attr rmsd < 1.918) and (attr rmsd > 1.818)) and bondedto(attr rmsd < 75.403 and attr rmsd > 74.403)) ( attr rmsd < 1.256 and attr rmsd > 1.156) 6 6 0 peak 11738 ppm1 1.868 ppm2 1.206 volume 0.2036 assi ((( attr rmsd < 1.918) and (attr rmsd > 1.818)) and bondedto(attr rmsd < 27.883 and attr rmsd > 26.883)) ( attr rmsd < 1.256 and attr rmsd > 1.156) 6 6 0 peak 21738 ppm1 1.868 ppm2 1.206 volume 0.2036 assi ((( attr rmsd < 1.546) and (attr rmsd > 1.446)) and bondedto(attr rmsd < 75.496 and attr rmsd > 74.496)) ( attr rmsd < 4.201 and attr rmsd > 4.101) 6 6 0 peak 11739 ppm1 1.496 ppm2 4.151 volume 0.1597 assi ((( attr rmsd < 1.546) and (attr rmsd > 1.446)) and bondedto(attr rmsd < 27.976 and attr rmsd > 26.976)) ( attr rmsd < 4.201 and attr rmsd > 4.101) 6 6 0 peak 21739 ppm1 1.496 ppm2 4.151 volume 0.1597 assi ((( attr rmsd < 1.540) and (attr rmsd > 1.440)) and bondedto(attr rmsd < 75.560 and attr rmsd > 74.560)) ( attr rmsd < 1.918 and attr rmsd > 1.818) 6 6 0 peak 11740 ppm1 1.490 ppm2 1.868 volume 0.4658 assi ((( attr rmsd < 1.540) and (attr rmsd > 1.440)) and bondedto(attr rmsd < 28.040 and attr rmsd > 27.040)) ( attr rmsd < 1.918 and attr rmsd > 1.818) 6 6 0 peak 21740 ppm1 1.490 ppm2 1.868 volume 0.4658 assi ((( attr rmsd < 1.539) and (attr rmsd > 1.439)) and bondedto(attr rmsd < 75.436 and attr rmsd > 74.436)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 11741 ppm1 1.489 ppm2 1.207 volume 2.6933 assi ((( attr rmsd < 1.539) and (attr rmsd > 1.439)) and bondedto(attr rmsd < 27.916 and attr rmsd > 26.916)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 21741 ppm1 1.489 ppm2 1.207 volume 2.6933 assi ((( attr rmsd < 1.545) and (attr rmsd > 1.445)) and bondedto(attr rmsd < 75.442 and attr rmsd > 74.442)) ( attr rmsd < 0.932 and attr rmsd > 0.832) 6 6 0 peak 11742 ppm1 1.495 ppm2 0.882 volume 1.2852 assi ((( attr rmsd < 1.545) and (attr rmsd > 1.445)) and bondedto(attr rmsd < 27.922 and attr rmsd > 26.922)) ( attr rmsd < 0.932 and attr rmsd > 0.832) 6 6 0 peak 21742 ppm1 1.495 ppm2 0.882 volume 1.2852 assi ((( attr rmsd < 1.536) and (attr rmsd > 1.436)) and bondedto(attr rmsd < 75.429 and attr rmsd > 74.429)) ( attr rmsd < 1.540 and attr rmsd > 1.440) 6 6 0 peak 11743 ppm1 1.486 ppm2 1.490 volume 9.1481 assi ((( attr rmsd < 1.536) and (attr rmsd > 1.436)) and bondedto(attr rmsd < 27.909 and attr rmsd > 26.909)) ( attr rmsd < 1.540 and attr rmsd > 1.440) 6 6 0 peak 21743 ppm1 1.486 ppm2 1.490 volume 9.1481 assi ((( attr rmsd < 1.254) and (attr rmsd > 1.154)) and bondedto(attr rmsd < 75.435 and attr rmsd > 74.435)) ( attr rmsd < 4.194 and attr rmsd > 4.094) 6 6 0 peak 11744 ppm1 1.204 ppm2 4.144 volume 0.1631 assi ((( attr rmsd < 1.254) and (attr rmsd > 1.154)) and bondedto(attr rmsd < 27.915 and attr rmsd > 26.915)) ( attr rmsd < 4.194 and attr rmsd > 4.094) 6 6 0 peak 21744 ppm1 1.204 ppm2 4.144 volume 0.1631 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 75.418 and attr rmsd > 74.418)) ( attr rmsd < 1.920 and attr rmsd > 1.820) 6 6 0 peak 11745 ppm1 1.200 ppm2 1.870 volume 0.2552 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 27.898 and attr rmsd > 26.898)) ( attr rmsd < 1.920 and attr rmsd > 1.820) 6 6 0 peak 21745 ppm1 1.200 ppm2 1.870 volume 0.2552 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 75.432 and attr rmsd > 74.432)) ( attr rmsd < 1.540 and attr rmsd > 1.440) 6 6 0 peak 11746 ppm1 1.200 ppm2 1.490 volume 2.6916 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 27.912 and attr rmsd > 26.912)) ( attr rmsd < 1.540 and attr rmsd > 1.440) 6 6 0 peak 21746 ppm1 1.200 ppm2 1.490 volume 2.6916 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 75.432 and attr rmsd > 74.432)) ( attr rmsd < 1.255 and attr rmsd > 1.155) 6 6 0 peak 11747 ppm1 1.202 ppm2 1.205 volume 8.0053 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 27.912 and attr rmsd > 26.912)) ( attr rmsd < 1.255 and attr rmsd > 1.155) 6 6 0 peak 21747 ppm1 1.202 ppm2 1.205 volume 8.0053 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 75.441 and attr rmsd > 74.441)) ( attr rmsd < 0.931 and attr rmsd > 0.831) 6 6 0 peak 11748 ppm1 1.202 ppm2 0.881 volume 1.3523 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 27.921 and attr rmsd > 26.921)) ( attr rmsd < 0.931 and attr rmsd > 0.831) 6 6 0 peak 21748 ppm1 1.202 ppm2 0.881 volume 1.3523 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 75.424 and attr rmsd > 74.424)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 11749 ppm1 0.867 ppm2 1.204 volume 0.9397 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 27.904 and attr rmsd > 26.904)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 21749 ppm1 0.867 ppm2 1.204 volume 0.9397 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 51.744 and attr rmsd > 50.744)) ( attr rmsd < 2.070 and attr rmsd > 1.970) 6 6 0 peak 1750 ppm1 4.835 ppm2 2.020 volume 0.5020 assi ((( attr rmsd < 4.752) and (attr rmsd > 4.652)) and bondedto(attr rmsd < 51.740 and attr rmsd > 50.740)) ( attr rmsd < 2.071 and attr rmsd > 1.971) 6 6 0 peak 1751 ppm1 4.702 ppm2 2.021 volume 0.4667 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 51.813 and attr rmsd > 50.813)) ( attr rmsd < 1.543 and attr rmsd > 1.443) 6 6 0 peak 1752 ppm1 4.690 ppm2 1.493 volume 0.2218 assi ((( attr rmsd < 2.067) and (attr rmsd > 1.967)) and bondedto(attr rmsd < 51.762 and attr rmsd > 50.762)) ( attr rmsd < 1.558 and attr rmsd > 1.458) 6 6 0 peak 1753 ppm1 2.017 ppm2 1.508 volume 0.1936 assi ((( attr rmsd < 2.059) and (attr rmsd > 1.959)) and bondedto(attr rmsd < 51.698 and attr rmsd > 50.698)) ( attr rmsd < 1.298 and attr rmsd > 1.198) 6 6 0 peak 1754 ppm1 2.009 ppm2 1.248 volume 0.1532 assi ((( attr rmsd < 1.546) and (attr rmsd > 1.446)) and bondedto(attr rmsd < 51.661 and attr rmsd > 50.661)) ( attr rmsd < 1.380 and attr rmsd > 1.280) 6 6 0 peak 1755 ppm1 1.496 ppm2 1.330 volume 0.3851 assi ((( attr rmsd < 1.535) and (attr rmsd > 1.435)) and bondedto(attr rmsd < 51.700 and attr rmsd > 50.700)) ( attr rmsd < 1.127 and attr rmsd > 1.027) 6 6 0 peak 1756 ppm1 1.485 ppm2 1.077 volume 0.3486 assi ((( attr rmsd < 0.967) and (attr rmsd > 0.867)) and bondedto(attr rmsd < 51.755 and attr rmsd > 50.755)) ( attr rmsd < 1.555 and attr rmsd > 1.455) 6 6 0 peak 1757 ppm1 0.917 ppm2 1.505 volume 0.2879 assi ((( attr rmsd < 0.963) and (attr rmsd > 0.863)) and bondedto(attr rmsd < 51.714 and attr rmsd > 50.714)) ( attr rmsd < 1.259 and attr rmsd > 1.159) 6 6 0 peak 1758 ppm1 0.913 ppm2 1.209 volume 0.3004 assi ((( attr rmsd < 0.946) and (attr rmsd > 0.846)) and bondedto(attr rmsd < 51.763 and attr rmsd > 50.763)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 1759 ppm1 0.896 ppm2 1.874 volume 0.1634 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 51.669 and attr rmsd > 50.669)) ( attr rmsd < 1.540 and attr rmsd > 1.440) 6 6 0 peak 1760 ppm1 0.819 ppm2 1.490 volume 0.3497 assi ((( attr rmsd < 0.873) and (attr rmsd > 0.773)) and bondedto(attr rmsd < 51.653 and attr rmsd > 50.653)) ( attr rmsd < 1.251 and attr rmsd > 1.151) 6 6 0 peak 1761 ppm1 0.823 ppm2 1.201 volume 0.3674 assi ((( attr rmsd < 4.910) and (attr rmsd > 4.810)) and bondedto(attr rmsd < 75.310 and attr rmsd > 74.310)) ( attr rmsd < 4.951 and attr rmsd > 4.851) 6 6 0 peak 11762 ppm1 4.860 ppm2 4.901 volume 0.1733 assi ((( attr rmsd < 4.910) and (attr rmsd > 4.810)) and bondedto(attr rmsd < 27.790 and attr rmsd > 26.790)) ( attr rmsd < 4.951 and attr rmsd > 4.851) 6 6 0 peak 21762 ppm1 4.860 ppm2 4.901 volume 0.1733 assi ((( attr rmsd < 3.262) and (attr rmsd > 3.162)) and bondedto(attr rmsd < 75.270 and attr rmsd > 74.270)) ( attr rmsd < 1.702 and attr rmsd > 1.602) 6 6 0 peak 11763 ppm1 3.212 ppm2 1.652 volume 0.7614 assi ((( attr rmsd < 3.262) and (attr rmsd > 3.162)) and bondedto(attr rmsd < 27.750 and attr rmsd > 26.750)) ( attr rmsd < 1.702 and attr rmsd > 1.602) 6 6 0 peak 21763 ppm1 3.212 ppm2 1.652 volume 0.7614 assi ((( attr rmsd < 2.061) and (attr rmsd > 1.961)) and bondedto(attr rmsd < 75.324 and attr rmsd > 74.324)) ( attr rmsd < 4.685 and attr rmsd > 4.585) 6 6 0 peak 11764 ppm1 2.011 ppm2 4.635 volume 0.2851 assi ((( attr rmsd < 2.061) and (attr rmsd > 1.961)) and bondedto(attr rmsd < 27.804 and attr rmsd > 26.804)) ( attr rmsd < 4.685 and attr rmsd > 4.585) 6 6 0 peak 21764 ppm1 2.011 ppm2 4.635 volume 0.2851 assi ((( attr rmsd < 2.050) and (attr rmsd > 1.950)) and bondedto(attr rmsd < 75.301 and attr rmsd > 74.301)) ( attr rmsd < 1.661 and attr rmsd > 1.561) 6 6 0 peak 11765 ppm1 2.000 ppm2 1.611 volume 0.4064 assi ((( attr rmsd < 2.050) and (attr rmsd > 1.950)) and bondedto(attr rmsd < 27.781 and attr rmsd > 26.781)) ( attr rmsd < 1.661 and attr rmsd > 1.561) 6 6 0 peak 21765 ppm1 2.000 ppm2 1.611 volume 0.4064 assi ((( attr rmsd < 2.026) and (attr rmsd > 1.926)) and bondedto(attr rmsd < 75.296 and attr rmsd > 74.296)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11766 ppm1 1.976 ppm2 4.775 volume 0.1987 assi ((( attr rmsd < 2.026) and (attr rmsd > 1.926)) and bondedto(attr rmsd < 27.776 and attr rmsd > 26.776)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21766 ppm1 1.976 ppm2 4.775 volume 0.1987 assi ((( attr rmsd < 2.004) and (attr rmsd > 1.904)) and bondedto(attr rmsd < 75.283 and attr rmsd > 74.283)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 11767 ppm1 1.954 ppm2 4.772 volume 0.2004 assi ((( attr rmsd < 2.004) and (attr rmsd > 1.904)) and bondedto(attr rmsd < 27.763 and attr rmsd > 26.763)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 21767 ppm1 1.954 ppm2 4.772 volume 0.2004 assi ((( attr rmsd < 2.003) and (attr rmsd > 1.903)) and bondedto(attr rmsd < 75.312 and attr rmsd > 74.312)) ( attr rmsd < 4.680 and attr rmsd > 4.580) 6 6 0 peak 11768 ppm1 1.953 ppm2 4.630 volume 0.2790 assi ((( attr rmsd < 2.003) and (attr rmsd > 1.903)) and bondedto(attr rmsd < 27.792 and attr rmsd > 26.792)) ( attr rmsd < 4.680 and attr rmsd > 4.580) 6 6 0 peak 21768 ppm1 1.953 ppm2 4.630 volume 0.2790 assi ((( attr rmsd < 2.001) and (attr rmsd > 1.901)) and bondedto(attr rmsd < 75.329 and attr rmsd > 74.329)) ( attr rmsd < 1.658 and attr rmsd > 1.558) 6 6 0 peak 11769 ppm1 1.951 ppm2 1.608 volume 0.4689 assi ((( attr rmsd < 2.001) and (attr rmsd > 1.901)) and bondedto(attr rmsd < 27.809 and attr rmsd > 26.809)) ( attr rmsd < 1.658 and attr rmsd > 1.558) 6 6 0 peak 21769 ppm1 1.951 ppm2 1.608 volume 0.4689 assi ((( attr rmsd < 1.809) and (attr rmsd > 1.709)) and bondedto(attr rmsd < 75.304 and attr rmsd > 74.304)) ( attr rmsd < 4.113 and attr rmsd > 4.013) 6 6 0 peak 11770 ppm1 1.759 ppm2 4.063 volume 0.3446 assi ((( attr rmsd < 1.809) and (attr rmsd > 1.709)) and bondedto(attr rmsd < 27.784 and attr rmsd > 26.784)) ( attr rmsd < 4.113 and attr rmsd > 4.013) 6 6 0 peak 21770 ppm1 1.759 ppm2 4.063 volume 0.3446 assi ((( attr rmsd < 1.807) and (attr rmsd > 1.707)) and bondedto(attr rmsd < 75.322 and attr rmsd > 74.322)) ( attr rmsd < 2.034 and attr rmsd > 1.934) 6 6 0 peak 11771 ppm1 1.757 ppm2 1.984 volume 0.6919 assi ((( attr rmsd < 1.807) and (attr rmsd > 1.707)) and bondedto(attr rmsd < 27.802 and attr rmsd > 26.802)) ( attr rmsd < 2.034 and attr rmsd > 1.934) 6 6 0 peak 21771 ppm1 1.757 ppm2 1.984 volume 0.6919 assi ((( attr rmsd < 1.791) and (attr rmsd > 1.691)) and bondedto(attr rmsd < 75.248 and attr rmsd > 74.248)) ( attr rmsd < 1.647 and attr rmsd > 1.547) 6 6 0 peak 11772 ppm1 1.741 ppm2 1.597 volume 2.3783 assi ((( attr rmsd < 1.791) and (attr rmsd > 1.691)) and bondedto(attr rmsd < 27.728 and attr rmsd > 26.728)) ( attr rmsd < 1.647 and attr rmsd > 1.547) 6 6 0 peak 21772 ppm1 1.741 ppm2 1.597 volume 2.3783 assi ((( attr rmsd < 1.784) and (attr rmsd > 1.684)) and bondedto(attr rmsd < 75.220 and attr rmsd > 74.220)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 11773 ppm1 1.734 ppm2 4.777 volume 0.2773 assi ((( attr rmsd < 1.784) and (attr rmsd > 1.684)) and bondedto(attr rmsd < 27.700 and attr rmsd > 26.700)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 21773 ppm1 1.734 ppm2 4.777 volume 0.2773 assi ((( attr rmsd < 1.634) and (attr rmsd > 1.534)) and bondedto(attr rmsd < 75.327 and attr rmsd > 74.327)) ( attr rmsd < 2.042 and attr rmsd > 1.942) 6 6 0 peak 11774 ppm1 1.584 ppm2 1.992 volume 0.6530 assi ((( attr rmsd < 1.634) and (attr rmsd > 1.534)) and bondedto(attr rmsd < 27.807 and attr rmsd > 26.807)) ( attr rmsd < 2.042 and attr rmsd > 1.942) 6 6 0 peak 21774 ppm1 1.584 ppm2 1.992 volume 0.6530 assi ((( attr rmsd < 1.624) and (attr rmsd > 1.524)) and bondedto(attr rmsd < 75.323 and attr rmsd > 74.323)) ( attr rmsd < 4.096 and attr rmsd > 3.996) 6 6 0 peak 11775 ppm1 1.574 ppm2 4.046 volume 0.2273 assi ((( attr rmsd < 1.624) and (attr rmsd > 1.524)) and bondedto(attr rmsd < 27.803 and attr rmsd > 26.803)) ( attr rmsd < 4.096 and attr rmsd > 3.996) 6 6 0 peak 21775 ppm1 1.574 ppm2 4.046 volume 0.2273 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 75.397 and attr rmsd > 74.397)) ( attr rmsd < 1.544 and attr rmsd > 1.444) 6 6 0 peak 11776 ppm1 0.865 ppm2 1.494 volume 0.9903 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 27.877 and attr rmsd > 26.877)) ( attr rmsd < 1.544 and attr rmsd > 1.444) 6 6 0 peak 21776 ppm1 0.865 ppm2 1.494 volume 0.9903 assi ((( attr rmsd < 3.976) and (attr rmsd > 3.876)) and bondedto(attr rmsd < 51.454 and attr rmsd > 50.454)) ( attr rmsd < 2.538 and attr rmsd > 2.438) 6 6 0 peak 1777 ppm1 3.926 ppm2 2.488 volume 0.2855 assi ((( attr rmsd < 3.307) and (attr rmsd > 3.207)) and bondedto(attr rmsd < 51.488 and attr rmsd > 50.488)) ( attr rmsd < 1.684 and attr rmsd > 1.584) 6 6 0 peak 1778 ppm1 3.257 ppm2 1.634 volume 0.4188 assi ((( attr rmsd < 3.233) and (attr rmsd > 3.133)) and bondedto(attr rmsd < 51.586 and attr rmsd > 50.586)) ( attr rmsd < 3.233 and attr rmsd > 3.133) 6 6 0 peak 1779 ppm1 3.183 ppm2 3.183 volume 0.1847 assi ((( attr rmsd < 3.217) and (attr rmsd > 3.117)) and bondedto(attr rmsd < 51.481 and attr rmsd > 50.481)) ( attr rmsd < 1.694 and attr rmsd > 1.594) 6 6 0 peak 1780 ppm1 3.167 ppm2 1.644 volume 0.4374 assi ((( attr rmsd < 2.942) and (attr rmsd > 2.842)) and bondedto(attr rmsd < 51.549 and attr rmsd > 50.549)) ( attr rmsd < 2.944 and attr rmsd > 2.844) 6 6 0 peak 1781 ppm1 2.892 ppm2 2.894 volume 0.3897 assi ((( attr rmsd < 1.773) and (attr rmsd > 1.673)) and bondedto(attr rmsd < 51.526 and attr rmsd > 50.526)) ( attr rmsd < 1.521 and attr rmsd > 1.421) 6 6 0 peak 1782 ppm1 1.723 ppm2 1.471 volume 0.3894 assi ((( attr rmsd < 1.552) and (attr rmsd > 1.452)) and bondedto(attr rmsd < 51.516 and attr rmsd > 50.516)) ( attr rmsd < 1.433 and attr rmsd > 1.333) 6 6 0 peak 1783 ppm1 1.502 ppm2 1.383 volume 0.4826 assi ((( attr rmsd < 1.068) and (attr rmsd > 0.968)) and bondedto(attr rmsd < 51.470 and attr rmsd > 50.470)) ( attr rmsd < 1.683 and attr rmsd > 1.583) 6 6 0 peak 1784 ppm1 1.018 ppm2 1.633 volume 0.1651 assi ((( attr rmsd < 0.998) and (attr rmsd > 0.898)) and bondedto(attr rmsd < 51.611 and attr rmsd > 50.611)) ( attr rmsd < 1.258 and attr rmsd > 1.158) 6 6 0 peak 1785 ppm1 0.948 ppm2 1.208 volume 0.2406 assi ((( attr rmsd < 0.861) and (attr rmsd > 0.761)) and bondedto(attr rmsd < 51.492 and attr rmsd > 50.492)) ( attr rmsd < 1.795 and attr rmsd > 1.695) 6 6 0 peak 1786 ppm1 0.811 ppm2 1.745 volume 0.2477 assi ((( attr rmsd < 4.884) and (attr rmsd > 4.784)) and bondedto(attr rmsd < 75.166 and attr rmsd > 74.166)) ( attr rmsd < 4.691 and attr rmsd > 4.591) 6 6 0 peak 11787 ppm1 4.834 ppm2 4.641 volume 0.3829 assi ((( attr rmsd < 4.884) and (attr rmsd > 4.784)) and bondedto(attr rmsd < 27.646 and attr rmsd > 26.646)) ( attr rmsd < 4.691 and attr rmsd > 4.591) 6 6 0 peak 21787 ppm1 4.834 ppm2 4.641 volume 0.3829 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 75.160 and attr rmsd > 74.160)) ( attr rmsd < 4.680 and attr rmsd > 4.580) 6 6 0 peak 11788 ppm1 4.698 ppm2 4.630 volume 0.8717 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 27.640 and attr rmsd > 26.640)) ( attr rmsd < 4.680 and attr rmsd > 4.580) 6 6 0 peak 21788 ppm1 4.698 ppm2 4.630 volume 0.8717 assi ((( attr rmsd < 4.459) and (attr rmsd > 4.359)) and bondedto(attr rmsd < 75.159 and attr rmsd > 74.159)) ( attr rmsd < 4.471 and attr rmsd > 4.371) 6 6 0 peak 11789 ppm1 4.409 ppm2 4.421 volume 0.1890 assi ((( attr rmsd < 4.459) and (attr rmsd > 4.359)) and bondedto(attr rmsd < 27.639 and attr rmsd > 26.639)) ( attr rmsd < 4.471 and attr rmsd > 4.371) 6 6 0 peak 21789 ppm1 4.409 ppm2 4.421 volume 0.1890 assi ((( attr rmsd < 3.852) and (attr rmsd > 3.752)) and bondedto(attr rmsd < 75.144 and attr rmsd > 74.144)) ( attr rmsd < 3.854 and attr rmsd > 3.754) 6 6 0 peak 11790 ppm1 3.802 ppm2 3.804 volume 7.3761 assi ((( attr rmsd < 3.852) and (attr rmsd > 3.752)) and bondedto(attr rmsd < 27.624 and attr rmsd > 26.624)) ( attr rmsd < 3.854 and attr rmsd > 3.754) 6 6 0 peak 21790 ppm1 3.802 ppm2 3.804 volume 7.3761 assi ((( attr rmsd < 3.854) and (attr rmsd > 3.754)) and bondedto(attr rmsd < 75.104 and attr rmsd > 74.104)) ( attr rmsd < 3.710 and attr rmsd > 3.610) 6 6 0 peak 11791 ppm1 3.804 ppm2 3.660 volume 0.6426 assi ((( attr rmsd < 3.854) and (attr rmsd > 3.754)) and bondedto(attr rmsd < 27.584 and attr rmsd > 26.584)) ( attr rmsd < 3.710 and attr rmsd > 3.610) 6 6 0 peak 21791 ppm1 3.804 ppm2 3.660 volume 0.6426 assi ((( attr rmsd < 3.720) and (attr rmsd > 3.620)) and bondedto(attr rmsd < 75.167 and attr rmsd > 74.167)) ( attr rmsd < 3.845 and attr rmsd > 3.745) 6 6 0 peak 11792 ppm1 3.670 ppm2 3.795 volume 0.1745 assi ((( attr rmsd < 3.720) and (attr rmsd > 3.620)) and bondedto(attr rmsd < 27.647 and attr rmsd > 26.647)) ( attr rmsd < 3.845 and attr rmsd > 3.745) 6 6 0 peak 21792 ppm1 3.670 ppm2 3.795 volume 0.1745 assi ((( attr rmsd < 3.640) and (attr rmsd > 3.540)) and bondedto(attr rmsd < 75.145 and attr rmsd > 74.145)) ( attr rmsd < 3.861 and attr rmsd > 3.761) 6 6 0 peak 11793 ppm1 3.590 ppm2 3.811 volume 0.4769 assi ((( attr rmsd < 3.640) and (attr rmsd > 3.540)) and bondedto(attr rmsd < 27.625 and attr rmsd > 26.625)) ( attr rmsd < 3.861 and attr rmsd > 3.761) 6 6 0 peak 21793 ppm1 3.590 ppm2 3.811 volume 0.4769 assi ((( attr rmsd < 1.791) and (attr rmsd > 1.691)) and bondedto(attr rmsd < 75.128 and attr rmsd > 74.128)) ( attr rmsd < 4.678 and attr rmsd > 4.578) 6 6 0 peak 11794 ppm1 1.741 ppm2 4.628 volume 0.2040 assi ((( attr rmsd < 1.791) and (attr rmsd > 1.691)) and bondedto(attr rmsd < 27.608 and attr rmsd > 26.608)) ( attr rmsd < 4.678 and attr rmsd > 4.578) 6 6 0 peak 21794 ppm1 1.741 ppm2 4.628 volume 0.2040 assi ((( attr rmsd < 1.790) and (attr rmsd > 1.690)) and bondedto(attr rmsd < 75.155 and attr rmsd > 74.155)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 11795 ppm1 1.740 ppm2 1.750 volume 6.2209 assi ((( attr rmsd < 1.790) and (attr rmsd > 1.690)) and bondedto(attr rmsd < 27.635 and attr rmsd > 26.635)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 21795 ppm1 1.740 ppm2 1.750 volume 6.2209 assi ((( attr rmsd < 1.800) and (attr rmsd > 1.700)) and bondedto(attr rmsd < 75.025 and attr rmsd > 74.025)) ( attr rmsd < 0.847 and attr rmsd > 0.747) 6 6 0 peak 11796 ppm1 1.750 ppm2 0.797 volume 0.7328 assi ((( attr rmsd < 1.800) and (attr rmsd > 1.700)) and bondedto(attr rmsd < 27.505 and attr rmsd > 26.505)) ( attr rmsd < 0.847 and attr rmsd > 0.747) 6 6 0 peak 21796 ppm1 1.750 ppm2 0.797 volume 0.7328 assi ((( attr rmsd < 1.794) and (attr rmsd > 1.694)) and bondedto(attr rmsd < 75.106 and attr rmsd > 74.106)) ( attr rmsd < 0.709 and attr rmsd > 0.609) 6 6 0 peak 11797 ppm1 1.744 ppm2 0.659 volume 0.3086 assi ((( attr rmsd < 1.794) and (attr rmsd > 1.694)) and bondedto(attr rmsd < 27.586 and attr rmsd > 26.586)) ( attr rmsd < 0.709 and attr rmsd > 0.609) 6 6 0 peak 21797 ppm1 1.744 ppm2 0.659 volume 0.3086 assi ((( attr rmsd < 1.784) and (attr rmsd > 1.684)) and bondedto(attr rmsd < 75.135 and attr rmsd > 74.135)) ( attr rmsd < 3.886 and attr rmsd > 3.786) 6 6 0 peak 11798 ppm1 1.734 ppm2 3.836 volume 0.2275 assi ((( attr rmsd < 1.784) and (attr rmsd > 1.684)) and bondedto(attr rmsd < 27.615 and attr rmsd > 26.615)) ( attr rmsd < 3.886 and attr rmsd > 3.786) 6 6 0 peak 21798 ppm1 1.734 ppm2 3.836 volume 0.2275 assi ((( attr rmsd < 1.773) and (attr rmsd > 1.673)) and bondedto(attr rmsd < 75.093 and attr rmsd > 74.093)) ( attr rmsd < 3.715 and attr rmsd > 3.615) 6 6 0 peak 11799 ppm1 1.723 ppm2 3.665 volume 0.2196 assi ((( attr rmsd < 1.773) and (attr rmsd > 1.673)) and bondedto(attr rmsd < 27.573 and attr rmsd > 26.573)) ( attr rmsd < 3.715 and attr rmsd > 3.615) 6 6 0 peak 21799 ppm1 1.723 ppm2 3.665 volume 0.2196 assi ((( attr rmsd < 1.768) and (attr rmsd > 1.668)) and bondedto(attr rmsd < 75.125 and attr rmsd > 74.125)) ( attr rmsd < 4.531 and attr rmsd > 4.431) 6 6 0 peak 11800 ppm1 1.718 ppm2 4.481 volume 0.1785 assi ((( attr rmsd < 1.768) and (attr rmsd > 1.668)) and bondedto(attr rmsd < 27.605 and attr rmsd > 26.605)) ( attr rmsd < 4.531 and attr rmsd > 4.431) 6 6 0 peak 21800 ppm1 1.718 ppm2 4.481 volume 0.1785 assi ((( attr rmsd < 1.772) and (attr rmsd > 1.672)) and bondedto(attr rmsd < 75.165 and attr rmsd > 74.165)) ( attr rmsd < 3.336 and attr rmsd > 3.236) 6 6 0 peak 11801 ppm1 1.722 ppm2 3.286 volume 0.7513 assi ((( attr rmsd < 1.772) and (attr rmsd > 1.672)) and bondedto(attr rmsd < 27.645 and attr rmsd > 26.645)) ( attr rmsd < 3.336 and attr rmsd > 3.236) 6 6 0 peak 21801 ppm1 1.722 ppm2 3.286 volume 0.7513 assi ((( attr rmsd < 1.688) and (attr rmsd > 1.588)) and bondedto(attr rmsd < 75.066 and attr rmsd > 74.066)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 11802 ppm1 1.638 ppm2 0.858 volume 0.3103 assi ((( attr rmsd < 1.688) and (attr rmsd > 1.588)) and bondedto(attr rmsd < 27.546 and attr rmsd > 26.546)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 21802 ppm1 1.638 ppm2 0.858 volume 0.3103 assi ((( attr rmsd < 1.664) and (attr rmsd > 1.564)) and bondedto(attr rmsd < 75.170 and attr rmsd > 74.170)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11803 ppm1 1.614 ppm2 4.775 volume 0.4842 assi ((( attr rmsd < 1.664) and (attr rmsd > 1.564)) and bondedto(attr rmsd < 27.650 and attr rmsd > 26.650)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21803 ppm1 1.614 ppm2 4.775 volume 0.4842 assi ((( attr rmsd < 1.676) and (attr rmsd > 1.576)) and bondedto(attr rmsd < 75.086 and attr rmsd > 74.086)) ( attr rmsd < 4.411 and attr rmsd > 4.311) 6 6 0 peak 11804 ppm1 1.626 ppm2 4.361 volume 0.2916 assi ((( attr rmsd < 1.676) and (attr rmsd > 1.576)) and bondedto(attr rmsd < 27.566 and attr rmsd > 26.566)) ( attr rmsd < 4.411 and attr rmsd > 4.311) 6 6 0 peak 21804 ppm1 1.626 ppm2 4.361 volume 0.2916 assi ((( attr rmsd < 1.676) and (attr rmsd > 1.576)) and bondedto(attr rmsd < 75.164 and attr rmsd > 74.164)) ( attr rmsd < 1.684 and attr rmsd > 1.584) 6 6 0 peak 11805 ppm1 1.626 ppm2 1.634 volume 23.5557 assi ((( attr rmsd < 1.676) and (attr rmsd > 1.576)) and bondedto(attr rmsd < 27.644 and attr rmsd > 26.644)) ( attr rmsd < 1.684 and attr rmsd > 1.584) 6 6 0 peak 21805 ppm1 1.626 ppm2 1.634 volume 23.5557 assi ((( attr rmsd < 1.630) and (attr rmsd > 1.530)) and bondedto(attr rmsd < 75.075 and attr rmsd > 74.075)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 11806 ppm1 1.580 ppm2 3.664 volume 0.1881 assi ((( attr rmsd < 1.630) and (attr rmsd > 1.530)) and bondedto(attr rmsd < 27.555 and attr rmsd > 26.555)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 21806 ppm1 1.580 ppm2 3.664 volume 0.1881 assi ((( attr rmsd < 1.629) and (attr rmsd > 1.529)) and bondedto(attr rmsd < 75.197 and attr rmsd > 74.197)) ( attr rmsd < 3.337 and attr rmsd > 3.237) 6 6 0 peak 11807 ppm1 1.579 ppm2 3.287 volume 0.8053 assi ((( attr rmsd < 1.629) and (attr rmsd > 1.529)) and bondedto(attr rmsd < 27.677 and attr rmsd > 26.677)) ( attr rmsd < 3.337 and attr rmsd > 3.237) 6 6 0 peak 21807 ppm1 1.579 ppm2 3.287 volume 0.8053 assi ((( attr rmsd < 1.041) and (attr rmsd > 0.941)) and bondedto(attr rmsd < 75.166 and attr rmsd > 74.166)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 11808 ppm1 0.991 ppm2 4.773 volume 0.1725 assi ((( attr rmsd < 1.041) and (attr rmsd > 0.941)) and bondedto(attr rmsd < 27.646 and attr rmsd > 26.646)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 21808 ppm1 0.991 ppm2 4.773 volume 0.1725 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 75.028 and attr rmsd > 74.028)) ( attr rmsd < 0.741 and attr rmsd > 0.641) 6 6 0 peak 11809 ppm1 0.682 ppm2 0.691 volume 0.3607 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 27.508 and attr rmsd > 26.508)) ( attr rmsd < 0.741 and attr rmsd > 0.641) 6 6 0 peak 21809 ppm1 0.682 ppm2 0.691 volume 0.3607 assi ((( attr rmsd < 0.493) and (attr rmsd > 0.393)) and bondedto(attr rmsd < 75.179 and attr rmsd > 74.179)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11810 ppm1 0.443 ppm2 4.775 volume 0.1598 assi ((( attr rmsd < 0.493) and (attr rmsd > 0.393)) and bondedto(attr rmsd < 27.659 and attr rmsd > 26.659)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21810 ppm1 0.443 ppm2 4.775 volume 0.1598 assi ((( attr rmsd < 4.972) and (attr rmsd > 4.872)) and bondedto(attr rmsd < 51.373 and attr rmsd > 50.373)) ( attr rmsd < 3.977 and attr rmsd > 3.877) 6 6 0 peak 1811 ppm1 4.922 ppm2 3.927 volume 0.1741 assi ((( attr rmsd < 4.961) and (attr rmsd > 4.861)) and bondedto(attr rmsd < 51.393 and attr rmsd > 50.393)) ( attr rmsd < 4.946 and attr rmsd > 4.846) 6 6 0 peak 1812 ppm1 4.911 ppm2 4.896 volume 0.2125 assi ((( attr rmsd < 4.963) and (attr rmsd > 4.863)) and bondedto(attr rmsd < 51.376 and attr rmsd > 50.376)) ( attr rmsd < 4.690 and attr rmsd > 4.590) 6 6 0 peak 1813 ppm1 4.913 ppm2 4.640 volume 0.3780 assi ((( attr rmsd < 4.921) and (attr rmsd > 4.821)) and bondedto(attr rmsd < 51.401 and attr rmsd > 50.401)) ( attr rmsd < 4.684 and attr rmsd > 4.584) 6 6 0 peak 1814 ppm1 4.871 ppm2 4.634 volume 0.3566 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 51.380 and attr rmsd > 50.380)) ( attr rmsd < 4.782 and attr rmsd > 4.682) 6 6 0 peak 1815 ppm1 4.849 ppm2 4.732 volume 0.4275 assi ((( attr rmsd < 4.893) and (attr rmsd > 4.793)) and bondedto(attr rmsd < 51.402 and attr rmsd > 50.402)) ( attr rmsd < 3.971 and attr rmsd > 3.871) 6 6 0 peak 1816 ppm1 4.843 ppm2 3.921 volume 0.6663 assi ((( attr rmsd < 4.879) and (attr rmsd > 4.779)) and bondedto(attr rmsd < 51.431 and attr rmsd > 50.431)) ( attr rmsd < 1.686 and attr rmsd > 1.586) 6 6 0 peak 1817 ppm1 4.829 ppm2 1.636 volume 0.6105 assi ((( attr rmsd < 4.810) and (attr rmsd > 4.710)) and bondedto(attr rmsd < 51.395 and attr rmsd > 50.395)) ( attr rmsd < 3.967 and attr rmsd > 3.867) 6 6 0 peak 1818 ppm1 4.760 ppm2 3.917 volume 0.4234 assi ((( attr rmsd < 4.754) and (attr rmsd > 4.654)) and bondedto(attr rmsd < 51.292 and attr rmsd > 50.292)) ( attr rmsd < 4.509 and attr rmsd > 4.409) 6 6 0 peak 1819 ppm1 4.704 ppm2 4.459 volume 0.1981 assi ((( attr rmsd < 4.759) and (attr rmsd > 4.659)) and bondedto(attr rmsd < 51.393 and attr rmsd > 50.393)) ( attr rmsd < 3.968 and attr rmsd > 3.868) 6 6 0 peak 1820 ppm1 4.709 ppm2 3.918 volume 0.7290 assi ((( attr rmsd < 4.743) and (attr rmsd > 4.643)) and bondedto(attr rmsd < 51.419 and attr rmsd > 50.419)) ( attr rmsd < 1.689 and attr rmsd > 1.589) 6 6 0 peak 1821 ppm1 4.693 ppm2 1.639 volume 0.8086 assi ((( attr rmsd < 4.687) and (attr rmsd > 4.587)) and bondedto(attr rmsd < 51.420 and attr rmsd > 50.420)) ( attr rmsd < 4.687 and attr rmsd > 4.587) 6 6 0 peak 1822 ppm1 4.637 ppm2 4.637 volume 2.4024 assi ((( attr rmsd < 4.683) and (attr rmsd > 4.583)) and bondedto(attr rmsd < 51.431 and attr rmsd > 50.431)) ( attr rmsd < 1.230 and attr rmsd > 1.130) 6 6 0 peak 1823 ppm1 4.633 ppm2 1.180 volume 0.7644 assi ((( attr rmsd < 3.974) and (attr rmsd > 3.874)) and bondedto(attr rmsd < 51.448 and attr rmsd > 50.448)) ( attr rmsd < 5.061 and attr rmsd > 4.961) 6 6 0 peak 1824 ppm1 3.924 ppm2 5.011 volume 1.6154 assi ((( attr rmsd < 3.976) and (attr rmsd > 3.876)) and bondedto(attr rmsd < 51.451 and attr rmsd > 50.451)) ( attr rmsd < 4.387 and attr rmsd > 4.287) 6 6 0 peak 1825 ppm1 3.926 ppm2 4.337 volume 0.8127 assi ((( attr rmsd < 3.978) and (attr rmsd > 3.878)) and bondedto(attr rmsd < 51.411 and attr rmsd > 50.411)) ( attr rmsd < 2.186 and attr rmsd > 2.086) 6 6 0 peak 1826 ppm1 3.928 ppm2 2.136 volume 1.0245 assi ((( attr rmsd < 3.967) and (attr rmsd > 3.867)) and bondedto(attr rmsd < 51.410 and attr rmsd > 50.410)) ( attr rmsd < 3.967 and attr rmsd > 3.867) 6 6 0 peak 1827 ppm1 3.917 ppm2 3.917 volume 7.1845 assi ((( attr rmsd < 3.964) and (attr rmsd > 3.864)) and bondedto(attr rmsd < 51.398 and attr rmsd > 50.398)) ( attr rmsd < 2.078 and attr rmsd > 1.978) 6 6 0 peak 1828 ppm1 3.914 ppm2 2.028 volume 1.2638 assi ((( attr rmsd < 3.932) and (attr rmsd > 3.832)) and bondedto(attr rmsd < 51.308 and attr rmsd > 50.308)) ( attr rmsd < 4.503 and attr rmsd > 4.403) 6 6 0 peak 1829 ppm1 3.882 ppm2 4.453 volume 1.2721 assi ((( attr rmsd < 3.932) and (attr rmsd > 3.832)) and bondedto(attr rmsd < 51.293 and attr rmsd > 50.293)) ( attr rmsd < 3.794 and attr rmsd > 3.694) 6 6 0 peak 1830 ppm1 3.882 ppm2 3.744 volume 1.6159 assi ((( attr rmsd < 3.933) and (attr rmsd > 3.833)) and bondedto(attr rmsd < 51.371 and attr rmsd > 50.371)) ( attr rmsd < 1.673 and attr rmsd > 1.573) 6 6 0 peak 1831 ppm1 3.883 ppm2 1.623 volume 0.2170 assi ((( attr rmsd < 3.930) and (attr rmsd > 3.830)) and bondedto(attr rmsd < 51.298 and attr rmsd > 50.298)) ( attr rmsd < 1.057 and attr rmsd > 0.957) 6 6 0 peak 1832 ppm1 3.880 ppm2 1.007 volume 0.2685 assi ((( attr rmsd < 3.886) and (attr rmsd > 3.786)) and bondedto(attr rmsd < 51.323 and attr rmsd > 50.323)) ( attr rmsd < 3.792 and attr rmsd > 3.692) 6 6 0 peak 1833 ppm1 3.836 ppm2 3.742 volume 1.0797 assi ((( attr rmsd < 3.853) and (attr rmsd > 3.753)) and bondedto(attr rmsd < 51.381 and attr rmsd > 50.381)) ( attr rmsd < 3.563 and attr rmsd > 3.463) 6 6 0 peak 1834 ppm1 3.803 ppm2 3.513 volume 0.3495 assi ((( attr rmsd < 3.793) and (attr rmsd > 3.693)) and bondedto(attr rmsd < 51.300 and attr rmsd > 50.300)) ( attr rmsd < 4.503 and attr rmsd > 4.403) 6 6 0 peak 1835 ppm1 3.743 ppm2 4.453 volume 1.0681 assi ((( attr rmsd < 3.790) and (attr rmsd > 3.690)) and bondedto(attr rmsd < 51.294 and attr rmsd > 50.294)) ( attr rmsd < 3.931 and attr rmsd > 3.831) 6 6 0 peak 1836 ppm1 3.740 ppm2 3.881 volume 1.7756 assi ((( attr rmsd < 3.793) and (attr rmsd > 3.693)) and bondedto(attr rmsd < 51.278 and attr rmsd > 50.278)) ( attr rmsd < 2.048 and attr rmsd > 1.948) 6 6 0 peak 1837 ppm1 3.743 ppm2 1.998 volume 0.6401 assi ((( attr rmsd < 3.792) and (attr rmsd > 3.692)) and bondedto(attr rmsd < 51.378 and attr rmsd > 50.378)) ( attr rmsd < 1.678 and attr rmsd > 1.578) 6 6 0 peak 1838 ppm1 3.742 ppm2 1.628 volume 0.2663 assi ((( attr rmsd < 3.791) and (attr rmsd > 3.691)) and bondedto(attr rmsd < 51.288 and attr rmsd > 50.288)) ( attr rmsd < 1.063 and attr rmsd > 0.963) 6 6 0 peak 1839 ppm1 3.741 ppm2 1.013 volume 0.3466 assi ((( attr rmsd < 1.665) and (attr rmsd > 1.565)) and bondedto(attr rmsd < 51.370 and attr rmsd > 50.370)) ( attr rmsd < 0.995 and attr rmsd > 0.895) 6 6 0 peak 1840 ppm1 1.615 ppm2 0.945 volume 1.1881 assi ((( attr rmsd < 1.007) and (attr rmsd > 0.907)) and bondedto(attr rmsd < 51.410 and attr rmsd > 50.410)) ( attr rmsd < 1.674 and attr rmsd > 1.574) 6 6 0 peak 1841 ppm1 0.957 ppm2 1.624 volume 0.5694 assi ((( attr rmsd < 0.968) and (attr rmsd > 0.868)) and bondedto(attr rmsd < 51.397 and attr rmsd > 50.397)) ( attr rmsd < 1.681 and attr rmsd > 1.581) 6 6 0 peak 1842 ppm1 0.918 ppm2 1.631 volume 1.0289 assi ((( attr rmsd < 0.879) and (attr rmsd > 0.779)) and bondedto(attr rmsd < 51.379 and attr rmsd > 50.379)) ( attr rmsd < 1.682 and attr rmsd > 1.582) 6 6 0 peak 1843 ppm1 0.829 ppm2 1.632 volume 0.4379 assi ((( attr rmsd < 0.789) and (attr rmsd > 0.689)) and bondedto(attr rmsd < 51.374 and attr rmsd > 50.374)) ( attr rmsd < 1.803 and attr rmsd > 1.703) 6 6 0 peak 1844 ppm1 0.739 ppm2 1.753 volume 0.1929 assi ((( attr rmsd < 3.661) and (attr rmsd > 3.561)) and bondedto(attr rmsd < 74.974 and attr rmsd > 73.974)) ( attr rmsd < 3.676 and attr rmsd > 3.576) 6 6 0 peak 11845 ppm1 3.611 ppm2 3.626 volume 0.4160 assi ((( attr rmsd < 3.661) and (attr rmsd > 3.561)) and bondedto(attr rmsd < 27.454 and attr rmsd > 26.454)) ( attr rmsd < 3.676 and attr rmsd > 3.576) 6 6 0 peak 21845 ppm1 3.611 ppm2 3.626 volume 0.4160 assi ((( attr rmsd < 3.254) and (attr rmsd > 3.154)) and bondedto(attr rmsd < 74.950 and attr rmsd > 73.950)) ( attr rmsd < 3.256 and attr rmsd > 3.156) 6 6 0 peak 11846 ppm1 3.204 ppm2 3.206 volume 0.1713 assi ((( attr rmsd < 3.254) and (attr rmsd > 3.154)) and bondedto(attr rmsd < 27.430 and attr rmsd > 26.430)) ( attr rmsd < 3.256 and attr rmsd > 3.156) 6 6 0 peak 21846 ppm1 3.204 ppm2 3.206 volume 0.1713 assi ((( attr rmsd < 1.541) and (attr rmsd > 1.441)) and bondedto(attr rmsd < 74.903 and attr rmsd > 73.903)) ( attr rmsd < 1.763 and attr rmsd > 1.663) 6 6 0 peak 11847 ppm1 1.491 ppm2 1.713 volume 0.3955 assi ((( attr rmsd < 1.541) and (attr rmsd > 1.441)) and bondedto(attr rmsd < 27.383 and attr rmsd > 26.383)) ( attr rmsd < 1.763 and attr rmsd > 1.663) 6 6 0 peak 21847 ppm1 1.491 ppm2 1.713 volume 0.3955 assi ((( attr rmsd < 1.536) and (attr rmsd > 1.436)) and bondedto(attr rmsd < 74.858 and attr rmsd > 73.858)) ( attr rmsd < 4.622 and attr rmsd > 4.522) 6 6 0 peak 11848 ppm1 1.486 ppm2 4.572 volume 0.1781 assi ((( attr rmsd < 1.536) and (attr rmsd > 1.436)) and bondedto(attr rmsd < 27.338 and attr rmsd > 26.338)) ( attr rmsd < 4.622 and attr rmsd > 4.522) 6 6 0 peak 21848 ppm1 1.486 ppm2 4.572 volume 0.1781 assi ((( attr rmsd < 4.890) and (attr rmsd > 4.790)) and bondedto(attr rmsd < 51.220 and attr rmsd > 50.220)) ( attr rmsd < 3.790 and attr rmsd > 3.690) 6 6 0 peak 1849 ppm1 4.840 ppm2 3.740 volume 0.2131 assi ((( attr rmsd < 4.802) and (attr rmsd > 4.702)) and bondedto(attr rmsd < 51.244 and attr rmsd > 50.244)) ( attr rmsd < 3.798 and attr rmsd > 3.698) 6 6 0 peak 1850 ppm1 4.752 ppm2 3.748 volume 0.1455 assi ((( attr rmsd < 4.754) and (attr rmsd > 4.654)) and bondedto(attr rmsd < 51.201 and attr rmsd > 50.201)) ( attr rmsd < 3.789 and attr rmsd > 3.689) 6 6 0 peak 1851 ppm1 4.704 ppm2 3.739 volume 0.2484 assi ((( attr rmsd < 4.026) and (attr rmsd > 3.926)) and bondedto(attr rmsd < 51.181 and attr rmsd > 50.181)) ( attr rmsd < 4.775 and attr rmsd > 4.675) 6 6 0 peak 1852 ppm1 3.976 ppm2 4.725 volume 1.0814 assi ((( attr rmsd < 4.026) and (attr rmsd > 3.926)) and bondedto(attr rmsd < 51.214 and attr rmsd > 50.214)) ( attr rmsd < 4.221 and attr rmsd > 4.121) 6 6 0 peak 1853 ppm1 3.976 ppm2 4.171 volume 0.2027 assi ((( attr rmsd < 4.027) and (attr rmsd > 3.927)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 3.874 and attr rmsd > 3.774) 6 6 0 peak 1854 ppm1 3.977 ppm2 3.824 volume 1.5511 assi ((( attr rmsd < 4.023) and (attr rmsd > 3.923)) and bondedto(attr rmsd < 51.167 and attr rmsd > 50.167)) ( attr rmsd < 2.496 and attr rmsd > 2.396) 6 6 0 peak 1855 ppm1 3.973 ppm2 2.446 volume 0.1800 assi ((( attr rmsd < 3.877) and (attr rmsd > 3.777)) and bondedto(attr rmsd < 51.168 and attr rmsd > 50.168)) ( attr rmsd < 4.225 and attr rmsd > 4.125) 6 6 0 peak 1856 ppm1 3.827 ppm2 4.175 volume 0.1673 assi ((( attr rmsd < 3.868) and (attr rmsd > 3.768)) and bondedto(attr rmsd < 51.183 and attr rmsd > 50.183)) ( attr rmsd < 4.775 and attr rmsd > 4.675) 6 6 0 peak 1857 ppm1 3.818 ppm2 4.725 volume 0.9852 assi ((( attr rmsd < 3.869) and (attr rmsd > 3.769)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 4.029 and attr rmsd > 3.929) 6 6 0 peak 1858 ppm1 3.819 ppm2 3.979 volume 1.6335 assi ((( attr rmsd < 3.864) and (attr rmsd > 3.764)) and bondedto(attr rmsd < 51.193 and attr rmsd > 50.193)) ( attr rmsd < 2.486 and attr rmsd > 2.386) 6 6 0 peak 1859 ppm1 3.814 ppm2 2.436 volume 0.1924 assi ((( attr rmsd < 3.865) and (attr rmsd > 3.765)) and bondedto(attr rmsd < 51.179 and attr rmsd > 50.179)) ( attr rmsd < 2.221 and attr rmsd > 2.121) 6 6 0 peak 1860 ppm1 3.815 ppm2 2.171 volume 0.5877 assi ((( attr rmsd < 3.792) and (attr rmsd > 3.692)) and bondedto(attr rmsd < 51.237 and attr rmsd > 50.237)) ( attr rmsd < 3.798 and attr rmsd > 3.698) 6 6 0 peak 1861 ppm1 3.742 ppm2 3.748 volume 2.1922 assi ((( attr rmsd < 2.218) and (attr rmsd > 2.118)) and bondedto(attr rmsd < 51.091 and attr rmsd > 50.091)) ( attr rmsd < 2.207 and attr rmsd > 2.107) 6 6 0 peak 1862 ppm1 2.168 ppm2 2.157 volume 0.4438 assi ((( attr rmsd < 2.179) and (attr rmsd > 2.079)) and bondedto(attr rmsd < 51.133 and attr rmsd > 50.133)) ( attr rmsd < 2.196 and attr rmsd > 2.096) 6 6 0 peak 1863 ppm1 2.129 ppm2 2.146 volume 0.3885 assi ((( attr rmsd < 2.102) and (attr rmsd > 2.002)) and bondedto(attr rmsd < 51.123 and attr rmsd > 50.123)) ( attr rmsd < 2.206 and attr rmsd > 2.106) 6 6 0 peak 1864 ppm1 2.052 ppm2 2.156 volume 0.2839 assi ((( attr rmsd < 4.400) and (attr rmsd > 4.300)) and bondedto(attr rmsd < 74.795 and attr rmsd > 73.795)) ( attr rmsd < 4.398 and attr rmsd > 4.298) 6 6 0 peak 11865 ppm1 4.350 ppm2 4.348 volume 0.1545 assi ((( attr rmsd < 4.400) and (attr rmsd > 4.300)) and bondedto(attr rmsd < 27.275 and attr rmsd > 26.275)) ( attr rmsd < 4.398 and attr rmsd > 4.298) 6 6 0 peak 21865 ppm1 4.350 ppm2 4.348 volume 0.1545 assi ((( attr rmsd < 3.075) and (attr rmsd > 2.975)) and bondedto(attr rmsd < 74.735 and attr rmsd > 73.735)) ( attr rmsd < 3.100 and attr rmsd > 3.000) 6 6 0 peak 11866 ppm1 3.025 ppm2 3.050 volume 0.1951 assi ((( attr rmsd < 3.075) and (attr rmsd > 2.975)) and bondedto(attr rmsd < 27.215 and attr rmsd > 26.215)) ( attr rmsd < 3.100 and attr rmsd > 3.000) 6 6 0 peak 21866 ppm1 3.025 ppm2 3.050 volume 0.1951 assi ((( attr rmsd < 1.840) and (attr rmsd > 1.740)) and bondedto(attr rmsd < 74.666 and attr rmsd > 73.666)) ( attr rmsd < 4.281 and attr rmsd > 4.181) 6 6 0 peak 11867 ppm1 1.790 ppm2 4.231 volume 0.1830 assi ((( attr rmsd < 1.840) and (attr rmsd > 1.740)) and bondedto(attr rmsd < 27.146 and attr rmsd > 26.146)) ( attr rmsd < 4.281 and attr rmsd > 4.181) 6 6 0 peak 21867 ppm1 1.790 ppm2 4.231 volume 0.1830 assi ((( attr rmsd < 1.534) and (attr rmsd > 1.434)) and bondedto(attr rmsd < 74.796 and attr rmsd > 73.796)) ( attr rmsd < 1.006 and attr rmsd > 0.906) 6 6 0 peak 11868 ppm1 1.484 ppm2 0.956 volume 0.9447 assi ((( attr rmsd < 1.534) and (attr rmsd > 1.434)) and bondedto(attr rmsd < 27.276 and attr rmsd > 26.276)) ( attr rmsd < 1.006 and attr rmsd > 0.906) 6 6 0 peak 21868 ppm1 1.484 ppm2 0.956 volume 0.9447 assi ((( attr rmsd < 1.530) and (attr rmsd > 1.430)) and bondedto(attr rmsd < 74.783 and attr rmsd > 73.783)) ( attr rmsd < 0.723 and attr rmsd > 0.623) 6 6 0 peak 11869 ppm1 1.480 ppm2 0.673 volume 0.8463 assi ((( attr rmsd < 1.530) and (attr rmsd > 1.430)) and bondedto(attr rmsd < 27.263 and attr rmsd > 26.263)) ( attr rmsd < 0.723 and attr rmsd > 0.623) 6 6 0 peak 21869 ppm1 1.480 ppm2 0.673 volume 0.8463 assi ((( attr rmsd < 0.993) and (attr rmsd > 0.893)) and bondedto(attr rmsd < 74.803 and attr rmsd > 73.803)) ( attr rmsd < 0.720 and attr rmsd > 0.620) 6 6 0 peak 11870 ppm1 0.943 ppm2 0.670 volume 0.8016 assi ((( attr rmsd < 0.993) and (attr rmsd > 0.893)) and bondedto(attr rmsd < 27.283 and attr rmsd > 26.283)) ( attr rmsd < 0.720 and attr rmsd > 0.620) 6 6 0 peak 21870 ppm1 0.943 ppm2 0.670 volume 0.8016 assi ((( attr rmsd < 0.987) and (attr rmsd > 0.887)) and bondedto(attr rmsd < 74.756 and attr rmsd > 73.756)) ( attr rmsd < 1.534 and attr rmsd > 1.434) 6 6 0 peak 11871 ppm1 0.937 ppm2 1.484 volume 0.9984 assi ((( attr rmsd < 0.987) and (attr rmsd > 0.887)) and bondedto(attr rmsd < 27.236 and attr rmsd > 26.236)) ( attr rmsd < 1.534 and attr rmsd > 1.434) 6 6 0 peak 21871 ppm1 0.937 ppm2 1.484 volume 0.9984 assi ((( attr rmsd < 0.941) and (attr rmsd > 0.841)) and bondedto(attr rmsd < 74.719 and attr rmsd > 73.719)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 11872 ppm1 0.891 ppm2 4.766 volume 0.2561 assi ((( attr rmsd < 0.941) and (attr rmsd > 0.841)) and bondedto(attr rmsd < 27.199 and attr rmsd > 26.199)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 21872 ppm1 0.891 ppm2 4.766 volume 0.2561 assi ((( attr rmsd < 0.941) and (attr rmsd > 0.841)) and bondedto(attr rmsd < 74.681 and attr rmsd > 73.681)) ( attr rmsd < 4.549 and attr rmsd > 4.449) 6 6 0 peak 11873 ppm1 0.891 ppm2 4.499 volume 0.2430 assi ((( attr rmsd < 0.941) and (attr rmsd > 0.841)) and bondedto(attr rmsd < 27.161 and attr rmsd > 26.161)) ( attr rmsd < 4.549 and attr rmsd > 4.449) 6 6 0 peak 21873 ppm1 0.891 ppm2 4.499 volume 0.2430 assi ((( attr rmsd < 0.944) and (attr rmsd > 0.844)) and bondedto(attr rmsd < 74.672 and attr rmsd > 73.672)) ( attr rmsd < 2.274 and attr rmsd > 2.174) 6 6 0 peak 11874 ppm1 0.894 ppm2 2.224 volume 0.1702 assi ((( attr rmsd < 0.944) and (attr rmsd > 0.844)) and bondedto(attr rmsd < 27.152 and attr rmsd > 26.152)) ( attr rmsd < 2.274 and attr rmsd > 2.174) 6 6 0 peak 21874 ppm1 0.894 ppm2 2.224 volume 0.1702 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 74.709 and attr rmsd > 73.709)) ( attr rmsd < 3.886 and attr rmsd > 3.786) 6 6 0 peak 11875 ppm1 0.886 ppm2 3.836 volume 0.6831 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 27.189 and attr rmsd > 26.189)) ( attr rmsd < 3.886 and attr rmsd > 3.786) 6 6 0 peak 21875 ppm1 0.886 ppm2 3.836 volume 0.6831 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 74.681 and attr rmsd > 73.681)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 11876 ppm1 0.886 ppm2 1.874 volume 1.7680 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 27.161 and attr rmsd > 26.161)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 21876 ppm1 0.886 ppm2 1.874 volume 1.7680 assi ((( attr rmsd < 0.933) and (attr rmsd > 0.833)) and bondedto(attr rmsd < 74.685 and attr rmsd > 73.685)) ( attr rmsd < 1.616 and attr rmsd > 1.516) 6 6 0 peak 11877 ppm1 0.883 ppm2 1.566 volume 0.7410 assi ((( attr rmsd < 0.933) and (attr rmsd > 0.833)) and bondedto(attr rmsd < 27.165 and attr rmsd > 26.165)) ( attr rmsd < 1.616 and attr rmsd > 1.516) 6 6 0 peak 21877 ppm1 0.883 ppm2 1.566 volume 0.7410 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 74.672 and attr rmsd > 73.672)) ( attr rmsd < 0.942 and attr rmsd > 0.842) 6 6 0 peak 11878 ppm1 0.886 ppm2 0.892 volume 13.9842 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 27.152 and attr rmsd > 26.152)) ( attr rmsd < 0.942 and attr rmsd > 0.842) 6 6 0 peak 21878 ppm1 0.886 ppm2 0.892 volume 13.9842 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 74.758 and attr rmsd > 73.758)) ( attr rmsd < 1.538 and attr rmsd > 1.438) 6 6 0 peak 11879 ppm1 0.661 ppm2 1.488 volume 0.1563 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 27.238 and attr rmsd > 26.238)) ( attr rmsd < 1.538 and attr rmsd > 1.438) 6 6 0 peak 21879 ppm1 0.661 ppm2 1.488 volume 0.1563 assi ((( attr rmsd < 0.930) and (attr rmsd > 0.830)) and bondedto(attr rmsd < 50.893 and attr rmsd > 49.893)) ( attr rmsd < 0.717 and attr rmsd > 0.617) 6 6 0 peak 1880 ppm1 0.880 ppm2 0.667 volume 0.4742 assi ((( attr rmsd < 4.165) and (attr rmsd > 4.065)) and bondedto(attr rmsd < 74.618 and attr rmsd > 73.618)) ( attr rmsd < 4.168 and attr rmsd > 4.068) 6 6 0 peak 11881 ppm1 4.115 ppm2 4.118 volume 0.4283 assi ((( attr rmsd < 4.165) and (attr rmsd > 4.065)) and bondedto(attr rmsd < 27.098 and attr rmsd > 26.098)) ( attr rmsd < 4.168 and attr rmsd > 4.068) 6 6 0 peak 21881 ppm1 4.115 ppm2 4.118 volume 0.4283 assi ((( attr rmsd < 1.906) and (attr rmsd > 1.806)) and bondedto(attr rmsd < 74.558 and attr rmsd > 73.558)) ( attr rmsd < 1.921 and attr rmsd > 1.821) 6 6 0 peak 11882 ppm1 1.856 ppm2 1.871 volume 0.9092 assi ((( attr rmsd < 1.906) and (attr rmsd > 1.806)) and bondedto(attr rmsd < 27.038 and attr rmsd > 26.038)) ( attr rmsd < 1.921 and attr rmsd > 1.821) 6 6 0 peak 21882 ppm1 1.856 ppm2 1.871 volume 0.9092 assi ((( attr rmsd < 1.907) and (attr rmsd > 1.807)) and bondedto(attr rmsd < 74.624 and attr rmsd > 73.624)) ( attr rmsd < 0.948 and attr rmsd > 0.848) 6 6 0 peak 11883 ppm1 1.857 ppm2 0.898 volume 1.4351 assi ((( attr rmsd < 1.907) and (attr rmsd > 1.807)) and bondedto(attr rmsd < 27.104 and attr rmsd > 26.104)) ( attr rmsd < 0.948 and attr rmsd > 0.848) 6 6 0 peak 21883 ppm1 1.857 ppm2 0.898 volume 1.4351 assi ((( attr rmsd < 4.954) and (attr rmsd > 4.854)) and bondedto(attr rmsd < 50.794 and attr rmsd > 49.794)) ( attr rmsd < 4.934 and attr rmsd > 4.834) 6 6 0 peak 1884 ppm1 4.904 ppm2 4.884 volume 0.2175 assi ((( attr rmsd < 2.066) and (attr rmsd > 1.966)) and bondedto(attr rmsd < 50.733 and attr rmsd > 49.733)) ( attr rmsd < 2.064 and attr rmsd > 1.964) 6 6 0 peak 1885 ppm1 2.016 ppm2 2.014 volume 0.6072 assi ((( attr rmsd < 1.565) and (attr rmsd > 1.465)) and bondedto(attr rmsd < 50.721 and attr rmsd > 49.721)) ( attr rmsd < 1.566 and attr rmsd > 1.466) 6 6 0 peak 1886 ppm1 1.515 ppm2 1.516 volume 0.4469 assi ((( attr rmsd < 1.548) and (attr rmsd > 1.448)) and bondedto(attr rmsd < 50.779 and attr rmsd > 49.779)) ( attr rmsd < 1.261 and attr rmsd > 1.161) 6 6 0 peak 1887 ppm1 1.498 ppm2 1.211 volume 0.1508 assi ((( attr rmsd < 1.262) and (attr rmsd > 1.162)) and bondedto(attr rmsd < 50.780 and attr rmsd > 49.780)) ( attr rmsd < 1.546 and attr rmsd > 1.446) 6 6 0 peak 1888 ppm1 1.212 ppm2 1.496 volume 0.1821 assi ((( attr rmsd < 1.260) and (attr rmsd > 1.160)) and bondedto(attr rmsd < 50.760 and attr rmsd > 49.760)) ( attr rmsd < 0.938 and attr rmsd > 0.838) 6 6 0 peak 1889 ppm1 1.210 ppm2 0.888 volume 0.2147 assi ((( attr rmsd < 1.254) and (attr rmsd > 1.154)) and bondedto(attr rmsd < 50.719 and attr rmsd > 49.719)) ( attr rmsd < 1.256 and attr rmsd > 1.156) 6 6 0 peak 1890 ppm1 1.204 ppm2 1.206 volume 0.9199 assi ((( attr rmsd < 1.013) and (attr rmsd > 0.913)) and bondedto(attr rmsd < 50.807 and attr rmsd > 49.807)) ( attr rmsd < 1.136 and attr rmsd > 1.036) 6 6 0 peak 1891 ppm1 0.963 ppm2 1.086 volume 0.1821 assi ((( attr rmsd < 0.933) and (attr rmsd > 0.833)) and bondedto(attr rmsd < 50.785 and attr rmsd > 49.785)) ( attr rmsd < 1.276 and attr rmsd > 1.176) 6 6 0 peak 1892 ppm1 0.883 ppm2 1.226 volume 0.1640 assi ((( attr rmsd < 0.935) and (attr rmsd > 0.835)) and bondedto(attr rmsd < 50.803 and attr rmsd > 49.803)) ( attr rmsd < 1.124 and attr rmsd > 1.024) 6 6 0 peak 1893 ppm1 0.885 ppm2 1.074 volume 0.1987 assi ((( attr rmsd < 0.810) and (attr rmsd > 0.710)) and bondedto(attr rmsd < 50.760 and attr rmsd > 49.760)) ( attr rmsd < 0.793 and attr rmsd > 0.693) 6 6 0 peak 1894 ppm1 0.760 ppm2 0.743 volume 0.1600 assi ((( attr rmsd < 0.748) and (attr rmsd > 0.648)) and bondedto(attr rmsd < 50.876 and attr rmsd > 49.876)) ( attr rmsd < 0.745 and attr rmsd > 0.645) 6 6 0 peak 1895 ppm1 0.698 ppm2 0.695 volume 0.3046 assi ((( attr rmsd < 5.501) and (attr rmsd > 5.401)) and bondedto(attr rmsd < 74.375 and attr rmsd > 73.375)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11896 ppm1 5.451 ppm2 4.775 volume 0.1631 assi ((( attr rmsd < 5.501) and (attr rmsd > 5.401)) and bondedto(attr rmsd < 26.855 and attr rmsd > 25.855)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21896 ppm1 5.451 ppm2 4.775 volume 0.1631 assi ((( attr rmsd < 5.448) and (attr rmsd > 5.348)) and bondedto(attr rmsd < 74.433 and attr rmsd > 73.433)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11897 ppm1 5.398 ppm2 4.774 volume 0.1505 assi ((( attr rmsd < 5.448) and (attr rmsd > 5.348)) and bondedto(attr rmsd < 26.913 and attr rmsd > 25.913)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21897 ppm1 5.398 ppm2 4.774 volume 0.1505 assi ((( attr rmsd < 5.399) and (attr rmsd > 5.299)) and bondedto(attr rmsd < 74.339 and attr rmsd > 73.339)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 11898 ppm1 5.349 ppm2 4.774 volume 0.1548 assi ((( attr rmsd < 5.399) and (attr rmsd > 5.299)) and bondedto(attr rmsd < 26.819 and attr rmsd > 25.819)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 21898 ppm1 5.349 ppm2 4.774 volume 0.1548 assi ((( attr rmsd < 1.836) and (attr rmsd > 1.736)) and bondedto(attr rmsd < 74.314 and attr rmsd > 73.314)) ( attr rmsd < 0.746 and attr rmsd > 0.646) 6 6 0 peak 11899 ppm1 1.786 ppm2 0.696 volume 0.4219 assi ((( attr rmsd < 1.836) and (attr rmsd > 1.736)) and bondedto(attr rmsd < 26.794 and attr rmsd > 25.794)) ( attr rmsd < 0.746 and attr rmsd > 0.646) 6 6 0 peak 21899 ppm1 1.786 ppm2 0.696 volume 0.4219 assi ((( attr rmsd < 1.667) and (attr rmsd > 1.567)) and bondedto(attr rmsd < 74.369 and attr rmsd > 73.369)) ( attr rmsd < 0.986 and attr rmsd > 0.886) 6 6 0 peak 11900 ppm1 1.617 ppm2 0.936 volume 0.4341 assi ((( attr rmsd < 1.667) and (attr rmsd > 1.567)) and bondedto(attr rmsd < 26.849 and attr rmsd > 25.849)) ( attr rmsd < 0.986 and attr rmsd > 0.886) 6 6 0 peak 21900 ppm1 1.617 ppm2 0.936 volume 0.4341 assi ((( attr rmsd < 0.860) and (attr rmsd > 0.760)) and bondedto(attr rmsd < 74.304 and attr rmsd > 73.304)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 11901 ppm1 0.810 ppm2 4.775 volume 0.1825 assi ((( attr rmsd < 0.860) and (attr rmsd > 0.760)) and bondedto(attr rmsd < 26.784 and attr rmsd > 25.784)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 21901 ppm1 0.810 ppm2 4.775 volume 0.1825 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 50.581 and attr rmsd > 49.581)) ( attr rmsd < 3.739 and attr rmsd > 3.639) 6 6 0 peak 1902 ppm1 4.838 ppm2 3.689 volume 0.1480 assi ((( attr rmsd < 4.884) and (attr rmsd > 4.784)) and bondedto(attr rmsd < 50.567 and attr rmsd > 49.567)) ( attr rmsd < 3.640 and attr rmsd > 3.540) 6 6 0 peak 1903 ppm1 4.834 ppm2 3.590 volume 0.1448 assi ((( attr rmsd < 4.750) and (attr rmsd > 4.650)) and bondedto(attr rmsd < 50.517 and attr rmsd > 49.517)) ( attr rmsd < 3.639 and attr rmsd > 3.539) 6 6 0 peak 1904 ppm1 4.700 ppm2 3.589 volume 0.1955 assi ((( attr rmsd < 4.632) and (attr rmsd > 4.532)) and bondedto(attr rmsd < 50.536 and attr rmsd > 49.536)) ( attr rmsd < 4.776 and attr rmsd > 4.676) 6 6 0 peak 1905 ppm1 4.582 ppm2 4.726 volume 0.1556 assi ((( attr rmsd < 3.863) and (attr rmsd > 3.763)) and bondedto(attr rmsd < 50.651 and attr rmsd > 49.651)) ( attr rmsd < 3.868 and attr rmsd > 3.768) 6 6 0 peak 1906 ppm1 3.813 ppm2 3.818 volume 1.8036 assi ((( attr rmsd < 3.857) and (attr rmsd > 3.757)) and bondedto(attr rmsd < 50.566 and attr rmsd > 49.566)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 1907 ppm1 3.807 ppm2 3.594 volume 0.3333 assi ((( attr rmsd < 3.741) and (attr rmsd > 3.641)) and bondedto(attr rmsd < 50.572 and attr rmsd > 49.572)) ( attr rmsd < 5.078 and attr rmsd > 4.978) 6 6 0 peak 1908 ppm1 3.691 ppm2 5.028 volume 0.6852 assi ((( attr rmsd < 3.743) and (attr rmsd > 3.643)) and bondedto(attr rmsd < 50.590 and attr rmsd > 49.590)) ( attr rmsd < 3.745 and attr rmsd > 3.645) 6 6 0 peak 1909 ppm1 3.693 ppm2 3.695 volume 1.3107 assi ((( attr rmsd < 3.736) and (attr rmsd > 3.636)) and bondedto(attr rmsd < 50.574 and attr rmsd > 49.574)) ( attr rmsd < 3.647 and attr rmsd > 3.547) 6 6 0 peak 1910 ppm1 3.686 ppm2 3.597 volume 1.7311 assi ((( attr rmsd < 3.738) and (attr rmsd > 3.638)) and bondedto(attr rmsd < 50.601 and attr rmsd > 49.601)) ( attr rmsd < 2.212 and attr rmsd > 2.112) 6 6 0 peak 1911 ppm1 3.688 ppm2 2.162 volume 0.3587 assi ((( attr rmsd < 3.739) and (attr rmsd > 3.639)) and bondedto(attr rmsd < 50.607 and attr rmsd > 49.607)) ( attr rmsd < 2.078 and attr rmsd > 1.978) 6 6 0 peak 1912 ppm1 3.689 ppm2 2.028 volume 0.4429 assi ((( attr rmsd < 3.731) and (attr rmsd > 3.631)) and bondedto(attr rmsd < 50.525 and attr rmsd > 49.525)) ( attr rmsd < 2.384 and attr rmsd > 2.284) 6 6 0 peak 1913 ppm1 3.681 ppm2 2.334 volume 0.1759 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 50.562 and attr rmsd > 49.562)) ( attr rmsd < 5.073 and attr rmsd > 4.973) 6 6 0 peak 1914 ppm1 3.582 ppm2 5.023 volume 0.6568 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 50.546 and attr rmsd > 49.546)) ( attr rmsd < 3.733 and attr rmsd > 3.633) 6 6 0 peak 1915 ppm1 3.581 ppm2 3.683 volume 1.4492 assi ((( attr rmsd < 3.637) and (attr rmsd > 3.537)) and bondedto(attr rmsd < 50.567 and attr rmsd > 49.567)) ( attr rmsd < 3.293 and attr rmsd > 3.193) 6 6 0 peak 1916 ppm1 3.587 ppm2 3.243 volume 0.1795 assi ((( attr rmsd < 3.637) and (attr rmsd > 3.537)) and bondedto(attr rmsd < 50.571 and attr rmsd > 49.571)) ( attr rmsd < 2.374 and attr rmsd > 2.274) 6 6 0 peak 1917 ppm1 3.587 ppm2 2.324 volume 0.1984 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 50.571 and attr rmsd > 49.571)) ( attr rmsd < 2.214 and attr rmsd > 2.114) 6 6 0 peak 1918 ppm1 3.580 ppm2 2.164 volume 0.3433 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 50.577 and attr rmsd > 49.577)) ( attr rmsd < 2.075 and attr rmsd > 1.975) 6 6 0 peak 1919 ppm1 3.581 ppm2 2.025 volume 0.5430 assi ((( attr rmsd < 3.620) and (attr rmsd > 3.520)) and bondedto(attr rmsd < 50.531 and attr rmsd > 49.531)) ( attr rmsd < 3.638 and attr rmsd > 3.538) 6 6 0 peak 1920 ppm1 3.570 ppm2 3.588 volume 1.4344 assi ((( attr rmsd < 1.716) and (attr rmsd > 1.616)) and bondedto(attr rmsd < 50.556 and attr rmsd > 49.556)) ( attr rmsd < 1.651 and attr rmsd > 1.551) 6 6 0 peak 1921 ppm1 1.666 ppm2 1.601 volume 0.4577 assi ((( attr rmsd < 1.418) and (attr rmsd > 1.318)) and bondedto(attr rmsd < 50.683 and attr rmsd > 49.683)) ( attr rmsd < 1.419 and attr rmsd > 1.319) 6 6 0 peak 1922 ppm1 1.368 ppm2 1.369 volume 0.4301 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 74.180 and attr rmsd > 73.180)) ( attr rmsd < 4.781 and attr rmsd > 4.681) 6 6 0 peak 11923 ppm1 4.690 ppm2 4.731 volume 0.5682 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 26.660 and attr rmsd > 25.660)) ( attr rmsd < 4.781 and attr rmsd > 4.681) 6 6 0 peak 21923 ppm1 4.690 ppm2 4.731 volume 0.5682 assi ((( attr rmsd < 3.935) and (attr rmsd > 3.835)) and bondedto(attr rmsd < 74.166 and attr rmsd > 73.166)) ( attr rmsd < 4.505 and attr rmsd > 4.405) 6 6 0 peak 11924 ppm1 3.885 ppm2 4.455 volume 0.1548 assi ((( attr rmsd < 3.935) and (attr rmsd > 3.835)) and bondedto(attr rmsd < 26.646 and attr rmsd > 25.646)) ( attr rmsd < 4.505 and attr rmsd > 4.405) 6 6 0 peak 21924 ppm1 3.885 ppm2 4.455 volume 0.1548 assi ((( attr rmsd < 3.934) and (attr rmsd > 3.834)) and bondedto(attr rmsd < 74.176 and attr rmsd > 73.176)) ( attr rmsd < 3.791 and attr rmsd > 3.691) 6 6 0 peak 11925 ppm1 3.884 ppm2 3.741 volume 0.2106 assi ((( attr rmsd < 3.934) and (attr rmsd > 3.834)) and bondedto(attr rmsd < 26.656 and attr rmsd > 25.656)) ( attr rmsd < 3.791 and attr rmsd > 3.691) 6 6 0 peak 21925 ppm1 3.884 ppm2 3.741 volume 0.2106 assi ((( attr rmsd < 3.228) and (attr rmsd > 3.128)) and bondedto(attr rmsd < 74.128 and attr rmsd > 73.128)) ( attr rmsd < 3.129 and attr rmsd > 3.029) 6 6 0 peak 11926 ppm1 3.178 ppm2 3.079 volume 0.2735 assi ((( attr rmsd < 3.228) and (attr rmsd > 3.128)) and bondedto(attr rmsd < 26.608 and attr rmsd > 25.608)) ( attr rmsd < 3.129 and attr rmsd > 3.029) 6 6 0 peak 21926 ppm1 3.178 ppm2 3.079 volume 0.2735 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 74.163 and attr rmsd > 73.163)) ( attr rmsd < 5.016 and attr rmsd > 4.916) 6 6 0 peak 11927 ppm1 0.819 ppm2 4.966 volume 0.2364 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 26.643 and attr rmsd > 25.643)) ( attr rmsd < 5.016 and attr rmsd > 4.916) 6 6 0 peak 21927 ppm1 0.819 ppm2 4.966 volume 0.2364 assi ((( attr rmsd < 0.868) and (attr rmsd > 0.768)) and bondedto(attr rmsd < 74.114 and attr rmsd > 73.114)) ( attr rmsd < 4.188 and attr rmsd > 4.088) 6 6 0 peak 11928 ppm1 0.818 ppm2 4.138 volume 0.4657 assi ((( attr rmsd < 0.868) and (attr rmsd > 0.768)) and bondedto(attr rmsd < 26.594 and attr rmsd > 25.594)) ( attr rmsd < 4.188 and attr rmsd > 4.088) 6 6 0 peak 21928 ppm1 0.818 ppm2 4.138 volume 0.4657 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 74.148 and attr rmsd > 73.148)) ( attr rmsd < 3.079 and attr rmsd > 2.979) 6 6 0 peak 11929 ppm1 0.819 ppm2 3.029 volume 0.4668 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 26.628 and attr rmsd > 25.628)) ( attr rmsd < 3.079 and attr rmsd > 2.979) 6 6 0 peak 21929 ppm1 0.819 ppm2 3.029 volume 0.4668 assi ((( attr rmsd < 0.867) and (attr rmsd > 0.767)) and bondedto(attr rmsd < 74.139 and attr rmsd > 73.139)) ( attr rmsd < 2.473 and attr rmsd > 2.373) 6 6 0 peak 11930 ppm1 0.817 ppm2 2.423 volume 0.2761 assi ((( attr rmsd < 0.867) and (attr rmsd > 0.767)) and bondedto(attr rmsd < 26.619 and attr rmsd > 25.619)) ( attr rmsd < 2.473 and attr rmsd > 2.373) 6 6 0 peak 21930 ppm1 0.817 ppm2 2.423 volume 0.2761 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 74.169 and attr rmsd > 73.169)) ( attr rmsd < 1.398 and attr rmsd > 1.298) 6 6 0 peak 11931 ppm1 0.819 ppm2 1.348 volume 1.3251 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 26.649 and attr rmsd > 25.649)) ( attr rmsd < 1.398 and attr rmsd > 1.298) 6 6 0 peak 21931 ppm1 0.819 ppm2 1.348 volume 1.3251 assi ((( attr rmsd < 4.756) and (attr rmsd > 4.656)) and bondedto(attr rmsd < 50.382 and attr rmsd > 49.382)) ( attr rmsd < 4.713 and attr rmsd > 4.613) 6 6 0 peak 1932 ppm1 4.706 ppm2 4.663 volume 0.2456 assi ((( attr rmsd < 4.663) and (attr rmsd > 4.563)) and bondedto(attr rmsd < 50.478 and attr rmsd > 49.478)) ( attr rmsd < 4.778 and attr rmsd > 4.678) 6 6 0 peak 1933 ppm1 4.613 ppm2 4.728 volume 0.1539 assi ((( attr rmsd < 3.997) and (attr rmsd > 3.897)) and bondedto(attr rmsd < 50.376 and attr rmsd > 49.376)) ( attr rmsd < 3.944 and attr rmsd > 3.844) 6 6 0 peak 1934 ppm1 3.947 ppm2 3.894 volume 1.0216 assi ((( attr rmsd < 3.984) and (attr rmsd > 3.884)) and bondedto(attr rmsd < 50.430 and attr rmsd > 49.430)) ( attr rmsd < 0.836 and attr rmsd > 0.736) 6 6 0 peak 1935 ppm1 3.934 ppm2 0.786 volume 0.3723 assi ((( attr rmsd < 3.978) and (attr rmsd > 3.878)) and bondedto(attr rmsd < 50.447 and attr rmsd > 49.447)) ( attr rmsd < 4.683 and attr rmsd > 4.583) 6 6 0 peak 1936 ppm1 3.928 ppm2 4.633 volume 0.7122 assi ((( attr rmsd < 3.975) and (attr rmsd > 3.875)) and bondedto(attr rmsd < 50.459 and attr rmsd > 49.459)) ( attr rmsd < 2.219 and attr rmsd > 2.119) 6 6 0 peak 1937 ppm1 3.925 ppm2 2.169 volume 0.3360 assi ((( attr rmsd < 3.977) and (attr rmsd > 3.877)) and bondedto(attr rmsd < 50.406 and attr rmsd > 49.406)) ( attr rmsd < 1.819 and attr rmsd > 1.719) 6 6 0 peak 1938 ppm1 3.927 ppm2 1.769 volume 0.3031 assi ((( attr rmsd < 3.981) and (attr rmsd > 3.881)) and bondedto(attr rmsd < 50.436 and attr rmsd > 49.436)) ( attr rmsd < 1.689 and attr rmsd > 1.589) 6 6 0 peak 1939 ppm1 3.931 ppm2 1.639 volume 0.1899 assi ((( attr rmsd < 3.938) and (attr rmsd > 3.838)) and bondedto(attr rmsd < 50.414 and attr rmsd > 49.414)) ( attr rmsd < 0.836 and attr rmsd > 0.736) 6 6 0 peak 1940 ppm1 3.888 ppm2 0.786 volume 0.3548 assi ((( attr rmsd < 3.928) and (attr rmsd > 3.828)) and bondedto(attr rmsd < 50.439 and attr rmsd > 49.439)) ( attr rmsd < 3.998 and attr rmsd > 3.898) 6 6 0 peak 1941 ppm1 3.878 ppm2 3.948 volume 1.1501 assi ((( attr rmsd < 3.934) and (attr rmsd > 3.834)) and bondedto(attr rmsd < 50.473 and attr rmsd > 49.473)) ( attr rmsd < 2.217 and attr rmsd > 2.117) 6 6 0 peak 1942 ppm1 3.884 ppm2 2.167 volume 0.3613 assi ((( attr rmsd < 3.931) and (attr rmsd > 3.831)) and bondedto(attr rmsd < 50.423 and attr rmsd > 49.423)) ( attr rmsd < 1.817 and attr rmsd > 1.717) 6 6 0 peak 1943 ppm1 3.881 ppm2 1.767 volume 0.3372 assi ((( attr rmsd < 3.931) and (attr rmsd > 3.831)) and bondedto(attr rmsd < 50.393 and attr rmsd > 49.393)) ( attr rmsd < 1.693 and attr rmsd > 1.593) 6 6 0 peak 1944 ppm1 3.881 ppm2 1.643 volume 0.1697 assi ((( attr rmsd < 3.743) and (attr rmsd > 3.643)) and bondedto(attr rmsd < 50.469 and attr rmsd > 49.469)) ( attr rmsd < 3.298 and attr rmsd > 3.198) 6 6 0 peak 1945 ppm1 3.693 ppm2 3.248 volume 0.1535 assi ((( attr rmsd < 3.738) and (attr rmsd > 3.638)) and bondedto(attr rmsd < 50.512 and attr rmsd > 49.512)) ( attr rmsd < 0.871 and attr rmsd > 0.771) 6 6 0 peak 1946 ppm1 3.688 ppm2 0.821 volume 0.2819 assi ((( attr rmsd < 3.641) and (attr rmsd > 3.541)) and bondedto(attr rmsd < 50.473 and attr rmsd > 49.473)) ( attr rmsd < 0.870 and attr rmsd > 0.770) 6 6 0 peak 1947 ppm1 3.591 ppm2 0.820 volume 0.2548 assi ((( attr rmsd < 3.236) and (attr rmsd > 3.136)) and bondedto(attr rmsd < 50.379 and attr rmsd > 49.379)) ( attr rmsd < 3.241 and attr rmsd > 3.141) 6 6 0 peak 1948 ppm1 3.186 ppm2 3.191 volume 2.3972 assi ((( attr rmsd < 3.238) and (attr rmsd > 3.138)) and bondedto(attr rmsd < 50.390 and attr rmsd > 49.390)) ( attr rmsd < 3.051 and attr rmsd > 2.951) 6 6 0 peak 1949 ppm1 3.188 ppm2 3.001 volume 0.1690 assi ((( attr rmsd < 3.033) and (attr rmsd > 2.933)) and bondedto(attr rmsd < 50.393 and attr rmsd > 49.393)) ( attr rmsd < 3.225 and attr rmsd > 3.125) 6 6 0 peak 1950 ppm1 2.983 ppm2 3.175 volume 0.2685 assi ((( attr rmsd < 2.174) and (attr rmsd > 2.074)) and bondedto(attr rmsd < 50.478 and attr rmsd > 49.478)) ( attr rmsd < 2.181 and attr rmsd > 2.081) 6 6 0 peak 1951 ppm1 2.124 ppm2 2.131 volume 0.2883 assi ((( attr rmsd < 1.658) and (attr rmsd > 1.558)) and bondedto(attr rmsd < 50.421 and attr rmsd > 49.421)) ( attr rmsd < 1.661 and attr rmsd > 1.561) 6 6 0 peak 1952 ppm1 1.608 ppm2 1.611 volume 0.7613 assi ((( attr rmsd < 1.084) and (attr rmsd > 0.984)) and bondedto(attr rmsd < 50.387 and attr rmsd > 49.387)) ( attr rmsd < 1.100 and attr rmsd > 1.000) 6 6 0 peak 1953 ppm1 1.034 ppm2 1.050 volume 0.1469 assi ((( attr rmsd < 1.060) and (attr rmsd > 0.960)) and bondedto(attr rmsd < 74.071 and attr rmsd > 73.071)) ( attr rmsd < 0.975 and attr rmsd > 0.875) 6 6 0 peak 11954 ppm1 1.010 ppm2 0.925 volume 0.2322 assi ((( attr rmsd < 1.060) and (attr rmsd > 0.960)) and bondedto(attr rmsd < 26.551 and attr rmsd > 25.551)) ( attr rmsd < 0.975 and attr rmsd > 0.875) 6 6 0 peak 21954 ppm1 1.010 ppm2 0.925 volume 0.2322 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 73.995 and attr rmsd > 72.995)) ( attr rmsd < 2.390 and attr rmsd > 2.290) 6 6 0 peak 11955 ppm1 0.819 ppm2 2.340 volume 0.3047 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 26.475 and attr rmsd > 25.475)) ( attr rmsd < 2.390 and attr rmsd > 2.290) 6 6 0 peak 21955 ppm1 0.819 ppm2 2.340 volume 0.3047 assi ((( attr rmsd < 0.870) and (attr rmsd > 0.770)) and bondedto(attr rmsd < 73.910 and attr rmsd > 72.910)) ( attr rmsd < 1.527 and attr rmsd > 1.427) 6 6 0 peak 11956 ppm1 0.820 ppm2 1.477 volume 0.3723 assi ((( attr rmsd < 0.870) and (attr rmsd > 0.770)) and bondedto(attr rmsd < 26.390 and attr rmsd > 25.390)) ( attr rmsd < 1.527 and attr rmsd > 1.427) 6 6 0 peak 21956 ppm1 0.820 ppm2 1.477 volume 0.3723 assi ((( attr rmsd < 1.401) and (attr rmsd > 1.301)) and bondedto(attr rmsd < 50.196 and attr rmsd > 49.196)) ( attr rmsd < 0.872 and attr rmsd > 0.772) 6 6 0 peak 1957 ppm1 1.351 ppm2 0.822 volume 0.3492 assi ((( attr rmsd < 1.015) and (attr rmsd > 0.915)) and bondedto(attr rmsd < 50.182 and attr rmsd > 49.182)) ( attr rmsd < 1.772 and attr rmsd > 1.672) 6 6 0 peak 1958 ppm1 0.965 ppm2 1.722 volume 0.1520 assi ((( attr rmsd < 1.009) and (attr rmsd > 0.909)) and bondedto(attr rmsd < 50.149 and attr rmsd > 49.149)) ( attr rmsd < 1.537 and attr rmsd > 1.437) 6 6 0 peak 1959 ppm1 0.959 ppm2 1.487 volume 0.1477 assi ((( attr rmsd < 0.992) and (attr rmsd > 0.892)) and bondedto(attr rmsd < 50.264 and attr rmsd > 49.264)) ( attr rmsd < 0.998 and attr rmsd > 0.898) 6 6 0 peak 1960 ppm1 0.942 ppm2 0.948 volume 3.6695 assi ((( attr rmsd < 4.799) and (attr rmsd > 4.699)) and bondedto(attr rmsd < 73.735 and attr rmsd > 72.735)) ( attr rmsd < 0.746 and attr rmsd > 0.646) 6 6 0 peak 11961 ppm1 4.749 ppm2 0.696 volume 0.1671 assi ((( attr rmsd < 4.799) and (attr rmsd > 4.699)) and bondedto(attr rmsd < 26.215 and attr rmsd > 25.215)) ( attr rmsd < 0.746 and attr rmsd > 0.646) 6 6 0 peak 21961 ppm1 4.749 ppm2 0.696 volume 0.1671 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 73.718 and attr rmsd > 72.718)) ( attr rmsd < 0.870 and attr rmsd > 0.770) 6 6 0 peak 11962 ppm1 4.710 ppm2 0.820 volume 0.3167 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 26.198 and attr rmsd > 25.198)) ( attr rmsd < 0.870 and attr rmsd > 0.770) 6 6 0 peak 21962 ppm1 4.710 ppm2 0.820 volume 0.3167 assi ((( attr rmsd < 3.836) and (attr rmsd > 3.736)) and bondedto(attr rmsd < 73.854 and attr rmsd > 72.854)) ( attr rmsd < 3.841 and attr rmsd > 3.741) 6 6 0 peak 11963 ppm1 3.786 ppm2 3.791 volume 0.2518 assi ((( attr rmsd < 3.836) and (attr rmsd > 3.736)) and bondedto(attr rmsd < 26.334 and attr rmsd > 25.334)) ( attr rmsd < 3.841 and attr rmsd > 3.741) 6 6 0 peak 21963 ppm1 3.786 ppm2 3.791 volume 0.2518 assi ((( attr rmsd < 3.128) and (attr rmsd > 3.028)) and bondedto(attr rmsd < 73.817 and attr rmsd > 72.817)) ( attr rmsd < 3.143 and attr rmsd > 3.043) 6 6 0 peak 11964 ppm1 3.078 ppm2 3.093 volume 0.1489 assi ((( attr rmsd < 3.128) and (attr rmsd > 3.028)) and bondedto(attr rmsd < 26.297 and attr rmsd > 25.297)) ( attr rmsd < 3.143 and attr rmsd > 3.043) 6 6 0 peak 21964 ppm1 3.078 ppm2 3.093 volume 0.1489 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 73.833 and attr rmsd > 72.833)) ( attr rmsd < 3.083 and attr rmsd > 2.983) 6 6 0 peak 11965 ppm1 3.029 ppm2 3.033 volume 0.3240 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 26.313 and attr rmsd > 25.313)) ( attr rmsd < 3.083 and attr rmsd > 2.983) 6 6 0 peak 21965 ppm1 3.029 ppm2 3.033 volume 0.3240 assi ((( attr rmsd < 1.933) and (attr rmsd > 1.833)) and bondedto(attr rmsd < 73.752 and attr rmsd > 72.752)) ( attr rmsd < 1.774 and attr rmsd > 1.674) 6 6 0 peak 11966 ppm1 1.883 ppm2 1.724 volume 0.2031 assi ((( attr rmsd < 1.933) and (attr rmsd > 1.833)) and bondedto(attr rmsd < 26.232 and attr rmsd > 25.232)) ( attr rmsd < 1.774 and attr rmsd > 1.674) 6 6 0 peak 21966 ppm1 1.883 ppm2 1.724 volume 0.2031 assi ((( attr rmsd < 1.765) and (attr rmsd > 1.665)) and bondedto(attr rmsd < 73.732 and attr rmsd > 72.732)) ( attr rmsd < 3.973 and attr rmsd > 3.873) 6 6 0 peak 11967 ppm1 1.715 ppm2 3.923 volume 0.2183 assi ((( attr rmsd < 1.765) and (attr rmsd > 1.665)) and bondedto(attr rmsd < 26.212 and attr rmsd > 25.212)) ( attr rmsd < 3.973 and attr rmsd > 3.873) 6 6 0 peak 21967 ppm1 1.715 ppm2 3.923 volume 0.2183 assi ((( attr rmsd < 1.672) and (attr rmsd > 1.572)) and bondedto(attr rmsd < 73.837 and attr rmsd > 72.837)) ( attr rmsd < 0.983 and attr rmsd > 0.883) 6 6 0 peak 11968 ppm1 1.622 ppm2 0.933 volume 0.4520 assi ((( attr rmsd < 1.672) and (attr rmsd > 1.572)) and bondedto(attr rmsd < 26.317 and attr rmsd > 25.317)) ( attr rmsd < 0.983 and attr rmsd > 0.883) 6 6 0 peak 21968 ppm1 1.622 ppm2 0.933 volume 0.4520 assi ((( attr rmsd < 1.546) and (attr rmsd > 1.446)) and bondedto(attr rmsd < 73.721 and attr rmsd > 72.721)) ( attr rmsd < 3.975 and attr rmsd > 3.875) 6 6 0 peak 11969 ppm1 1.496 ppm2 3.925 volume 0.2702 assi ((( attr rmsd < 1.546) and (attr rmsd > 1.446)) and bondedto(attr rmsd < 26.201 and attr rmsd > 25.201)) ( attr rmsd < 3.975 and attr rmsd > 3.875) 6 6 0 peak 21969 ppm1 1.496 ppm2 3.925 volume 0.2702 assi ((( attr rmsd < 0.882) and (attr rmsd > 0.782)) and bondedto(attr rmsd < 73.849 and attr rmsd > 72.849)) ( attr rmsd < 1.220 and attr rmsd > 1.120) 6 6 0 peak 11970 ppm1 0.832 ppm2 1.170 volume 0.1452 assi ((( attr rmsd < 0.882) and (attr rmsd > 0.782)) and bondedto(attr rmsd < 26.329 and attr rmsd > 25.329)) ( attr rmsd < 1.220 and attr rmsd > 1.120) 6 6 0 peak 21970 ppm1 0.832 ppm2 1.170 volume 0.1452 assi ((( attr rmsd < 0.868) and (attr rmsd > 0.768)) and bondedto(attr rmsd < 73.844 and attr rmsd > 72.844)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 11971 ppm1 0.818 ppm2 3.595 volume 0.1652 assi ((( attr rmsd < 0.868) and (attr rmsd > 0.768)) and bondedto(attr rmsd < 26.324 and attr rmsd > 25.324)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 21971 ppm1 0.818 ppm2 3.595 volume 0.1652 assi ((( attr rmsd < 0.866) and (attr rmsd > 0.766)) and bondedto(attr rmsd < 73.892 and attr rmsd > 72.892)) ( attr rmsd < 2.084 and attr rmsd > 1.984) 6 6 0 peak 11972 ppm1 0.816 ppm2 2.034 volume 0.5721 assi ((( attr rmsd < 0.866) and (attr rmsd > 0.766)) and bondedto(attr rmsd < 26.372 and attr rmsd > 25.372)) ( attr rmsd < 2.084 and attr rmsd > 1.984) 6 6 0 peak 21972 ppm1 0.816 ppm2 2.034 volume 0.5721 assi ((( attr rmsd < 0.863) and (attr rmsd > 0.763)) and bondedto(attr rmsd < 73.771 and attr rmsd > 72.771)) ( attr rmsd < 1.795 and attr rmsd > 1.695) 6 6 0 peak 11973 ppm1 0.813 ppm2 1.745 volume 1.5029 assi ((( attr rmsd < 0.863) and (attr rmsd > 0.763)) and bondedto(attr rmsd < 26.251 and attr rmsd > 25.251)) ( attr rmsd < 1.795 and attr rmsd > 1.695) 6 6 0 peak 21973 ppm1 0.813 ppm2 1.745 volume 1.5029 assi ((( attr rmsd < 0.860) and (attr rmsd > 0.760)) and bondedto(attr rmsd < 73.755 and attr rmsd > 72.755)) ( attr rmsd < 0.864 and attr rmsd > 0.764) 6 6 0 peak 11974 ppm1 0.810 ppm2 0.814 volume 32.4928 assi ((( attr rmsd < 0.860) and (attr rmsd > 0.760)) and bondedto(attr rmsd < 26.235 and attr rmsd > 25.235)) ( attr rmsd < 0.864 and attr rmsd > 0.764) 6 6 0 peak 21974 ppm1 0.810 ppm2 0.814 volume 32.4928 assi ((( attr rmsd < 0.740) and (attr rmsd > 0.640)) and bondedto(attr rmsd < 73.734 and attr rmsd > 72.734)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 11975 ppm1 0.690 ppm2 3.838 volume 0.1941 assi ((( attr rmsd < 0.740) and (attr rmsd > 0.640)) and bondedto(attr rmsd < 26.214 and attr rmsd > 25.214)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 21975 ppm1 0.690 ppm2 3.838 volume 0.1941 assi ((( attr rmsd < 0.739) and (attr rmsd > 0.639)) and bondedto(attr rmsd < 73.830 and attr rmsd > 72.830)) ( attr rmsd < 1.838 and attr rmsd > 1.738) 6 6 0 peak 11976 ppm1 0.689 ppm2 1.788 volume 0.7951 assi ((( attr rmsd < 0.739) and (attr rmsd > 0.639)) and bondedto(attr rmsd < 26.310 and attr rmsd > 25.310)) ( attr rmsd < 1.838 and attr rmsd > 1.738) 6 6 0 peak 21976 ppm1 0.689 ppm2 1.788 volume 0.7951 assi ((( attr rmsd < 0.737) and (attr rmsd > 0.637)) and bondedto(attr rmsd < 73.756 and attr rmsd > 72.756)) ( attr rmsd < 1.661 and attr rmsd > 1.561) 6 6 0 peak 11977 ppm1 0.687 ppm2 1.611 volume 0.6560 assi ((( attr rmsd < 0.737) and (attr rmsd > 0.637)) and bondedto(attr rmsd < 26.236 and attr rmsd > 25.236)) ( attr rmsd < 1.661 and attr rmsd > 1.561) 6 6 0 peak 21977 ppm1 0.687 ppm2 1.611 volume 0.6560 assi ((( attr rmsd < 0.741) and (attr rmsd > 0.641)) and bondedto(attr rmsd < 73.777 and attr rmsd > 72.777)) ( attr rmsd < 1.234 and attr rmsd > 1.134) 6 6 0 peak 11978 ppm1 0.691 ppm2 1.184 volume 0.1906 assi ((( attr rmsd < 0.741) and (attr rmsd > 0.641)) and bondedto(attr rmsd < 26.257 and attr rmsd > 25.257)) ( attr rmsd < 1.234 and attr rmsd > 1.134) 6 6 0 peak 21978 ppm1 0.691 ppm2 1.184 volume 0.1906 assi ((( attr rmsd < 0.739) and (attr rmsd > 0.639)) and bondedto(attr rmsd < 73.757 and attr rmsd > 72.757)) ( attr rmsd < 0.886 and attr rmsd > 0.786) 6 6 0 peak 11979 ppm1 0.689 ppm2 0.836 volume 1.3835 assi ((( attr rmsd < 0.739) and (attr rmsd > 0.639)) and bondedto(attr rmsd < 26.237 and attr rmsd > 25.237)) ( attr rmsd < 0.886 and attr rmsd > 0.786) 6 6 0 peak 21979 ppm1 0.689 ppm2 0.836 volume 1.3835 assi ((( attr rmsd < 0.738) and (attr rmsd > 0.638)) and bondedto(attr rmsd < 73.736 and attr rmsd > 72.736)) ( attr rmsd < 0.747 and attr rmsd > 0.647) 6 6 0 peak 11980 ppm1 0.688 ppm2 0.697 volume 14.9786 assi ((( attr rmsd < 0.738) and (attr rmsd > 0.638)) and bondedto(attr rmsd < 26.216 and attr rmsd > 25.216)) ( attr rmsd < 0.747 and attr rmsd > 0.647) 6 6 0 peak 21980 ppm1 0.688 ppm2 0.697 volume 14.9786 assi ((( attr rmsd < 0.733) and (attr rmsd > 0.633)) and bondedto(attr rmsd < 73.764 and attr rmsd > 72.764)) ( attr rmsd < 4.276 and attr rmsd > 4.176) 6 6 0 peak 11981 ppm1 0.683 ppm2 4.226 volume 0.2046 assi ((( attr rmsd < 0.733) and (attr rmsd > 0.633)) and bondedto(attr rmsd < 26.244 and attr rmsd > 25.244)) ( attr rmsd < 4.276 and attr rmsd > 4.176) 6 6 0 peak 21981 ppm1 0.683 ppm2 4.226 volume 0.2046 assi ((( attr rmsd < 4.679) and (attr rmsd > 4.579)) and bondedto(attr rmsd < 50.093 and attr rmsd > 49.093)) ( attr rmsd < 0.876 and attr rmsd > 0.776) 6 6 0 peak 1982 ppm1 4.629 ppm2 0.826 volume 0.1497 assi ((( attr rmsd < 4.607) and (attr rmsd > 4.507)) and bondedto(attr rmsd < 50.050 and attr rmsd > 49.050)) ( attr rmsd < 0.862 and attr rmsd > 0.762) 6 6 0 peak 1983 ppm1 4.557 ppm2 0.812 volume 0.1631 assi ((( attr rmsd < 4.574) and (attr rmsd > 4.474)) and bondedto(attr rmsd < 50.069 and attr rmsd > 49.069)) ( attr rmsd < 0.872 and attr rmsd > 0.772) 6 6 0 peak 1984 ppm1 4.524 ppm2 0.822 volume 0.1568 assi ((( attr rmsd < 4.522) and (attr rmsd > 4.422)) and bondedto(attr rmsd < 50.105 and attr rmsd > 49.105)) ( attr rmsd < 0.867 and attr rmsd > 0.767) 6 6 0 peak 1985 ppm1 4.472 ppm2 0.817 volume 0.1592 assi ((( attr rmsd < 1.759) and (attr rmsd > 1.659)) and bondedto(attr rmsd < 50.036 and attr rmsd > 49.036)) ( attr rmsd < 0.747 and attr rmsd > 0.647) 6 6 0 peak 1986 ppm1 1.709 ppm2 0.697 volume 0.1679 assi ((( attr rmsd < 1.538) and (attr rmsd > 1.438)) and bondedto(attr rmsd < 50.001 and attr rmsd > 49.001)) ( attr rmsd < 1.445 and attr rmsd > 1.345) 6 6 0 peak 1987 ppm1 1.488 ppm2 1.395 volume 0.6745 assi ((( attr rmsd < 1.541) and (attr rmsd > 1.441)) and bondedto(attr rmsd < 50.079 and attr rmsd > 49.079)) ( attr rmsd < 0.721 and attr rmsd > 0.621) 6 6 0 peak 1988 ppm1 1.491 ppm2 0.671 volume 0.1729 assi ((( attr rmsd < 1.447) and (attr rmsd > 1.347)) and bondedto(attr rmsd < 50.075 and attr rmsd > 49.075)) ( attr rmsd < 1.539 and attr rmsd > 1.439) 6 6 0 peak 1989 ppm1 1.397 ppm2 1.489 volume 0.3800 assi ((( attr rmsd < 1.173) and (attr rmsd > 1.073)) and bondedto(attr rmsd < 50.041 and attr rmsd > 49.041)) ( attr rmsd < 0.866 and attr rmsd > 0.766) 6 6 0 peak 1990 ppm1 1.123 ppm2 0.816 volume 0.1443 assi ((( attr rmsd < 1.092) and (attr rmsd > 0.992)) and bondedto(attr rmsd < 50.024 and attr rmsd > 49.024)) ( attr rmsd < 0.864 and attr rmsd > 0.764) 6 6 0 peak 1991 ppm1 1.042 ppm2 0.814 volume 0.1464 assi ((( attr rmsd < 1.013) and (attr rmsd > 0.913)) and bondedto(attr rmsd < 50.126 and attr rmsd > 49.126)) ( attr rmsd < 1.293 and attr rmsd > 1.193) 6 6 0 peak 1992 ppm1 0.963 ppm2 1.243 volume 0.1673 assi ((( attr rmsd < 0.871) and (attr rmsd > 0.771)) and bondedto(attr rmsd < 49.999 and attr rmsd > 48.999)) ( attr rmsd < 0.769 and attr rmsd > 0.669) 6 6 0 peak 1993 ppm1 0.821 ppm2 0.719 volume 1.6912 assi ((( attr rmsd < 0.857) and (attr rmsd > 0.757)) and bondedto(attr rmsd < 49.982 and attr rmsd > 48.982)) ( attr rmsd < 0.618 and attr rmsd > 0.518) 6 6 0 peak 1994 ppm1 0.807 ppm2 0.568 volume 1.1417 assi ((( attr rmsd < 0.734) and (attr rmsd > 0.634)) and bondedto(attr rmsd < 49.961 and attr rmsd > 48.961)) ( attr rmsd < 0.554 and attr rmsd > 0.454) 6 6 0 peak 1995 ppm1 0.684 ppm2 0.504 volume 0.8666 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 73.690 and attr rmsd > 72.690)) ( attr rmsd < 0.862 and attr rmsd > 0.762) 6 6 0 peak 11996 ppm1 4.848 ppm2 0.812 volume 0.5329 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 26.170 and attr rmsd > 25.170)) ( attr rmsd < 0.862 and attr rmsd > 0.762) 6 6 0 peak 21996 ppm1 4.848 ppm2 0.812 volume 0.5329 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 73.703 and attr rmsd > 72.703)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 11997 ppm1 1.716 ppm2 3.016 volume 0.2428 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 26.183 and attr rmsd > 25.183)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 21997 ppm1 1.716 ppm2 3.016 volume 0.2428 assi ((( attr rmsd < 1.767) and (attr rmsd > 1.667)) and bondedto(attr rmsd < 73.691 and attr rmsd > 72.691)) ( attr rmsd < 1.976 and attr rmsd > 1.876) 6 6 0 peak 11998 ppm1 1.717 ppm2 1.926 volume 0.5798 assi ((( attr rmsd < 1.767) and (attr rmsd > 1.667)) and bondedto(attr rmsd < 26.171 and attr rmsd > 25.171)) ( attr rmsd < 1.976 and attr rmsd > 1.876) 6 6 0 peak 21998 ppm1 1.717 ppm2 1.926 volume 0.5798 assi ((( attr rmsd < 1.764) and (attr rmsd > 1.664)) and bondedto(attr rmsd < 73.690 and attr rmsd > 72.690)) ( attr rmsd < 1.769 and attr rmsd > 1.669) 6 6 0 peak 11999 ppm1 1.714 ppm2 1.719 volume 5.0550 assi ((( attr rmsd < 1.764) and (attr rmsd > 1.664)) and bondedto(attr rmsd < 26.170 and attr rmsd > 25.170)) ( attr rmsd < 1.769 and attr rmsd > 1.669) 6 6 0 peak 21999 ppm1 1.714 ppm2 1.719 volume 5.0550 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 73.687 and attr rmsd > 72.687)) ( attr rmsd < 1.556 and attr rmsd > 1.456) 6 6 0 peak 12000 ppm1 1.716 ppm2 1.506 volume 1.4730 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 26.167 and attr rmsd > 25.167)) ( attr rmsd < 1.556 and attr rmsd > 1.456) 6 6 0 peak 22000 ppm1 1.716 ppm2 1.506 volume 1.4730 assi ((( attr rmsd < 1.712) and (attr rmsd > 1.612)) and bondedto(attr rmsd < 73.562 and attr rmsd > 72.562)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 12001 ppm1 1.662 ppm2 4.776 volume 0.2160 assi ((( attr rmsd < 1.712) and (attr rmsd > 1.612)) and bondedto(attr rmsd < 26.042 and attr rmsd > 25.042)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 22001 ppm1 1.662 ppm2 4.776 volume 0.2160 assi ((( attr rmsd < 1.706) and (attr rmsd > 1.606)) and bondedto(attr rmsd < 73.666 and attr rmsd > 72.666)) ( attr rmsd < 5.000 and attr rmsd > 4.900) 6 6 0 peak 12002 ppm1 1.656 ppm2 4.950 volume 0.3263 assi ((( attr rmsd < 1.706) and (attr rmsd > 1.606)) and bondedto(attr rmsd < 26.146 and attr rmsd > 25.146)) ( attr rmsd < 5.000 and attr rmsd > 4.900) 6 6 0 peak 22002 ppm1 1.656 ppm2 4.950 volume 0.3263 assi ((( attr rmsd < 1.701) and (attr rmsd > 1.601)) and bondedto(attr rmsd < 73.565 and attr rmsd > 72.565)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 12003 ppm1 1.651 ppm2 4.617 volume 0.1702 assi ((( attr rmsd < 1.701) and (attr rmsd > 1.601)) and bondedto(attr rmsd < 26.045 and attr rmsd > 25.045)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 22003 ppm1 1.651 ppm2 4.617 volume 0.1702 assi ((( attr rmsd < 1.695) and (attr rmsd > 1.595)) and bondedto(attr rmsd < 73.622 and attr rmsd > 72.622)) ( attr rmsd < 3.113 and attr rmsd > 3.013) 6 6 0 peak 12004 ppm1 1.645 ppm2 3.063 volume 0.3118 assi ((( attr rmsd < 1.695) and (attr rmsd > 1.595)) and bondedto(attr rmsd < 26.102 and attr rmsd > 25.102)) ( attr rmsd < 3.113 and attr rmsd > 3.013) 6 6 0 peak 22004 ppm1 1.645 ppm2 3.063 volume 0.3118 assi ((( attr rmsd < 1.700) and (attr rmsd > 1.600)) and bondedto(attr rmsd < 73.624 and attr rmsd > 72.624)) ( attr rmsd < 2.058 and attr rmsd > 1.958) 6 6 0 peak 12005 ppm1 1.650 ppm2 2.008 volume 0.6496 assi ((( attr rmsd < 1.700) and (attr rmsd > 1.600)) and bondedto(attr rmsd < 26.104 and attr rmsd > 25.104)) ( attr rmsd < 2.058 and attr rmsd > 1.958) 6 6 0 peak 22005 ppm1 1.650 ppm2 2.008 volume 0.6496 assi ((( attr rmsd < 1.706) and (attr rmsd > 1.606)) and bondedto(attr rmsd < 73.620 and attr rmsd > 72.620)) ( attr rmsd < 1.722 and attr rmsd > 1.622) 6 6 0 peak 12006 ppm1 1.656 ppm2 1.672 volume 4.1104 assi ((( attr rmsd < 1.706) and (attr rmsd > 1.606)) and bondedto(attr rmsd < 26.100 and attr rmsd > 25.100)) ( attr rmsd < 1.722 and attr rmsd > 1.622) 6 6 0 peak 22006 ppm1 1.656 ppm2 1.672 volume 4.1104 assi ((( attr rmsd < 1.548) and (attr rmsd > 1.448)) and bondedto(attr rmsd < 73.557 and attr rmsd > 72.557)) ( attr rmsd < 1.953 and attr rmsd > 1.853) 6 6 0 peak 12007 ppm1 1.498 ppm2 1.903 volume 0.6716 assi ((( attr rmsd < 1.548) and (attr rmsd > 1.448)) and bondedto(attr rmsd < 26.037 and attr rmsd > 25.037)) ( attr rmsd < 1.953 and attr rmsd > 1.853) 6 6 0 peak 22007 ppm1 1.498 ppm2 1.903 volume 0.6716 assi ((( attr rmsd < 0.974) and (attr rmsd > 0.874)) and bondedto(attr rmsd < 73.601 and attr rmsd > 72.601)) ( attr rmsd < 1.665 and attr rmsd > 1.565) 6 6 0 peak 12008 ppm1 0.924 ppm2 1.615 volume 0.6314 assi ((( attr rmsd < 0.974) and (attr rmsd > 0.874)) and bondedto(attr rmsd < 26.081 and attr rmsd > 25.081)) ( attr rmsd < 1.665 and attr rmsd > 1.565) 6 6 0 peak 22008 ppm1 0.924 ppm2 1.615 volume 0.6314 assi ((( attr rmsd < 0.863) and (attr rmsd > 0.763)) and bondedto(attr rmsd < 73.660 and attr rmsd > 72.660)) ( attr rmsd < 3.968 and attr rmsd > 3.868) 6 6 0 peak 12009 ppm1 0.813 ppm2 3.918 volume 0.3297 assi ((( attr rmsd < 0.863) and (attr rmsd > 0.763)) and bondedto(attr rmsd < 26.140 and attr rmsd > 25.140)) ( attr rmsd < 3.968 and attr rmsd > 3.868) 6 6 0 peak 22009 ppm1 0.813 ppm2 3.918 volume 0.3297 assi ((( attr rmsd < 0.870) and (attr rmsd > 0.770)) and bondedto(attr rmsd < 73.672 and attr rmsd > 72.672)) ( attr rmsd < 3.746 and attr rmsd > 3.646) 6 6 0 peak 12010 ppm1 0.820 ppm2 3.696 volume 0.1853 assi ((( attr rmsd < 0.870) and (attr rmsd > 0.770)) and bondedto(attr rmsd < 26.152 and attr rmsd > 25.152)) ( attr rmsd < 3.746 and attr rmsd > 3.646) 6 6 0 peak 22010 ppm1 0.820 ppm2 3.696 volume 0.1853 assi ((( attr rmsd < 0.822) and (attr rmsd > 0.722)) and bondedto(attr rmsd < 73.613 and attr rmsd > 72.613)) ( attr rmsd < 4.688 and attr rmsd > 4.588) 6 6 0 peak 12011 ppm1 0.772 ppm2 4.638 volume 0.2078 assi ((( attr rmsd < 0.822) and (attr rmsd > 0.722)) and bondedto(attr rmsd < 26.093 and attr rmsd > 25.093)) ( attr rmsd < 4.688 and attr rmsd > 4.588) 6 6 0 peak 22011 ppm1 0.772 ppm2 4.638 volume 0.2078 assi ((( attr rmsd < 0.827) and (attr rmsd > 0.727)) and bondedto(attr rmsd < 73.631 and attr rmsd > 72.631)) ( attr rmsd < 4.155 and attr rmsd > 4.055) 6 6 0 peak 12012 ppm1 0.777 ppm2 4.105 volume 0.3437 assi ((( attr rmsd < 0.827) and (attr rmsd > 0.727)) and bondedto(attr rmsd < 26.111 and attr rmsd > 25.111)) ( attr rmsd < 4.155 and attr rmsd > 4.055) 6 6 0 peak 22012 ppm1 0.777 ppm2 4.105 volume 0.3437 assi ((( attr rmsd < 0.820) and (attr rmsd > 0.720)) and bondedto(attr rmsd < 73.593 and attr rmsd > 72.593)) ( attr rmsd < 2.790 and attr rmsd > 2.690) 6 6 0 peak 12013 ppm1 0.770 ppm2 2.740 volume 0.2173 assi ((( attr rmsd < 0.820) and (attr rmsd > 0.720)) and bondedto(attr rmsd < 26.073 and attr rmsd > 25.073)) ( attr rmsd < 2.790 and attr rmsd > 2.690) 6 6 0 peak 22013 ppm1 0.770 ppm2 2.740 volume 0.2173 assi ((( attr rmsd < 0.824) and (attr rmsd > 0.724)) and bondedto(attr rmsd < 73.624 and attr rmsd > 72.624)) ( attr rmsd < 2.634 and attr rmsd > 2.534) 6 6 0 peak 12014 ppm1 0.774 ppm2 2.584 volume 0.2112 assi ((( attr rmsd < 0.824) and (attr rmsd > 0.724)) and bondedto(attr rmsd < 26.104 and attr rmsd > 25.104)) ( attr rmsd < 2.634 and attr rmsd > 2.534) 6 6 0 peak 22014 ppm1 0.774 ppm2 2.584 volume 0.2112 assi ((( attr rmsd < 0.806) and (attr rmsd > 0.706)) and bondedto(attr rmsd < 73.566 and attr rmsd > 72.566)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 12015 ppm1 0.756 ppm2 4.775 volume 0.1474 assi ((( attr rmsd < 0.806) and (attr rmsd > 0.706)) and bondedto(attr rmsd < 26.046 and attr rmsd > 25.046)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 22015 ppm1 0.756 ppm2 4.775 volume 0.1474 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 49.876 and attr rmsd > 48.876)) ( attr rmsd < 4.781 and attr rmsd > 4.681) 6 6 0 peak 2016 ppm1 4.849 ppm2 4.731 volume 0.2762 assi ((( attr rmsd < 4.879) and (attr rmsd > 4.779)) and bondedto(attr rmsd < 49.767 and attr rmsd > 48.767)) ( attr rmsd < 1.749 and attr rmsd > 1.649) 6 6 0 peak 2017 ppm1 4.829 ppm2 1.699 volume 0.1485 assi ((( attr rmsd < 4.745) and (attr rmsd > 4.645)) and bondedto(attr rmsd < 49.788 and attr rmsd > 48.788)) ( attr rmsd < 1.764 and attr rmsd > 1.664) 6 6 0 peak 2018 ppm1 4.695 ppm2 1.714 volume 0.3053 assi ((( attr rmsd < 4.696) and (attr rmsd > 4.596)) and bondedto(attr rmsd < 49.859 and attr rmsd > 48.859)) ( attr rmsd < 1.767 and attr rmsd > 1.667) 6 6 0 peak 2019 ppm1 4.646 ppm2 1.717 volume 0.1654 assi ((( attr rmsd < 4.671) and (attr rmsd > 4.571)) and bondedto(attr rmsd < 49.783 and attr rmsd > 48.783)) ( attr rmsd < 1.754 and attr rmsd > 1.654) 6 6 0 peak 2020 ppm1 4.621 ppm2 1.704 volume 0.1622 assi ((( attr rmsd < 1.849) and (attr rmsd > 1.749)) and bondedto(attr rmsd < 49.837 and attr rmsd > 48.837)) ( attr rmsd < 1.813 and attr rmsd > 1.713) 6 6 0 peak 2021 ppm1 1.799 ppm2 1.763 volume 0.2007 assi ((( attr rmsd < 1.792) and (attr rmsd > 1.692)) and bondedto(attr rmsd < 49.786 and attr rmsd > 48.786)) ( attr rmsd < 0.859 and attr rmsd > 0.759) 6 6 0 peak 2022 ppm1 1.742 ppm2 0.809 volume 0.4993 assi ((( attr rmsd < 1.773) and (attr rmsd > 1.673)) and bondedto(attr rmsd < 49.849 and attr rmsd > 48.849)) ( attr rmsd < 1.434 and attr rmsd > 1.334) 6 6 0 peak 2023 ppm1 1.723 ppm2 1.384 volume 0.3556 assi ((( attr rmsd < 1.722) and (attr rmsd > 1.622)) and bondedto(attr rmsd < 49.927 and attr rmsd > 48.927)) ( attr rmsd < 1.420 and attr rmsd > 1.320) 6 6 0 peak 2024 ppm1 1.672 ppm2 1.370 volume 0.2065 assi ((( attr rmsd < 1.251) and (attr rmsd > 1.151)) and bondedto(attr rmsd < 49.825 and attr rmsd > 48.825)) ( attr rmsd < 1.262 and attr rmsd > 1.162) 6 6 0 peak 2025 ppm1 1.201 ppm2 1.212 volume 0.2474 assi ((( attr rmsd < 0.836) and (attr rmsd > 0.736)) and bondedto(attr rmsd < 49.891 and attr rmsd > 48.891)) ( attr rmsd < 0.734 and attr rmsd > 0.634) 6 6 0 peak 2026 ppm1 0.786 ppm2 0.684 volume 0.9578 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 73.483 and attr rmsd > 72.483)) ( attr rmsd < 4.931 and attr rmsd > 4.831) 6 6 0 peak 12027 ppm1 4.852 ppm2 4.881 volume 0.1490 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 25.963 and attr rmsd > 24.963)) ( attr rmsd < 4.931 and attr rmsd > 4.831) 6 6 0 peak 22027 ppm1 4.852 ppm2 4.881 volume 0.1490 assi ((( attr rmsd < 4.741) and (attr rmsd > 4.641)) and bondedto(attr rmsd < 73.522 and attr rmsd > 72.522)) ( attr rmsd < 4.781 and attr rmsd > 4.681) 6 6 0 peak 12028 ppm1 4.691 ppm2 4.731 volume 0.5064 assi ((( attr rmsd < 4.741) and (attr rmsd > 4.641)) and bondedto(attr rmsd < 26.002 and attr rmsd > 25.002)) ( attr rmsd < 4.781 and attr rmsd > 4.681) 6 6 0 peak 22028 ppm1 4.691 ppm2 4.731 volume 0.5064 assi ((( attr rmsd < 3.985) and (attr rmsd > 3.885)) and bondedto(attr rmsd < 73.418 and attr rmsd > 72.418)) ( attr rmsd < 3.991 and attr rmsd > 3.891) 6 6 0 peak 12029 ppm1 3.935 ppm2 3.941 volume 0.6553 assi ((( attr rmsd < 3.985) and (attr rmsd > 3.885)) and bondedto(attr rmsd < 25.898 and attr rmsd > 24.898)) ( attr rmsd < 3.991 and attr rmsd > 3.891) 6 6 0 peak 22029 ppm1 3.935 ppm2 3.941 volume 0.6553 assi ((( attr rmsd < 3.964) and (attr rmsd > 3.864)) and bondedto(attr rmsd < 73.414 and attr rmsd > 72.414)) ( attr rmsd < 3.967 and attr rmsd > 3.867) 6 6 0 peak 12030 ppm1 3.914 ppm2 3.917 volume 0.6622 assi ((( attr rmsd < 3.964) and (attr rmsd > 3.864)) and bondedto(attr rmsd < 25.894 and attr rmsd > 24.894)) ( attr rmsd < 3.967 and attr rmsd > 3.867) 6 6 0 peak 22030 ppm1 3.914 ppm2 3.917 volume 0.6622 assi ((( attr rmsd < 3.623) and (attr rmsd > 3.523)) and bondedto(attr rmsd < 73.432 and attr rmsd > 72.432)) ( attr rmsd < 3.760 and attr rmsd > 3.660) 6 6 0 peak 12031 ppm1 3.573 ppm2 3.710 volume 0.1734 assi ((( attr rmsd < 3.623) and (attr rmsd > 3.523)) and bondedto(attr rmsd < 25.912 and attr rmsd > 24.912)) ( attr rmsd < 3.760 and attr rmsd > 3.660) 6 6 0 peak 22031 ppm1 3.573 ppm2 3.710 volume 0.1734 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 73.398 and attr rmsd > 72.398)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 12032 ppm1 3.582 ppm2 3.594 volume 0.2421 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 25.878 and attr rmsd > 24.878)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 22032 ppm1 3.582 ppm2 3.594 volume 0.2421 assi ((( attr rmsd < 3.245) and (attr rmsd > 3.145)) and bondedto(attr rmsd < 73.349 and attr rmsd > 72.349)) ( attr rmsd < 3.242 and attr rmsd > 3.142) 6 6 0 peak 12033 ppm1 3.195 ppm2 3.192 volume 0.2482 assi ((( attr rmsd < 3.245) and (attr rmsd > 3.145)) and bondedto(attr rmsd < 25.829 and attr rmsd > 24.829)) ( attr rmsd < 3.242 and attr rmsd > 3.142) 6 6 0 peak 22033 ppm1 3.195 ppm2 3.192 volume 0.2482 assi ((( attr rmsd < 1.618) and (attr rmsd > 1.518)) and bondedto(attr rmsd < 73.492 and attr rmsd > 72.492)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 12034 ppm1 1.568 ppm2 4.777 volume 0.2175 assi ((( attr rmsd < 1.618) and (attr rmsd > 1.518)) and bondedto(attr rmsd < 25.972 and attr rmsd > 24.972)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 22034 ppm1 1.568 ppm2 4.777 volume 0.2175 assi ((( attr rmsd < 1.608) and (attr rmsd > 1.508)) and bondedto(attr rmsd < 73.437 and attr rmsd > 72.437)) ( attr rmsd < 5.681 and attr rmsd > 5.581) 6 6 0 peak 12035 ppm1 1.558 ppm2 5.631 volume 0.1589 assi ((( attr rmsd < 1.608) and (attr rmsd > 1.508)) and bondedto(attr rmsd < 25.917 and attr rmsd > 24.917)) ( attr rmsd < 5.681 and attr rmsd > 5.581) 6 6 0 peak 22035 ppm1 1.558 ppm2 5.631 volume 0.1589 assi ((( attr rmsd < 1.603) and (attr rmsd > 1.503)) and bondedto(attr rmsd < 73.382 and attr rmsd > 72.382)) ( attr rmsd < 1.935 and attr rmsd > 1.835) 6 6 0 peak 12036 ppm1 1.553 ppm2 1.885 volume 0.4663 assi ((( attr rmsd < 1.603) and (attr rmsd > 1.503)) and bondedto(attr rmsd < 25.862 and attr rmsd > 24.862)) ( attr rmsd < 1.935 and attr rmsd > 1.835) 6 6 0 peak 22036 ppm1 1.553 ppm2 1.885 volume 0.4663 assi ((( attr rmsd < 1.510) and (attr rmsd > 1.410)) and bondedto(attr rmsd < 73.399 and attr rmsd > 72.399)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 12037 ppm1 1.460 ppm2 4.775 volume 0.2264 assi ((( attr rmsd < 1.510) and (attr rmsd > 1.410)) and bondedto(attr rmsd < 25.879 and attr rmsd > 24.879)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 22037 ppm1 1.460 ppm2 4.775 volume 0.2264 assi ((( attr rmsd < 1.416) and (attr rmsd > 1.316)) and bondedto(attr rmsd < 73.490 and attr rmsd > 72.490)) ( attr rmsd < 5.072 and attr rmsd > 4.972) 6 6 0 peak 12038 ppm1 1.366 ppm2 5.022 volume 0.2639 assi ((( attr rmsd < 1.416) and (attr rmsd > 1.316)) and bondedto(attr rmsd < 25.970 and attr rmsd > 24.970)) ( attr rmsd < 5.072 and attr rmsd > 4.972) 6 6 0 peak 22038 ppm1 1.366 ppm2 5.022 volume 0.2639 assi ((( attr rmsd < 1.414) and (attr rmsd > 1.314)) and bondedto(attr rmsd < 73.442 and attr rmsd > 72.442)) ( attr rmsd < 4.818 and attr rmsd > 4.718) 6 6 0 peak 12039 ppm1 1.364 ppm2 4.768 volume 0.2268 assi ((( attr rmsd < 1.414) and (attr rmsd > 1.314)) and bondedto(attr rmsd < 25.922 and attr rmsd > 24.922)) ( attr rmsd < 4.818 and attr rmsd > 4.718) 6 6 0 peak 22039 ppm1 1.364 ppm2 4.768 volume 0.2268 assi ((( attr rmsd < 1.415) and (attr rmsd > 1.315)) and bondedto(attr rmsd < 73.442 and attr rmsd > 72.442)) ( attr rmsd < 2.974 and attr rmsd > 2.874) 6 6 0 peak 12040 ppm1 1.365 ppm2 2.924 volume 0.3401 assi ((( attr rmsd < 1.415) and (attr rmsd > 1.315)) and bondedto(attr rmsd < 25.922 and attr rmsd > 24.922)) ( attr rmsd < 2.974 and attr rmsd > 2.874) 6 6 0 peak 22040 ppm1 1.365 ppm2 2.924 volume 0.3401 assi ((( attr rmsd < 1.420) and (attr rmsd > 1.320)) and bondedto(attr rmsd < 73.451 and attr rmsd > 72.451)) ( attr rmsd < 2.013 and attr rmsd > 1.913) 6 6 0 peak 12041 ppm1 1.370 ppm2 1.963 volume 0.1581 assi ((( attr rmsd < 1.420) and (attr rmsd > 1.320)) and bondedto(attr rmsd < 25.931 and attr rmsd > 24.931)) ( attr rmsd < 2.013 and attr rmsd > 1.913) 6 6 0 peak 22041 ppm1 1.370 ppm2 1.963 volume 0.1581 assi ((( attr rmsd < 1.416) and (attr rmsd > 1.316)) and bondedto(attr rmsd < 73.417 and attr rmsd > 72.417)) ( attr rmsd < 1.690 and attr rmsd > 1.590) 6 6 0 peak 12042 ppm1 1.366 ppm2 1.640 volume 3.2145 assi ((( attr rmsd < 1.416) and (attr rmsd > 1.316)) and bondedto(attr rmsd < 25.897 and attr rmsd > 24.897)) ( attr rmsd < 1.690 and attr rmsd > 1.590) 6 6 0 peak 22042 ppm1 1.366 ppm2 1.640 volume 3.2145 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 49.701 and attr rmsd > 48.701)) ( attr rmsd < 3.865 and attr rmsd > 3.765) 6 6 0 peak 2043 ppm1 3.812 ppm2 3.815 volume 0.3105 assi ((( attr rmsd < 3.864) and (attr rmsd > 3.764)) and bondedto(attr rmsd < 49.666 and attr rmsd > 48.666)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 2044 ppm1 3.814 ppm2 3.595 volume 0.1605 assi ((( attr rmsd < 0.968) and (attr rmsd > 0.868)) and bondedto(attr rmsd < 73.233 and attr rmsd > 72.233)) ( attr rmsd < 1.905 and attr rmsd > 1.805) 6 6 0 peak 12045 ppm1 0.918 ppm2 1.855 volume 0.1772 assi ((( attr rmsd < 0.968) and (attr rmsd > 0.868)) and bondedto(attr rmsd < 25.713 and attr rmsd > 24.713)) ( attr rmsd < 1.905 and attr rmsd > 1.805) 6 6 0 peak 22045 ppm1 0.918 ppm2 1.855 volume 0.1772 assi ((( attr rmsd < 0.957) and (attr rmsd > 0.857)) and bondedto(attr rmsd < 73.279 and attr rmsd > 72.279)) ( attr rmsd < 1.761 and attr rmsd > 1.661) 6 6 0 peak 12046 ppm1 0.907 ppm2 1.711 volume 0.6997 assi ((( attr rmsd < 0.957) and (attr rmsd > 0.857)) and bondedto(attr rmsd < 25.759 and attr rmsd > 24.759)) ( attr rmsd < 1.761 and attr rmsd > 1.661) 6 6 0 peak 22046 ppm1 0.907 ppm2 1.711 volume 0.6997 assi ((( attr rmsd < 3.775) and (attr rmsd > 3.675)) and bondedto(attr rmsd < 49.507 and attr rmsd > 48.507)) ( attr rmsd < 3.772 and attr rmsd > 3.672) 6 6 0 peak 2047 ppm1 3.725 ppm2 3.722 volume 0.2983 assi ((( attr rmsd < 3.131) and (attr rmsd > 3.031)) and bondedto(attr rmsd < 72.986 and attr rmsd > 71.986)) ( attr rmsd < 3.131 and attr rmsd > 3.031) 6 6 0 peak 12048 ppm1 3.081 ppm2 3.081 volume 0.2372 assi ((( attr rmsd < 3.131) and (attr rmsd > 3.031)) and bondedto(attr rmsd < 25.466 and attr rmsd > 24.466)) ( attr rmsd < 3.131 and attr rmsd > 3.031) 6 6 0 peak 22048 ppm1 3.081 ppm2 3.081 volume 0.2372 assi ((( attr rmsd < 1.586) and (attr rmsd > 1.486)) and bondedto(attr rmsd < 73.118 and attr rmsd > 72.118)) ( attr rmsd < 3.065 and attr rmsd > 2.965) 6 6 0 peak 12049 ppm1 1.536 ppm2 3.015 volume 0.2854 assi ((( attr rmsd < 1.586) and (attr rmsd > 1.486)) and bondedto(attr rmsd < 25.598 and attr rmsd > 24.598)) ( attr rmsd < 3.065 and attr rmsd > 2.965) 6 6 0 peak 22049 ppm1 1.536 ppm2 3.015 volume 0.2854 assi ((( attr rmsd < 1.516) and (attr rmsd > 1.416)) and bondedto(attr rmsd < 73.019 and attr rmsd > 72.019)) ( attr rmsd < 3.062 and attr rmsd > 2.962) 6 6 0 peak 12050 ppm1 1.466 ppm2 3.012 volume 0.3755 assi ((( attr rmsd < 1.516) and (attr rmsd > 1.416)) and bondedto(attr rmsd < 25.499 and attr rmsd > 24.499)) ( attr rmsd < 3.062 and attr rmsd > 2.962) 6 6 0 peak 22050 ppm1 1.466 ppm2 3.012 volume 0.3755 assi ((( attr rmsd < 1.231) and (attr rmsd > 1.131)) and bondedto(attr rmsd < 73.107 and attr rmsd > 72.107)) ( attr rmsd < 1.232 and attr rmsd > 1.132) 6 6 0 peak 12051 ppm1 1.181 ppm2 1.182 volume 0.2258 assi ((( attr rmsd < 1.231) and (attr rmsd > 1.131)) and bondedto(attr rmsd < 25.587 and attr rmsd > 24.587)) ( attr rmsd < 1.232 and attr rmsd > 1.132) 6 6 0 peak 22051 ppm1 1.181 ppm2 1.182 volume 0.2258 assi ((( attr rmsd < 0.989) and (attr rmsd > 0.889)) and bondedto(attr rmsd < 73.007 and attr rmsd > 72.007)) ( attr rmsd < 1.962 and attr rmsd > 1.862) 6 6 0 peak 12052 ppm1 0.939 ppm2 1.912 volume 0.1694 assi ((( attr rmsd < 0.989) and (attr rmsd > 0.889)) and bondedto(attr rmsd < 25.487 and attr rmsd > 24.487)) ( attr rmsd < 1.962 and attr rmsd > 1.862) 6 6 0 peak 22052 ppm1 0.939 ppm2 1.912 volume 0.1694 assi ((( attr rmsd < 0.997) and (attr rmsd > 0.897)) and bondedto(attr rmsd < 73.066 and attr rmsd > 72.066)) ( attr rmsd < 1.143 and attr rmsd > 1.043) 6 6 0 peak 12053 ppm1 0.947 ppm2 1.093 volume 1.0302 assi ((( attr rmsd < 0.997) and (attr rmsd > 0.897)) and bondedto(attr rmsd < 25.546 and attr rmsd > 24.546)) ( attr rmsd < 1.143 and attr rmsd > 1.043) 6 6 0 peak 22053 ppm1 0.947 ppm2 1.093 volume 1.0302 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 73.084 and attr rmsd > 72.084)) ( attr rmsd < 4.405 and attr rmsd > 4.305) 6 6 0 peak 12054 ppm1 0.930 ppm2 4.355 volume 0.1525 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 25.564 and attr rmsd > 24.564)) ( attr rmsd < 4.405 and attr rmsd > 4.305) 6 6 0 peak 22054 ppm1 0.930 ppm2 4.355 volume 0.1525 assi ((( attr rmsd < 0.984) and (attr rmsd > 0.884)) and bondedto(attr rmsd < 73.113 and attr rmsd > 72.113)) ( attr rmsd < 1.413 and attr rmsd > 1.313) 6 6 0 peak 12055 ppm1 0.934 ppm2 1.363 volume 0.1628 assi ((( attr rmsd < 0.984) and (attr rmsd > 0.884)) and bondedto(attr rmsd < 25.593 and attr rmsd > 24.593)) ( attr rmsd < 1.413 and attr rmsd > 1.313) 6 6 0 peak 22055 ppm1 0.934 ppm2 1.363 volume 0.1628 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 73.126 and attr rmsd > 72.126)) ( attr rmsd < 1.337 and attr rmsd > 1.237) 6 6 0 peak 12056 ppm1 0.931 ppm2 1.287 volume 0.1627 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 25.606 and attr rmsd > 24.606)) ( attr rmsd < 1.337 and attr rmsd > 1.237) 6 6 0 peak 22056 ppm1 0.931 ppm2 1.287 volume 0.1627 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 73.119 and attr rmsd > 72.119)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 12057 ppm1 0.930 ppm2 0.934 volume 95.3502 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 25.599 and attr rmsd > 24.599)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 22057 ppm1 0.930 ppm2 0.934 volume 95.3502 assi ((( attr rmsd < 0.964) and (attr rmsd > 0.864)) and bondedto(attr rmsd < 73.123 and attr rmsd > 72.123)) ( attr rmsd < 1.107 and attr rmsd > 1.007) 6 6 0 peak 12058 ppm1 0.914 ppm2 1.057 volume 1.3886 assi ((( attr rmsd < 0.964) and (attr rmsd > 0.864)) and bondedto(attr rmsd < 25.603 and attr rmsd > 24.603)) ( attr rmsd < 1.107 and attr rmsd > 1.007) 6 6 0 peak 22058 ppm1 0.914 ppm2 1.057 volume 1.3886 assi ((( attr rmsd < 0.943) and (attr rmsd > 0.843)) and bondedto(attr rmsd < 73.060 and attr rmsd > 72.060)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 12059 ppm1 0.893 ppm2 4.773 volume 0.1947 assi ((( attr rmsd < 0.943) and (attr rmsd > 0.843)) and bondedto(attr rmsd < 25.540 and attr rmsd > 24.540)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 22059 ppm1 0.893 ppm2 4.773 volume 0.1947 assi ((( attr rmsd < 1.683) and (attr rmsd > 1.583)) and bondedto(attr rmsd < 49.375 and attr rmsd > 48.375)) ( attr rmsd < 0.982 and attr rmsd > 0.882) 6 6 0 peak 2060 ppm1 1.633 ppm2 0.932 volume 1.1542 assi ((( attr rmsd < 1.528) and (attr rmsd > 1.428)) and bondedto(attr rmsd < 49.262 and attr rmsd > 48.262)) ( attr rmsd < 0.988 and attr rmsd > 0.888) 6 6 0 peak 2061 ppm1 1.478 ppm2 0.938 volume 0.7009 assi ((( attr rmsd < 4.113) and (attr rmsd > 4.013)) and bondedto(attr rmsd < 72.947 and attr rmsd > 71.947)) ( attr rmsd < 4.119 and attr rmsd > 4.019) 6 6 0 peak 12062 ppm1 4.063 ppm2 4.069 volume 0.6548 assi ((( attr rmsd < 4.113) and (attr rmsd > 4.013)) and bondedto(attr rmsd < 25.427 and attr rmsd > 24.427)) ( attr rmsd < 4.119 and attr rmsd > 4.019) 6 6 0 peak 22062 ppm1 4.063 ppm2 4.069 volume 0.6548 assi ((( attr rmsd < 3.082) and (attr rmsd > 2.982)) and bondedto(attr rmsd < 72.823 and attr rmsd > 71.823)) ( attr rmsd < 3.224 and attr rmsd > 3.124) 6 6 0 peak 12063 ppm1 3.032 ppm2 3.174 volume 0.1520 assi ((( attr rmsd < 3.082) and (attr rmsd > 2.982)) and bondedto(attr rmsd < 25.303 and attr rmsd > 24.303)) ( attr rmsd < 3.224 and attr rmsd > 3.124) 6 6 0 peak 22063 ppm1 3.032 ppm2 3.174 volume 0.1520 assi ((( attr rmsd < 3.082) and (attr rmsd > 2.982)) and bondedto(attr rmsd < 72.961 and attr rmsd > 71.961)) ( attr rmsd < 3.084 and attr rmsd > 2.984) 6 6 0 peak 12064 ppm1 3.032 ppm2 3.034 volume 0.4437 assi ((( attr rmsd < 3.082) and (attr rmsd > 2.982)) and bondedto(attr rmsd < 25.441 and attr rmsd > 24.441)) ( attr rmsd < 3.084 and attr rmsd > 2.984) 6 6 0 peak 22064 ppm1 3.032 ppm2 3.034 volume 0.4437 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 72.947 and attr rmsd > 71.947)) ( attr rmsd < 2.146 and attr rmsd > 2.046) 6 6 0 peak 12065 ppm1 2.093 ppm2 2.096 volume 0.8362 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 25.427 and attr rmsd > 24.427)) ( attr rmsd < 2.146 and attr rmsd > 2.046) 6 6 0 peak 22065 ppm1 2.093 ppm2 2.096 volume 0.8362 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 72.942 and attr rmsd > 71.942)) ( attr rmsd < 2.033 and attr rmsd > 1.933) 6 6 0 peak 12066 ppm1 1.980 ppm2 1.983 volume 0.3888 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 25.422 and attr rmsd > 24.422)) ( attr rmsd < 2.033 and attr rmsd > 1.933) 6 6 0 peak 22066 ppm1 1.980 ppm2 1.983 volume 0.3888 assi ((( attr rmsd < 1.905) and (attr rmsd > 1.805)) and bondedto(attr rmsd < 72.942 and attr rmsd > 71.942)) ( attr rmsd < 1.912 and attr rmsd > 1.812) 6 6 0 peak 12067 ppm1 1.855 ppm2 1.862 volume 0.2386 assi ((( attr rmsd < 1.905) and (attr rmsd > 1.805)) and bondedto(attr rmsd < 25.422 and attr rmsd > 24.422)) ( attr rmsd < 1.912 and attr rmsd > 1.812) 6 6 0 peak 22067 ppm1 1.855 ppm2 1.862 volume 0.2386 assi ((( attr rmsd < 1.781) and (attr rmsd > 1.681)) and bondedto(attr rmsd < 72.854 and attr rmsd > 71.854)) ( attr rmsd < 1.365 and attr rmsd > 1.265) 6 6 0 peak 12068 ppm1 1.731 ppm2 1.315 volume 0.4375 assi ((( attr rmsd < 1.781) and (attr rmsd > 1.681)) and bondedto(attr rmsd < 25.334 and attr rmsd > 24.334)) ( attr rmsd < 1.365 and attr rmsd > 1.265) 6 6 0 peak 22068 ppm1 1.731 ppm2 1.315 volume 0.4375 assi ((( attr rmsd < 1.787) and (attr rmsd > 1.687)) and bondedto(attr rmsd < 72.818 and attr rmsd > 71.818)) ( attr rmsd < 0.861 and attr rmsd > 0.761) 6 6 0 peak 12069 ppm1 1.737 ppm2 0.811 volume 0.2358 assi ((( attr rmsd < 1.787) and (attr rmsd > 1.687)) and bondedto(attr rmsd < 25.298 and attr rmsd > 24.298)) ( attr rmsd < 0.861 and attr rmsd > 0.761) 6 6 0 peak 22069 ppm1 1.737 ppm2 0.811 volume 0.2358 assi ((( attr rmsd < 1.729) and (attr rmsd > 1.629)) and bondedto(attr rmsd < 72.928 and attr rmsd > 71.928)) ( attr rmsd < 3.843 and attr rmsd > 3.743) 6 6 0 peak 12070 ppm1 1.679 ppm2 3.793 volume 0.1800 assi ((( attr rmsd < 1.729) and (attr rmsd > 1.629)) and bondedto(attr rmsd < 25.408 and attr rmsd > 24.408)) ( attr rmsd < 3.843 and attr rmsd > 3.743) 6 6 0 peak 22070 ppm1 1.679 ppm2 3.793 volume 0.1800 assi ((( attr rmsd < 1.725) and (attr rmsd > 1.625)) and bondedto(attr rmsd < 72.942 and attr rmsd > 71.942)) ( attr rmsd < 0.745 and attr rmsd > 0.645) 6 6 0 peak 12071 ppm1 1.675 ppm2 0.695 volume 0.4683 assi ((( attr rmsd < 1.725) and (attr rmsd > 1.625)) and bondedto(attr rmsd < 25.422 and attr rmsd > 24.422)) ( attr rmsd < 0.745 and attr rmsd > 0.645) 6 6 0 peak 22071 ppm1 1.675 ppm2 0.695 volume 0.4683 assi ((( attr rmsd < 1.721) and (attr rmsd > 1.621)) and bondedto(attr rmsd < 72.953 and attr rmsd > 71.953)) ( attr rmsd < 2.323 and attr rmsd > 2.223) 6 6 0 peak 12072 ppm1 1.671 ppm2 2.273 volume 0.1976 assi ((( attr rmsd < 1.721) and (attr rmsd > 1.621)) and bondedto(attr rmsd < 25.433 and attr rmsd > 24.433)) ( attr rmsd < 2.323 and attr rmsd > 2.223) 6 6 0 peak 22072 ppm1 1.671 ppm2 2.273 volume 0.1976 assi ((( attr rmsd < 1.706) and (attr rmsd > 1.606)) and bondedto(attr rmsd < 72.887 and attr rmsd > 71.887)) ( attr rmsd < 1.363 and attr rmsd > 1.263) 6 6 0 peak 12073 ppm1 1.656 ppm2 1.313 volume 0.8704 assi ((( attr rmsd < 1.706) and (attr rmsd > 1.606)) and bondedto(attr rmsd < 25.367 and attr rmsd > 24.367)) ( attr rmsd < 1.363 and attr rmsd > 1.263) 6 6 0 peak 22073 ppm1 1.656 ppm2 1.313 volume 0.8704 assi ((( attr rmsd < 1.530) and (attr rmsd > 1.430)) and bondedto(attr rmsd < 72.871 and attr rmsd > 71.871)) ( attr rmsd < 2.039 and attr rmsd > 1.939) 6 6 0 peak 12074 ppm1 1.480 ppm2 1.989 volume 0.5803 assi ((( attr rmsd < 1.530) and (attr rmsd > 1.430)) and bondedto(attr rmsd < 25.351 and attr rmsd > 24.351)) ( attr rmsd < 2.039 and attr rmsd > 1.939) 6 6 0 peak 22074 ppm1 1.480 ppm2 1.989 volume 0.5803 assi ((( attr rmsd < 1.516) and (attr rmsd > 1.416)) and bondedto(attr rmsd < 72.918 and attr rmsd > 71.918)) ( attr rmsd < 1.771 and attr rmsd > 1.671) 6 6 0 peak 12075 ppm1 1.466 ppm2 1.721 volume 4.6805 assi ((( attr rmsd < 1.516) and (attr rmsd > 1.416)) and bondedto(attr rmsd < 25.398 and attr rmsd > 24.398)) ( attr rmsd < 1.771 and attr rmsd > 1.671) 6 6 0 peak 22075 ppm1 1.466 ppm2 1.721 volume 4.6805 assi ((( attr rmsd < 1.516) and (attr rmsd > 1.416)) and bondedto(attr rmsd < 72.849 and attr rmsd > 71.849)) ( attr rmsd < 1.529 and attr rmsd > 1.429) 6 6 0 peak 12076 ppm1 1.466 ppm2 1.479 volume 13.8828 assi ((( attr rmsd < 1.516) and (attr rmsd > 1.416)) and bondedto(attr rmsd < 25.329 and attr rmsd > 24.329)) ( attr rmsd < 1.529 and attr rmsd > 1.429) 6 6 0 peak 22076 ppm1 1.466 ppm2 1.479 volume 13.8828 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 72.894 and attr rmsd > 71.894)) ( attr rmsd < 1.761 and attr rmsd > 1.661) 6 6 0 peak 12077 ppm1 1.419 ppm2 1.711 volume 3.8219 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 25.374 and attr rmsd > 24.374)) ( attr rmsd < 1.761 and attr rmsd > 1.661) 6 6 0 peak 22077 ppm1 1.419 ppm2 1.711 volume 3.8219 assi ((( attr rmsd < 1.472) and (attr rmsd > 1.372)) and bondedto(attr rmsd < 72.866 and attr rmsd > 71.866)) ( attr rmsd < 1.489 and attr rmsd > 1.389) 6 6 0 peak 12078 ppm1 1.422 ppm2 1.439 volume 11.9013 assi ((( attr rmsd < 1.472) and (attr rmsd > 1.372)) and bondedto(attr rmsd < 25.346 and attr rmsd > 24.346)) ( attr rmsd < 1.489 and attr rmsd > 1.389) 6 6 0 peak 22078 ppm1 1.422 ppm2 1.439 volume 11.9013 assi ((( attr rmsd < 1.379) and (attr rmsd > 1.279)) and bondedto(attr rmsd < 72.869 and attr rmsd > 71.869)) ( attr rmsd < 1.722 and attr rmsd > 1.622) 6 6 0 peak 12079 ppm1 1.329 ppm2 1.672 volume 2.3443 assi ((( attr rmsd < 1.379) and (attr rmsd > 1.279)) and bondedto(attr rmsd < 25.349 and attr rmsd > 24.349)) ( attr rmsd < 1.722 and attr rmsd > 1.622) 6 6 0 peak 22079 ppm1 1.329 ppm2 1.672 volume 2.3443 assi ((( attr rmsd < 1.353) and (attr rmsd > 1.253)) and bondedto(attr rmsd < 72.940 and attr rmsd > 71.940)) ( attr rmsd < 2.325 and attr rmsd > 2.225) 6 6 0 peak 12080 ppm1 1.303 ppm2 2.275 volume 0.2410 assi ((( attr rmsd < 1.353) and (attr rmsd > 1.253)) and bondedto(attr rmsd < 25.420 and attr rmsd > 24.420)) ( attr rmsd < 2.325 and attr rmsd > 2.225) 6 6 0 peak 22080 ppm1 1.303 ppm2 2.275 volume 0.2410 assi ((( attr rmsd < 1.347) and (attr rmsd > 1.247)) and bondedto(attr rmsd < 72.943 and attr rmsd > 71.943)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 12081 ppm1 1.297 ppm2 0.693 volume 0.4147 assi ((( attr rmsd < 1.347) and (attr rmsd > 1.247)) and bondedto(attr rmsd < 25.423 and attr rmsd > 24.423)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 22081 ppm1 1.297 ppm2 0.693 volume 0.4147 assi ((( attr rmsd < 1.080) and (attr rmsd > 0.980)) and bondedto(attr rmsd < 72.917 and attr rmsd > 71.917)) ( attr rmsd < 1.647 and attr rmsd > 1.547) 6 6 0 peak 12082 ppm1 1.030 ppm2 1.597 volume 0.1799 assi ((( attr rmsd < 1.080) and (attr rmsd > 0.980)) and bondedto(attr rmsd < 25.397 and attr rmsd > 24.397)) ( attr rmsd < 1.647 and attr rmsd > 1.547) 6 6 0 peak 22082 ppm1 1.030 ppm2 1.597 volume 0.1799 assi ((( attr rmsd < 1.050) and (attr rmsd > 0.950)) and bondedto(attr rmsd < 72.907 and attr rmsd > 71.907)) ( attr rmsd < 0.892 and attr rmsd > 0.792) 6 6 0 peak 12083 ppm1 1.000 ppm2 0.842 volume 0.2088 assi ((( attr rmsd < 1.050) and (attr rmsd > 0.950)) and bondedto(attr rmsd < 25.387 and attr rmsd > 24.387)) ( attr rmsd < 0.892 and attr rmsd > 0.792) 6 6 0 peak 22083 ppm1 1.000 ppm2 0.842 volume 0.2088 assi ((( attr rmsd < 4.876) and (attr rmsd > 4.776)) and bondedto(attr rmsd < 49.102 and attr rmsd > 48.102)) ( attr rmsd < 1.513 and attr rmsd > 1.413) 6 6 0 peak 2084 ppm1 4.826 ppm2 1.463 volume 0.2760 assi ((( attr rmsd < 4.808) and (attr rmsd > 4.708)) and bondedto(attr rmsd < 49.122 and attr rmsd > 48.122)) ( attr rmsd < 1.521 and attr rmsd > 1.421) 6 6 0 peak 2085 ppm1 4.758 ppm2 1.471 volume 0.1659 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 49.088 and attr rmsd > 48.088)) ( attr rmsd < 1.521 and attr rmsd > 1.421) 6 6 0 peak 2086 ppm1 4.690 ppm2 1.471 volume 0.5379 assi ((( attr rmsd < 4.704) and (attr rmsd > 4.604)) and bondedto(attr rmsd < 49.150 and attr rmsd > 48.150)) ( attr rmsd < 1.761 and attr rmsd > 1.661) 6 6 0 peak 2087 ppm1 4.654 ppm2 1.711 volume 0.1528 assi ((( attr rmsd < 1.944) and (attr rmsd > 1.844)) and bondedto(attr rmsd < 49.097 and attr rmsd > 48.097)) ( attr rmsd < 1.516 and attr rmsd > 1.416) 6 6 0 peak 2088 ppm1 1.894 ppm2 1.466 volume 0.2944 assi ((( attr rmsd < 1.859) and (attr rmsd > 1.759)) and bondedto(attr rmsd < 49.112 and attr rmsd > 48.112)) ( attr rmsd < 1.517 and attr rmsd > 1.417) 6 6 0 peak 2089 ppm1 1.809 ppm2 1.467 volume 0.3856 assi ((( attr rmsd < 1.799) and (attr rmsd > 1.699)) and bondedto(attr rmsd < 49.094 and attr rmsd > 48.094)) ( attr rmsd < 1.509 and attr rmsd > 1.409) 6 6 0 peak 2090 ppm1 1.749 ppm2 1.459 volume 0.4491 assi ((( attr rmsd < 1.767) and (attr rmsd > 1.667)) and bondedto(attr rmsd < 49.054 and attr rmsd > 48.054)) ( attr rmsd < 1.774 and attr rmsd > 1.674) 6 6 0 peak 2091 ppm1 1.717 ppm2 1.724 volume 1.2982 assi ((( attr rmsd < 1.653) and (attr rmsd > 1.553)) and bondedto(attr rmsd < 49.041 and attr rmsd > 48.041)) ( attr rmsd < 1.489 and attr rmsd > 1.389) 6 6 0 peak 2092 ppm1 1.603 ppm2 1.439 volume 0.6288 assi ((( attr rmsd < 0.740) and (attr rmsd > 0.640)) and bondedto(attr rmsd < 49.050 and attr rmsd > 48.050)) ( attr rmsd < 0.745 and attr rmsd > 0.645) 6 6 0 peak 2093 ppm1 0.690 ppm2 0.695 volume 1.0223 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 72.738 and attr rmsd > 71.738)) ( attr rmsd < 4.938 and attr rmsd > 4.838) 6 6 0 peak 12094 ppm1 4.847 ppm2 4.888 volume 0.1457 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 25.218 and attr rmsd > 24.218)) ( attr rmsd < 4.938 and attr rmsd > 4.838) 6 6 0 peak 22094 ppm1 4.847 ppm2 4.888 volume 0.1457 assi ((( attr rmsd < 1.553) and (attr rmsd > 1.453)) and bondedto(attr rmsd < 72.722 and attr rmsd > 71.722)) ( attr rmsd < 4.208 and attr rmsd > 4.108) 6 6 0 peak 12095 ppm1 1.503 ppm2 4.158 volume 0.4529 assi ((( attr rmsd < 1.553) and (attr rmsd > 1.453)) and bondedto(attr rmsd < 25.202 and attr rmsd > 24.202)) ( attr rmsd < 4.208 and attr rmsd > 4.108) 6 6 0 peak 22095 ppm1 1.503 ppm2 4.158 volume 0.4529 assi ((( attr rmsd < 1.519) and (attr rmsd > 1.419)) and bondedto(attr rmsd < 72.751 and attr rmsd > 71.751)) ( attr rmsd < 4.219 and attr rmsd > 4.119) 6 6 0 peak 12096 ppm1 1.469 ppm2 4.169 volume 0.4931 assi ((( attr rmsd < 1.519) and (attr rmsd > 1.419)) and bondedto(attr rmsd < 25.231 and attr rmsd > 24.231)) ( attr rmsd < 4.219 and attr rmsd > 4.119) 6 6 0 peak 22096 ppm1 1.469 ppm2 4.169 volume 0.4931 assi ((( attr rmsd < 1.386) and (attr rmsd > 1.286)) and bondedto(attr rmsd < 72.746 and attr rmsd > 71.746)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 12097 ppm1 1.336 ppm2 4.774 volume 0.1571 assi ((( attr rmsd < 1.386) and (attr rmsd > 1.286)) and bondedto(attr rmsd < 25.226 and attr rmsd > 24.226)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 22097 ppm1 1.336 ppm2 4.774 volume 0.1571 assi ((( attr rmsd < 1.215) and (attr rmsd > 1.115)) and bondedto(attr rmsd < 72.646 and attr rmsd > 71.646)) ( attr rmsd < 1.119 and attr rmsd > 1.019) 6 6 0 peak 12098 ppm1 1.165 ppm2 1.069 volume 0.1473 assi ((( attr rmsd < 1.215) and (attr rmsd > 1.115)) and bondedto(attr rmsd < 25.126 and attr rmsd > 24.126)) ( attr rmsd < 1.119 and attr rmsd > 1.019) 6 6 0 peak 22098 ppm1 1.165 ppm2 1.069 volume 0.1473 assi ((( attr rmsd < 1.049) and (attr rmsd > 0.949)) and bondedto(attr rmsd < 72.734 and attr rmsd > 71.734)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 12099 ppm1 0.999 ppm2 4.774 volume 0.1733 assi ((( attr rmsd < 1.049) and (attr rmsd > 0.949)) and bondedto(attr rmsd < 25.214 and attr rmsd > 24.214)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 22099 ppm1 0.999 ppm2 4.774 volume 0.1733 assi ((( attr rmsd < 4.949) and (attr rmsd > 4.849)) and bondedto(attr rmsd < 48.873 and attr rmsd > 47.873)) ( attr rmsd < 4.936 and attr rmsd > 4.836) 6 6 0 peak 2100 ppm1 4.899 ppm2 4.886 volume 0.1936 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 48.914 and attr rmsd > 47.914)) ( attr rmsd < 4.778 and attr rmsd > 4.678) 6 6 0 peak 2101 ppm1 4.850 ppm2 4.728 volume 0.2231 assi ((( attr rmsd < 3.863) and (attr rmsd > 3.763)) and bondedto(attr rmsd < 48.933 and attr rmsd > 47.933)) ( attr rmsd < 3.868 and attr rmsd > 3.768) 6 6 0 peak 2102 ppm1 3.813 ppm2 3.818 volume 0.1476 assi ((( attr rmsd < 1.290) and (attr rmsd > 1.190)) and bondedto(attr rmsd < 48.958 and attr rmsd > 47.958)) ( attr rmsd < 1.464 and attr rmsd > 1.364) 6 6 0 peak 2103 ppm1 1.240 ppm2 1.414 volume 0.1461 assi ((( attr rmsd < 1.255) and (attr rmsd > 1.155)) and bondedto(attr rmsd < 48.924 and attr rmsd > 47.924)) ( attr rmsd < 1.264 and attr rmsd > 1.164) 6 6 0 peak 2104 ppm1 1.205 ppm2 1.214 volume 0.4606 assi ((( attr rmsd < 3.773) and (attr rmsd > 3.673)) and bondedto(attr rmsd < 72.492 and attr rmsd > 71.492)) ( attr rmsd < 3.774 and attr rmsd > 3.674) 6 6 0 peak 12105 ppm1 3.723 ppm2 3.724 volume 3.4632 assi ((( attr rmsd < 3.773) and (attr rmsd > 3.673)) and bondedto(attr rmsd < 24.972 and attr rmsd > 23.972)) ( attr rmsd < 3.774 and attr rmsd > 3.674) 6 6 0 peak 22105 ppm1 3.723 ppm2 3.724 volume 3.4632 assi ((( attr rmsd < 1.672) and (attr rmsd > 1.572)) and bondedto(attr rmsd < 72.439 and attr rmsd > 71.439)) ( attr rmsd < 0.980 and attr rmsd > 0.880) 6 6 0 peak 12106 ppm1 1.622 ppm2 0.930 volume 0.6496 assi ((( attr rmsd < 1.672) and (attr rmsd > 1.572)) and bondedto(attr rmsd < 24.919 and attr rmsd > 23.919)) ( attr rmsd < 0.980 and attr rmsd > 0.880) 6 6 0 peak 22106 ppm1 1.622 ppm2 0.930 volume 0.6496 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 72.492 and attr rmsd > 71.492)) ( attr rmsd < 1.664 and attr rmsd > 1.564) 6 6 0 peak 12107 ppm1 0.931 ppm2 1.614 volume 0.5632 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 24.972 and attr rmsd > 23.972)) ( attr rmsd < 1.664 and attr rmsd > 1.564) 6 6 0 peak 22107 ppm1 0.931 ppm2 1.614 volume 0.5632 assi ((( attr rmsd < 0.691) and (attr rmsd > 0.591)) and bondedto(attr rmsd < 72.527 and attr rmsd > 71.527)) ( attr rmsd < 0.688 and attr rmsd > 0.588) 6 6 0 peak 12108 ppm1 0.641 ppm2 0.638 volume 0.1571 assi ((( attr rmsd < 0.691) and (attr rmsd > 0.591)) and bondedto(attr rmsd < 25.007 and attr rmsd > 24.007)) ( attr rmsd < 0.688 and attr rmsd > 0.588) 6 6 0 peak 22108 ppm1 0.641 ppm2 0.638 volume 0.1571 assi ((( attr rmsd < 3.787) and (attr rmsd > 3.687)) and bondedto(attr rmsd < 48.753 and attr rmsd > 47.753)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 2109 ppm1 3.737 ppm2 3.838 volume 0.2035 assi ((( attr rmsd < 3.757) and (attr rmsd > 3.657)) and bondedto(attr rmsd < 48.693 and attr rmsd > 47.693)) ( attr rmsd < 3.855 and attr rmsd > 3.755) 6 6 0 peak 2110 ppm1 3.707 ppm2 3.805 volume 0.1784 assi ((( attr rmsd < 0.934) and (attr rmsd > 0.834)) and bondedto(attr rmsd < 48.692 and attr rmsd > 47.692)) ( attr rmsd < 1.071 and attr rmsd > 0.971) 6 6 0 peak 2111 ppm1 0.884 ppm2 1.021 volume 0.1608 assi ((( attr rmsd < 0.937) and (attr rmsd > 0.837)) and bondedto(attr rmsd < 48.675 and attr rmsd > 47.675)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 2112 ppm1 0.887 ppm2 0.890 volume 6.4645 assi ((( attr rmsd < 0.856) and (attr rmsd > 0.756)) and bondedto(attr rmsd < 48.799 and attr rmsd > 47.799)) ( attr rmsd < 0.858 and attr rmsd > 0.758) 6 6 0 peak 2113 ppm1 0.806 ppm2 0.808 volume 1.4553 assi ((( attr rmsd < 3.496) and (attr rmsd > 3.396)) and bondedto(attr rmsd < 72.388 and attr rmsd > 71.388)) ( attr rmsd < 3.784 and attr rmsd > 3.684) 6 6 0 peak 12114 ppm1 3.446 ppm2 3.734 volume 0.2100 assi ((( attr rmsd < 3.496) and (attr rmsd > 3.396)) and bondedto(attr rmsd < 24.868 and attr rmsd > 23.868)) ( attr rmsd < 3.784 and attr rmsd > 3.684) 6 6 0 peak 22114 ppm1 3.446 ppm2 3.734 volume 0.2100 assi ((( attr rmsd < 3.490) and (attr rmsd > 3.390)) and bondedto(attr rmsd < 72.401 and attr rmsd > 71.401)) ( attr rmsd < 3.494 and attr rmsd > 3.394) 6 6 0 peak 12115 ppm1 3.440 ppm2 3.444 volume 1.0499 assi ((( attr rmsd < 3.490) and (attr rmsd > 3.390)) and bondedto(attr rmsd < 24.881 and attr rmsd > 23.881)) ( attr rmsd < 3.494 and attr rmsd > 3.394) 6 6 0 peak 22115 ppm1 3.440 ppm2 3.444 volume 1.0499 assi ((( attr rmsd < 1.246) and (attr rmsd > 1.146)) and bondedto(attr rmsd < 72.305 and attr rmsd > 71.305)) ( attr rmsd < 1.247 and attr rmsd > 1.147) 6 6 0 peak 12116 ppm1 1.196 ppm2 1.197 volume 0.3296 assi ((( attr rmsd < 1.246) and (attr rmsd > 1.146)) and bondedto(attr rmsd < 24.785 and attr rmsd > 23.785)) ( attr rmsd < 1.247 and attr rmsd > 1.147) 6 6 0 peak 22116 ppm1 1.196 ppm2 1.197 volume 0.3296 assi ((( attr rmsd < 1.199) and (attr rmsd > 1.099)) and bondedto(attr rmsd < 72.315 and attr rmsd > 71.315)) ( attr rmsd < 0.987 and attr rmsd > 0.887) 6 6 0 peak 12117 ppm1 1.149 ppm2 0.937 volume 0.1522 assi ((( attr rmsd < 1.199) and (attr rmsd > 1.099)) and bondedto(attr rmsd < 24.795 and attr rmsd > 23.795)) ( attr rmsd < 0.987 and attr rmsd > 0.887) 6 6 0 peak 22117 ppm1 1.149 ppm2 0.937 volume 0.1522 assi ((( attr rmsd < 1.058) and (attr rmsd > 0.958)) and bondedto(attr rmsd < 72.352 and attr rmsd > 71.352)) ( attr rmsd < 0.980 and attr rmsd > 0.880) 6 6 0 peak 12118 ppm1 1.008 ppm2 0.930 volume 0.3788 assi ((( attr rmsd < 1.058) and (attr rmsd > 0.958)) and bondedto(attr rmsd < 24.832 and attr rmsd > 23.832)) ( attr rmsd < 0.980 and attr rmsd > 0.880) 6 6 0 peak 22118 ppm1 1.008 ppm2 0.930 volume 0.3788 assi ((( attr rmsd < 0.965) and (attr rmsd > 0.865)) and bondedto(attr rmsd < 72.241 and attr rmsd > 71.241)) ( attr rmsd < 0.758 and attr rmsd > 0.658) 6 6 0 peak 12119 ppm1 0.915 ppm2 0.708 volume 0.3295 assi ((( attr rmsd < 0.965) and (attr rmsd > 0.865)) and bondedto(attr rmsd < 24.721 and attr rmsd > 23.721)) ( attr rmsd < 0.758 and attr rmsd > 0.658) 6 6 0 peak 22119 ppm1 0.915 ppm2 0.708 volume 0.3295 assi ((( attr rmsd < 0.983) and (attr rmsd > 0.883)) and bondedto(attr rmsd < 48.476 and attr rmsd > 47.476)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 2120 ppm1 0.933 ppm2 0.934 volume 6.9875 assi ((( attr rmsd < 3.127) and (attr rmsd > 3.027)) and bondedto(attr rmsd < 72.201 and attr rmsd > 71.201)) ( attr rmsd < 3.136 and attr rmsd > 3.036) 6 6 0 peak 12121 ppm1 3.077 ppm2 3.086 volume 0.2841 assi ((( attr rmsd < 3.127) and (attr rmsd > 3.027)) and bondedto(attr rmsd < 24.681 and attr rmsd > 23.681)) ( attr rmsd < 3.136 and attr rmsd > 3.036) 6 6 0 peak 22121 ppm1 3.077 ppm2 3.086 volume 0.2841 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 72.207 and attr rmsd > 71.207)) ( attr rmsd < 3.086 and attr rmsd > 2.986) 6 6 0 peak 12122 ppm1 3.029 ppm2 3.036 volume 0.5248 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 24.687 and attr rmsd > 23.687)) ( attr rmsd < 3.086 and attr rmsd > 2.986) 6 6 0 peak 22122 ppm1 3.029 ppm2 3.036 volume 0.5248 assi ((( attr rmsd < 0.709) and (attr rmsd > 0.609)) and bondedto(attr rmsd < 48.357 and attr rmsd > 47.357)) ( attr rmsd < 0.720 and attr rmsd > 0.620) 6 6 0 peak 2123 ppm1 0.659 ppm2 0.670 volume 0.3822 assi ((( attr rmsd < 1.258) and (attr rmsd > 1.158)) and bondedto(attr rmsd < 71.882 and attr rmsd > 70.882)) ( attr rmsd < 1.163 and attr rmsd > 1.063) 6 6 0 peak 12124 ppm1 1.208 ppm2 1.113 volume 0.1530 assi ((( attr rmsd < 1.258) and (attr rmsd > 1.158)) and bondedto(attr rmsd < 24.362 and attr rmsd > 23.362)) ( attr rmsd < 1.163 and attr rmsd > 1.063) 6 6 0 peak 22124 ppm1 1.208 ppm2 1.113 volume 0.1530 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 71.919 and attr rmsd > 70.919)) ( attr rmsd < 5.012 and attr rmsd > 4.912) 6 6 0 peak 12125 ppm1 0.857 ppm2 4.962 volume 1.2228 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 24.399 and attr rmsd > 23.399)) ( attr rmsd < 5.012 and attr rmsd > 4.912) 6 6 0 peak 22125 ppm1 0.857 ppm2 4.962 volume 1.2228 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 71.930 and attr rmsd > 70.930)) ( attr rmsd < 3.614 and attr rmsd > 3.514) 6 6 0 peak 12126 ppm1 0.853 ppm2 3.564 volume 0.5501 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 24.410 and attr rmsd > 23.410)) ( attr rmsd < 3.614 and attr rmsd > 3.514) 6 6 0 peak 22126 ppm1 0.853 ppm2 3.564 volume 0.5501 assi ((( attr rmsd < 0.905) and (attr rmsd > 0.805)) and bondedto(attr rmsd < 71.889 and attr rmsd > 70.889)) ( attr rmsd < 2.361 and attr rmsd > 2.261) 6 6 0 peak 12127 ppm1 0.855 ppm2 2.311 volume 0.4742 assi ((( attr rmsd < 0.905) and (attr rmsd > 0.805)) and bondedto(attr rmsd < 24.369 and attr rmsd > 23.369)) ( attr rmsd < 2.361 and attr rmsd > 2.261) 6 6 0 peak 22127 ppm1 0.855 ppm2 2.311 volume 0.4742 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 71.872 and attr rmsd > 70.872)) ( attr rmsd < 2.094 and attr rmsd > 1.994) 6 6 0 peak 12128 ppm1 0.857 ppm2 2.044 volume 0.5234 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 24.352 and attr rmsd > 23.352)) ( attr rmsd < 2.094 and attr rmsd > 1.994) 6 6 0 peak 22128 ppm1 0.857 ppm2 2.044 volume 0.5234 assi ((( attr rmsd < 0.908) and (attr rmsd > 0.808)) and bondedto(attr rmsd < 71.912 and attr rmsd > 70.912)) ( attr rmsd < 1.395 and attr rmsd > 1.295) 6 6 0 peak 12129 ppm1 0.858 ppm2 1.345 volume 1.7173 assi ((( attr rmsd < 0.908) and (attr rmsd > 0.808)) and bondedto(attr rmsd < 24.392 and attr rmsd > 23.392)) ( attr rmsd < 1.395 and attr rmsd > 1.295) 6 6 0 peak 22129 ppm1 0.858 ppm2 1.345 volume 1.7173 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 71.902 and attr rmsd > 70.902)) ( attr rmsd < 1.177 and attr rmsd > 1.077) 6 6 0 peak 12130 ppm1 0.853 ppm2 1.127 volume 0.5276 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 24.382 and attr rmsd > 23.382)) ( attr rmsd < 1.177 and attr rmsd > 1.077) 6 6 0 peak 22130 ppm1 0.853 ppm2 1.127 volume 0.5276 assi ((( attr rmsd < 0.822) and (attr rmsd > 0.722)) and bondedto(attr rmsd < 71.882 and attr rmsd > 70.882)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 12131 ppm1 0.772 ppm2 4.774 volume 0.1550 assi ((( attr rmsd < 0.822) and (attr rmsd > 0.722)) and bondedto(attr rmsd < 24.362 and attr rmsd > 23.362)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 22131 ppm1 0.772 ppm2 4.774 volume 0.1550 assi ((( attr rmsd < 1.578) and (attr rmsd > 1.478)) and bondedto(attr rmsd < 48.142 and attr rmsd > 47.142)) ( attr rmsd < 1.518 and attr rmsd > 1.418) 6 6 0 peak 2132 ppm1 1.528 ppm2 1.468 volume 0.5620 assi ((( attr rmsd < 1.533) and (attr rmsd > 1.433)) and bondedto(attr rmsd < 48.139 and attr rmsd > 47.139)) ( attr rmsd < 1.494 and attr rmsd > 1.394) 6 6 0 peak 2133 ppm1 1.483 ppm2 1.444 volume 0.7493 assi ((( attr rmsd < 1.505) and (attr rmsd > 1.405)) and bondedto(attr rmsd < 48.112 and attr rmsd > 47.112)) ( attr rmsd < 1.553 and attr rmsd > 1.453) 6 6 0 peak 2134 ppm1 1.455 ppm2 1.503 volume 0.7303 assi ((( attr rmsd < 1.445) and (attr rmsd > 1.345)) and bondedto(attr rmsd < 48.192 and attr rmsd > 47.192)) ( attr rmsd < 1.358 and attr rmsd > 1.258) 6 6 0 peak 2135 ppm1 1.395 ppm2 1.308 volume 0.3621 assi ((( attr rmsd < 1.354) and (attr rmsd > 1.254)) and bondedto(attr rmsd < 48.119 and attr rmsd > 47.119)) ( attr rmsd < 1.425 and attr rmsd > 1.325) 6 6 0 peak 2136 ppm1 1.304 ppm2 1.375 volume 0.3078 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 48.124 and attr rmsd > 47.124)) ( attr rmsd < 1.264 and attr rmsd > 1.164) 6 6 0 peak 2137 ppm1 1.206 ppm2 1.214 volume 1.4938 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 71.661 and attr rmsd > 70.661)) ( attr rmsd < 4.164 and attr rmsd > 4.064) 6 6 0 peak 12138 ppm1 4.848 ppm2 4.114 volume 0.2014 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 24.141 and attr rmsd > 23.141)) ( attr rmsd < 4.164 and attr rmsd > 4.064) 6 6 0 peak 22138 ppm1 4.848 ppm2 4.114 volume 0.2014 assi ((( attr rmsd < 4.881) and (attr rmsd > 4.781)) and bondedto(attr rmsd < 71.689 and attr rmsd > 70.689)) ( attr rmsd < 4.832 and attr rmsd > 4.732) 6 6 0 peak 12139 ppm1 4.831 ppm2 4.782 volume 0.1736 assi ((( attr rmsd < 4.881) and (attr rmsd > 4.781)) and bondedto(attr rmsd < 24.169 and attr rmsd > 23.169)) ( attr rmsd < 4.832 and attr rmsd > 4.732) 6 6 0 peak 22139 ppm1 4.831 ppm2 4.782 volume 0.1736 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 71.703 and attr rmsd > 70.703)) ( attr rmsd < 4.163 and attr rmsd > 4.063) 6 6 0 peak 12140 ppm1 4.715 ppm2 4.113 volume 0.1657 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 24.183 and attr rmsd > 23.183)) ( attr rmsd < 4.163 and attr rmsd > 4.063) 6 6 0 peak 22140 ppm1 4.715 ppm2 4.113 volume 0.1657 assi ((( attr rmsd < 4.163) and (attr rmsd > 4.063)) and bondedto(attr rmsd < 71.691 and attr rmsd > 70.691)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 12141 ppm1 4.113 ppm2 4.775 volume 0.8859 assi ((( attr rmsd < 4.163) and (attr rmsd > 4.063)) and bondedto(attr rmsd < 24.171 and attr rmsd > 23.171)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 22141 ppm1 4.113 ppm2 4.775 volume 0.8859 assi ((( attr rmsd < 4.162) and (attr rmsd > 4.062)) and bondedto(attr rmsd < 71.703 and attr rmsd > 70.703)) ( attr rmsd < 4.511 and attr rmsd > 4.411) 6 6 0 peak 12142 ppm1 4.112 ppm2 4.461 volume 0.6107 assi ((( attr rmsd < 4.162) and (attr rmsd > 4.062)) and bondedto(attr rmsd < 24.183 and attr rmsd > 23.183)) ( attr rmsd < 4.511 and attr rmsd > 4.411) 6 6 0 peak 22142 ppm1 4.112 ppm2 4.461 volume 0.6107 assi ((( attr rmsd < 4.162) and (attr rmsd > 4.062)) and bondedto(attr rmsd < 71.704 and attr rmsd > 70.704)) ( attr rmsd < 4.165 and attr rmsd > 4.065) 6 6 0 peak 12143 ppm1 4.112 ppm2 4.115 volume 2.4413 assi ((( attr rmsd < 4.162) and (attr rmsd > 4.062)) and bondedto(attr rmsd < 24.184 and attr rmsd > 23.184)) ( attr rmsd < 4.165 and attr rmsd > 4.065) 6 6 0 peak 22143 ppm1 4.112 ppm2 4.115 volume 2.4413 assi ((( attr rmsd < 4.165) and (attr rmsd > 4.065)) and bondedto(attr rmsd < 71.697 and attr rmsd > 70.697)) ( attr rmsd < 1.172 and attr rmsd > 1.072) 6 6 0 peak 12144 ppm1 4.115 ppm2 1.122 volume 0.7809 assi ((( attr rmsd < 4.165) and (attr rmsd > 4.065)) and bondedto(attr rmsd < 24.177 and attr rmsd > 23.177)) ( attr rmsd < 1.172 and attr rmsd > 1.072) 6 6 0 peak 22144 ppm1 4.115 ppm2 1.122 volume 0.7809 assi ((( attr rmsd < 1.743) and (attr rmsd > 1.643)) and bondedto(attr rmsd < 71.775 and attr rmsd > 70.775)) ( attr rmsd < 1.575 and attr rmsd > 1.475) 6 6 0 peak 12145 ppm1 1.693 ppm2 1.525 volume 0.2633 assi ((( attr rmsd < 1.743) and (attr rmsd > 1.643)) and bondedto(attr rmsd < 24.255 and attr rmsd > 23.255)) ( attr rmsd < 1.575 and attr rmsd > 1.475) 6 6 0 peak 22145 ppm1 1.693 ppm2 1.525 volume 0.2633 assi ((( attr rmsd < 1.748) and (attr rmsd > 1.648)) and bondedto(attr rmsd < 71.768 and attr rmsd > 70.768)) ( attr rmsd < 1.446 and attr rmsd > 1.346) 6 6 0 peak 12146 ppm1 1.698 ppm2 1.396 volume 0.2635 assi ((( attr rmsd < 1.748) and (attr rmsd > 1.648)) and bondedto(attr rmsd < 24.248 and attr rmsd > 23.248)) ( attr rmsd < 1.446 and attr rmsd > 1.346) 6 6 0 peak 22146 ppm1 1.698 ppm2 1.396 volume 0.2635 assi ((( attr rmsd < 1.580) and (attr rmsd > 1.480)) and bondedto(attr rmsd < 71.752 and attr rmsd > 70.752)) ( attr rmsd < 4.646 and attr rmsd > 4.546) 6 6 0 peak 12147 ppm1 1.530 ppm2 4.596 volume 0.1523 assi ((( attr rmsd < 1.580) and (attr rmsd > 1.480)) and bondedto(attr rmsd < 24.232 and attr rmsd > 23.232)) ( attr rmsd < 4.646 and attr rmsd > 4.546) 6 6 0 peak 22147 ppm1 1.530 ppm2 4.596 volume 0.1523 assi ((( attr rmsd < 1.574) and (attr rmsd > 1.474)) and bondedto(attr rmsd < 71.798 and attr rmsd > 70.798)) ( attr rmsd < 3.132 and attr rmsd > 3.032) 6 6 0 peak 12148 ppm1 1.524 ppm2 3.082 volume 0.1531 assi ((( attr rmsd < 1.574) and (attr rmsd > 1.474)) and bondedto(attr rmsd < 24.278 and attr rmsd > 23.278)) ( attr rmsd < 3.132 and attr rmsd > 3.032) 6 6 0 peak 22148 ppm1 1.524 ppm2 3.082 volume 0.1531 assi ((( attr rmsd < 1.575) and (attr rmsd > 1.475)) and bondedto(attr rmsd < 71.723 and attr rmsd > 70.723)) ( attr rmsd < 1.779 and attr rmsd > 1.679) 6 6 0 peak 12149 ppm1 1.525 ppm2 1.729 volume 1.0520 assi ((( attr rmsd < 1.575) and (attr rmsd > 1.475)) and bondedto(attr rmsd < 24.203 and attr rmsd > 23.203)) ( attr rmsd < 1.779 and attr rmsd > 1.679) 6 6 0 peak 22149 ppm1 1.525 ppm2 1.729 volume 1.0520 assi ((( attr rmsd < 1.579) and (attr rmsd > 1.479)) and bondedto(attr rmsd < 71.754 and attr rmsd > 70.754)) ( attr rmsd < 1.433 and attr rmsd > 1.333) 6 6 0 peak 12150 ppm1 1.529 ppm2 1.383 volume 1.6043 assi ((( attr rmsd < 1.579) and (attr rmsd > 1.479)) and bondedto(attr rmsd < 24.234 and attr rmsd > 23.234)) ( attr rmsd < 1.433 and attr rmsd > 1.333) 6 6 0 peak 22150 ppm1 1.529 ppm2 1.383 volume 1.6043 assi ((( attr rmsd < 1.432) and (attr rmsd > 1.332)) and bondedto(attr rmsd < 71.744 and attr rmsd > 70.744)) ( attr rmsd < 3.133 and attr rmsd > 3.033) 6 6 0 peak 12151 ppm1 1.382 ppm2 3.083 volume 0.1837 assi ((( attr rmsd < 1.432) and (attr rmsd > 1.332)) and bondedto(attr rmsd < 24.224 and attr rmsd > 23.224)) ( attr rmsd < 3.133 and attr rmsd > 3.033) 6 6 0 peak 22151 ppm1 1.382 ppm2 3.083 volume 0.1837 assi ((( attr rmsd < 1.431) and (attr rmsd > 1.331)) and bondedto(attr rmsd < 71.663 and attr rmsd > 70.663)) ( attr rmsd < 1.438 and attr rmsd > 1.338) 6 6 0 peak 12152 ppm1 1.381 ppm2 1.388 volume 1.6517 assi ((( attr rmsd < 1.431) and (attr rmsd > 1.331)) and bondedto(attr rmsd < 24.143 and attr rmsd > 23.143)) ( attr rmsd < 1.438 and attr rmsd > 1.338) 6 6 0 peak 22152 ppm1 1.381 ppm2 1.388 volume 1.6517 assi ((( attr rmsd < 1.423) and (attr rmsd > 1.323)) and bondedto(attr rmsd < 71.718 and attr rmsd > 70.718)) ( attr rmsd < 4.644 and attr rmsd > 4.544) 6 6 0 peak 12153 ppm1 1.373 ppm2 4.594 volume 0.1693 assi ((( attr rmsd < 1.423) and (attr rmsd > 1.323)) and bondedto(attr rmsd < 24.198 and attr rmsd > 23.198)) ( attr rmsd < 4.644 and attr rmsd > 4.544) 6 6 0 peak 22153 ppm1 1.373 ppm2 4.594 volume 0.1693 assi ((( attr rmsd < 1.426) and (attr rmsd > 1.326)) and bondedto(attr rmsd < 71.709 and attr rmsd > 70.709)) ( attr rmsd < 1.780 and attr rmsd > 1.680) 6 6 0 peak 12154 ppm1 1.376 ppm2 1.730 volume 1.2038 assi ((( attr rmsd < 1.426) and (attr rmsd > 1.326)) and bondedto(attr rmsd < 24.189 and attr rmsd > 23.189)) ( attr rmsd < 1.780 and attr rmsd > 1.680) 6 6 0 peak 22154 ppm1 1.376 ppm2 1.730 volume 1.2038 assi ((( attr rmsd < 1.425) and (attr rmsd > 1.325)) and bondedto(attr rmsd < 71.733 and attr rmsd > 70.733)) ( attr rmsd < 1.578 and attr rmsd > 1.478) 6 6 0 peak 12155 ppm1 1.375 ppm2 1.528 volume 1.6516 assi ((( attr rmsd < 1.425) and (attr rmsd > 1.325)) and bondedto(attr rmsd < 24.213 and attr rmsd > 23.213)) ( attr rmsd < 1.578 and attr rmsd > 1.478) 6 6 0 peak 22155 ppm1 1.375 ppm2 1.528 volume 1.6516 assi ((( attr rmsd < 1.164) and (attr rmsd > 1.064)) and bondedto(attr rmsd < 71.742 and attr rmsd > 70.742)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 12156 ppm1 1.114 ppm2 4.779 volume 0.1460 assi ((( attr rmsd < 1.164) and (attr rmsd > 1.064)) and bondedto(attr rmsd < 24.222 and attr rmsd > 23.222)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 22156 ppm1 1.114 ppm2 4.779 volume 0.1460 assi ((( attr rmsd < 1.165) and (attr rmsd > 1.065)) and bondedto(attr rmsd < 71.674 and attr rmsd > 70.674)) ( attr rmsd < 1.167 and attr rmsd > 1.067) 6 6 0 peak 12157 ppm1 1.115 ppm2 1.117 volume 0.2324 assi ((( attr rmsd < 1.165) and (attr rmsd > 1.065)) and bondedto(attr rmsd < 24.154 and attr rmsd > 23.154)) ( attr rmsd < 1.167 and attr rmsd > 1.067) 6 6 0 peak 22157 ppm1 1.115 ppm2 1.117 volume 0.2324 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 71.843 and attr rmsd > 70.843)) ( attr rmsd < 2.498 and attr rmsd > 2.398) 6 6 0 peak 12158 ppm1 0.864 ppm2 2.448 volume 0.1664 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 24.323 and attr rmsd > 23.323)) ( attr rmsd < 2.498 and attr rmsd > 2.398) 6 6 0 peak 22158 ppm1 0.864 ppm2 2.448 volume 0.1664 assi ((( attr rmsd < 0.692) and (attr rmsd > 0.592)) and bondedto(attr rmsd < 71.747 and attr rmsd > 70.747)) ( attr rmsd < 0.699 and attr rmsd > 0.599) 6 6 0 peak 12159 ppm1 0.642 ppm2 0.649 volume 0.3116 assi ((( attr rmsd < 0.692) and (attr rmsd > 0.592)) and bondedto(attr rmsd < 24.227 and attr rmsd > 23.227)) ( attr rmsd < 0.699 and attr rmsd > 0.599) 6 6 0 peak 22159 ppm1 0.642 ppm2 0.649 volume 0.3116 assi ((( attr rmsd < 4.931) and (attr rmsd > 4.831)) and bondedto(attr rmsd < 47.972 and attr rmsd > 46.972)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 2160 ppm1 4.881 ppm2 4.867 volume 0.1685 assi ((( attr rmsd < 3.843) and (attr rmsd > 3.743)) and bondedto(attr rmsd < 48.002 and attr rmsd > 47.002)) ( attr rmsd < 3.850 and attr rmsd > 3.750) 6 6 0 peak 2161 ppm1 3.793 ppm2 3.800 volume 0.2007 assi ((( attr rmsd < 3.787) and (attr rmsd > 3.687)) and bondedto(attr rmsd < 47.966 and attr rmsd > 46.966)) ( attr rmsd < 3.792 and attr rmsd > 3.692) 6 6 0 peak 2162 ppm1 3.737 ppm2 3.742 volume 0.6714 assi ((( attr rmsd < 2.170) and (attr rmsd > 2.070)) and bondedto(attr rmsd < 47.992 and attr rmsd > 46.992)) ( attr rmsd < 2.174 and attr rmsd > 2.074) 6 6 0 peak 2163 ppm1 2.120 ppm2 2.124 volume 0.3174 assi ((( attr rmsd < 1.014) and (attr rmsd > 0.914)) and bondedto(attr rmsd < 47.955 and attr rmsd > 46.955)) ( attr rmsd < 1.109 and attr rmsd > 1.009) 6 6 0 peak 2164 ppm1 0.964 ppm2 1.059 volume 0.3518 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 71.587 and attr rmsd > 70.587)) ( attr rmsd < 0.921 and attr rmsd > 0.821) 6 6 0 peak 12165 ppm1 4.855 ppm2 0.871 volume 1.0185 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 24.067 and attr rmsd > 23.067)) ( attr rmsd < 0.921 and attr rmsd > 0.821) 6 6 0 peak 22165 ppm1 4.855 ppm2 0.871 volume 1.0185 assi ((( attr rmsd < 4.792) and (attr rmsd > 4.692)) and bondedto(attr rmsd < 71.549 and attr rmsd > 70.549)) ( attr rmsd < 0.926 and attr rmsd > 0.826) 6 6 0 peak 12166 ppm1 4.742 ppm2 0.876 volume 1.5259 assi ((( attr rmsd < 4.792) and (attr rmsd > 4.692)) and bondedto(attr rmsd < 24.029 and attr rmsd > 23.029)) ( attr rmsd < 0.926 and attr rmsd > 0.826) 6 6 0 peak 22166 ppm1 4.742 ppm2 0.876 volume 1.5259 assi ((( attr rmsd < 1.573) and (attr rmsd > 1.473)) and bondedto(attr rmsd < 71.622 and attr rmsd > 70.622)) ( attr rmsd < 1.582 and attr rmsd > 1.482) 6 6 0 peak 12167 ppm1 1.523 ppm2 1.532 volume 1.1969 assi ((( attr rmsd < 1.573) and (attr rmsd > 1.473)) and bondedto(attr rmsd < 24.102 and attr rmsd > 23.102)) ( attr rmsd < 1.582 and attr rmsd > 1.482) 6 6 0 peak 22167 ppm1 1.523 ppm2 1.532 volume 1.1969 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 71.492 and attr rmsd > 70.492)) ( attr rmsd < 4.464 and attr rmsd > 4.364) 6 6 0 peak 12168 ppm1 0.865 ppm2 4.414 volume 1.3390 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 23.972 and attr rmsd > 22.972)) ( attr rmsd < 4.464 and attr rmsd > 4.364) 6 6 0 peak 22168 ppm1 0.865 ppm2 4.414 volume 1.3390 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 71.576 and attr rmsd > 70.576)) ( attr rmsd < 1.686 and attr rmsd > 1.586) 6 6 0 peak 12169 ppm1 0.867 ppm2 1.636 volume 2.3421 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 24.056 and attr rmsd > 23.056)) ( attr rmsd < 1.686 and attr rmsd > 1.586) 6 6 0 peak 22169 ppm1 0.867 ppm2 1.636 volume 2.3421 assi ((( attr rmsd < 0.922) and (attr rmsd > 0.822)) and bondedto(attr rmsd < 71.575 and attr rmsd > 70.575)) ( attr rmsd < 1.070 and attr rmsd > 0.970) 6 6 0 peak 12170 ppm1 0.872 ppm2 1.020 volume 1.4895 assi ((( attr rmsd < 0.922) and (attr rmsd > 0.822)) and bondedto(attr rmsd < 24.055 and attr rmsd > 23.055)) ( attr rmsd < 1.070 and attr rmsd > 0.970) 6 6 0 peak 22170 ppm1 0.872 ppm2 1.020 volume 1.4895 assi ((( attr rmsd < 0.923) and (attr rmsd > 0.823)) and bondedto(attr rmsd < 71.547 and attr rmsd > 70.547)) ( attr rmsd < 0.924 and attr rmsd > 0.824) 6 6 0 peak 12171 ppm1 0.873 ppm2 0.874 volume 150.3910 assi ((( attr rmsd < 0.923) and (attr rmsd > 0.823)) and bondedto(attr rmsd < 24.027 and attr rmsd > 23.027)) ( attr rmsd < 0.924 and attr rmsd > 0.824) 6 6 0 peak 22171 ppm1 0.873 ppm2 0.874 volume 150.3910 assi ((( attr rmsd < 0.893) and (attr rmsd > 0.793)) and bondedto(attr rmsd < 71.647 and attr rmsd > 70.647)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 12172 ppm1 0.843 ppm2 4.774 volume 0.2455 assi ((( attr rmsd < 0.893) and (attr rmsd > 0.793)) and bondedto(attr rmsd < 24.127 and attr rmsd > 23.127)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 22172 ppm1 0.843 ppm2 4.774 volume 0.2455 assi ((( attr rmsd < 0.834) and (attr rmsd > 0.734)) and bondedto(attr rmsd < 71.582 and attr rmsd > 70.582)) ( attr rmsd < 1.241 and attr rmsd > 1.141) 6 6 0 peak 12173 ppm1 0.784 ppm2 1.191 volume 0.2814 assi ((( attr rmsd < 0.834) and (attr rmsd > 0.734)) and bondedto(attr rmsd < 24.062 and attr rmsd > 23.062)) ( attr rmsd < 1.241 and attr rmsd > 1.141) 6 6 0 peak 22173 ppm1 0.784 ppm2 1.191 volume 0.2814 assi ((( attr rmsd < 0.823) and (attr rmsd > 0.723)) and bondedto(attr rmsd < 71.557 and attr rmsd > 70.557)) ( attr rmsd < 4.684 and attr rmsd > 4.584) 6 6 0 peak 12174 ppm1 0.773 ppm2 4.634 volume 0.7176 assi ((( attr rmsd < 0.823) and (attr rmsd > 0.723)) and bondedto(attr rmsd < 24.037 and attr rmsd > 23.037)) ( attr rmsd < 4.684 and attr rmsd > 4.584) 6 6 0 peak 22174 ppm1 0.773 ppm2 4.634 volume 0.7176 assi ((( attr rmsd < 0.826) and (attr rmsd > 0.726)) and bondedto(attr rmsd < 71.545 and attr rmsd > 70.545)) ( attr rmsd < 3.956 and attr rmsd > 3.856) 6 6 0 peak 12175 ppm1 0.776 ppm2 3.906 volume 0.3716 assi ((( attr rmsd < 0.826) and (attr rmsd > 0.726)) and bondedto(attr rmsd < 24.025 and attr rmsd > 23.025)) ( attr rmsd < 3.956 and attr rmsd > 3.856) 6 6 0 peak 22175 ppm1 0.776 ppm2 3.906 volume 0.3716 assi ((( attr rmsd < 0.826) and (attr rmsd > 0.726)) and bondedto(attr rmsd < 71.571 and attr rmsd > 70.571)) ( attr rmsd < 2.791 and attr rmsd > 2.691) 6 6 0 peak 12176 ppm1 0.776 ppm2 2.741 volume 0.1887 assi ((( attr rmsd < 0.826) and (attr rmsd > 0.726)) and bondedto(attr rmsd < 24.051 and attr rmsd > 23.051)) ( attr rmsd < 2.791 and attr rmsd > 2.691) 6 6 0 peak 22176 ppm1 0.776 ppm2 2.741 volume 0.1887 assi ((( attr rmsd < 0.825) and (attr rmsd > 0.725)) and bondedto(attr rmsd < 71.534 and attr rmsd > 70.534)) ( attr rmsd < 2.631 and attr rmsd > 2.531) 6 6 0 peak 12177 ppm1 0.775 ppm2 2.581 volume 0.2386 assi ((( attr rmsd < 0.825) and (attr rmsd > 0.725)) and bondedto(attr rmsd < 24.014 and attr rmsd > 23.014)) ( attr rmsd < 2.631 and attr rmsd > 2.531) 6 6 0 peak 22177 ppm1 0.775 ppm2 2.581 volume 0.2386 assi ((( attr rmsd < 0.825) and (attr rmsd > 0.725)) and bondedto(attr rmsd < 71.559 and attr rmsd > 70.559)) ( attr rmsd < 1.805 and attr rmsd > 1.705) 6 6 0 peak 12178 ppm1 0.775 ppm2 1.755 volume 1.4627 assi ((( attr rmsd < 0.825) and (attr rmsd > 0.725)) and bondedto(attr rmsd < 24.039 and attr rmsd > 23.039)) ( attr rmsd < 1.805 and attr rmsd > 1.705) 6 6 0 peak 22178 ppm1 0.775 ppm2 1.755 volume 1.4627 assi ((( attr rmsd < 0.828) and (attr rmsd > 0.728)) and bondedto(attr rmsd < 71.576 and attr rmsd > 70.576)) ( attr rmsd < 1.698 and attr rmsd > 1.598) 6 6 0 peak 12179 ppm1 0.778 ppm2 1.648 volume 0.7858 assi ((( attr rmsd < 0.828) and (attr rmsd > 0.728)) and bondedto(attr rmsd < 24.056 and attr rmsd > 23.056)) ( attr rmsd < 1.698 and attr rmsd > 1.598) 6 6 0 peak 22179 ppm1 0.778 ppm2 1.648 volume 0.7858 assi ((( attr rmsd < 0.824) and (attr rmsd > 0.724)) and bondedto(attr rmsd < 71.588 and attr rmsd > 70.588)) ( attr rmsd < 0.829 and attr rmsd > 0.729) 6 6 0 peak 12180 ppm1 0.774 ppm2 0.779 volume 29.6257 assi ((( attr rmsd < 0.824) and (attr rmsd > 0.724)) and bondedto(attr rmsd < 24.068 and attr rmsd > 23.068)) ( attr rmsd < 0.829 and attr rmsd > 0.729) 6 6 0 peak 22180 ppm1 0.774 ppm2 0.779 volume 29.6257 assi ((( attr rmsd < 4.862) and (attr rmsd > 4.762)) and bondedto(attr rmsd < 47.808 and attr rmsd > 46.808)) ( attr rmsd < 0.927 and attr rmsd > 0.827) 6 6 0 peak 2181 ppm1 4.812 ppm2 0.877 volume 0.3462 assi ((( attr rmsd < 0.929) and (attr rmsd > 0.829)) and bondedto(attr rmsd < 47.792 and attr rmsd > 46.792)) ( attr rmsd < 1.034 and attr rmsd > 0.934) 6 6 0 peak 2182 ppm1 0.879 ppm2 0.984 volume 5.7407 assi ((( attr rmsd < 0.631) and (attr rmsd > 0.531)) and bondedto(attr rmsd < 47.831 and attr rmsd > 46.831)) ( attr rmsd < 0.638 and attr rmsd > 0.538) 6 6 0 peak 2183 ppm1 0.581 ppm2 0.588 volume 0.2548 assi ((( attr rmsd < 3.125) and (attr rmsd > 3.025)) and bondedto(attr rmsd < 71.362 and attr rmsd > 70.362)) ( attr rmsd < 3.138 and attr rmsd > 3.038) 6 6 0 peak 12184 ppm1 3.075 ppm2 3.088 volume 0.2515 assi ((( attr rmsd < 3.125) and (attr rmsd > 3.025)) and bondedto(attr rmsd < 23.842 and attr rmsd > 22.842)) ( attr rmsd < 3.138 and attr rmsd > 3.038) 6 6 0 peak 22184 ppm1 3.075 ppm2 3.088 volume 0.2515 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 71.330 and attr rmsd > 70.330)) ( attr rmsd < 3.089 and attr rmsd > 2.989) 6 6 0 peak 12185 ppm1 3.030 ppm2 3.039 volume 0.4741 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 23.810 and attr rmsd > 22.810)) ( attr rmsd < 3.089 and attr rmsd > 2.989) 6 6 0 peak 22185 ppm1 3.030 ppm2 3.039 volume 0.4741 assi ((( attr rmsd < 2.145) and (attr rmsd > 2.045)) and bondedto(attr rmsd < 71.313 and attr rmsd > 70.313)) ( attr rmsd < 2.152 and attr rmsd > 2.052) 6 6 0 peak 12186 ppm1 2.095 ppm2 2.102 volume 0.2701 assi ((( attr rmsd < 2.145) and (attr rmsd > 2.045)) and bondedto(attr rmsd < 23.793 and attr rmsd > 22.793)) ( attr rmsd < 2.152 and attr rmsd > 2.052) 6 6 0 peak 22186 ppm1 2.095 ppm2 2.102 volume 0.2701 assi ((( attr rmsd < 1.673) and (attr rmsd > 1.573)) and bondedto(attr rmsd < 71.469 and attr rmsd > 70.469)) ( attr rmsd < 0.930 and attr rmsd > 0.830) 6 6 0 peak 12187 ppm1 1.623 ppm2 0.880 volume 0.5754 assi ((( attr rmsd < 1.673) and (attr rmsd > 1.573)) and bondedto(attr rmsd < 23.949 and attr rmsd > 22.949)) ( attr rmsd < 0.930 and attr rmsd > 0.830) 6 6 0 peak 22187 ppm1 1.623 ppm2 0.880 volume 0.5754 assi ((( attr rmsd < 3.728) and (attr rmsd > 3.628)) and bondedto(attr rmsd < 47.677 and attr rmsd > 46.677)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 2188 ppm1 3.678 ppm2 3.596 volume 0.2594 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 47.603 and attr rmsd > 46.603)) ( attr rmsd < 0.931 and attr rmsd > 0.831) 6 6 0 peak 2189 ppm1 1.206 ppm2 0.881 volume 0.8968 assi ((( attr rmsd < 0.983) and (attr rmsd > 0.883)) and bondedto(attr rmsd < 47.659 and attr rmsd > 46.659)) ( attr rmsd < 0.891 and attr rmsd > 0.791) 6 6 0 peak 2190 ppm1 0.933 ppm2 0.841 volume 2.7139 assi ((( attr rmsd < 0.930) and (attr rmsd > 0.830)) and bondedto(attr rmsd < 47.663 and attr rmsd > 46.663)) ( attr rmsd < 1.109 and attr rmsd > 1.009) 6 6 0 peak 2191 ppm1 0.880 ppm2 1.059 volume 0.2176 assi ((( attr rmsd < 0.703) and (attr rmsd > 0.603)) and bondedto(attr rmsd < 47.552 and attr rmsd > 46.552)) ( attr rmsd < 0.704 and attr rmsd > 0.604) 6 6 0 peak 2192 ppm1 0.653 ppm2 0.654 volume 1.3075 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 71.097 and attr rmsd > 70.097)) ( attr rmsd < 2.820 and attr rmsd > 2.720) 6 6 0 peak 12193 ppm1 0.931 ppm2 2.770 volume 0.1845 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 23.577 and attr rmsd > 22.577)) ( attr rmsd < 2.820 and attr rmsd > 2.720) 6 6 0 peak 22193 ppm1 0.931 ppm2 2.770 volume 0.1845 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 71.110 and attr rmsd > 70.110)) ( attr rmsd < 2.395 and attr rmsd > 2.295) 6 6 0 peak 12194 ppm1 0.929 ppm2 2.345 volume 0.2795 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 23.590 and attr rmsd > 22.590)) ( attr rmsd < 2.395 and attr rmsd > 2.295) 6 6 0 peak 22194 ppm1 0.929 ppm2 2.345 volume 0.2795 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) and bondedto(attr rmsd < 71.096 and attr rmsd > 70.096)) ( attr rmsd < 1.622 and attr rmsd > 1.522) 6 6 0 peak 12195 ppm1 0.928 ppm2 1.572 volume 0.9846 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) and bondedto(attr rmsd < 23.576 and attr rmsd > 22.576)) ( attr rmsd < 1.622 and attr rmsd > 1.522) 6 6 0 peak 22195 ppm1 0.928 ppm2 1.572 volume 0.9846 assi ((( attr rmsd < 0.976) and (attr rmsd > 0.876)) and bondedto(attr rmsd < 71.123 and attr rmsd > 70.123)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 12196 ppm1 0.926 ppm2 0.934 volume 25.3453 assi ((( attr rmsd < 0.976) and (attr rmsd > 0.876)) and bondedto(attr rmsd < 23.603 and attr rmsd > 22.603)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 22196 ppm1 0.926 ppm2 0.934 volume 25.3453 assi ((( attr rmsd < 1.507) and (attr rmsd > 1.407)) and bondedto(attr rmsd < 47.365 and attr rmsd > 46.365)) ( attr rmsd < 1.533 and attr rmsd > 1.433) 6 6 0 peak 2197 ppm1 1.457 ppm2 1.483 volume 0.2897 assi ((( attr rmsd < 1.167) and (attr rmsd > 1.067)) and bondedto(attr rmsd < 47.427 and attr rmsd > 46.427)) ( attr rmsd < 1.168 and attr rmsd > 1.068) 6 6 0 peak 2198 ppm1 1.117 ppm2 1.118 volume 0.1838 assi ((( attr rmsd < 0.558) and (attr rmsd > 0.458)) and bondedto(attr rmsd < 47.452 and attr rmsd > 46.452)) ( attr rmsd < 0.560 and attr rmsd > 0.460) 6 6 0 peak 2199 ppm1 0.508 ppm2 0.510 volume 0.7099 assi ((( attr rmsd < 6.496) and (attr rmsd > 6.396)) and bondedto(attr rmsd < 70.964 and attr rmsd > 69.964)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 12200 ppm1 6.446 ppm2 4.778 volume 0.2064 assi ((( attr rmsd < 6.496) and (attr rmsd > 6.396)) and bondedto(attr rmsd < 23.444 and attr rmsd > 22.444)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 22200 ppm1 6.446 ppm2 4.778 volume 0.2064 assi ((( attr rmsd < 4.945) and (attr rmsd > 4.845)) and bondedto(attr rmsd < 70.959 and attr rmsd > 69.959)) ( attr rmsd < 1.263 and attr rmsd > 1.163) 6 6 0 peak 12201 ppm1 4.895 ppm2 1.213 volume 0.1859 assi ((( attr rmsd < 4.945) and (attr rmsd > 4.845)) and bondedto(attr rmsd < 23.439 and attr rmsd > 22.439)) ( attr rmsd < 1.263 and attr rmsd > 1.163) 6 6 0 peak 22201 ppm1 4.895 ppm2 1.213 volume 0.1859 assi ((( attr rmsd < 4.911) and (attr rmsd > 4.811)) and bondedto(attr rmsd < 71.031 and attr rmsd > 70.031)) ( attr rmsd < 1.260 and attr rmsd > 1.160) 6 6 0 peak 12202 ppm1 4.861 ppm2 1.210 volume 0.1859 assi ((( attr rmsd < 4.911) and (attr rmsd > 4.811)) and bondedto(attr rmsd < 23.511 and attr rmsd > 22.511)) ( attr rmsd < 1.260 and attr rmsd > 1.160) 6 6 0 peak 22202 ppm1 4.861 ppm2 1.210 volume 0.1859 assi ((( attr rmsd < 4.849) and (attr rmsd > 4.749)) and bondedto(attr rmsd < 71.052 and attr rmsd > 70.052)) ( attr rmsd < 0.988 and attr rmsd > 0.888) 6 6 0 peak 12203 ppm1 4.799 ppm2 0.938 volume 0.2130 assi ((( attr rmsd < 4.849) and (attr rmsd > 4.749)) and bondedto(attr rmsd < 23.532 and attr rmsd > 22.532)) ( attr rmsd < 0.988 and attr rmsd > 0.888) 6 6 0 peak 22203 ppm1 4.799 ppm2 0.938 volume 0.2130 assi ((( attr rmsd < 4.243) and (attr rmsd > 4.143)) and bondedto(attr rmsd < 71.021 and attr rmsd > 70.021)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 12204 ppm1 4.193 ppm2 1.207 volume 0.2701 assi ((( attr rmsd < 4.243) and (attr rmsd > 4.143)) and bondedto(attr rmsd < 23.501 and attr rmsd > 22.501)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 22204 ppm1 4.193 ppm2 1.207 volume 0.2701 assi ((( attr rmsd < 1.824) and (attr rmsd > 1.724)) and bondedto(attr rmsd < 70.954 and attr rmsd > 69.954)) ( attr rmsd < 0.795 and attr rmsd > 0.695) 6 6 0 peak 12205 ppm1 1.774 ppm2 0.745 volume 0.1569 assi ((( attr rmsd < 1.824) and (attr rmsd > 1.724)) and bondedto(attr rmsd < 23.434 and attr rmsd > 22.434)) ( attr rmsd < 0.795 and attr rmsd > 0.695) 6 6 0 peak 22205 ppm1 1.774 ppm2 0.745 volume 0.1569 assi ((( attr rmsd < 1.257) and (attr rmsd > 1.157)) and bondedto(attr rmsd < 71.009 and attr rmsd > 70.009)) ( attr rmsd < 5.007 and attr rmsd > 4.907) 6 6 0 peak 12206 ppm1 1.207 ppm2 4.957 volume 0.1739 assi ((( attr rmsd < 1.257) and (attr rmsd > 1.157)) and bondedto(attr rmsd < 23.489 and attr rmsd > 22.489)) ( attr rmsd < 5.007 and attr rmsd > 4.907) 6 6 0 peak 22206 ppm1 1.207 ppm2 4.957 volume 0.1739 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 71.018 and attr rmsd > 70.018)) ( attr rmsd < 4.663 and attr rmsd > 4.563) 6 6 0 peak 12207 ppm1 1.206 ppm2 4.613 volume 0.4354 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 23.498 and attr rmsd > 22.498)) ( attr rmsd < 4.663 and attr rmsd > 4.563) 6 6 0 peak 22207 ppm1 1.206 ppm2 4.613 volume 0.4354 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 71.018 and attr rmsd > 70.018)) ( attr rmsd < 3.568 and attr rmsd > 3.468) 6 6 0 peak 12208 ppm1 1.206 ppm2 3.518 volume 1.0870 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 23.498 and attr rmsd > 22.498)) ( attr rmsd < 3.568 and attr rmsd > 3.468) 6 6 0 peak 22208 ppm1 1.206 ppm2 3.518 volume 1.0870 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 71.009 and attr rmsd > 70.009)) ( attr rmsd < 1.794 and attr rmsd > 1.694) 6 6 0 peak 12209 ppm1 1.206 ppm2 1.744 volume 0.6000 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 23.489 and attr rmsd > 22.489)) ( attr rmsd < 1.794 and attr rmsd > 1.694) 6 6 0 peak 22209 ppm1 1.206 ppm2 1.744 volume 0.6000 assi ((( attr rmsd < 1.257) and (attr rmsd > 1.157)) and bondedto(attr rmsd < 70.991 and attr rmsd > 69.991)) ( attr rmsd < 1.636 and attr rmsd > 1.536) 6 6 0 peak 12210 ppm1 1.207 ppm2 1.586 volume 0.1476 assi ((( attr rmsd < 1.257) and (attr rmsd > 1.157)) and bondedto(attr rmsd < 23.471 and attr rmsd > 22.471)) ( attr rmsd < 1.636 and attr rmsd > 1.536) 6 6 0 peak 22210 ppm1 1.207 ppm2 1.586 volume 0.1476 assi ((( attr rmsd < 1.253) and (attr rmsd > 1.153)) and bondedto(attr rmsd < 70.998 and attr rmsd > 69.998)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 12211 ppm1 1.203 ppm2 4.771 volume 0.9315 assi ((( attr rmsd < 1.253) and (attr rmsd > 1.153)) and bondedto(attr rmsd < 23.478 and attr rmsd > 22.478)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 22211 ppm1 1.203 ppm2 4.771 volume 0.9315 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 71.006 and attr rmsd > 70.006)) ( attr rmsd < 4.243 and attr rmsd > 4.143) 6 6 0 peak 12212 ppm1 1.202 ppm2 4.193 volume 1.3114 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 23.486 and attr rmsd > 22.486)) ( attr rmsd < 4.243 and attr rmsd > 4.143) 6 6 0 peak 22212 ppm1 1.202 ppm2 4.193 volume 1.3114 assi ((( attr rmsd < 1.254) and (attr rmsd > 1.154)) and bondedto(attr rmsd < 71.003 and attr rmsd > 70.003)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 12213 ppm1 1.204 ppm2 3.664 volume 0.2874 assi ((( attr rmsd < 1.254) and (attr rmsd > 1.154)) and bondedto(attr rmsd < 23.483 and attr rmsd > 22.483)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 22213 ppm1 1.204 ppm2 3.664 volume 0.2874 assi ((( attr rmsd < 1.251) and (attr rmsd > 1.151)) and bondedto(attr rmsd < 71.022 and attr rmsd > 70.022)) ( attr rmsd < 1.453 and attr rmsd > 1.353) 6 6 0 peak 12214 ppm1 1.201 ppm2 1.403 volume 0.2262 assi ((( attr rmsd < 1.251) and (attr rmsd > 1.151)) and bondedto(attr rmsd < 23.502 and attr rmsd > 22.502)) ( attr rmsd < 1.453 and attr rmsd > 1.353) 6 6 0 peak 22214 ppm1 1.201 ppm2 1.403 volume 0.2262 assi ((( attr rmsd < 1.253) and (attr rmsd > 1.153)) and bondedto(attr rmsd < 71.006 and attr rmsd > 70.006)) ( attr rmsd < 1.256 and attr rmsd > 1.156) 6 6 0 peak 12215 ppm1 1.203 ppm2 1.206 volume 23.9968 assi ((( attr rmsd < 1.253) and (attr rmsd > 1.153)) and bondedto(attr rmsd < 23.486 and attr rmsd > 22.486)) ( attr rmsd < 1.256 and attr rmsd > 1.156) 6 6 0 peak 22215 ppm1 1.203 ppm2 1.206 volume 23.9968 assi ((( attr rmsd < 1.253) and (attr rmsd > 1.153)) and bondedto(attr rmsd < 71.012 and attr rmsd > 70.012)) ( attr rmsd < 0.555 and attr rmsd > 0.455) 6 6 0 peak 12216 ppm1 1.203 ppm2 0.505 volume 1.1204 assi ((( attr rmsd < 1.253) and (attr rmsd > 1.153)) and bondedto(attr rmsd < 23.492 and attr rmsd > 22.492)) ( attr rmsd < 0.555 and attr rmsd > 0.455) 6 6 0 peak 22216 ppm1 1.203 ppm2 0.505 volume 1.1204 assi ((( attr rmsd < 0.976) and (attr rmsd > 0.876)) and bondedto(attr rmsd < 71.064 and attr rmsd > 70.064)) ( attr rmsd < 4.817 and attr rmsd > 4.717) 6 6 0 peak 12217 ppm1 0.926 ppm2 4.767 volume 0.3379 assi ((( attr rmsd < 0.976) and (attr rmsd > 0.876)) and bondedto(attr rmsd < 23.544 and attr rmsd > 22.544)) ( attr rmsd < 4.817 and attr rmsd > 4.717) 6 6 0 peak 22217 ppm1 0.926 ppm2 4.767 volume 0.3379 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 71.085 and attr rmsd > 70.085)) ( attr rmsd < 4.541 and attr rmsd > 4.441) 6 6 0 peak 12218 ppm1 0.931 ppm2 4.491 volume 1.2312 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 23.565 and attr rmsd > 22.565)) ( attr rmsd < 4.541 and attr rmsd > 4.441) 6 6 0 peak 22218 ppm1 0.931 ppm2 4.491 volume 1.2312 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) and bondedto(attr rmsd < 71.082 and attr rmsd > 70.082)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 12219 ppm1 0.928 ppm2 3.838 volume 0.1597 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) and bondedto(attr rmsd < 23.562 and attr rmsd > 22.562)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 22219 ppm1 0.928 ppm2 3.838 volume 0.1597 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 71.093 and attr rmsd > 70.093)) ( attr rmsd < 2.522 and attr rmsd > 2.422) 6 6 0 peak 12220 ppm1 0.930 ppm2 2.472 volume 0.1684 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 23.573 and attr rmsd > 22.573)) ( attr rmsd < 2.522 and attr rmsd > 2.422) 6 6 0 peak 22220 ppm1 0.930 ppm2 2.472 volume 0.1684 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 71.079 and attr rmsd > 70.079)) ( attr rmsd < 2.268 and attr rmsd > 2.168) 6 6 0 peak 12221 ppm1 0.929 ppm2 2.218 volume 0.2675 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 23.559 and attr rmsd > 22.559)) ( attr rmsd < 2.268 and attr rmsd > 2.168) 6 6 0 peak 22221 ppm1 0.929 ppm2 2.218 volume 0.2675 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 71.085 and attr rmsd > 70.085)) ( attr rmsd < 1.931 and attr rmsd > 1.831) 6 6 0 peak 12222 ppm1 0.929 ppm2 1.881 volume 1.3590 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 23.565 and attr rmsd > 22.565)) ( attr rmsd < 1.931 and attr rmsd > 1.831) 6 6 0 peak 22222 ppm1 0.929 ppm2 1.881 volume 1.3590 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 71.092 and attr rmsd > 70.092)) ( attr rmsd < 1.808 and attr rmsd > 1.708) 6 6 0 peak 12223 ppm1 0.931 ppm2 1.758 volume 0.5052 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 23.572 and attr rmsd > 22.572)) ( attr rmsd < 1.808 and attr rmsd > 1.708) 6 6 0 peak 22223 ppm1 0.931 ppm2 1.758 volume 0.5052 assi ((( attr rmsd < 0.785) and (attr rmsd > 0.685)) and bondedto(attr rmsd < 70.916 and attr rmsd > 69.916)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 12224 ppm1 0.735 ppm2 4.776 volume 0.3322 assi ((( attr rmsd < 0.785) and (attr rmsd > 0.685)) and bondedto(attr rmsd < 23.396 and attr rmsd > 22.396)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 22224 ppm1 0.735 ppm2 4.776 volume 0.3322 assi ((( attr rmsd < 0.790) and (attr rmsd > 0.690)) and bondedto(attr rmsd < 70.917 and attr rmsd > 69.917)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 12225 ppm1 0.740 ppm2 3.838 volume 0.4083 assi ((( attr rmsd < 0.790) and (attr rmsd > 0.690)) and bondedto(attr rmsd < 23.397 and attr rmsd > 22.397)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 22225 ppm1 0.740 ppm2 3.838 volume 0.4083 assi ((( attr rmsd < 5.303) and (attr rmsd > 5.203)) and bondedto(attr rmsd < 47.249 and attr rmsd > 46.249)) ( attr rmsd < 5.310 and attr rmsd > 5.210) 6 6 0 peak 2226 ppm1 5.253 ppm2 5.260 volume 0.3570 assi ((( attr rmsd < 4.927) and (attr rmsd > 4.827)) and bondedto(attr rmsd < 47.270 and attr rmsd > 46.270)) ( attr rmsd < 4.909 and attr rmsd > 4.809) 6 6 0 peak 2227 ppm1 4.877 ppm2 4.859 volume 0.1702 assi ((( attr rmsd < 4.863) and (attr rmsd > 4.763)) and bondedto(attr rmsd < 47.296 and attr rmsd > 46.296)) ( attr rmsd < 1.263 and attr rmsd > 1.163) 6 6 0 peak 2228 ppm1 4.813 ppm2 1.213 volume 0.1616 assi ((( attr rmsd < 4.722) and (attr rmsd > 4.622)) and bondedto(attr rmsd < 47.200 and attr rmsd > 46.200)) ( attr rmsd < 1.257 and attr rmsd > 1.157) 6 6 0 peak 2229 ppm1 4.672 ppm2 1.207 volume 0.2273 assi ((( attr rmsd < 4.704) and (attr rmsd > 4.604)) and bondedto(attr rmsd < 47.274 and attr rmsd > 46.274)) ( attr rmsd < 1.258 and attr rmsd > 1.158) 6 6 0 peak 2230 ppm1 4.654 ppm2 1.208 volume 0.2095 assi ((( attr rmsd < 4.638) and (attr rmsd > 4.538)) and bondedto(attr rmsd < 47.262 and attr rmsd > 46.262)) ( attr rmsd < 1.261 and attr rmsd > 1.161) 6 6 0 peak 2231 ppm1 4.588 ppm2 1.211 volume 0.1759 assi ((( attr rmsd < 4.296) and (attr rmsd > 4.196)) and bondedto(attr rmsd < 47.287 and attr rmsd > 46.287)) ( attr rmsd < 1.256 and attr rmsd > 1.156) 6 6 0 peak 2232 ppm1 4.246 ppm2 1.206 volume 0.1836 assi ((( attr rmsd < 4.191) and (attr rmsd > 4.091)) and bondedto(attr rmsd < 47.210 and attr rmsd > 46.210)) ( attr rmsd < 1.259 and attr rmsd > 1.159) 6 6 0 peak 2233 ppm1 4.141 ppm2 1.209 volume 0.1589 assi ((( attr rmsd < 2.173) and (attr rmsd > 2.073)) and bondedto(attr rmsd < 47.159 and attr rmsd > 46.159)) ( attr rmsd < 2.175 and attr rmsd > 2.075) 6 6 0 peak 2234 ppm1 2.123 ppm2 2.125 volume 0.3233 assi ((( attr rmsd < 1.566) and (attr rmsd > 1.466)) and bondedto(attr rmsd < 47.159 and attr rmsd > 46.159)) ( attr rmsd < 1.562 and attr rmsd > 1.462) 6 6 0 peak 2235 ppm1 1.516 ppm2 1.512 volume 0.3834 assi ((( attr rmsd < 1.447) and (attr rmsd > 1.347)) and bondedto(attr rmsd < 47.170 and attr rmsd > 46.170)) ( attr rmsd < 1.458 and attr rmsd > 1.358) 6 6 0 peak 2236 ppm1 1.397 ppm2 1.408 volume 0.3167 assi ((( attr rmsd < 0.797) and (attr rmsd > 0.697)) and bondedto(attr rmsd < 70.860 and attr rmsd > 69.860)) ( attr rmsd < 3.589 and attr rmsd > 3.489) 6 6 0 peak 12237 ppm1 0.747 ppm2 3.539 volume 1.1072 assi ((( attr rmsd < 0.797) and (attr rmsd > 0.697)) and bondedto(attr rmsd < 23.340 and attr rmsd > 22.340)) ( attr rmsd < 3.589 and attr rmsd > 3.489) 6 6 0 peak 22237 ppm1 0.747 ppm2 3.539 volume 1.1072 assi ((( attr rmsd < 0.790) and (attr rmsd > 0.690)) and bondedto(attr rmsd < 70.878 and attr rmsd > 69.878)) ( attr rmsd < 2.048 and attr rmsd > 1.948) 6 6 0 peak 12238 ppm1 0.740 ppm2 1.998 volume 0.3072 assi ((( attr rmsd < 0.790) and (attr rmsd > 0.690)) and bondedto(attr rmsd < 23.358 and attr rmsd > 22.358)) ( attr rmsd < 2.048 and attr rmsd > 1.948) 6 6 0 peak 22238 ppm1 0.740 ppm2 1.998 volume 0.3072 assi ((( attr rmsd < 0.792) and (attr rmsd > 0.692)) and bondedto(attr rmsd < 70.892 and attr rmsd > 69.892)) ( attr rmsd < 1.829 and attr rmsd > 1.729) 6 6 0 peak 12239 ppm1 0.742 ppm2 1.779 volume 1.4476 assi ((( attr rmsd < 0.792) and (attr rmsd > 0.692)) and bondedto(attr rmsd < 23.372 and attr rmsd > 22.372)) ( attr rmsd < 1.829 and attr rmsd > 1.729) 6 6 0 peak 22239 ppm1 0.742 ppm2 1.779 volume 1.4476 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 70.856 and attr rmsd > 69.856)) ( attr rmsd < 0.944 and attr rmsd > 0.844) 6 6 0 peak 12240 ppm1 0.741 ppm2 0.894 volume 1.3828 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 23.336 and attr rmsd > 22.336)) ( attr rmsd < 0.944 and attr rmsd > 0.844) 6 6 0 peak 22240 ppm1 0.741 ppm2 0.894 volume 1.3828 assi ((( attr rmsd < 0.788) and (attr rmsd > 0.688)) and bondedto(attr rmsd < 70.865 and attr rmsd > 69.865)) ( attr rmsd < 0.796 and attr rmsd > 0.696) 6 6 0 peak 12241 ppm1 0.738 ppm2 0.746 volume 25.1360 assi ((( attr rmsd < 0.788) and (attr rmsd > 0.688)) and bondedto(attr rmsd < 23.345 and attr rmsd > 22.345)) ( attr rmsd < 0.796 and attr rmsd > 0.696) 6 6 0 peak 22241 ppm1 0.738 ppm2 0.746 volume 25.1360 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 70.907 and attr rmsd > 69.907)) ( attr rmsd < 0.263 and attr rmsd > 0.163) 6 6 0 peak 12242 ppm1 0.741 ppm2 0.213 volume 1.2292 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 23.387 and attr rmsd > 22.387)) ( attr rmsd < 0.263 and attr rmsd > 0.163) 6 6 0 peak 22242 ppm1 0.741 ppm2 0.213 volume 1.2292 assi ((( attr rmsd < 4.169) and (attr rmsd > 4.069)) and bondedto(attr rmsd < 46.976 and attr rmsd > 45.976)) ( attr rmsd < 4.167 and attr rmsd > 4.067) 6 6 0 peak 2243 ppm1 4.119 ppm2 4.117 volume 0.1807 assi ((( attr rmsd < 3.770) and (attr rmsd > 3.670)) and bondedto(attr rmsd < 47.018 and attr rmsd > 46.018)) ( attr rmsd < 3.777 and attr rmsd > 3.677) 6 6 0 peak 2244 ppm1 3.720 ppm2 3.727 volume 0.1895 assi ((( attr rmsd < 3.049) and (attr rmsd > 2.949)) and bondedto(attr rmsd < 47.132 and attr rmsd > 46.132)) ( attr rmsd < 3.047 and attr rmsd > 2.947) 6 6 0 peak 2245 ppm1 2.999 ppm2 2.997 volume 0.2524 assi ((( attr rmsd < 1.581) and (attr rmsd > 1.481)) and bondedto(attr rmsd < 47.046 and attr rmsd > 46.046)) ( attr rmsd < 1.784 and attr rmsd > 1.684) 6 6 0 peak 2246 ppm1 1.531 ppm2 1.734 volume 0.1630 assi ((( attr rmsd < 1.080) and (attr rmsd > 0.980)) and bondedto(attr rmsd < 47.046 and attr rmsd > 46.046)) ( attr rmsd < 1.083 and attr rmsd > 0.983) 6 6 0 peak 2247 ppm1 1.030 ppm2 1.033 volume 0.4986 assi ((( attr rmsd < 0.938) and (attr rmsd > 0.838)) and bondedto(attr rmsd < 46.983 and attr rmsd > 45.983)) ( attr rmsd < 0.939 and attr rmsd > 0.839) 6 6 0 peak 2248 ppm1 0.888 ppm2 0.889 volume 0.9353 assi ((( attr rmsd < 3.127) and (attr rmsd > 3.027)) and bondedto(attr rmsd < 70.543 and attr rmsd > 69.543)) ( attr rmsd < 3.149 and attr rmsd > 3.049) 6 6 0 peak 12249 ppm1 3.077 ppm2 3.099 volume 0.1808 assi ((( attr rmsd < 3.127) and (attr rmsd > 3.027)) and bondedto(attr rmsd < 23.023 and attr rmsd > 22.023)) ( attr rmsd < 3.149 and attr rmsd > 3.049) 6 6 0 peak 22249 ppm1 3.077 ppm2 3.099 volume 0.1808 assi ((( attr rmsd < 3.078) and (attr rmsd > 2.978)) and bondedto(attr rmsd < 70.559 and attr rmsd > 69.559)) ( attr rmsd < 3.103 and attr rmsd > 3.003) 6 6 0 peak 12250 ppm1 3.028 ppm2 3.053 volume 0.2932 assi ((( attr rmsd < 3.078) and (attr rmsd > 2.978)) and bondedto(attr rmsd < 23.039 and attr rmsd > 22.039)) ( attr rmsd < 3.103 and attr rmsd > 3.003) 6 6 0 peak 22250 ppm1 3.028 ppm2 3.053 volume 0.2932 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 70.563 and attr rmsd > 69.563)) ( attr rmsd < 0.745 and attr rmsd > 0.645) 6 6 0 peak 12251 ppm1 0.867 ppm2 0.695 volume 1.2527 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 23.043 and attr rmsd > 22.043)) ( attr rmsd < 0.745 and attr rmsd > 0.645) 6 6 0 peak 22251 ppm1 0.867 ppm2 0.695 volume 1.2527 assi ((( attr rmsd < 0.833) and (attr rmsd > 0.733)) and bondedto(attr rmsd < 70.538 and attr rmsd > 69.538)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 12252 ppm1 0.783 ppm2 0.934 volume 0.5664 assi ((( attr rmsd < 0.833) and (attr rmsd > 0.733)) and bondedto(attr rmsd < 23.018 and attr rmsd > 22.018)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 22252 ppm1 0.783 ppm2 0.934 volume 0.5664 assi ((( attr rmsd < 4.890) and (attr rmsd > 4.790)) and bondedto(attr rmsd < 46.844 and attr rmsd > 45.844)) ( attr rmsd < 4.003 and attr rmsd > 3.903) 6 6 0 peak 2253 ppm1 4.840 ppm2 3.953 volume 0.2431 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 46.863 and attr rmsd > 45.863)) ( attr rmsd < 4.007 and attr rmsd > 3.907) 6 6 0 peak 2254 ppm1 4.710 ppm2 3.957 volume 0.2608 assi ((( attr rmsd < 4.016) and (attr rmsd > 3.916)) and bondedto(attr rmsd < 46.877 and attr rmsd > 45.877)) ( attr rmsd < 3.999 and attr rmsd > 3.899) 6 6 0 peak 2255 ppm1 3.966 ppm2 3.949 volume 1.4944 assi ((( attr rmsd < 3.928) and (attr rmsd > 3.828)) and bondedto(attr rmsd < 46.864 and attr rmsd > 45.864)) ( attr rmsd < 4.007 and attr rmsd > 3.907) 6 6 0 peak 2256 ppm1 3.878 ppm2 3.957 volume 1.5554 assi ((( attr rmsd < 3.728) and (attr rmsd > 3.628)) and bondedto(attr rmsd < 46.863 and attr rmsd > 45.863)) ( attr rmsd < 3.649 and attr rmsd > 3.549) 6 6 0 peak 2257 ppm1 3.678 ppm2 3.599 volume 0.2606 assi ((( attr rmsd < 4.942) and (attr rmsd > 4.842)) and bondedto(attr rmsd < 70.387 and attr rmsd > 69.387)) ( attr rmsd < 0.710 and attr rmsd > 0.610) 6 6 0 peak 12258 ppm1 4.892 ppm2 0.660 volume 0.1776 assi ((( attr rmsd < 4.942) and (attr rmsd > 4.842)) and bondedto(attr rmsd < 22.867 and attr rmsd > 21.867)) ( attr rmsd < 0.710 and attr rmsd > 0.610) 6 6 0 peak 22258 ppm1 4.892 ppm2 0.660 volume 0.1776 assi ((( attr rmsd < 4.894) and (attr rmsd > 4.794)) and bondedto(attr rmsd < 70.478 and attr rmsd > 69.478)) ( attr rmsd < 0.836 and attr rmsd > 0.736) 6 6 0 peak 12259 ppm1 4.844 ppm2 0.786 volume 0.4988 assi ((( attr rmsd < 4.894) and (attr rmsd > 4.794)) and bondedto(attr rmsd < 22.958 and attr rmsd > 21.958)) ( attr rmsd < 0.836 and attr rmsd > 0.736) 6 6 0 peak 22259 ppm1 4.844 ppm2 0.786 volume 0.4988 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 70.404 and attr rmsd > 69.404)) ( attr rmsd < 0.707 and attr rmsd > 0.607) 6 6 0 peak 12260 ppm1 4.851 ppm2 0.657 volume 0.3368 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 22.884 and attr rmsd > 21.884)) ( attr rmsd < 0.707 and attr rmsd > 0.607) 6 6 0 peak 22260 ppm1 4.851 ppm2 0.657 volume 0.3368 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 70.406 and attr rmsd > 69.406)) ( attr rmsd < 0.705 and attr rmsd > 0.605) 6 6 0 peak 12261 ppm1 4.713 ppm2 0.655 volume 0.3823 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 22.886 and attr rmsd > 21.886)) ( attr rmsd < 0.705 and attr rmsd > 0.605) 6 6 0 peak 22261 ppm1 4.713 ppm2 0.655 volume 0.3823 assi ((( attr rmsd < 2.147) and (attr rmsd > 2.047)) and bondedto(attr rmsd < 70.490 and attr rmsd > 69.490)) ( attr rmsd < 2.142 and attr rmsd > 2.042) 6 6 0 peak 12262 ppm1 2.097 ppm2 2.092 volume 0.1578 assi ((( attr rmsd < 2.147) and (attr rmsd > 2.047)) and bondedto(attr rmsd < 22.970 and attr rmsd > 21.970)) ( attr rmsd < 2.142 and attr rmsd > 2.042) 6 6 0 peak 22262 ppm1 2.097 ppm2 2.092 volume 0.1578 assi ((( attr rmsd < 1.841) and (attr rmsd > 1.741)) and bondedto(attr rmsd < 70.494 and attr rmsd > 69.494)) ( attr rmsd < 0.935 and attr rmsd > 0.835) 6 6 0 peak 12263 ppm1 1.791 ppm2 0.885 volume 0.1802 assi ((( attr rmsd < 1.841) and (attr rmsd > 1.741)) and bondedto(attr rmsd < 22.974 and attr rmsd > 21.974)) ( attr rmsd < 0.935 and attr rmsd > 0.835) 6 6 0 peak 22263 ppm1 1.791 ppm2 0.885 volume 0.1802 assi ((( attr rmsd < 1.788) and (attr rmsd > 1.688)) and bondedto(attr rmsd < 70.424 and attr rmsd > 69.424)) ( attr rmsd < 0.839 and attr rmsd > 0.739) 6 6 0 peak 12264 ppm1 1.738 ppm2 0.789 volume 0.1554 assi ((( attr rmsd < 1.788) and (attr rmsd > 1.688)) and bondedto(attr rmsd < 22.904 and attr rmsd > 21.904)) ( attr rmsd < 0.839 and attr rmsd > 0.739) 6 6 0 peak 22264 ppm1 1.738 ppm2 0.789 volume 0.1554 assi ((( attr rmsd < 1.782) and (attr rmsd > 1.682)) and bondedto(attr rmsd < 70.462 and attr rmsd > 69.462)) ( attr rmsd < 0.700 and attr rmsd > 0.600) 6 6 0 peak 12265 ppm1 1.732 ppm2 0.650 volume 0.1506 assi ((( attr rmsd < 1.782) and (attr rmsd > 1.682)) and bondedto(attr rmsd < 22.942 and attr rmsd > 21.942)) ( attr rmsd < 0.700 and attr rmsd > 0.600) 6 6 0 peak 22265 ppm1 1.732 ppm2 0.650 volume 0.1506 assi ((( attr rmsd < 1.080) and (attr rmsd > 0.980)) and bondedto(attr rmsd < 70.467 and attr rmsd > 69.467)) ( attr rmsd < 1.047 and attr rmsd > 0.947) 6 6 0 peak 12266 ppm1 1.030 ppm2 0.997 volume 0.2305 assi ((( attr rmsd < 1.080) and (attr rmsd > 0.980)) and bondedto(attr rmsd < 22.947 and attr rmsd > 21.947)) ( attr rmsd < 1.047 and attr rmsd > 0.947) 6 6 0 peak 22266 ppm1 1.030 ppm2 0.997 volume 0.2305 assi ((( attr rmsd < 0.913) and (attr rmsd > 0.813)) and bondedto(attr rmsd < 70.436 and attr rmsd > 69.436)) ( attr rmsd < 4.281 and attr rmsd > 4.181) 6 6 0 peak 12267 ppm1 0.863 ppm2 4.231 volume 1.7148 assi ((( attr rmsd < 0.913) and (attr rmsd > 0.813)) and bondedto(attr rmsd < 22.916 and attr rmsd > 21.916)) ( attr rmsd < 4.281 and attr rmsd > 4.181) 6 6 0 peak 22267 ppm1 0.863 ppm2 4.231 volume 1.7148 assi ((( attr rmsd < 0.912) and (attr rmsd > 0.812)) and bondedto(attr rmsd < 70.439 and attr rmsd > 69.439)) ( attr rmsd < 2.345 and attr rmsd > 2.245) 6 6 0 peak 12268 ppm1 0.862 ppm2 2.295 volume 0.2251 assi ((( attr rmsd < 0.912) and (attr rmsd > 0.812)) and bondedto(attr rmsd < 22.919 and attr rmsd > 21.919)) ( attr rmsd < 2.345 and attr rmsd > 2.245) 6 6 0 peak 22268 ppm1 0.862 ppm2 2.295 volume 0.2251 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 70.427 and attr rmsd > 69.427)) ( attr rmsd < 1.841 and attr rmsd > 1.741) 6 6 0 peak 12269 ppm1 0.864 ppm2 1.791 volume 1.1521 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 22.907 and attr rmsd > 21.907)) ( attr rmsd < 1.841 and attr rmsd > 1.741) 6 6 0 peak 22269 ppm1 0.864 ppm2 1.791 volume 1.1521 assi ((( attr rmsd < 0.911) and (attr rmsd > 0.811)) and bondedto(attr rmsd < 70.381 and attr rmsd > 69.381)) ( attr rmsd < 1.637 and attr rmsd > 1.537) 6 6 0 peak 12270 ppm1 0.861 ppm2 1.587 volume 0.7173 assi ((( attr rmsd < 0.911) and (attr rmsd > 0.811)) and bondedto(attr rmsd < 22.861 and attr rmsd > 21.861)) ( attr rmsd < 1.637 and attr rmsd > 1.537) 6 6 0 peak 22270 ppm1 0.861 ppm2 1.587 volume 0.7173 assi ((( attr rmsd < 0.901) and (attr rmsd > 0.801)) and bondedto(attr rmsd < 70.522 and attr rmsd > 69.522)) ( attr rmsd < 1.214 and attr rmsd > 1.114) 6 6 0 peak 12271 ppm1 0.851 ppm2 1.164 volume 0.2480 assi ((( attr rmsd < 0.901) and (attr rmsd > 0.801)) and bondedto(attr rmsd < 23.002 and attr rmsd > 22.002)) ( attr rmsd < 1.214 and attr rmsd > 1.114) 6 6 0 peak 22271 ppm1 0.851 ppm2 1.164 volume 0.2480 assi ((( attr rmsd < 0.908) and (attr rmsd > 0.808)) and bondedto(attr rmsd < 70.377 and attr rmsd > 69.377)) ( attr rmsd < 1.063 and attr rmsd > 0.963) 6 6 0 peak 12272 ppm1 0.858 ppm2 1.013 volume 0.2875 assi ((( attr rmsd < 0.908) and (attr rmsd > 0.808)) and bondedto(attr rmsd < 22.857 and attr rmsd > 21.857)) ( attr rmsd < 1.063 and attr rmsd > 0.963) 6 6 0 peak 22272 ppm1 0.858 ppm2 1.013 volume 0.2875 assi ((( attr rmsd < 0.836) and (attr rmsd > 0.736)) and bondedto(attr rmsd < 70.519 and attr rmsd > 69.519)) ( attr rmsd < 3.634 and attr rmsd > 3.534) 6 6 0 peak 12273 ppm1 0.786 ppm2 3.584 volume 1.1120 assi ((( attr rmsd < 0.836) and (attr rmsd > 0.736)) and bondedto(attr rmsd < 22.999 and attr rmsd > 21.999)) ( attr rmsd < 3.634 and attr rmsd > 3.534) 6 6 0 peak 22273 ppm1 0.786 ppm2 3.584 volume 1.1120 assi ((( attr rmsd < 0.835) and (attr rmsd > 0.735)) and bondedto(attr rmsd < 70.478 and attr rmsd > 69.478)) ( attr rmsd < 1.803 and attr rmsd > 1.703) 6 6 0 peak 12274 ppm1 0.785 ppm2 1.753 volume 1.4628 assi ((( attr rmsd < 0.835) and (attr rmsd > 0.735)) and bondedto(attr rmsd < 22.958 and attr rmsd > 21.958)) ( attr rmsd < 1.803 and attr rmsd > 1.703) 6 6 0 peak 22274 ppm1 0.785 ppm2 1.753 volume 1.4628 assi ((( attr rmsd < 0.837) and (attr rmsd > 0.737)) and bondedto(attr rmsd < 70.513 and attr rmsd > 69.513)) ( attr rmsd < 0.425 and attr rmsd > 0.325) 6 6 0 peak 12275 ppm1 0.787 ppm2 0.375 volume 1.4531 assi ((( attr rmsd < 0.837) and (attr rmsd > 0.737)) and bondedto(attr rmsd < 22.993 and attr rmsd > 21.993)) ( attr rmsd < 0.425 and attr rmsd > 0.325) 6 6 0 peak 22275 ppm1 0.787 ppm2 0.375 volume 1.4531 assi ((( attr rmsd < 0.829) and (attr rmsd > 0.729)) and bondedto(attr rmsd < 70.500 and attr rmsd > 69.500)) ( attr rmsd < 0.830 and attr rmsd > 0.730) 6 6 0 peak 12276 ppm1 0.779 ppm2 0.780 volume 29.0823 assi ((( attr rmsd < 0.829) and (attr rmsd > 0.729)) and bondedto(attr rmsd < 22.980 and attr rmsd > 21.980)) ( attr rmsd < 0.830 and attr rmsd > 0.730) 6 6 0 peak 22276 ppm1 0.779 ppm2 0.780 volume 29.0823 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 70.450 and attr rmsd > 69.450)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 12277 ppm1 0.647 ppm2 4.104 volume 0.4064 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 22.930 and attr rmsd > 21.930)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 22277 ppm1 0.647 ppm2 4.104 volume 0.4064 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 70.438 and attr rmsd > 69.438)) ( attr rmsd < 3.880 and attr rmsd > 3.780) 6 6 0 peak 12278 ppm1 0.647 ppm2 3.830 volume 1.3711 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 22.918 and attr rmsd > 21.918)) ( attr rmsd < 3.880 and attr rmsd > 3.780) 6 6 0 peak 22278 ppm1 0.647 ppm2 3.830 volume 1.3711 assi ((( attr rmsd < 0.701) and (attr rmsd > 0.601)) and bondedto(attr rmsd < 70.402 and attr rmsd > 69.402)) ( attr rmsd < 2.379 and attr rmsd > 2.279) 6 6 0 peak 12279 ppm1 0.651 ppm2 2.329 volume 0.1832 assi ((( attr rmsd < 0.701) and (attr rmsd > 0.601)) and bondedto(attr rmsd < 22.882 and attr rmsd > 21.882)) ( attr rmsd < 2.379 and attr rmsd > 2.279) 6 6 0 peak 22279 ppm1 0.651 ppm2 2.329 volume 0.1832 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 70.418 and attr rmsd > 69.418)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 12280 ppm1 0.648 ppm2 2.030 volume 0.2938 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 22.898 and attr rmsd > 21.898)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 22280 ppm1 0.648 ppm2 2.030 volume 0.2938 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 70.428 and attr rmsd > 69.428)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 12281 ppm1 0.647 ppm2 1.750 volume 1.7011 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 22.908 and attr rmsd > 21.908)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 22281 ppm1 0.647 ppm2 1.750 volume 1.7011 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 70.427 and attr rmsd > 69.427)) ( attr rmsd < 1.700 and attr rmsd > 1.600) 6 6 0 peak 12282 ppm1 0.647 ppm2 1.650 volume 0.8873 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 22.907 and attr rmsd > 21.907)) ( attr rmsd < 1.700 and attr rmsd > 1.600) 6 6 0 peak 22282 ppm1 0.647 ppm2 1.650 volume 0.8873 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 70.450 and attr rmsd > 69.450)) ( attr rmsd < 1.230 and attr rmsd > 1.130) 6 6 0 peak 12283 ppm1 0.645 ppm2 1.180 volume 0.5277 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 22.930 and attr rmsd > 21.930)) ( attr rmsd < 1.230 and attr rmsd > 1.130) 6 6 0 peak 22283 ppm1 0.645 ppm2 1.180 volume 0.5277 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 70.425 and attr rmsd > 69.425)) ( attr rmsd < 0.861 and attr rmsd > 0.761) 6 6 0 peak 12284 ppm1 0.647 ppm2 0.811 volume 3.5317 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 22.905 and attr rmsd > 21.905)) ( attr rmsd < 0.861 and attr rmsd > 0.761) 6 6 0 peak 22284 ppm1 0.647 ppm2 0.811 volume 3.5317 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 70.427 and attr rmsd > 69.427)) ( attr rmsd < 0.704 and attr rmsd > 0.604) 6 6 0 peak 12285 ppm1 0.647 ppm2 0.654 volume 28.9704 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 22.907 and attr rmsd > 21.907)) ( attr rmsd < 0.704 and attr rmsd > 0.604) 6 6 0 peak 22285 ppm1 0.647 ppm2 0.654 volume 28.9704 assi ((( attr rmsd < 3.260) and (attr rmsd > 3.160)) and bondedto(attr rmsd < 46.671 and attr rmsd > 45.671)) ( attr rmsd < 3.256 and attr rmsd > 3.156) 6 6 0 peak 2286 ppm1 3.210 ppm2 3.206 volume 0.1710 assi ((( attr rmsd < 1.897) and (attr rmsd > 1.797)) and bondedto(attr rmsd < 46.621 and attr rmsd > 45.621)) ( attr rmsd < 0.894 and attr rmsd > 0.794) 6 6 0 peak 2287 ppm1 1.847 ppm2 0.844 volume 0.1751 assi ((( attr rmsd < 1.854) and (attr rmsd > 1.754)) and bondedto(attr rmsd < 46.631 and attr rmsd > 45.631)) ( attr rmsd < 0.833 and attr rmsd > 0.733) 6 6 0 peak 2288 ppm1 1.804 ppm2 0.783 volume 0.2248 assi ((( attr rmsd < 1.165) and (attr rmsd > 1.065)) and bondedto(attr rmsd < 46.696 and attr rmsd > 45.696)) ( attr rmsd < 1.166 and attr rmsd > 1.066) 6 6 0 peak 2289 ppm1 1.115 ppm2 1.116 volume 0.8447 assi ((( attr rmsd < 0.835) and (attr rmsd > 0.735)) and bondedto(attr rmsd < 46.749 and attr rmsd > 45.749)) ( attr rmsd < 0.732 and attr rmsd > 0.632) 6 6 0 peak 2290 ppm1 0.785 ppm2 0.682 volume 2.2036 assi ((( attr rmsd < 0.833) and (attr rmsd > 0.733)) and bondedto(attr rmsd < 46.707 and attr rmsd > 45.707)) ( attr rmsd < 0.662 and attr rmsd > 0.562) 6 6 0 peak 2291 ppm1 0.783 ppm2 0.612 volume 1.0799 assi ((( attr rmsd < 4.808) and (attr rmsd > 4.708)) and bondedto(attr rmsd < 70.295 and attr rmsd > 69.295)) ( attr rmsd < 0.558 and attr rmsd > 0.458) 6 6 0 peak 12292 ppm1 4.758 ppm2 0.508 volume 0.1642 assi ((( attr rmsd < 4.808) and (attr rmsd > 4.708)) and bondedto(attr rmsd < 22.775 and attr rmsd > 21.775)) ( attr rmsd < 0.558 and attr rmsd > 0.458) 6 6 0 peak 22292 ppm1 4.758 ppm2 0.508 volume 0.1642 assi ((( attr rmsd < 4.775) and (attr rmsd > 4.675)) and bondedto(attr rmsd < 70.318 and attr rmsd > 69.318)) ( attr rmsd < 0.906 and attr rmsd > 0.806) 6 6 0 peak 12293 ppm1 4.725 ppm2 0.856 volume 0.3094 assi ((( attr rmsd < 4.775) and (attr rmsd > 4.675)) and bondedto(attr rmsd < 22.798 and attr rmsd > 21.798)) ( attr rmsd < 0.906 and attr rmsd > 0.806) 6 6 0 peak 22293 ppm1 4.725 ppm2 0.856 volume 0.3094 assi ((( attr rmsd < 4.620) and (attr rmsd > 4.520)) and bondedto(attr rmsd < 70.181 and attr rmsd > 69.181)) ( attr rmsd < 1.211 and attr rmsd > 1.111) 6 6 0 peak 12294 ppm1 4.570 ppm2 1.161 volume 0.1784 assi ((( attr rmsd < 4.620) and (attr rmsd > 4.520)) and bondedto(attr rmsd < 22.661 and attr rmsd > 21.661)) ( attr rmsd < 1.211 and attr rmsd > 1.111) 6 6 0 peak 22294 ppm1 4.570 ppm2 1.161 volume 0.1784 assi ((( attr rmsd < 0.909) and (attr rmsd > 0.809)) and bondedto(attr rmsd < 70.303 and attr rmsd > 69.303)) ( attr rmsd < 0.910 and attr rmsd > 0.810) 6 6 0 peak 12295 ppm1 0.859 ppm2 0.860 volume 23.1794 assi ((( attr rmsd < 0.909) and (attr rmsd > 0.809)) and bondedto(attr rmsd < 22.783 and attr rmsd > 21.783)) ( attr rmsd < 0.910 and attr rmsd > 0.810) 6 6 0 peak 22295 ppm1 0.859 ppm2 0.860 volume 23.1794 assi ((( attr rmsd < 0.691) and (attr rmsd > 0.591)) and bondedto(attr rmsd < 70.346 and attr rmsd > 69.346)) ( attr rmsd < 5.069 and attr rmsd > 4.969) 6 6 0 peak 12296 ppm1 0.641 ppm2 5.019 volume 0.1611 assi ((( attr rmsd < 0.691) and (attr rmsd > 0.591)) and bondedto(attr rmsd < 22.826 and attr rmsd > 21.826)) ( attr rmsd < 5.069 and attr rmsd > 4.969) 6 6 0 peak 22296 ppm1 0.641 ppm2 5.019 volume 0.1611 assi ((( attr rmsd < 0.561) and (attr rmsd > 0.461)) and bondedto(attr rmsd < 70.312 and attr rmsd > 69.312)) ( attr rmsd < 5.008 and attr rmsd > 4.908) 6 6 0 peak 12297 ppm1 0.511 ppm2 4.958 volume 0.1884 assi ((( attr rmsd < 0.561) and (attr rmsd > 0.461)) and bondedto(attr rmsd < 22.792 and attr rmsd > 21.792)) ( attr rmsd < 5.008 and attr rmsd > 4.908) 6 6 0 peak 22297 ppm1 0.511 ppm2 4.958 volume 0.1884 assi ((( attr rmsd < 0.553) and (attr rmsd > 0.453)) and bondedto(attr rmsd < 70.304 and attr rmsd > 69.304)) ( attr rmsd < 4.797 and attr rmsd > 4.697) 6 6 0 peak 12298 ppm1 0.503 ppm2 4.747 volume 0.6657 assi ((( attr rmsd < 0.553) and (attr rmsd > 0.453)) and bondedto(attr rmsd < 22.784 and attr rmsd > 21.784)) ( attr rmsd < 4.797 and attr rmsd > 4.697) 6 6 0 peak 22298 ppm1 0.503 ppm2 4.747 volume 0.6657 assi ((( attr rmsd < 0.555) and (attr rmsd > 0.455)) and bondedto(attr rmsd < 70.328 and attr rmsd > 69.328)) ( attr rmsd < 4.659 and attr rmsd > 4.559) 6 6 0 peak 12299 ppm1 0.505 ppm2 4.609 volume 0.2070 assi ((( attr rmsd < 0.555) and (attr rmsd > 0.455)) and bondedto(attr rmsd < 22.808 and attr rmsd > 21.808)) ( attr rmsd < 4.659 and attr rmsd > 4.559) 6 6 0 peak 22299 ppm1 0.505 ppm2 4.609 volume 0.2070 assi ((( attr rmsd < 0.555) and (attr rmsd > 0.455)) and bondedto(attr rmsd < 70.319 and attr rmsd > 69.319)) ( attr rmsd < 4.528 and attr rmsd > 4.428) 6 6 0 peak 12300 ppm1 0.505 ppm2 4.478 volume 0.1664 assi ((( attr rmsd < 0.555) and (attr rmsd > 0.455)) and bondedto(attr rmsd < 22.799 and attr rmsd > 21.799)) ( attr rmsd < 4.528 and attr rmsd > 4.428) 6 6 0 peak 22300 ppm1 0.505 ppm2 4.478 volume 0.1664 assi ((( attr rmsd < 0.554) and (attr rmsd > 0.454)) and bondedto(attr rmsd < 70.337 and attr rmsd > 69.337)) ( attr rmsd < 4.247 and attr rmsd > 4.147) 6 6 0 peak 12301 ppm1 0.504 ppm2 4.197 volume 0.2009 assi ((( attr rmsd < 0.554) and (attr rmsd > 0.454)) and bondedto(attr rmsd < 22.817 and attr rmsd > 21.817)) ( attr rmsd < 4.247 and attr rmsd > 4.147) 6 6 0 peak 22301 ppm1 0.504 ppm2 4.197 volume 0.2009 assi ((( attr rmsd < 0.556) and (attr rmsd > 0.456)) and bondedto(attr rmsd < 70.313 and attr rmsd > 69.313)) ( attr rmsd < 3.715 and attr rmsd > 3.615) 6 6 0 peak 12302 ppm1 0.506 ppm2 3.665 volume 0.6143 assi ((( attr rmsd < 0.556) and (attr rmsd > 0.456)) and bondedto(attr rmsd < 22.793 and attr rmsd > 21.793)) ( attr rmsd < 3.715 and attr rmsd > 3.615) 6 6 0 peak 22302 ppm1 0.506 ppm2 3.665 volume 0.6143 assi ((( attr rmsd < 0.556) and (attr rmsd > 0.456)) and bondedto(attr rmsd < 70.318 and attr rmsd > 69.318)) ( attr rmsd < 3.566 and attr rmsd > 3.466) 6 6 0 peak 12303 ppm1 0.506 ppm2 3.516 volume 0.7725 assi ((( attr rmsd < 0.556) and (attr rmsd > 0.456)) and bondedto(attr rmsd < 22.798 and attr rmsd > 21.798)) ( attr rmsd < 3.566 and attr rmsd > 3.466) 6 6 0 peak 22303 ppm1 0.506 ppm2 3.516 volume 0.7725 assi ((( attr rmsd < 0.553) and (attr rmsd > 0.453)) and bondedto(attr rmsd < 70.312 and attr rmsd > 69.312)) ( attr rmsd < 2.328 and attr rmsd > 2.228) 6 6 0 peak 12304 ppm1 0.503 ppm2 2.278 volume 0.8169 assi ((( attr rmsd < 0.553) and (attr rmsd > 0.453)) and bondedto(attr rmsd < 22.792 and attr rmsd > 21.792)) ( attr rmsd < 2.328 and attr rmsd > 2.228) 6 6 0 peak 22304 ppm1 0.503 ppm2 2.278 volume 0.8169 assi ((( attr rmsd < 0.555) and (attr rmsd > 0.455)) and bondedto(attr rmsd < 70.297 and attr rmsd > 69.297)) ( attr rmsd < 1.782 and attr rmsd > 1.682) 6 6 0 peak 12305 ppm1 0.505 ppm2 1.732 volume 0.3723 assi ((( attr rmsd < 0.555) and (attr rmsd > 0.455)) and bondedto(attr rmsd < 22.777 and attr rmsd > 21.777)) ( attr rmsd < 1.782 and attr rmsd > 1.682) 6 6 0 peak 22305 ppm1 0.505 ppm2 1.732 volume 0.3723 assi ((( attr rmsd < 0.557) and (attr rmsd > 0.457)) and bondedto(attr rmsd < 70.322 and attr rmsd > 69.322)) ( attr rmsd < 1.481 and attr rmsd > 1.381) 6 6 0 peak 12306 ppm1 0.507 ppm2 1.431 volume 0.6009 assi ((( attr rmsd < 0.557) and (attr rmsd > 0.457)) and bondedto(attr rmsd < 22.802 and attr rmsd > 21.802)) ( attr rmsd < 1.481 and attr rmsd > 1.381) 6 6 0 peak 22306 ppm1 0.507 ppm2 1.431 volume 0.6009 assi ((( attr rmsd < 0.554) and (attr rmsd > 0.454)) and bondedto(attr rmsd < 70.318 and attr rmsd > 69.318)) ( attr rmsd < 1.265 and attr rmsd > 1.165) 6 6 0 peak 12307 ppm1 0.504 ppm2 1.215 volume 1.2061 assi ((( attr rmsd < 0.554) and (attr rmsd > 0.454)) and bondedto(attr rmsd < 22.798 and attr rmsd > 21.798)) ( attr rmsd < 1.265 and attr rmsd > 1.165) 6 6 0 peak 22307 ppm1 0.504 ppm2 1.215 volume 1.2061 assi ((( attr rmsd < 0.559) and (attr rmsd > 0.459)) and bondedto(attr rmsd < 70.244 and attr rmsd > 69.244)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 12308 ppm1 0.509 ppm2 0.840 volume 0.3636 assi ((( attr rmsd < 0.559) and (attr rmsd > 0.459)) and bondedto(attr rmsd < 22.724 and attr rmsd > 21.724)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 22308 ppm1 0.509 ppm2 0.840 volume 0.3636 assi ((( attr rmsd < 0.557) and (attr rmsd > 0.457)) and bondedto(attr rmsd < 70.296 and attr rmsd > 69.296)) ( attr rmsd < 0.773 and attr rmsd > 0.673) 6 6 0 peak 12309 ppm1 0.507 ppm2 0.723 volume 1.8114 assi ((( attr rmsd < 0.557) and (attr rmsd > 0.457)) and bondedto(attr rmsd < 22.776 and attr rmsd > 21.776)) ( attr rmsd < 0.773 and attr rmsd > 0.673) 6 6 0 peak 22309 ppm1 0.507 ppm2 0.723 volume 1.8114 assi ((( attr rmsd < 0.553) and (attr rmsd > 0.453)) and bondedto(attr rmsd < 70.305 and attr rmsd > 69.305)) ( attr rmsd < 0.559 and attr rmsd > 0.459) 6 6 0 peak 12310 ppm1 0.503 ppm2 0.509 volume 14.5849 assi ((( attr rmsd < 0.553) and (attr rmsd > 0.453)) and bondedto(attr rmsd < 22.785 and attr rmsd > 21.785)) ( attr rmsd < 0.559 and attr rmsd > 0.459) 6 6 0 peak 22310 ppm1 0.503 ppm2 0.509 volume 14.5849 assi ((( attr rmsd < 1.010) and (attr rmsd > 0.910)) and bondedto(attr rmsd < 46.413 and attr rmsd > 45.413)) ( attr rmsd < 1.676 and attr rmsd > 1.576) 6 6 0 peak 2311 ppm1 0.960 ppm2 1.626 volume 0.1569 assi ((( attr rmsd < 0.994) and (attr rmsd > 0.894)) and bondedto(attr rmsd < 46.480 and attr rmsd > 45.480)) ( attr rmsd < 1.950 and attr rmsd > 1.850) 6 6 0 peak 2312 ppm1 0.944 ppm2 1.900 volume 0.1691 assi ((( attr rmsd < 1.002) and (attr rmsd > 0.902)) and bondedto(attr rmsd < 46.476 and attr rmsd > 45.476)) ( attr rmsd < 1.621 and attr rmsd > 1.521) 6 6 0 peak 2313 ppm1 0.952 ppm2 1.571 volume 0.1578 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 46.501 and attr rmsd > 45.501)) ( attr rmsd < 1.033 and attr rmsd > 0.933) 6 6 0 peak 2314 ppm1 0.886 ppm2 0.983 volume 0.7356 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 46.537 and attr rmsd > 45.537)) ( attr rmsd < 0.815 and attr rmsd > 0.715) 6 6 0 peak 2315 ppm1 0.864 ppm2 0.765 volume 1.8859 assi ((( attr rmsd < 4.775) and (attr rmsd > 4.675)) and bondedto(attr rmsd < 70.064 and attr rmsd > 69.064)) ( attr rmsd < 1.287 and attr rmsd > 1.187) 6 6 0 peak 12316 ppm1 4.725 ppm2 1.237 volume 0.2595 assi ((( attr rmsd < 4.775) and (attr rmsd > 4.675)) and bondedto(attr rmsd < 22.544 and attr rmsd > 21.544)) ( attr rmsd < 1.287 and attr rmsd > 1.187) 6 6 0 peak 22316 ppm1 4.725 ppm2 1.237 volume 0.2595 assi ((( attr rmsd < 4.747) and (attr rmsd > 4.647)) and bondedto(attr rmsd < 70.105 and attr rmsd > 69.105)) ( attr rmsd < 4.776 and attr rmsd > 4.676) 6 6 0 peak 12317 ppm1 4.697 ppm2 4.726 volume 0.2075 assi ((( attr rmsd < 4.747) and (attr rmsd > 4.647)) and bondedto(attr rmsd < 22.585 and attr rmsd > 21.585)) ( attr rmsd < 4.776 and attr rmsd > 4.676) 6 6 0 peak 22317 ppm1 4.697 ppm2 4.726 volume 0.2075 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 70.097 and attr rmsd > 69.097)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 12318 ppm1 3.581 ppm2 3.594 volume 0.1539 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 22.577 and attr rmsd > 21.577)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 22318 ppm1 3.581 ppm2 3.594 volume 0.1539 assi ((( attr rmsd < 3.276) and (attr rmsd > 3.176)) and bondedto(attr rmsd < 70.024 and attr rmsd > 69.024)) ( attr rmsd < 3.284 and attr rmsd > 3.184) 6 6 0 peak 12319 ppm1 3.226 ppm2 3.234 volume 0.1955 assi ((( attr rmsd < 3.276) and (attr rmsd > 3.176)) and bondedto(attr rmsd < 22.504 and attr rmsd > 21.504)) ( attr rmsd < 3.284 and attr rmsd > 3.184) 6 6 0 peak 22319 ppm1 3.226 ppm2 3.234 volume 0.1955 assi ((( attr rmsd < 1.272) and (attr rmsd > 1.172)) and bondedto(attr rmsd < 70.111 and attr rmsd > 69.111)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 12320 ppm1 1.222 ppm2 4.775 volume 1.4985 assi ((( attr rmsd < 1.272) and (attr rmsd > 1.172)) and bondedto(attr rmsd < 22.591 and attr rmsd > 21.591)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 22320 ppm1 1.222 ppm2 4.775 volume 1.4985 assi ((( attr rmsd < 1.274) and (attr rmsd > 1.174)) and bondedto(attr rmsd < 70.083 and attr rmsd > 69.083)) ( attr rmsd < 4.599 and attr rmsd > 4.499) 6 6 0 peak 12321 ppm1 1.224 ppm2 4.549 volume 1.9640 assi ((( attr rmsd < 1.274) and (attr rmsd > 1.174)) and bondedto(attr rmsd < 22.563 and attr rmsd > 21.563)) ( attr rmsd < 4.599 and attr rmsd > 4.499) 6 6 0 peak 22321 ppm1 1.224 ppm2 4.549 volume 1.9640 assi ((( attr rmsd < 1.277) and (attr rmsd > 1.177)) and bondedto(attr rmsd < 70.085 and attr rmsd > 69.085)) ( attr rmsd < 4.116 and attr rmsd > 4.016) 6 6 0 peak 12322 ppm1 1.227 ppm2 4.066 volume 1.8248 assi ((( attr rmsd < 1.277) and (attr rmsd > 1.177)) and bondedto(attr rmsd < 22.565 and attr rmsd > 21.565)) ( attr rmsd < 4.116 and attr rmsd > 4.016) 6 6 0 peak 22322 ppm1 1.227 ppm2 4.066 volume 1.8248 assi ((( attr rmsd < 1.274) and (attr rmsd > 1.174)) and bondedto(attr rmsd < 70.105 and attr rmsd > 69.105)) ( attr rmsd < 3.030 and attr rmsd > 2.930) 6 6 0 peak 12323 ppm1 1.224 ppm2 2.980 volume 0.1864 assi ((( attr rmsd < 1.274) and (attr rmsd > 1.174)) and bondedto(attr rmsd < 22.585 and attr rmsd > 21.585)) ( attr rmsd < 3.030 and attr rmsd > 2.930) 6 6 0 peak 22323 ppm1 1.224 ppm2 2.980 volume 0.1864 assi ((( attr rmsd < 1.276) and (attr rmsd > 1.176)) and bondedto(attr rmsd < 70.074 and attr rmsd > 69.074)) ( attr rmsd < 1.421 and attr rmsd > 1.321) 6 6 0 peak 12324 ppm1 1.226 ppm2 1.371 volume 0.5629 assi ((( attr rmsd < 1.276) and (attr rmsd > 1.176)) and bondedto(attr rmsd < 22.554 and attr rmsd > 21.554)) ( attr rmsd < 1.421 and attr rmsd > 1.321) 6 6 0 peak 22324 ppm1 1.226 ppm2 1.371 volume 0.5629 assi ((( attr rmsd < 1.238) and (attr rmsd > 1.138)) and bondedto(attr rmsd < 70.068 and attr rmsd > 69.068)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 12325 ppm1 1.188 ppm2 4.774 volume 1.3646 assi ((( attr rmsd < 1.238) and (attr rmsd > 1.138)) and bondedto(attr rmsd < 22.548 and attr rmsd > 21.548)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 22325 ppm1 1.188 ppm2 4.774 volume 1.3646 assi ((( attr rmsd < 1.235) and (attr rmsd > 1.135)) and bondedto(attr rmsd < 70.058 and attr rmsd > 69.058)) ( attr rmsd < 4.627 and attr rmsd > 4.527) 6 6 0 peak 12326 ppm1 1.185 ppm2 4.577 volume 1.7107 assi ((( attr rmsd < 1.235) and (attr rmsd > 1.135)) and bondedto(attr rmsd < 22.538 and attr rmsd > 21.538)) ( attr rmsd < 4.627 and attr rmsd > 4.527) 6 6 0 peak 22326 ppm1 1.185 ppm2 4.577 volume 1.7107 assi ((( attr rmsd < 1.229) and (attr rmsd > 1.129)) and bondedto(attr rmsd < 70.081 and attr rmsd > 69.081)) ( attr rmsd < 4.478 and attr rmsd > 4.378) 6 6 0 peak 12327 ppm1 1.179 ppm2 4.428 volume 1.0483 assi ((( attr rmsd < 1.229) and (attr rmsd > 1.129)) and bondedto(attr rmsd < 22.561 and attr rmsd > 21.561)) ( attr rmsd < 4.478 and attr rmsd > 4.378) 6 6 0 peak 22327 ppm1 1.179 ppm2 4.428 volume 1.0483 assi ((( attr rmsd < 1.232) and (attr rmsd > 1.132)) and bondedto(attr rmsd < 70.067 and attr rmsd > 69.067)) ( attr rmsd < 2.193 and attr rmsd > 2.093) 6 6 0 peak 12328 ppm1 1.182 ppm2 2.143 volume 0.1993 assi ((( attr rmsd < 1.232) and (attr rmsd > 1.132)) and bondedto(attr rmsd < 22.547 and attr rmsd > 21.547)) ( attr rmsd < 2.193 and attr rmsd > 2.093) 6 6 0 peak 22328 ppm1 1.182 ppm2 2.143 volume 0.1993 assi ((( attr rmsd < 1.233) and (attr rmsd > 1.133)) and bondedto(attr rmsd < 70.056 and attr rmsd > 69.056)) ( attr rmsd < 2.074 and attr rmsd > 1.974) 6 6 0 peak 12329 ppm1 1.183 ppm2 2.024 volume 0.3108 assi ((( attr rmsd < 1.233) and (attr rmsd > 1.133)) and bondedto(attr rmsd < 22.536 and attr rmsd > 21.536)) ( attr rmsd < 2.074 and attr rmsd > 1.974) 6 6 0 peak 22329 ppm1 1.183 ppm2 2.024 volume 0.3108 assi ((( attr rmsd < 1.065) and (attr rmsd > 0.965)) and bondedto(attr rmsd < 70.023 and attr rmsd > 69.023)) ( attr rmsd < 0.970 and attr rmsd > 0.870) 6 6 0 peak 12330 ppm1 1.015 ppm2 0.920 volume 0.5212 assi ((( attr rmsd < 1.065) and (attr rmsd > 0.965)) and bondedto(attr rmsd < 22.503 and attr rmsd > 21.503)) ( attr rmsd < 0.970 and attr rmsd > 0.870) 6 6 0 peak 22330 ppm1 1.015 ppm2 0.920 volume 0.5212 assi ((( attr rmsd < 0.987) and (attr rmsd > 0.887)) and bondedto(attr rmsd < 70.104 and attr rmsd > 69.104)) ( attr rmsd < 0.891 and attr rmsd > 0.791) 6 6 0 peak 12331 ppm1 0.937 ppm2 0.841 volume 1.0467 assi ((( attr rmsd < 0.987) and (attr rmsd > 0.887)) and bondedto(attr rmsd < 22.584 and attr rmsd > 21.584)) ( attr rmsd < 0.891 and attr rmsd > 0.791) 6 6 0 peak 22331 ppm1 0.937 ppm2 0.841 volume 1.0467 assi ((( attr rmsd < 0.769) and (attr rmsd > 0.669)) and bondedto(attr rmsd < 70.019 and attr rmsd > 69.019)) ( attr rmsd < 5.021 and attr rmsd > 4.921) 6 6 0 peak 12332 ppm1 0.719 ppm2 4.971 volume 0.6208 assi ((( attr rmsd < 0.769) and (attr rmsd > 0.669)) and bondedto(attr rmsd < 22.499 and attr rmsd > 21.499)) ( attr rmsd < 5.021 and attr rmsd > 4.921) 6 6 0 peak 22332 ppm1 0.719 ppm2 4.971 volume 0.6208 assi ((( attr rmsd < 0.773) and (attr rmsd > 0.673)) and bondedto(attr rmsd < 70.033 and attr rmsd > 69.033)) ( attr rmsd < 2.498 and attr rmsd > 2.398) 6 6 0 peak 12333 ppm1 0.723 ppm2 2.448 volume 0.4177 assi ((( attr rmsd < 0.773) and (attr rmsd > 0.673)) and bondedto(attr rmsd < 22.513 and attr rmsd > 21.513)) ( attr rmsd < 2.498 and attr rmsd > 2.398) 6 6 0 peak 22333 ppm1 0.723 ppm2 2.448 volume 0.4177 assi ((( attr rmsd < 0.771) and (attr rmsd > 0.671)) and bondedto(attr rmsd < 69.983 and attr rmsd > 68.983)) ( attr rmsd < 1.493 and attr rmsd > 1.393) 6 6 0 peak 12334 ppm1 0.721 ppm2 1.443 volume 0.9480 assi ((( attr rmsd < 0.771) and (attr rmsd > 0.671)) and bondedto(attr rmsd < 22.463 and attr rmsd > 21.463)) ( attr rmsd < 1.493 and attr rmsd > 1.393) 6 6 0 peak 22334 ppm1 0.721 ppm2 1.443 volume 0.9480 assi ((( attr rmsd < 0.766) and (attr rmsd > 0.666)) and bondedto(attr rmsd < 70.056 and attr rmsd > 69.056)) ( attr rmsd < 3.833 and attr rmsd > 3.733) 6 6 0 peak 12335 ppm1 0.716 ppm2 3.783 volume 0.1522 assi ((( attr rmsd < 0.766) and (attr rmsd > 0.666)) and bondedto(attr rmsd < 22.536 and attr rmsd > 21.536)) ( attr rmsd < 3.833 and attr rmsd > 3.733) 6 6 0 peak 22335 ppm1 0.716 ppm2 3.783 volume 0.1522 assi ((( attr rmsd < 0.768) and (attr rmsd > 0.668)) and bondedto(attr rmsd < 69.986 and attr rmsd > 68.986)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 12336 ppm1 0.718 ppm2 2.274 volume 1.0936 assi ((( attr rmsd < 0.768) and (attr rmsd > 0.668)) and bondedto(attr rmsd < 22.466 and attr rmsd > 21.466)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 22336 ppm1 0.718 ppm2 2.274 volume 1.0936 assi ((( attr rmsd < 0.767) and (attr rmsd > 0.667)) and bondedto(attr rmsd < 69.995 and attr rmsd > 68.995)) ( attr rmsd < 1.343 and attr rmsd > 1.243) 6 6 0 peak 12337 ppm1 0.717 ppm2 1.293 volume 1.9067 assi ((( attr rmsd < 0.767) and (attr rmsd > 0.667)) and bondedto(attr rmsd < 22.475 and attr rmsd > 21.475)) ( attr rmsd < 1.343 and attr rmsd > 1.243) 6 6 0 peak 22337 ppm1 0.717 ppm2 1.293 volume 1.9067 assi ((( attr rmsd < 0.766) and (attr rmsd > 0.666)) and bondedto(attr rmsd < 69.993 and attr rmsd > 68.993)) ( attr rmsd < 0.552 and attr rmsd > 0.452) 6 6 0 peak 12338 ppm1 0.716 ppm2 0.502 volume 0.5286 assi ((( attr rmsd < 0.766) and (attr rmsd > 0.666)) and bondedto(attr rmsd < 22.473 and attr rmsd > 21.473)) ( attr rmsd < 0.552 and attr rmsd > 0.452) 6 6 0 peak 22338 ppm1 0.716 ppm2 0.502 volume 0.5286 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 46.316 and attr rmsd > 45.316)) ( attr rmsd < 4.773 and attr rmsd > 4.673) 6 6 0 peak 2339 ppm1 4.852 ppm2 4.723 volume 0.1477 assi ((( attr rmsd < 4.862) and (attr rmsd > 4.762)) and bondedto(attr rmsd < 46.251 and attr rmsd > 45.251)) ( attr rmsd < 1.268 and attr rmsd > 1.168) 6 6 0 peak 2340 ppm1 4.812 ppm2 1.218 volume 0.3640 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 46.227 and attr rmsd > 45.227)) ( attr rmsd < 1.260 and attr rmsd > 1.160) 6 6 0 peak 2341 ppm1 4.676 ppm2 1.210 volume 0.5912 assi ((( attr rmsd < 3.060) and (attr rmsd > 2.960)) and bondedto(attr rmsd < 46.295 and attr rmsd > 45.295)) ( attr rmsd < 3.062 and attr rmsd > 2.962) 6 6 0 peak 2342 ppm1 3.010 ppm2 3.012 volume 0.5583 assi ((( attr rmsd < 2.181) and (attr rmsd > 2.081)) and bondedto(attr rmsd < 46.228 and attr rmsd > 45.228)) ( attr rmsd < 0.781 and attr rmsd > 0.681) 6 6 0 peak 2343 ppm1 2.131 ppm2 0.731 volume 0.1655 assi ((( attr rmsd < 2.174) and (attr rmsd > 2.074)) and bondedto(attr rmsd < 46.317 and attr rmsd > 45.317)) ( attr rmsd < 2.177 and attr rmsd > 2.077) 6 6 0 peak 2344 ppm1 2.124 ppm2 2.127 volume 0.3568 assi ((( attr rmsd < 1.578) and (attr rmsd > 1.478)) and bondedto(attr rmsd < 46.323 and attr rmsd > 45.323)) ( attr rmsd < 1.594 and attr rmsd > 1.494) 6 6 0 peak 2345 ppm1 1.528 ppm2 1.544 volume 0.1755 assi ((( attr rmsd < 1.281) and (attr rmsd > 1.181)) and bondedto(attr rmsd < 46.246 and attr rmsd > 45.246)) ( attr rmsd < 1.388 and attr rmsd > 1.288) 6 6 0 peak 2346 ppm1 1.231 ppm2 1.338 volume 0.5225 assi ((( attr rmsd < 1.264) and (attr rmsd > 1.164)) and bondedto(attr rmsd < 46.278 and attr rmsd > 45.278)) ( attr rmsd < 1.162 and attr rmsd > 1.062) 6 6 0 peak 2347 ppm1 1.214 ppm2 1.112 volume 3.4847 assi ((( attr rmsd < 1.010) and (attr rmsd > 0.910)) and bondedto(attr rmsd < 46.360 and attr rmsd > 45.360)) ( attr rmsd < 2.102 and attr rmsd > 2.002) 6 6 0 peak 2348 ppm1 0.960 ppm2 2.052 volume 0.1641 assi ((( attr rmsd < 1.010) and (attr rmsd > 0.910)) and bondedto(attr rmsd < 46.381 and attr rmsd > 45.381)) ( attr rmsd < 1.815 and attr rmsd > 1.715) 6 6 0 peak 2349 ppm1 0.960 ppm2 1.765 volume 0.1450 assi ((( attr rmsd < 1.016) and (attr rmsd > 0.916)) and bondedto(attr rmsd < 46.292 and attr rmsd > 45.292)) ( attr rmsd < 1.353 and attr rmsd > 1.253) 6 6 0 peak 2350 ppm1 0.966 ppm2 1.303 volume 0.1717 assi ((( attr rmsd < 1.005) and (attr rmsd > 0.905)) and bondedto(attr rmsd < 46.348 and attr rmsd > 45.348)) ( attr rmsd < 1.013 and attr rmsd > 0.913) 6 6 0 peak 2351 ppm1 0.955 ppm2 0.963 volume 8.8978 assi ((( attr rmsd < 0.767) and (attr rmsd > 0.667)) and bondedto(attr rmsd < 46.254 and attr rmsd > 45.254)) ( attr rmsd < 0.652 and attr rmsd > 0.552) 6 6 0 peak 2352 ppm1 0.717 ppm2 0.602 volume 2.0601 assi ((( attr rmsd < 5.021) and (attr rmsd > 4.921)) and bondedto(attr rmsd < 69.876 and attr rmsd > 68.876)) ( attr rmsd < 1.252 and attr rmsd > 1.152) 6 6 0 peak 12353 ppm1 4.971 ppm2 1.202 volume 0.2225 assi ((( attr rmsd < 5.021) and (attr rmsd > 4.921)) and bondedto(attr rmsd < 22.356 and attr rmsd > 21.356)) ( attr rmsd < 1.252 and attr rmsd > 1.152) 6 6 0 peak 22353 ppm1 4.971 ppm2 1.202 volume 0.2225 assi ((( attr rmsd < 4.946) and (attr rmsd > 4.846)) and bondedto(attr rmsd < 69.924 and attr rmsd > 68.924)) ( attr rmsd < 1.248 and attr rmsd > 1.148) 6 6 0 peak 12354 ppm1 4.896 ppm2 1.198 volume 0.4120 assi ((( attr rmsd < 4.946) and (attr rmsd > 4.846)) and bondedto(attr rmsd < 22.404 and attr rmsd > 21.404)) ( attr rmsd < 1.248 and attr rmsd > 1.148) 6 6 0 peak 22354 ppm1 4.896 ppm2 1.198 volume 0.4120 assi ((( attr rmsd < 4.907) and (attr rmsd > 4.807)) and bondedto(attr rmsd < 69.912 and attr rmsd > 68.912)) ( attr rmsd < 1.244 and attr rmsd > 1.144) 6 6 0 peak 12355 ppm1 4.857 ppm2 1.194 volume 0.5586 assi ((( attr rmsd < 4.907) and (attr rmsd > 4.807)) and bondedto(attr rmsd < 22.392 and attr rmsd > 21.392)) ( attr rmsd < 1.244 and attr rmsd > 1.144) 6 6 0 peak 22355 ppm1 4.857 ppm2 1.194 volume 0.5586 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 69.904 and attr rmsd > 68.904)) ( attr rmsd < 0.634 and attr rmsd > 0.534) 6 6 0 peak 12356 ppm1 4.835 ppm2 0.584 volume 0.3091 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 22.384 and attr rmsd > 21.384)) ( attr rmsd < 0.634 and attr rmsd > 0.534) 6 6 0 peak 22356 ppm1 4.835 ppm2 0.584 volume 0.3091 assi ((( attr rmsd < 4.835) and (attr rmsd > 4.735)) and bondedto(attr rmsd < 69.947 and attr rmsd > 68.947)) ( attr rmsd < 0.779 and attr rmsd > 0.679) 6 6 0 peak 12357 ppm1 4.785 ppm2 0.729 volume 0.4591 assi ((( attr rmsd < 4.835) and (attr rmsd > 4.735)) and bondedto(attr rmsd < 22.427 and attr rmsd > 21.427)) ( attr rmsd < 0.779 and attr rmsd > 0.679) 6 6 0 peak 22357 ppm1 4.785 ppm2 0.729 volume 0.4591 assi ((( attr rmsd < 4.314) and (attr rmsd > 4.214)) and bondedto(attr rmsd < 69.966 and attr rmsd > 68.966)) ( attr rmsd < 4.322 and attr rmsd > 4.222) 6 6 0 peak 12358 ppm1 4.264 ppm2 4.272 volume 0.4666 assi ((( attr rmsd < 4.314) and (attr rmsd > 4.214)) and bondedto(attr rmsd < 22.446 and attr rmsd > 21.446)) ( attr rmsd < 4.322 and attr rmsd > 4.222) 6 6 0 peak 22358 ppm1 4.264 ppm2 4.272 volume 0.4666 assi ((( attr rmsd < 1.826) and (attr rmsd > 1.726)) and bondedto(attr rmsd < 69.903 and attr rmsd > 68.903)) ( attr rmsd < 0.627 and attr rmsd > 0.527) 6 6 0 peak 12359 ppm1 1.776 ppm2 0.577 volume 0.1534 assi ((( attr rmsd < 1.826) and (attr rmsd > 1.726)) and bondedto(attr rmsd < 22.383 and attr rmsd > 21.383)) ( attr rmsd < 0.627 and attr rmsd > 0.527) 6 6 0 peak 22359 ppm1 1.776 ppm2 0.577 volume 0.1534 assi ((( attr rmsd < 1.239) and (attr rmsd > 1.139)) and bondedto(attr rmsd < 69.960 and attr rmsd > 68.960)) ( attr rmsd < 1.251 and attr rmsd > 1.151) 6 6 0 peak 12360 ppm1 1.189 ppm2 1.201 volume 44.3787 assi ((( attr rmsd < 1.239) and (attr rmsd > 1.139)) and bondedto(attr rmsd < 22.440 and attr rmsd > 21.440)) ( attr rmsd < 1.251 and attr rmsd > 1.151) 6 6 0 peak 22360 ppm1 1.189 ppm2 1.201 volume 44.3787 assi ((( attr rmsd < 1.232) and (attr rmsd > 1.132)) and bondedto(attr rmsd < 69.831 and attr rmsd > 68.831)) ( attr rmsd < 1.379 and attr rmsd > 1.279) 6 6 0 peak 12361 ppm1 1.182 ppm2 1.329 volume 0.6686 assi ((( attr rmsd < 1.232) and (attr rmsd > 1.132)) and bondedto(attr rmsd < 22.311 and attr rmsd > 21.311)) ( attr rmsd < 1.379 and attr rmsd > 1.279) 6 6 0 peak 22361 ppm1 1.182 ppm2 1.329 volume 0.6686 assi ((( attr rmsd < 0.789) and (attr rmsd > 0.689)) and bondedto(attr rmsd < 69.899 and attr rmsd > 68.899)) ( attr rmsd < 1.219 and attr rmsd > 1.119) 6 6 0 peak 12362 ppm1 0.739 ppm2 1.169 volume 0.1810 assi ((( attr rmsd < 0.789) and (attr rmsd > 0.689)) and bondedto(attr rmsd < 22.379 and attr rmsd > 21.379)) ( attr rmsd < 1.219 and attr rmsd > 1.119) 6 6 0 peak 22362 ppm1 0.739 ppm2 1.169 volume 0.1810 assi ((( attr rmsd < 0.772) and (attr rmsd > 0.672)) and bondedto(attr rmsd < 69.909 and attr rmsd > 68.909)) ( attr rmsd < 4.758 and attr rmsd > 4.658) 6 6 0 peak 12363 ppm1 0.722 ppm2 4.708 volume 1.1329 assi ((( attr rmsd < 0.772) and (attr rmsd > 0.672)) and bondedto(attr rmsd < 22.389 and attr rmsd > 21.389)) ( attr rmsd < 4.758 and attr rmsd > 4.658) 6 6 0 peak 22363 ppm1 0.722 ppm2 4.708 volume 1.1329 assi ((( attr rmsd < 0.774) and (attr rmsd > 0.674)) and bondedto(attr rmsd < 69.961 and attr rmsd > 68.961)) ( attr rmsd < 4.416 and attr rmsd > 4.316) 6 6 0 peak 12364 ppm1 0.724 ppm2 4.366 volume 0.2359 assi ((( attr rmsd < 0.774) and (attr rmsd > 0.674)) and bondedto(attr rmsd < 22.441 and attr rmsd > 21.441)) ( attr rmsd < 4.416 and attr rmsd > 4.316) 6 6 0 peak 22364 ppm1 0.724 ppm2 4.366 volume 0.2359 assi ((( attr rmsd < 0.774) and (attr rmsd > 0.674)) and bondedto(attr rmsd < 69.905 and attr rmsd > 68.905)) ( attr rmsd < 2.968 and attr rmsd > 2.868) 6 6 0 peak 12365 ppm1 0.724 ppm2 2.918 volume 0.5907 assi ((( attr rmsd < 0.774) and (attr rmsd > 0.674)) and bondedto(attr rmsd < 22.385 and attr rmsd > 21.385)) ( attr rmsd < 2.968 and attr rmsd > 2.868) 6 6 0 peak 22365 ppm1 0.724 ppm2 2.918 volume 0.5907 assi ((( attr rmsd < 0.768) and (attr rmsd > 0.668)) and bondedto(attr rmsd < 69.918 and attr rmsd > 68.918)) ( attr rmsd < 1.910 and attr rmsd > 1.810) 6 6 0 peak 12366 ppm1 0.718 ppm2 1.860 volume 0.2445 assi ((( attr rmsd < 0.768) and (attr rmsd > 0.668)) and bondedto(attr rmsd < 22.398 and attr rmsd > 21.398)) ( attr rmsd < 1.910 and attr rmsd > 1.810) 6 6 0 peak 22366 ppm1 0.718 ppm2 1.860 volume 0.2445 assi ((( attr rmsd < 0.771) and (attr rmsd > 0.671)) and bondedto(attr rmsd < 69.931 and attr rmsd > 68.931)) ( attr rmsd < 1.773 and attr rmsd > 1.673) 6 6 0 peak 12367 ppm1 0.721 ppm2 1.723 volume 1.8704 assi ((( attr rmsd < 0.771) and (attr rmsd > 0.671)) and bondedto(attr rmsd < 22.411 and attr rmsd > 21.411)) ( attr rmsd < 1.773 and attr rmsd > 1.673) 6 6 0 peak 22367 ppm1 0.721 ppm2 1.723 volume 1.8704 assi ((( attr rmsd < 0.773) and (attr rmsd > 0.673)) and bondedto(attr rmsd < 69.930 and attr rmsd > 68.930)) ( attr rmsd < 0.780 and attr rmsd > 0.680) 6 6 0 peak 12368 ppm1 0.723 ppm2 0.730 volume 40.5899 assi ((( attr rmsd < 0.773) and (attr rmsd > 0.673)) and bondedto(attr rmsd < 22.410 and attr rmsd > 21.410)) ( attr rmsd < 0.780 and attr rmsd > 0.680) 6 6 0 peak 22368 ppm1 0.723 ppm2 0.730 volume 40.5899 assi ((( attr rmsd < 0.630) and (attr rmsd > 0.530)) and bondedto(attr rmsd < 69.915 and attr rmsd > 68.915)) ( attr rmsd < 4.985 and attr rmsd > 4.885) 6 6 0 peak 12369 ppm1 0.580 ppm2 4.935 volume 0.5028 assi ((( attr rmsd < 0.630) and (attr rmsd > 0.530)) and bondedto(attr rmsd < 22.395 and attr rmsd > 21.395)) ( attr rmsd < 4.985 and attr rmsd > 4.885) 6 6 0 peak 22369 ppm1 0.580 ppm2 4.935 volume 0.5028 assi ((( attr rmsd < 0.632) and (attr rmsd > 0.532)) and bondedto(attr rmsd < 69.908 and attr rmsd > 68.908)) ( attr rmsd < 2.849 and attr rmsd > 2.749) 6 6 0 peak 12370 ppm1 0.582 ppm2 2.799 volume 0.2921 assi ((( attr rmsd < 0.632) and (attr rmsd > 0.532)) and bondedto(attr rmsd < 22.388 and attr rmsd > 21.388)) ( attr rmsd < 2.849 and attr rmsd > 2.749) 6 6 0 peak 22370 ppm1 0.582 ppm2 2.799 volume 0.2921 assi ((( attr rmsd < 0.633) and (attr rmsd > 0.533)) and bondedto(attr rmsd < 69.919 and attr rmsd > 68.919)) ( attr rmsd < 1.832 and attr rmsd > 1.732) 6 6 0 peak 12371 ppm1 0.583 ppm2 1.782 volume 1.0659 assi ((( attr rmsd < 0.633) and (attr rmsd > 0.533)) and bondedto(attr rmsd < 22.399 and attr rmsd > 21.399)) ( attr rmsd < 1.832 and attr rmsd > 1.732) 6 6 0 peak 22371 ppm1 0.583 ppm2 1.782 volume 1.0659 assi ((( attr rmsd < 0.633) and (attr rmsd > 0.533)) and bondedto(attr rmsd < 69.922 and attr rmsd > 68.922)) ( attr rmsd < 0.895 and attr rmsd > 0.795) 6 6 0 peak 12372 ppm1 0.583 ppm2 0.845 volume 1.7994 assi ((( attr rmsd < 0.633) and (attr rmsd > 0.533)) and bondedto(attr rmsd < 22.402 and attr rmsd > 21.402)) ( attr rmsd < 0.895 and attr rmsd > 0.795) 6 6 0 peak 22372 ppm1 0.583 ppm2 0.845 volume 1.7994 assi ((( attr rmsd < 0.629) and (attr rmsd > 0.529)) and bondedto(attr rmsd < 69.914 and attr rmsd > 68.914)) ( attr rmsd < 0.636 and attr rmsd > 0.536) 6 6 0 peak 12373 ppm1 0.579 ppm2 0.586 volume 19.5145 assi ((( attr rmsd < 0.629) and (attr rmsd > 0.529)) and bondedto(attr rmsd < 22.394 and attr rmsd > 21.394)) ( attr rmsd < 0.636 and attr rmsd > 0.536) 6 6 0 peak 22373 ppm1 0.579 ppm2 0.586 volume 19.5145 assi ((( attr rmsd < 0.627) and (attr rmsd > 0.527)) and bondedto(attr rmsd < 69.925 and attr rmsd > 68.925)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 12374 ppm1 0.577 ppm2 4.771 volume 0.4565 assi ((( attr rmsd < 0.627) and (attr rmsd > 0.527)) and bondedto(attr rmsd < 22.405 and attr rmsd > 21.405)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 22374 ppm1 0.577 ppm2 4.771 volume 0.4565 assi ((( attr rmsd < 0.241) and (attr rmsd > 0.141)) and bondedto(attr rmsd < 69.923 and attr rmsd > 68.923)) ( attr rmsd < 0.244 and attr rmsd > 0.144) 6 6 0 peak 12375 ppm1 0.191 ppm2 0.194 volume 0.1525 assi ((( attr rmsd < 0.241) and (attr rmsd > 0.141)) and bondedto(attr rmsd < 22.403 and attr rmsd > 21.403)) ( attr rmsd < 0.244 and attr rmsd > 0.144) 6 6 0 peak 22375 ppm1 0.191 ppm2 0.194 volume 0.1525 assi ((( attr rmsd < 3.332) and (attr rmsd > 3.232)) and bondedto(attr rmsd < 46.105 and attr rmsd > 45.105)) ( attr rmsd < 3.333 and attr rmsd > 3.233) 6 6 0 peak 2376 ppm1 3.282 ppm2 3.283 volume 0.1535 assi ((( attr rmsd < 1.230) and (attr rmsd > 1.130)) and bondedto(attr rmsd < 46.211 and attr rmsd > 45.211)) ( attr rmsd < 1.349 and attr rmsd > 1.249) 6 6 0 peak 2377 ppm1 1.180 ppm2 1.299 volume 0.2746 assi ((( attr rmsd < 1.229) and (attr rmsd > 1.129)) and bondedto(attr rmsd < 46.189 and attr rmsd > 45.189)) ( attr rmsd < 1.127 and attr rmsd > 1.027) 6 6 0 peak 2378 ppm1 1.179 ppm2 1.077 volume 4.3632 assi ((( attr rmsd < 0.933) and (attr rmsd > 0.833)) and bondedto(attr rmsd < 46.099 and attr rmsd > 45.099)) ( attr rmsd < 1.238 and attr rmsd > 1.138) 6 6 0 peak 2379 ppm1 0.883 ppm2 1.188 volume 0.1805 assi ((( attr rmsd < 0.424) and (attr rmsd > 0.324)) and bondedto(attr rmsd < 46.083 and attr rmsd > 45.083)) ( attr rmsd < 0.432 and attr rmsd > 0.332) 6 6 0 peak 2380 ppm1 0.374 ppm2 0.382 volume 0.2844 assi ((( attr rmsd < 4.946) and (attr rmsd > 4.846)) and bondedto(attr rmsd < 69.749 and attr rmsd > 68.749)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 12381 ppm1 4.896 ppm2 0.843 volume 0.1720 assi ((( attr rmsd < 4.946) and (attr rmsd > 4.846)) and bondedto(attr rmsd < 22.229 and attr rmsd > 21.229)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 22381 ppm1 4.896 ppm2 0.843 volume 0.1720 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 69.662 and attr rmsd > 68.662)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 12382 ppm1 4.851 ppm2 0.840 volume 0.2861 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 22.142 and attr rmsd > 21.142)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 22382 ppm1 4.851 ppm2 0.840 volume 0.2861 assi ((( attr rmsd < 3.919) and (attr rmsd > 3.819)) and bondedto(attr rmsd < 69.721 and attr rmsd > 68.721)) ( attr rmsd < 3.923 and attr rmsd > 3.823) 6 6 0 peak 12383 ppm1 3.869 ppm2 3.873 volume 0.5034 assi ((( attr rmsd < 3.919) and (attr rmsd > 3.819)) and bondedto(attr rmsd < 22.201 and attr rmsd > 21.201)) ( attr rmsd < 3.923 and attr rmsd > 3.823) 6 6 0 peak 22383 ppm1 3.869 ppm2 3.873 volume 0.5034 assi ((( attr rmsd < 3.127) and (attr rmsd > 3.027)) and bondedto(attr rmsd < 69.685 and attr rmsd > 68.685)) ( attr rmsd < 3.141 and attr rmsd > 3.041) 6 6 0 peak 12384 ppm1 3.077 ppm2 3.091 volume 0.2478 assi ((( attr rmsd < 3.127) and (attr rmsd > 3.027)) and bondedto(attr rmsd < 22.165 and attr rmsd > 21.165)) ( attr rmsd < 3.141 and attr rmsd > 3.041) 6 6 0 peak 22384 ppm1 3.077 ppm2 3.091 volume 0.2478 assi ((( attr rmsd < 3.082) and (attr rmsd > 2.982)) and bondedto(attr rmsd < 69.680 and attr rmsd > 68.680)) ( attr rmsd < 3.101 and attr rmsd > 3.001) 6 6 0 peak 12385 ppm1 3.032 ppm2 3.051 volume 0.3261 assi ((( attr rmsd < 3.082) and (attr rmsd > 2.982)) and bondedto(attr rmsd < 22.160 and attr rmsd > 21.160)) ( attr rmsd < 3.101 and attr rmsd > 3.001) 6 6 0 peak 22385 ppm1 3.032 ppm2 3.051 volume 0.3261 assi ((( attr rmsd < 2.152) and (attr rmsd > 2.052)) and bondedto(attr rmsd < 69.643 and attr rmsd > 68.643)) ( attr rmsd < 2.157 and attr rmsd > 2.057) 6 6 0 peak 12386 ppm1 2.102 ppm2 2.107 volume 0.4265 assi ((( attr rmsd < 2.152) and (attr rmsd > 2.052)) and bondedto(attr rmsd < 22.123 and attr rmsd > 21.123)) ( attr rmsd < 2.157 and attr rmsd > 2.057) 6 6 0 peak 22386 ppm1 2.102 ppm2 2.107 volume 0.4265 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 45.973 and attr rmsd > 44.973)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 2387 ppm1 3.677 ppm2 3.594 volume 0.2572 assi ((( attr rmsd < 3.256) and (attr rmsd > 3.156)) and bondedto(attr rmsd < 45.842 and attr rmsd > 44.842)) ( attr rmsd < 3.254 and attr rmsd > 3.154) 6 6 0 peak 2388 ppm1 3.206 ppm2 3.204 volume 0.3380 assi ((( attr rmsd < 0.838) and (attr rmsd > 0.738)) and bondedto(attr rmsd < 45.893 and attr rmsd > 44.893)) ( attr rmsd < 0.826 and attr rmsd > 0.726) 6 6 0 peak 2389 ppm1 0.788 ppm2 0.776 volume 1.1973 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 69.558 and attr rmsd > 68.558)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 12390 ppm1 4.713 ppm2 0.843 volume 0.3283 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 22.038 and attr rmsd > 21.038)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 22390 ppm1 4.713 ppm2 0.843 volume 0.3283 assi ((( attr rmsd < 4.019) and (attr rmsd > 3.919)) and bondedto(attr rmsd < 69.567 and attr rmsd > 68.567)) ( attr rmsd < 3.944 and attr rmsd > 3.844) 6 6 0 peak 12391 ppm1 3.969 ppm2 3.894 volume 0.2222 assi ((( attr rmsd < 4.019) and (attr rmsd > 3.919)) and bondedto(attr rmsd < 22.047 and attr rmsd > 21.047)) ( attr rmsd < 3.944 and attr rmsd > 3.844) 6 6 0 peak 22391 ppm1 3.969 ppm2 3.894 volume 0.2222 assi ((( attr rmsd < 3.350) and (attr rmsd > 3.250)) and bondedto(attr rmsd < 69.450 and attr rmsd > 68.450)) ( attr rmsd < 3.354 and attr rmsd > 3.254) 6 6 0 peak 12392 ppm1 3.300 ppm2 3.304 volume 0.2355 assi ((( attr rmsd < 3.350) and (attr rmsd > 3.250)) and bondedto(attr rmsd < 21.930 and attr rmsd > 20.930)) ( attr rmsd < 3.354 and attr rmsd > 3.254) 6 6 0 peak 22392 ppm1 3.300 ppm2 3.304 volume 0.2355 assi ((( attr rmsd < 1.829) and (attr rmsd > 1.729)) and bondedto(attr rmsd < 69.540 and attr rmsd > 68.540)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 12393 ppm1 1.779 ppm2 0.840 volume 0.1699 assi ((( attr rmsd < 1.829) and (attr rmsd > 1.729)) and bondedto(attr rmsd < 22.020 and attr rmsd > 21.020)) ( attr rmsd < 0.890 and attr rmsd > 0.790) 6 6 0 peak 22393 ppm1 1.779 ppm2 0.840 volume 0.1699 assi ((( attr rmsd < 1.768) and (attr rmsd > 1.668)) and bondedto(attr rmsd < 69.484 and attr rmsd > 68.484)) ( attr rmsd < 0.779 and attr rmsd > 0.679) 6 6 0 peak 12394 ppm1 1.718 ppm2 0.729 volume 0.1481 assi ((( attr rmsd < 1.768) and (attr rmsd > 1.668)) and bondedto(attr rmsd < 21.964 and attr rmsd > 20.964)) ( attr rmsd < 0.779 and attr rmsd > 0.679) 6 6 0 peak 22394 ppm1 1.718 ppm2 0.729 volume 0.1481 assi ((( attr rmsd < 1.231) and (attr rmsd > 1.131)) and bondedto(attr rmsd < 69.516 and attr rmsd > 68.516)) ( attr rmsd < 4.692 and attr rmsd > 4.592) 6 6 0 peak 12395 ppm1 1.181 ppm2 4.642 volume 1.4599 assi ((( attr rmsd < 1.231) and (attr rmsd > 1.131)) and bondedto(attr rmsd < 21.996 and attr rmsd > 20.996)) ( attr rmsd < 4.692 and attr rmsd > 4.592) 6 6 0 peak 22395 ppm1 1.181 ppm2 4.642 volume 1.4599 assi ((( attr rmsd < 1.230) and (attr rmsd > 1.130)) and bondedto(attr rmsd < 69.470 and attr rmsd > 68.470)) ( attr rmsd < 3.884 and attr rmsd > 3.784) 6 6 0 peak 12396 ppm1 1.180 ppm2 3.834 volume 0.2076 assi ((( attr rmsd < 1.230) and (attr rmsd > 1.130)) and bondedto(attr rmsd < 21.950 and attr rmsd > 20.950)) ( attr rmsd < 3.884 and attr rmsd > 3.784) 6 6 0 peak 22396 ppm1 1.180 ppm2 3.834 volume 0.2076 assi ((( attr rmsd < 1.227) and (attr rmsd > 1.127)) and bondedto(attr rmsd < 69.521 and attr rmsd > 68.521)) ( attr rmsd < 2.355 and attr rmsd > 2.255) 6 6 0 peak 12397 ppm1 1.177 ppm2 2.305 volume 0.3247 assi ((( attr rmsd < 1.227) and (attr rmsd > 1.127)) and bondedto(attr rmsd < 22.001 and attr rmsd > 21.001)) ( attr rmsd < 2.355 and attr rmsd > 2.255) 6 6 0 peak 22397 ppm1 1.177 ppm2 2.305 volume 0.3247 assi ((( attr rmsd < 1.226) and (attr rmsd > 1.126)) and bondedto(attr rmsd < 69.563 and attr rmsd > 68.563)) ( attr rmsd < 1.814 and attr rmsd > 1.714) 6 6 0 peak 12398 ppm1 1.176 ppm2 1.764 volume 0.3355 assi ((( attr rmsd < 1.226) and (attr rmsd > 1.126)) and bondedto(attr rmsd < 22.043 and attr rmsd > 21.043)) ( attr rmsd < 1.814 and attr rmsd > 1.714) 6 6 0 peak 22398 ppm1 1.176 ppm2 1.764 volume 0.3355 assi ((( attr rmsd < 1.228) and (attr rmsd > 1.128)) and bondedto(attr rmsd < 69.542 and attr rmsd > 68.542)) ( attr rmsd < 1.661 and attr rmsd > 1.561) 6 6 0 peak 12399 ppm1 1.178 ppm2 1.611 volume 0.6174 assi ((( attr rmsd < 1.228) and (attr rmsd > 1.128)) and bondedto(attr rmsd < 22.022 and attr rmsd > 21.022)) ( attr rmsd < 1.661 and attr rmsd > 1.561) 6 6 0 peak 22399 ppm1 1.178 ppm2 1.611 volume 0.6174 assi ((( attr rmsd < 1.163) and (attr rmsd > 1.063)) and bondedto(attr rmsd < 69.527 and attr rmsd > 68.527)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 12400 ppm1 1.113 ppm2 4.776 volume 1.1709 assi ((( attr rmsd < 1.163) and (attr rmsd > 1.063)) and bondedto(attr rmsd < 22.007 and attr rmsd > 21.007)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 22400 ppm1 1.113 ppm2 4.776 volume 1.1709 assi ((( attr rmsd < 1.164) and (attr rmsd > 1.064)) and bondedto(attr rmsd < 69.521 and attr rmsd > 68.521)) ( attr rmsd < 4.512 and attr rmsd > 4.412) 6 6 0 peak 12401 ppm1 1.114 ppm2 4.462 volume 0.5114 assi ((( attr rmsd < 1.164) and (attr rmsd > 1.064)) and bondedto(attr rmsd < 22.001 and attr rmsd > 21.001)) ( attr rmsd < 4.512 and attr rmsd > 4.412) 6 6 0 peak 22401 ppm1 1.114 ppm2 4.462 volume 0.5114 assi ((( attr rmsd < 1.162) and (attr rmsd > 1.062)) and bondedto(attr rmsd < 69.525 and attr rmsd > 68.525)) ( attr rmsd < 4.166 and attr rmsd > 4.066) 6 6 0 peak 12402 ppm1 1.112 ppm2 4.116 volume 0.7991 assi ((( attr rmsd < 1.162) and (attr rmsd > 1.062)) and bondedto(attr rmsd < 22.005 and attr rmsd > 21.005)) ( attr rmsd < 4.166 and attr rmsd > 4.066) 6 6 0 peak 22402 ppm1 1.112 ppm2 4.116 volume 0.7991 assi ((( attr rmsd < 1.170) and (attr rmsd > 1.070)) and bondedto(attr rmsd < 69.521 and attr rmsd > 68.521)) ( attr rmsd < 1.683 and attr rmsd > 1.583) 6 6 0 peak 12403 ppm1 1.120 ppm2 1.633 volume 0.4057 assi ((( attr rmsd < 1.170) and (attr rmsd > 1.070)) and bondedto(attr rmsd < 22.001 and attr rmsd > 21.001)) ( attr rmsd < 1.683 and attr rmsd > 1.583) 6 6 0 peak 22403 ppm1 1.120 ppm2 1.633 volume 0.4057 assi ((( attr rmsd < 1.167) and (attr rmsd > 1.067)) and bondedto(attr rmsd < 69.522 and attr rmsd > 68.522)) ( attr rmsd < 1.174 and attr rmsd > 1.074) 6 6 0 peak 12404 ppm1 1.117 ppm2 1.124 volume 22.4173 assi ((( attr rmsd < 1.167) and (attr rmsd > 1.067)) and bondedto(attr rmsd < 22.002 and attr rmsd > 21.002)) ( attr rmsd < 1.174 and attr rmsd > 1.074) 6 6 0 peak 22404 ppm1 1.117 ppm2 1.124 volume 22.4173 assi ((( attr rmsd < 0.884) and (attr rmsd > 0.784)) and bondedto(attr rmsd < 69.538 and attr rmsd > 68.538)) ( attr rmsd < 4.978 and attr rmsd > 4.878) 6 6 0 peak 12405 ppm1 0.834 ppm2 4.928 volume 0.8115 assi ((( attr rmsd < 0.884) and (attr rmsd > 0.784)) and bondedto(attr rmsd < 22.018 and attr rmsd > 21.018)) ( attr rmsd < 4.978 and attr rmsd > 4.878) 6 6 0 peak 22405 ppm1 0.834 ppm2 4.928 volume 0.8115 assi ((( attr rmsd < 0.884) and (attr rmsd > 0.784)) and bondedto(attr rmsd < 69.514 and attr rmsd > 68.514)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 12406 ppm1 0.834 ppm2 4.773 volume 0.3018 assi ((( attr rmsd < 0.884) and (attr rmsd > 0.784)) and bondedto(attr rmsd < 21.994 and attr rmsd > 20.994)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 22406 ppm1 0.834 ppm2 4.773 volume 0.3018 assi ((( attr rmsd < 0.882) and (attr rmsd > 0.782)) and bondedto(attr rmsd < 69.565 and attr rmsd > 68.565)) ( attr rmsd < 4.594 and attr rmsd > 4.494) 6 6 0 peak 12407 ppm1 0.832 ppm2 4.544 volume 0.2726 assi ((( attr rmsd < 0.882) and (attr rmsd > 0.782)) and bondedto(attr rmsd < 22.045 and attr rmsd > 21.045)) ( attr rmsd < 4.594 and attr rmsd > 4.494) 6 6 0 peak 22407 ppm1 0.832 ppm2 4.544 volume 0.2726 assi ((( attr rmsd < 0.888) and (attr rmsd > 0.788)) and bondedto(attr rmsd < 69.531 and attr rmsd > 68.531)) ( attr rmsd < 2.839 and attr rmsd > 2.739) 6 6 0 peak 12408 ppm1 0.838 ppm2 2.789 volume 0.2447 assi ((( attr rmsd < 0.888) and (attr rmsd > 0.788)) and bondedto(attr rmsd < 22.011 and attr rmsd > 21.011)) ( attr rmsd < 2.839 and attr rmsd > 2.739) 6 6 0 peak 22408 ppm1 0.838 ppm2 2.789 volume 0.2447 assi ((( attr rmsd < 0.890) and (attr rmsd > 0.790)) and bondedto(attr rmsd < 69.556 and attr rmsd > 68.556)) ( attr rmsd < 2.217 and attr rmsd > 2.117) 6 6 0 peak 12409 ppm1 0.840 ppm2 2.167 volume 0.1761 assi ((( attr rmsd < 0.890) and (attr rmsd > 0.790)) and bondedto(attr rmsd < 22.036 and attr rmsd > 21.036)) ( attr rmsd < 2.217 and attr rmsd > 2.117) 6 6 0 peak 22409 ppm1 0.840 ppm2 2.167 volume 0.1761 assi ((( attr rmsd < 0.891) and (attr rmsd > 0.791)) and bondedto(attr rmsd < 69.509 and attr rmsd > 68.509)) ( attr rmsd < 2.020 and attr rmsd > 1.920) 6 6 0 peak 12410 ppm1 0.841 ppm2 1.970 volume 0.3080 assi ((( attr rmsd < 0.891) and (attr rmsd > 0.791)) and bondedto(attr rmsd < 21.989 and attr rmsd > 20.989)) ( attr rmsd < 2.020 and attr rmsd > 1.920) 6 6 0 peak 22410 ppm1 0.841 ppm2 1.970 volume 0.3080 assi ((( attr rmsd < 0.885) and (attr rmsd > 0.785)) and bondedto(attr rmsd < 69.551 and attr rmsd > 68.551)) ( attr rmsd < 1.841 and attr rmsd > 1.741) 6 6 0 peak 12411 ppm1 0.835 ppm2 1.791 volume 1.7626 assi ((( attr rmsd < 0.885) and (attr rmsd > 0.785)) and bondedto(attr rmsd < 22.031 and attr rmsd > 21.031)) ( attr rmsd < 1.841 and attr rmsd > 1.741) 6 6 0 peak 22411 ppm1 0.835 ppm2 1.791 volume 1.7626 assi ((( attr rmsd < 0.890) and (attr rmsd > 0.790)) and bondedto(attr rmsd < 69.590 and attr rmsd > 68.590)) ( attr rmsd < 1.679 and attr rmsd > 1.579) 6 6 0 peak 12412 ppm1 0.840 ppm2 1.629 volume 0.1493 assi ((( attr rmsd < 0.890) and (attr rmsd > 0.790)) and bondedto(attr rmsd < 22.070 and attr rmsd > 21.070)) ( attr rmsd < 1.679 and attr rmsd > 1.579) 6 6 0 peak 22412 ppm1 0.840 ppm2 1.629 volume 0.1493 assi ((( attr rmsd < 0.889) and (attr rmsd > 0.789)) and bondedto(attr rmsd < 69.559 and attr rmsd > 68.559)) ( attr rmsd < 1.419 and attr rmsd > 1.319) 6 6 0 peak 12413 ppm1 0.839 ppm2 1.369 volume 0.3566 assi ((( attr rmsd < 0.889) and (attr rmsd > 0.789)) and bondedto(attr rmsd < 22.039 and attr rmsd > 21.039)) ( attr rmsd < 1.419 and attr rmsd > 1.319) 6 6 0 peak 22413 ppm1 0.839 ppm2 1.369 volume 0.3566 assi ((( attr rmsd < 0.889) and (attr rmsd > 0.789)) and bondedto(attr rmsd < 69.538 and attr rmsd > 68.538)) ( attr rmsd < 1.023 and attr rmsd > 0.923) 6 6 0 peak 12414 ppm1 0.839 ppm2 0.973 volume 0.7772 assi ((( attr rmsd < 0.889) and (attr rmsd > 0.789)) and bondedto(attr rmsd < 22.018 and attr rmsd > 21.018)) ( attr rmsd < 1.023 and attr rmsd > 0.923) 6 6 0 peak 22414 ppm1 0.839 ppm2 0.973 volume 0.7772 assi ((( attr rmsd < 0.886) and (attr rmsd > 0.786)) and bondedto(attr rmsd < 69.533 and attr rmsd > 68.533)) ( attr rmsd < 0.892 and attr rmsd > 0.792) 6 6 0 peak 12415 ppm1 0.836 ppm2 0.842 volume 30.1801 assi ((( attr rmsd < 0.886) and (attr rmsd > 0.786)) and bondedto(attr rmsd < 22.013 and attr rmsd > 21.013)) ( attr rmsd < 0.892 and attr rmsd > 0.792) 6 6 0 peak 22415 ppm1 0.836 ppm2 0.842 volume 30.1801 assi ((( attr rmsd < 0.885) and (attr rmsd > 0.785)) and bondedto(attr rmsd < 69.528 and attr rmsd > 68.528)) ( attr rmsd < 0.632 and attr rmsd > 0.532) 6 6 0 peak 12416 ppm1 0.835 ppm2 0.582 volume 1.3940 assi ((( attr rmsd < 0.885) and (attr rmsd > 0.785)) and bondedto(attr rmsd < 22.008 and attr rmsd > 21.008)) ( attr rmsd < 0.632 and attr rmsd > 0.532) 6 6 0 peak 22416 ppm1 0.835 ppm2 0.582 volume 1.3940 assi ((( attr rmsd < 0.776) and (attr rmsd > 0.676)) and bondedto(attr rmsd < 69.529 and attr rmsd > 68.529)) ( attr rmsd < 5.464 and attr rmsd > 5.364) 6 6 0 peak 12417 ppm1 0.726 ppm2 5.414 volume 0.1878 assi ((( attr rmsd < 0.776) and (attr rmsd > 0.676)) and bondedto(attr rmsd < 22.009 and attr rmsd > 21.009)) ( attr rmsd < 5.464 and attr rmsd > 5.364) 6 6 0 peak 22417 ppm1 0.726 ppm2 5.414 volume 0.1878 assi ((( attr rmsd < 0.776) and (attr rmsd > 0.676)) and bondedto(attr rmsd < 69.517 and attr rmsd > 68.517)) ( attr rmsd < 2.754 and attr rmsd > 2.654) 6 6 0 peak 12418 ppm1 0.726 ppm2 2.704 volume 0.3597 assi ((( attr rmsd < 0.776) and (attr rmsd > 0.676)) and bondedto(attr rmsd < 21.997 and attr rmsd > 20.997)) ( attr rmsd < 2.754 and attr rmsd > 2.654) 6 6 0 peak 22418 ppm1 0.726 ppm2 2.704 volume 0.3597 assi ((( attr rmsd < 4.039) and (attr rmsd > 3.939)) and bondedto(attr rmsd < 45.673 and attr rmsd > 44.673)) ( attr rmsd < 4.047 and attr rmsd > 3.947) 6 6 0 peak 2419 ppm1 3.989 ppm2 3.997 volume 0.7602 assi ((( attr rmsd < 1.184) and (attr rmsd > 1.084)) and bondedto(attr rmsd < 45.754 and attr rmsd > 44.754)) ( attr rmsd < 1.081 and attr rmsd > 0.981) 6 6 0 peak 2420 ppm1 1.134 ppm2 1.031 volume 1.5236 assi ((( attr rmsd < 1.158) and (attr rmsd > 1.058)) and bondedto(attr rmsd < 45.675 and attr rmsd > 44.675)) ( attr rmsd < 1.046 and attr rmsd > 0.946) 6 6 0 peak 2421 ppm1 1.108 ppm2 0.996 volume 1.6454 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 45.812 and attr rmsd > 44.812)) ( attr rmsd < 4.280 and attr rmsd > 4.180) 6 6 0 peak 2422 ppm1 0.865 ppm2 4.230 volume 0.1827 assi ((( attr rmsd < 0.879) and (attr rmsd > 0.779)) and bondedto(attr rmsd < 45.744 and attr rmsd > 44.744)) ( attr rmsd < 0.771 and attr rmsd > 0.671) 6 6 0 peak 2423 ppm1 0.829 ppm2 0.721 volume 1.2702 assi ((( attr rmsd < 0.558) and (attr rmsd > 0.458)) and bondedto(attr rmsd < 45.676 and attr rmsd > 44.676)) ( attr rmsd < 1.265 and attr rmsd > 1.165) 6 6 0 peak 2424 ppm1 0.508 ppm2 1.215 volume 0.1952 assi ((( attr rmsd < 0.557) and (attr rmsd > 0.457)) and bondedto(attr rmsd < 45.671 and attr rmsd > 44.671)) ( attr rmsd < 0.555 and attr rmsd > 0.455) 6 6 0 peak 2425 ppm1 0.507 ppm2 0.505 volume 1.3124 assi ((( attr rmsd < 0.266) and (attr rmsd > 0.166)) and bondedto(attr rmsd < 45.770 and attr rmsd > 44.770)) ( attr rmsd < 0.268 and attr rmsd > 0.168) 6 6 0 peak 2426 ppm1 0.216 ppm2 0.218 volume 0.2132 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 69.260 and attr rmsd > 68.260)) ( attr rmsd < 3.181 and attr rmsd > 3.081) 6 6 0 peak 12427 ppm1 3.029 ppm2 3.131 volume 0.2034 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 21.740 and attr rmsd > 20.740)) ( attr rmsd < 3.181 and attr rmsd > 3.081) 6 6 0 peak 22427 ppm1 3.029 ppm2 3.131 volume 0.2034 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 69.271 and attr rmsd > 68.271)) ( attr rmsd < 2.968 and attr rmsd > 2.868) 6 6 0 peak 12428 ppm1 3.029 ppm2 2.918 volume 0.1744 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 21.751 and attr rmsd > 20.751)) ( attr rmsd < 2.968 and attr rmsd > 2.868) 6 6 0 peak 22428 ppm1 3.029 ppm2 2.918 volume 0.1744 assi ((( attr rmsd < 1.229) and (attr rmsd > 1.129)) and bondedto(attr rmsd < 69.235 and attr rmsd > 68.235)) ( attr rmsd < 0.825 and attr rmsd > 0.725) 6 6 0 peak 12429 ppm1 1.179 ppm2 0.775 volume 0.1579 assi ((( attr rmsd < 1.229) and (attr rmsd > 1.129)) and bondedto(attr rmsd < 21.715 and attr rmsd > 20.715)) ( attr rmsd < 0.825 and attr rmsd > 0.725) 6 6 0 peak 22429 ppm1 1.179 ppm2 0.775 volume 0.1579 assi ((( attr rmsd < 1.227) and (attr rmsd > 1.127)) and bondedto(attr rmsd < 69.333 and attr rmsd > 68.333)) ( attr rmsd < 0.713 and attr rmsd > 0.613) 6 6 0 peak 12430 ppm1 1.177 ppm2 0.663 volume 0.3353 assi ((( attr rmsd < 1.227) and (attr rmsd > 1.127)) and bondedto(attr rmsd < 21.813 and attr rmsd > 20.813)) ( attr rmsd < 0.713 and attr rmsd > 0.613) 6 6 0 peak 22430 ppm1 1.177 ppm2 0.663 volume 0.3353 assi ((( attr rmsd < 1.081) and (attr rmsd > 0.981)) and bondedto(attr rmsd < 69.234 and attr rmsd > 68.234)) ( attr rmsd < 1.224 and attr rmsd > 1.124) 6 6 0 peak 12431 ppm1 1.031 ppm2 1.174 volume 0.5654 assi ((( attr rmsd < 1.081) and (attr rmsd > 0.981)) and bondedto(attr rmsd < 21.714 and attr rmsd > 20.714)) ( attr rmsd < 1.224 and attr rmsd > 1.124) 6 6 0 peak 22431 ppm1 1.031 ppm2 1.174 volume 0.5654 assi ((( attr rmsd < 0.398) and (attr rmsd > 0.298)) and bondedto(attr rmsd < 69.409 and attr rmsd > 68.409)) ( attr rmsd < 0.402 and attr rmsd > 0.302) 6 6 0 peak 12432 ppm1 0.348 ppm2 0.352 volume 0.1787 assi ((( attr rmsd < 0.398) and (attr rmsd > 0.298)) and bondedto(attr rmsd < 21.889 and attr rmsd > 20.889)) ( attr rmsd < 0.402 and attr rmsd > 0.302) 6 6 0 peak 22432 ppm1 0.348 ppm2 0.352 volume 0.1787 assi ((( attr rmsd < 4.250) and (attr rmsd > 4.150)) and bondedto(attr rmsd < 45.589 and attr rmsd > 44.589)) ( attr rmsd < 1.163 and attr rmsd > 1.063) 6 6 0 peak 2433 ppm1 4.200 ppm2 1.113 volume 0.2387 assi ((( attr rmsd < 3.062) and (attr rmsd > 2.962)) and bondedto(attr rmsd < 45.525 and attr rmsd > 44.525)) ( attr rmsd < 3.064 and attr rmsd > 2.964) 6 6 0 peak 2434 ppm1 3.012 ppm2 3.014 volume 0.6161 assi ((( attr rmsd < 2.987) and (attr rmsd > 2.887)) and bondedto(attr rmsd < 45.486 and attr rmsd > 44.486)) ( attr rmsd < 2.975 and attr rmsd > 2.875) 6 6 0 peak 2435 ppm1 2.937 ppm2 2.925 volume 0.2277 assi ((( attr rmsd < 2.174) and (attr rmsd > 2.074)) and bondedto(attr rmsd < 45.510 and attr rmsd > 44.510)) ( attr rmsd < 2.178 and attr rmsd > 2.078) 6 6 0 peak 2436 ppm1 2.124 ppm2 2.128 volume 0.2443 assi ((( attr rmsd < 1.571) and (attr rmsd > 1.471)) and bondedto(attr rmsd < 45.481 and attr rmsd > 44.481)) ( attr rmsd < 1.585 and attr rmsd > 1.485) 6 6 0 peak 2437 ppm1 1.521 ppm2 1.535 volume 0.1655 assi ((( attr rmsd < 1.238) and (attr rmsd > 1.138)) and bondedto(attr rmsd < 45.510 and attr rmsd > 44.510)) ( attr rmsd < 4.581 and attr rmsd > 4.481) 6 6 0 peak 2438 ppm1 1.188 ppm2 4.531 volume 0.1782 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 69.175 and attr rmsd > 68.175)) ( attr rmsd < 4.251 and attr rmsd > 4.151) 6 6 0 peak 12439 ppm1 4.852 ppm2 4.201 volume 0.4170 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 21.655 and attr rmsd > 20.655)) ( attr rmsd < 4.251 and attr rmsd > 4.151) 6 6 0 peak 22439 ppm1 4.852 ppm2 4.201 volume 0.4170 assi ((( attr rmsd < 4.764) and (attr rmsd > 4.664)) and bondedto(attr rmsd < 69.184 and attr rmsd > 68.184)) ( attr rmsd < 4.249 and attr rmsd > 4.149) 6 6 0 peak 12440 ppm1 4.714 ppm2 4.199 volume 0.3415 assi ((( attr rmsd < 4.764) and (attr rmsd > 4.664)) and bondedto(attr rmsd < 21.664 and attr rmsd > 20.664)) ( attr rmsd < 4.249 and attr rmsd > 4.149) 6 6 0 peak 22440 ppm1 4.714 ppm2 4.199 volume 0.3415 assi ((( attr rmsd < 4.598) and (attr rmsd > 4.498)) and bondedto(attr rmsd < 69.121 and attr rmsd > 68.121)) ( attr rmsd < 1.283 and attr rmsd > 1.183) 6 6 0 peak 12441 ppm1 4.548 ppm2 1.233 volume 1.4443 assi ((( attr rmsd < 4.598) and (attr rmsd > 4.498)) and bondedto(attr rmsd < 21.601 and attr rmsd > 20.601)) ( attr rmsd < 1.283 and attr rmsd > 1.183) 6 6 0 peak 22441 ppm1 4.548 ppm2 1.233 volume 1.4443 assi ((( attr rmsd < 4.594) and (attr rmsd > 4.494)) and bondedto(attr rmsd < 69.123 and attr rmsd > 68.123)) ( attr rmsd < 4.114 and attr rmsd > 4.014) 6 6 0 peak 12442 ppm1 4.544 ppm2 4.064 volume 0.8536 assi ((( attr rmsd < 4.594) and (attr rmsd > 4.494)) and bondedto(attr rmsd < 21.603 and attr rmsd > 20.603)) ( attr rmsd < 4.114 and attr rmsd > 4.014) 6 6 0 peak 22442 ppm1 4.544 ppm2 4.064 volume 0.8536 assi ((( attr rmsd < 4.245) and (attr rmsd > 4.145)) and bondedto(attr rmsd < 69.198 and attr rmsd > 68.198)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 12443 ppm1 4.195 ppm2 4.774 volume 0.5419 assi ((( attr rmsd < 4.245) and (attr rmsd > 4.145)) and bondedto(attr rmsd < 21.678 and attr rmsd > 20.678)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 22443 ppm1 4.195 ppm2 4.774 volume 0.5419 assi ((( attr rmsd < 4.242) and (attr rmsd > 4.142)) and bondedto(attr rmsd < 69.168 and attr rmsd > 68.168)) ( attr rmsd < 4.246 and attr rmsd > 4.146) 6 6 0 peak 12444 ppm1 4.192 ppm2 4.196 volume 5.4657 assi ((( attr rmsd < 4.242) and (attr rmsd > 4.142)) and bondedto(attr rmsd < 21.648 and attr rmsd > 20.648)) ( attr rmsd < 4.246 and attr rmsd > 4.146) 6 6 0 peak 22444 ppm1 4.192 ppm2 4.196 volume 5.4657 assi ((( attr rmsd < 4.246) and (attr rmsd > 4.146)) and bondedto(attr rmsd < 69.167 and attr rmsd > 68.167)) ( attr rmsd < 3.563 and attr rmsd > 3.463) 6 6 0 peak 12445 ppm1 4.196 ppm2 3.513 volume 1.0537 assi ((( attr rmsd < 4.246) and (attr rmsd > 4.146)) and bondedto(attr rmsd < 21.647 and attr rmsd > 20.647)) ( attr rmsd < 3.563 and attr rmsd > 3.463) 6 6 0 peak 22445 ppm1 4.196 ppm2 3.513 volume 1.0537 assi ((( attr rmsd < 4.244) and (attr rmsd > 4.144)) and bondedto(attr rmsd < 69.162 and attr rmsd > 68.162)) ( attr rmsd < 1.261 and attr rmsd > 1.161) 6 6 0 peak 12446 ppm1 4.194 ppm2 1.211 volume 1.2623 assi ((( attr rmsd < 4.244) and (attr rmsd > 4.144)) and bondedto(attr rmsd < 21.642 and attr rmsd > 20.642)) ( attr rmsd < 1.261 and attr rmsd > 1.161) 6 6 0 peak 22446 ppm1 4.194 ppm2 1.211 volume 1.2623 assi ((( attr rmsd < 3.266) and (attr rmsd > 3.166)) and bondedto(attr rmsd < 69.166 and attr rmsd > 68.166)) ( attr rmsd < 3.271 and attr rmsd > 3.171) 6 6 0 peak 12447 ppm1 3.216 ppm2 3.221 volume 0.6139 assi ((( attr rmsd < 3.266) and (attr rmsd > 3.166)) and bondedto(attr rmsd < 21.646 and attr rmsd > 20.646)) ( attr rmsd < 3.271 and attr rmsd > 3.171) 6 6 0 peak 22447 ppm1 3.216 ppm2 3.221 volume 0.6139 assi ((( attr rmsd < 3.205) and (attr rmsd > 3.105)) and bondedto(attr rmsd < 69.204 and attr rmsd > 68.204)) ( attr rmsd < 3.212 and attr rmsd > 3.112) 6 6 0 peak 12448 ppm1 3.155 ppm2 3.162 volume 0.1996 assi ((( attr rmsd < 3.205) and (attr rmsd > 3.105)) and bondedto(attr rmsd < 21.684 and attr rmsd > 20.684)) ( attr rmsd < 3.212 and attr rmsd > 3.112) 6 6 0 peak 22448 ppm1 3.155 ppm2 3.162 volume 0.1996 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 69.141 and attr rmsd > 68.141)) ( attr rmsd < 4.241 and attr rmsd > 4.141) 6 6 0 peak 12449 ppm1 1.200 ppm2 4.191 volume 0.2589 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 21.621 and attr rmsd > 20.621)) ( attr rmsd < 4.241 and attr rmsd > 4.141) 6 6 0 peak 22449 ppm1 1.200 ppm2 4.191 volume 0.2589 assi ((( attr rmsd < 1.074) and (attr rmsd > 0.974)) and bondedto(attr rmsd < 69.129 and attr rmsd > 68.129)) ( attr rmsd < 4.502 and attr rmsd > 4.402) 6 6 0 peak 12450 ppm1 1.024 ppm2 4.452 volume 0.8062 assi ((( attr rmsd < 1.074) and (attr rmsd > 0.974)) and bondedto(attr rmsd < 21.609 and attr rmsd > 20.609)) ( attr rmsd < 4.502 and attr rmsd > 4.402) 6 6 0 peak 22450 ppm1 1.024 ppm2 4.452 volume 0.8062 assi ((( attr rmsd < 1.076) and (attr rmsd > 0.976)) and bondedto(attr rmsd < 69.143 and attr rmsd > 68.143)) ( attr rmsd < 3.941 and attr rmsd > 3.841) 6 6 0 peak 12451 ppm1 1.026 ppm2 3.891 volume 0.2773 assi ((( attr rmsd < 1.076) and (attr rmsd > 0.976)) and bondedto(attr rmsd < 21.623 and attr rmsd > 20.623)) ( attr rmsd < 3.941 and attr rmsd > 3.841) 6 6 0 peak 22451 ppm1 1.026 ppm2 3.891 volume 0.2773 assi ((( attr rmsd < 1.074) and (attr rmsd > 0.974)) and bondedto(attr rmsd < 69.129 and attr rmsd > 68.129)) ( attr rmsd < 3.798 and attr rmsd > 3.698) 6 6 0 peak 12452 ppm1 1.024 ppm2 3.748 volume 0.4301 assi ((( attr rmsd < 1.074) and (attr rmsd > 0.974)) and bondedto(attr rmsd < 21.609 and attr rmsd > 20.609)) ( attr rmsd < 3.798 and attr rmsd > 3.698) 6 6 0 peak 22452 ppm1 1.024 ppm2 3.748 volume 0.4301 assi ((( attr rmsd < 1.066) and (attr rmsd > 0.966)) and bondedto(attr rmsd < 69.074 and attr rmsd > 68.074)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 12453 ppm1 1.016 ppm2 2.111 volume 1.3096 assi ((( attr rmsd < 1.066) and (attr rmsd > 0.966)) and bondedto(attr rmsd < 21.554 and attr rmsd > 20.554)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 22453 ppm1 1.016 ppm2 2.111 volume 1.3096 assi ((( attr rmsd < 1.014) and (attr rmsd > 0.914)) and bondedto(attr rmsd < 69.160 and attr rmsd > 68.160)) ( attr rmsd < 1.934 and attr rmsd > 1.834) 6 6 0 peak 12454 ppm1 0.964 ppm2 1.884 volume 0.1769 assi ((( attr rmsd < 1.014) and (attr rmsd > 0.914)) and bondedto(attr rmsd < 21.640 and attr rmsd > 20.640)) ( attr rmsd < 1.934 and attr rmsd > 1.834) 6 6 0 peak 22454 ppm1 0.964 ppm2 1.884 volume 0.1769 assi ((( attr rmsd < 0.998) and (attr rmsd > 0.898)) and bondedto(attr rmsd < 69.088 and attr rmsd > 68.088)) ( attr rmsd < 4.537 and attr rmsd > 4.437) 6 6 0 peak 12455 ppm1 0.948 ppm2 4.487 volume 0.8674 assi ((( attr rmsd < 0.998) and (attr rmsd > 0.898)) and bondedto(attr rmsd < 21.568 and attr rmsd > 20.568)) ( attr rmsd < 4.537 and attr rmsd > 4.437) 6 6 0 peak 22455 ppm1 0.948 ppm2 4.487 volume 0.8674 assi ((( attr rmsd < 1.003) and (attr rmsd > 0.903)) and bondedto(attr rmsd < 69.093 and attr rmsd > 68.093)) ( attr rmsd < 1.792 and attr rmsd > 1.692) 6 6 0 peak 12456 ppm1 0.953 ppm2 1.742 volume 0.2889 assi ((( attr rmsd < 1.003) and (attr rmsd > 0.903)) and bondedto(attr rmsd < 21.573 and attr rmsd > 20.573)) ( attr rmsd < 1.792 and attr rmsd > 1.692) 6 6 0 peak 22456 ppm1 0.953 ppm2 1.742 volume 0.2889 assi ((( attr rmsd < 0.999) and (attr rmsd > 0.899)) and bondedto(attr rmsd < 69.063 and attr rmsd > 68.063)) ( attr rmsd < 1.149 and attr rmsd > 1.049) 6 6 0 peak 12457 ppm1 0.949 ppm2 1.099 volume 1.4414 assi ((( attr rmsd < 0.999) and (attr rmsd > 0.899)) and bondedto(attr rmsd < 21.543 and attr rmsd > 20.543)) ( attr rmsd < 1.149 and attr rmsd > 1.049) 6 6 0 peak 22457 ppm1 0.949 ppm2 1.099 volume 1.4414 assi ((( attr rmsd < 0.952) and (attr rmsd > 0.852)) and bondedto(attr rmsd < 69.078 and attr rmsd > 68.078)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 12458 ppm1 0.902 ppm2 4.772 volume 0.2636 assi ((( attr rmsd < 0.952) and (attr rmsd > 0.852)) and bondedto(attr rmsd < 21.558 and attr rmsd > 20.558)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 22458 ppm1 0.902 ppm2 4.772 volume 0.2636 assi ((( attr rmsd < 0.949) and (attr rmsd > 0.849)) and bondedto(attr rmsd < 69.172 and attr rmsd > 68.172)) ( attr rmsd < 4.162 and attr rmsd > 4.062) 6 6 0 peak 12459 ppm1 0.899 ppm2 4.112 volume 0.1807 assi ((( attr rmsd < 0.949) and (attr rmsd > 0.849)) and bondedto(attr rmsd < 21.652 and attr rmsd > 20.652)) ( attr rmsd < 4.162 and attr rmsd > 4.062) 6 6 0 peak 22459 ppm1 0.899 ppm2 4.112 volume 0.1807 assi ((( attr rmsd < 0.245) and (attr rmsd > 0.145)) and bondedto(attr rmsd < 69.131 and attr rmsd > 68.131)) ( attr rmsd < 0.252 and attr rmsd > 0.152) 6 6 0 peak 12460 ppm1 0.195 ppm2 0.202 volume 0.2439 assi ((( attr rmsd < 0.245) and (attr rmsd > 0.145)) and bondedto(attr rmsd < 21.611 and attr rmsd > 20.611)) ( attr rmsd < 0.252 and attr rmsd > 0.152) 6 6 0 peak 22460 ppm1 0.195 ppm2 0.202 volume 0.2439 assi ((( attr rmsd < 5.518) and (attr rmsd > 5.418)) and bondedto(attr rmsd < 45.290 and attr rmsd > 44.290)) ( attr rmsd < 1.004 and attr rmsd > 0.904) 6 6 0 peak 2461 ppm1 5.468 ppm2 0.954 volume 0.2038 assi ((( attr rmsd < 4.962) and (attr rmsd > 4.862)) and bondedto(attr rmsd < 45.374 and attr rmsd > 44.374)) ( attr rmsd < 3.616 and attr rmsd > 3.516) 6 6 0 peak 2462 ppm1 4.912 ppm2 3.566 volume 0.1711 assi ((( attr rmsd < 4.954) and (attr rmsd > 4.854)) and bondedto(attr rmsd < 45.336 and attr rmsd > 44.336)) ( attr rmsd < 4.509 and attr rmsd > 4.409) 6 6 0 peak 2463 ppm1 4.904 ppm2 4.459 volume 0.1854 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 45.315 and attr rmsd > 44.315)) ( attr rmsd < 4.511 and attr rmsd > 4.411) 6 6 0 peak 2464 ppm1 4.856 ppm2 4.461 volume 0.2307 assi ((( attr rmsd < 4.861) and (attr rmsd > 4.761)) and bondedto(attr rmsd < 45.409 and attr rmsd > 44.409)) ( attr rmsd < 0.891 and attr rmsd > 0.791) 6 6 0 peak 2465 ppm1 4.811 ppm2 0.841 volume 0.2015 assi ((( attr rmsd < 4.778) and (attr rmsd > 4.678)) and bondedto(attr rmsd < 45.297 and attr rmsd > 44.297)) ( attr rmsd < 4.515 and attr rmsd > 4.415) 6 6 0 peak 2466 ppm1 4.728 ppm2 4.465 volume 0.1913 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 45.394 and attr rmsd > 44.394)) ( attr rmsd < 4.120 and attr rmsd > 4.020) 6 6 0 peak 2467 ppm1 4.690 ppm2 4.070 volume 0.1745 assi ((( attr rmsd < 4.521) and (attr rmsd > 4.421)) and bondedto(attr rmsd < 45.289 and attr rmsd > 44.289)) ( attr rmsd < 4.527 and attr rmsd > 4.427) 6 6 0 peak 2468 ppm1 4.471 ppm2 4.477 volume 1.5846 assi ((( attr rmsd < 4.523) and (attr rmsd > 4.423)) and bondedto(attr rmsd < 45.297 and attr rmsd > 44.297)) ( attr rmsd < 3.615 and attr rmsd > 3.515) 6 6 0 peak 2469 ppm1 4.473 ppm2 3.565 volume 1.4797 assi ((( attr rmsd < 4.245) and (attr rmsd > 4.145)) and bondedto(attr rmsd < 45.414 and attr rmsd > 44.414)) ( attr rmsd < 4.141 and attr rmsd > 4.041) 6 6 0 peak 2470 ppm1 4.195 ppm2 4.091 volume 0.4468 assi ((( attr rmsd < 3.613) and (attr rmsd > 3.513)) and bondedto(attr rmsd < 45.301 and attr rmsd > 44.301)) ( attr rmsd < 4.532 and attr rmsd > 4.432) 6 6 0 peak 2471 ppm1 3.563 ppm2 4.482 volume 1.4831 assi ((( attr rmsd < 3.611) and (attr rmsd > 3.511)) and bondedto(attr rmsd < 45.388 and attr rmsd > 44.388)) ( attr rmsd < 0.915 and attr rmsd > 0.815) 6 6 0 peak 2472 ppm1 3.561 ppm2 0.865 volume 0.3754 assi ((( attr rmsd < 2.179) and (attr rmsd > 2.079)) and bondedto(attr rmsd < 45.322 and attr rmsd > 44.322)) ( attr rmsd < 1.001 and attr rmsd > 0.901) 6 6 0 peak 2473 ppm1 2.129 ppm2 0.951 volume 0.9283 assi ((( attr rmsd < 1.711) and (attr rmsd > 1.611)) and bondedto(attr rmsd < 45.290 and attr rmsd > 44.290)) ( attr rmsd < 1.398 and attr rmsd > 1.298) 6 6 0 peak 2474 ppm1 1.661 ppm2 1.348 volume 0.7041 assi ((( attr rmsd < 1.701) and (attr rmsd > 1.601)) and bondedto(attr rmsd < 45.295 and attr rmsd > 44.295)) ( attr rmsd < 5.016 and attr rmsd > 4.916) 6 6 0 peak 2475 ppm1 1.651 ppm2 4.966 volume 0.1541 assi ((( attr rmsd < 1.705) and (attr rmsd > 1.605)) and bondedto(attr rmsd < 45.282 and attr rmsd > 44.282)) ( attr rmsd < 1.721 and attr rmsd > 1.621) 6 6 0 peak 2476 ppm1 1.655 ppm2 1.671 volume 0.6047 assi ((( attr rmsd < 1.707) and (attr rmsd > 1.607)) and bondedto(attr rmsd < 45.296 and attr rmsd > 44.296)) ( attr rmsd < 0.877 and attr rmsd > 0.777) 6 6 0 peak 2477 ppm1 1.657 ppm2 0.827 volume 0.5788 assi ((( attr rmsd < 1.385) and (attr rmsd > 1.285)) and bondedto(attr rmsd < 45.304 and attr rmsd > 44.304)) ( attr rmsd < 1.719 and attr rmsd > 1.619) 6 6 0 peak 2478 ppm1 1.335 ppm2 1.669 volume 0.5854 assi ((( attr rmsd < 1.383) and (attr rmsd > 1.283)) and bondedto(attr rmsd < 45.325 and attr rmsd > 44.325)) ( attr rmsd < 0.878 and attr rmsd > 0.778) 6 6 0 peak 2479 ppm1 1.333 ppm2 0.828 volume 0.6609 assi ((( attr rmsd < 1.365) and (attr rmsd > 1.265)) and bondedto(attr rmsd < 45.420 and attr rmsd > 44.420)) ( attr rmsd < 1.380 and attr rmsd > 1.280) 6 6 0 peak 2480 ppm1 1.315 ppm2 1.330 volume 1.1409 assi ((( attr rmsd < 1.284) and (attr rmsd > 1.184)) and bondedto(attr rmsd < 45.367 and attr rmsd > 44.367)) ( attr rmsd < 1.289 and attr rmsd > 1.189) 6 6 0 peak 2481 ppm1 1.234 ppm2 1.239 volume 2.4827 assi ((( attr rmsd < 1.069) and (attr rmsd > 0.969)) and bondedto(attr rmsd < 45.368 and attr rmsd > 44.368)) ( attr rmsd < 0.546 and attr rmsd > 0.446) 6 6 0 peak 2482 ppm1 1.019 ppm2 0.496 volume 0.6511 assi ((( attr rmsd < 1.006) and (attr rmsd > 0.906)) and bondedto(attr rmsd < 45.281 and attr rmsd > 44.281)) ( attr rmsd < 1.112 and attr rmsd > 1.012) 6 6 0 peak 2483 ppm1 0.956 ppm2 1.062 volume 7.9061 assi ((( attr rmsd < 0.996) and (attr rmsd > 0.896)) and bondedto(attr rmsd < 45.360 and attr rmsd > 44.360)) ( attr rmsd < 3.473 and attr rmsd > 3.373) 6 6 0 peak 2484 ppm1 0.946 ppm2 3.423 volume 0.1568 assi ((( attr rmsd < 0.993) and (attr rmsd > 0.893)) and bondedto(attr rmsd < 45.309 and attr rmsd > 44.309)) ( attr rmsd < 0.895 and attr rmsd > 0.795) 6 6 0 peak 2485 ppm1 0.943 ppm2 0.845 volume 18.5175 assi ((( attr rmsd < 0.998) and (attr rmsd > 0.898)) and bondedto(attr rmsd < 45.304 and attr rmsd > 44.304)) ( attr rmsd < 0.556 and attr rmsd > 0.456) 6 6 0 peak 2486 ppm1 0.948 ppm2 0.506 volume 2.9703 assi ((( attr rmsd < 0.998) and (attr rmsd > 0.898)) and bondedto(attr rmsd < 45.307 and attr rmsd > 44.307)) ( attr rmsd < 0.474 and attr rmsd > 0.374) 6 6 0 peak 2487 ppm1 0.948 ppm2 0.424 volume 2.8880 assi ((( attr rmsd < 0.634) and (attr rmsd > 0.534)) and bondedto(attr rmsd < 45.293 and attr rmsd > 44.293)) ( attr rmsd < 0.901 and attr rmsd > 0.801) 6 6 0 peak 2488 ppm1 0.584 ppm2 0.851 volume 0.1730 assi ((( attr rmsd < 0.632) and (attr rmsd > 0.532)) and bondedto(attr rmsd < 45.295 and attr rmsd > 44.295)) ( attr rmsd < 0.635 and attr rmsd > 0.535) 6 6 0 peak 2489 ppm1 0.582 ppm2 0.585 volume 2.0169 assi ((( attr rmsd < 5.500) and (attr rmsd > 5.400)) and bondedto(attr rmsd < 68.900 and attr rmsd > 67.900)) ( attr rmsd < 4.619 and attr rmsd > 4.519) 6 6 0 peak 12490 ppm1 5.450 ppm2 4.569 volume 0.1455 assi ((( attr rmsd < 5.500) and (attr rmsd > 5.400)) and bondedto(attr rmsd < 21.380 and attr rmsd > 20.380)) ( attr rmsd < 4.619 and attr rmsd > 4.519) 6 6 0 peak 22490 ppm1 5.450 ppm2 4.569 volume 0.1455 assi ((( attr rmsd < 4.991) and (attr rmsd > 4.891)) and bondedto(attr rmsd < 68.855 and attr rmsd > 67.855)) ( attr rmsd < 4.621 and attr rmsd > 4.521) 6 6 0 peak 12491 ppm1 4.941 ppm2 4.571 volume 0.5515 assi ((( attr rmsd < 4.991) and (attr rmsd > 4.891)) and bondedto(attr rmsd < 21.335 and attr rmsd > 20.335)) ( attr rmsd < 4.621 and attr rmsd > 4.521) 6 6 0 peak 22491 ppm1 4.941 ppm2 4.571 volume 0.5515 assi ((( attr rmsd < 4.910) and (attr rmsd > 4.810)) and bondedto(attr rmsd < 68.870 and attr rmsd > 67.870)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 12492 ppm1 4.860 ppm2 4.778 volume 0.2599 assi ((( attr rmsd < 4.910) and (attr rmsd > 4.810)) and bondedto(attr rmsd < 21.350 and attr rmsd > 20.350)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 22492 ppm1 4.860 ppm2 4.778 volume 0.2599 assi ((( attr rmsd < 4.891) and (attr rmsd > 4.791)) and bondedto(attr rmsd < 68.959 and attr rmsd > 67.959)) ( attr rmsd < 1.017 and attr rmsd > 0.917) 6 6 0 peak 12493 ppm1 4.841 ppm2 0.967 volume 1.9809 assi ((( attr rmsd < 4.891) and (attr rmsd > 4.791)) and bondedto(attr rmsd < 21.439 and attr rmsd > 20.439)) ( attr rmsd < 1.017 and attr rmsd > 0.917) 6 6 0 peak 22493 ppm1 4.841 ppm2 0.967 volume 1.9809 assi ((( attr rmsd < 4.838) and (attr rmsd > 4.738)) and bondedto(attr rmsd < 68.902 and attr rmsd > 67.902)) ( attr rmsd < 4.620 and attr rmsd > 4.520) 6 6 0 peak 12494 ppm1 4.788 ppm2 4.570 volume 0.1907 assi ((( attr rmsd < 4.838) and (attr rmsd > 4.738)) and bondedto(attr rmsd < 21.382 and attr rmsd > 20.382)) ( attr rmsd < 4.620 and attr rmsd > 4.520) 6 6 0 peak 22494 ppm1 4.788 ppm2 4.570 volume 0.1907 assi ((( attr rmsd < 4.782) and (attr rmsd > 4.682)) and bondedto(attr rmsd < 68.883 and attr rmsd > 67.883)) ( attr rmsd < 4.623 and attr rmsd > 4.523) 6 6 0 peak 12495 ppm1 4.732 ppm2 4.573 volume 0.3055 assi ((( attr rmsd < 4.782) and (attr rmsd > 4.682)) and bondedto(attr rmsd < 21.363 and attr rmsd > 20.363)) ( attr rmsd < 4.623 and attr rmsd > 4.523) 6 6 0 peak 22495 ppm1 4.732 ppm2 4.573 volume 0.3055 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 69.018 and attr rmsd > 68.018)) ( attr rmsd < 1.264 and attr rmsd > 1.164) 6 6 0 peak 12496 ppm1 4.731 ppm2 1.214 volume 0.1735 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 21.498 and attr rmsd > 20.498)) ( attr rmsd < 1.264 and attr rmsd > 1.164) 6 6 0 peak 22496 ppm1 4.731 ppm2 1.214 volume 0.1735 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 69.035 and attr rmsd > 68.035)) ( attr rmsd < 1.068 and attr rmsd > 0.968) 6 6 0 peak 12497 ppm1 4.712 ppm2 1.018 volume 0.3649 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 21.515 and attr rmsd > 20.515)) ( attr rmsd < 1.068 and attr rmsd > 0.968) 6 6 0 peak 22497 ppm1 4.712 ppm2 1.018 volume 0.3649 assi ((( attr rmsd < 4.609) and (attr rmsd > 4.509)) and bondedto(attr rmsd < 68.969 and attr rmsd > 67.969)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 12498 ppm1 4.559 ppm2 4.773 volume 1.1437 assi ((( attr rmsd < 4.609) and (attr rmsd > 4.509)) and bondedto(attr rmsd < 21.449 and attr rmsd > 20.449)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 22498 ppm1 4.559 ppm2 4.773 volume 1.1437 assi ((( attr rmsd < 3.916) and (attr rmsd > 3.816)) and bondedto(attr rmsd < 68.982 and attr rmsd > 67.982)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 12499 ppm1 3.866 ppm2 3.867 volume 2.9126 assi ((( attr rmsd < 3.916) and (attr rmsd > 3.816)) and bondedto(attr rmsd < 21.462 and attr rmsd > 20.462)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 22499 ppm1 3.866 ppm2 3.867 volume 2.9126 assi ((( attr rmsd < 2.114) and (attr rmsd > 2.014)) and bondedto(attr rmsd < 68.989 and attr rmsd > 67.989)) ( attr rmsd < 1.008 and attr rmsd > 0.908) 6 6 0 peak 12500 ppm1 2.064 ppm2 0.958 volume 0.8099 assi ((( attr rmsd < 2.114) and (attr rmsd > 2.014)) and bondedto(attr rmsd < 21.469 and attr rmsd > 20.469)) ( attr rmsd < 1.008 and attr rmsd > 0.908) 6 6 0 peak 22500 ppm1 2.064 ppm2 0.958 volume 0.8099 assi ((( attr rmsd < 1.476) and (attr rmsd > 1.376)) and bondedto(attr rmsd < 68.922 and attr rmsd > 67.922)) ( attr rmsd < 1.483 and attr rmsd > 1.383) 6 6 0 peak 12501 ppm1 1.426 ppm2 1.433 volume 0.3687 assi ((( attr rmsd < 1.476) and (attr rmsd > 1.376)) and bondedto(attr rmsd < 21.402 and attr rmsd > 20.402)) ( attr rmsd < 1.483 and attr rmsd > 1.383) 6 6 0 peak 22501 ppm1 1.426 ppm2 1.433 volume 0.3687 assi ((( attr rmsd < 1.024) and (attr rmsd > 0.924)) and bondedto(attr rmsd < 68.891 and attr rmsd > 67.891)) ( attr rmsd < 1.609 and attr rmsd > 1.509) 6 6 0 peak 12502 ppm1 0.974 ppm2 1.559 volume 0.2863 assi ((( attr rmsd < 1.024) and (attr rmsd > 0.924)) and bondedto(attr rmsd < 21.371 and attr rmsd > 20.371)) ( attr rmsd < 1.609 and attr rmsd > 1.509) 6 6 0 peak 22502 ppm1 0.974 ppm2 1.559 volume 0.2863 assi ((( attr rmsd < 1.026) and (attr rmsd > 0.926)) and bondedto(attr rmsd < 68.870 and attr rmsd > 67.870)) ( attr rmsd < 1.537 and attr rmsd > 1.437) 6 6 0 peak 12503 ppm1 0.976 ppm2 1.487 volume 0.2153 assi ((( attr rmsd < 1.026) and (attr rmsd > 0.926)) and bondedto(attr rmsd < 21.350 and attr rmsd > 20.350)) ( attr rmsd < 1.537 and attr rmsd > 1.437) 6 6 0 peak 22503 ppm1 0.976 ppm2 1.487 volume 0.2153 assi ((( attr rmsd < 1.025) and (attr rmsd > 0.925)) and bondedto(attr rmsd < 68.937 and attr rmsd > 67.937)) ( attr rmsd < 1.376 and attr rmsd > 1.276) 6 6 0 peak 12504 ppm1 0.975 ppm2 1.326 volume 0.2461 assi ((( attr rmsd < 1.025) and (attr rmsd > 0.925)) and bondedto(attr rmsd < 21.417 and attr rmsd > 20.417)) ( attr rmsd < 1.376 and attr rmsd > 1.276) 6 6 0 peak 22504 ppm1 0.975 ppm2 1.326 volume 0.2461 assi ((( attr rmsd < 1.024) and (attr rmsd > 0.924)) and bondedto(attr rmsd < 68.882 and attr rmsd > 67.882)) ( attr rmsd < 1.299 and attr rmsd > 1.199) 6 6 0 peak 12505 ppm1 0.974 ppm2 1.249 volume 0.1921 assi ((( attr rmsd < 1.024) and (attr rmsd > 0.924)) and bondedto(attr rmsd < 21.362 and attr rmsd > 20.362)) ( attr rmsd < 1.299 and attr rmsd > 1.199) 6 6 0 peak 22505 ppm1 0.974 ppm2 1.249 volume 0.1921 assi ((( attr rmsd < 1.008) and (attr rmsd > 0.908)) and bondedto(attr rmsd < 68.955 and attr rmsd > 67.955)) ( attr rmsd < 4.156 and attr rmsd > 4.056) 6 6 0 peak 12506 ppm1 0.958 ppm2 4.106 volume 0.3210 assi ((( attr rmsd < 1.008) and (attr rmsd > 0.908)) and bondedto(attr rmsd < 21.435 and attr rmsd > 20.435)) ( attr rmsd < 4.156 and attr rmsd > 4.056) 6 6 0 peak 22506 ppm1 0.958 ppm2 4.106 volume 0.3210 assi ((( attr rmsd < 1.007) and (attr rmsd > 0.907)) and bondedto(attr rmsd < 68.976 and attr rmsd > 67.976)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 12507 ppm1 0.957 ppm2 0.966 volume 182.9152 assi ((( attr rmsd < 1.007) and (attr rmsd > 0.907)) and bondedto(attr rmsd < 21.456 and attr rmsd > 20.456)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 22507 ppm1 0.957 ppm2 0.966 volume 182.9152 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) and bondedto(attr rmsd < 68.916 and attr rmsd > 67.916)) ( attr rmsd < 2.082 and attr rmsd > 1.982) 6 6 0 peak 12508 ppm1 0.928 ppm2 2.032 volume 1.4217 assi ((( attr rmsd < 0.978) and (attr rmsd > 0.878)) and bondedto(attr rmsd < 21.396 and attr rmsd > 20.396)) ( attr rmsd < 2.082 and attr rmsd > 1.982) 6 6 0 peak 22508 ppm1 0.928 ppm2 2.032 volume 1.4217 assi ((( attr rmsd < 0.985) and (attr rmsd > 0.885)) and bondedto(attr rmsd < 68.871 and attr rmsd > 67.871)) ( attr rmsd < 1.656 and attr rmsd > 1.556) 6 6 0 peak 12509 ppm1 0.935 ppm2 1.606 volume 0.2902 assi ((( attr rmsd < 0.985) and (attr rmsd > 0.885)) and bondedto(attr rmsd < 21.351 and attr rmsd > 20.351)) ( attr rmsd < 1.656 and attr rmsd > 1.556) 6 6 0 peak 22509 ppm1 0.935 ppm2 1.606 volume 0.2902 assi ((( attr rmsd < 0.575) and (attr rmsd > 0.475)) and bondedto(attr rmsd < 68.991 and attr rmsd > 67.991)) ( attr rmsd < 1.010 and attr rmsd > 0.910) 6 6 0 peak 12510 ppm1 0.525 ppm2 0.960 volume 0.2986 assi ((( attr rmsd < 0.575) and (attr rmsd > 0.475)) and bondedto(attr rmsd < 21.471 and attr rmsd > 20.471)) ( attr rmsd < 1.010 and attr rmsd > 0.910) 6 6 0 peak 22510 ppm1 0.525 ppm2 0.960 volume 0.2986 assi ((( attr rmsd < 4.909) and (attr rmsd > 4.809)) and bondedto(attr rmsd < 45.263 and attr rmsd > 44.263)) ( attr rmsd < 3.619 and attr rmsd > 3.519) 6 6 0 peak 2511 ppm1 4.859 ppm2 3.569 volume 0.2190 assi ((( attr rmsd < 4.804) and (attr rmsd > 4.704)) and bondedto(attr rmsd < 45.227 and attr rmsd > 44.227)) ( attr rmsd < 1.018 and attr rmsd > 0.918) 6 6 0 peak 2512 ppm1 4.754 ppm2 0.968 volume 0.5393 assi ((( attr rmsd < 4.776) and (attr rmsd > 4.676)) and bondedto(attr rmsd < 45.240 and attr rmsd > 44.240)) ( attr rmsd < 3.629 and attr rmsd > 3.529) 6 6 0 peak 2513 ppm1 4.726 ppm2 3.579 volume 0.1579 assi ((( attr rmsd < 4.737) and (attr rmsd > 4.637)) and bondedto(attr rmsd < 45.276 and attr rmsd > 44.276)) ( attr rmsd < 1.265 and attr rmsd > 1.165) 6 6 0 peak 2514 ppm1 4.687 ppm2 1.215 volume 0.3466 assi ((( attr rmsd < 4.413) and (attr rmsd > 4.313)) and bondedto(attr rmsd < 45.215 and attr rmsd > 44.215)) ( attr rmsd < 1.012 and attr rmsd > 0.912) 6 6 0 peak 2515 ppm1 4.363 ppm2 0.962 volume 0.7083 assi ((( attr rmsd < 4.370) and (attr rmsd > 4.270)) and bondedto(attr rmsd < 45.196 and attr rmsd > 44.196)) ( attr rmsd < 1.010 and attr rmsd > 0.910) 6 6 0 peak 2516 ppm1 4.320 ppm2 0.960 volume 0.6836 assi ((( attr rmsd < 3.921) and (attr rmsd > 3.821)) and bondedto(attr rmsd < 45.216 and attr rmsd > 44.216)) ( attr rmsd < 3.829 and attr rmsd > 3.729) 6 6 0 peak 2517 ppm1 3.871 ppm2 3.779 volume 0.2922 assi ((( attr rmsd < 1.389) and (attr rmsd > 1.289)) and bondedto(attr rmsd < 45.257 and attr rmsd > 44.257)) ( attr rmsd < 5.011 and attr rmsd > 4.911) 6 6 0 peak 2518 ppm1 1.339 ppm2 4.961 volume 0.1873 assi ((( attr rmsd < 1.083) and (attr rmsd > 0.983)) and bondedto(attr rmsd < 45.273 and attr rmsd > 44.273)) ( attr rmsd < 1.191 and attr rmsd > 1.091) 6 6 0 peak 2519 ppm1 1.033 ppm2 1.141 volume 0.8657 assi ((( attr rmsd < 0.959) and (attr rmsd > 0.859)) and bondedto(attr rmsd < 45.193 and attr rmsd > 44.193)) ( attr rmsd < 1.076 and attr rmsd > 0.976) 6 6 0 peak 2520 ppm1 0.909 ppm2 1.026 volume 1.5960 assi ((( attr rmsd < 0.933) and (attr rmsd > 0.833)) and bondedto(attr rmsd < 45.091 and attr rmsd > 44.091)) ( attr rmsd < 1.150 and attr rmsd > 1.050) 6 6 0 peak 2521 ppm1 0.883 ppm2 1.100 volume 0.1816 assi ((( attr rmsd < 0.828) and (attr rmsd > 0.728)) and bondedto(attr rmsd < 45.193 and attr rmsd > 44.193)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 2522 ppm1 0.778 ppm2 0.966 volume 0.3031 assi ((( attr rmsd < 0.710) and (attr rmsd > 0.610)) and bondedto(attr rmsd < 45.153 and attr rmsd > 44.153)) ( attr rmsd < 1.023 and attr rmsd > 0.923) 6 6 0 peak 2523 ppm1 0.660 ppm2 0.973 volume 0.3569 assi ((( attr rmsd < 0.637) and (attr rmsd > 0.537)) and bondedto(attr rmsd < 45.214 and attr rmsd > 44.214)) ( attr rmsd < 1.010 and attr rmsd > 0.910) 6 6 0 peak 2524 ppm1 0.587 ppm2 0.960 volume 0.5694 assi ((( attr rmsd < 4.954) and (attr rmsd > 4.854)) and bondedto(attr rmsd < 68.781 and attr rmsd > 67.781)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 12525 ppm1 4.904 ppm2 4.777 volume 0.3028 assi ((( attr rmsd < 4.954) and (attr rmsd > 4.854)) and bondedto(attr rmsd < 21.261 and attr rmsd > 20.261)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 22525 ppm1 4.904 ppm2 4.777 volume 0.3028 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 68.846 and attr rmsd > 67.846)) ( attr rmsd < 4.624 and attr rmsd > 4.524) 6 6 0 peak 12526 ppm1 4.868 ppm2 4.574 volume 0.7598 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 21.326 and attr rmsd > 20.326)) ( attr rmsd < 4.624 and attr rmsd > 4.524) 6 6 0 peak 22526 ppm1 4.868 ppm2 4.574 volume 0.7598 assi ((( attr rmsd < 4.619) and (attr rmsd > 4.519)) and bondedto(attr rmsd < 68.808 and attr rmsd > 67.808)) ( attr rmsd < 4.623 and attr rmsd > 4.523) 6 6 0 peak 12527 ppm1 4.569 ppm2 4.573 volume 5.3433 assi ((( attr rmsd < 4.619) and (attr rmsd > 4.519)) and bondedto(attr rmsd < 21.288 and attr rmsd > 20.288)) ( attr rmsd < 4.623 and attr rmsd > 4.523) 6 6 0 peak 22527 ppm1 4.569 ppm2 4.573 volume 5.3433 assi ((( attr rmsd < 3.121) and (attr rmsd > 3.021)) and bondedto(attr rmsd < 68.810 and attr rmsd > 67.810)) ( attr rmsd < 3.137 and attr rmsd > 3.037) 6 6 0 peak 12528 ppm1 3.071 ppm2 3.087 volume 0.5792 assi ((( attr rmsd < 3.121) and (attr rmsd > 3.021)) and bondedto(attr rmsd < 21.290 and attr rmsd > 20.290)) ( attr rmsd < 3.137 and attr rmsd > 3.037) 6 6 0 peak 22528 ppm1 3.071 ppm2 3.087 volume 0.5792 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 68.787 and attr rmsd > 67.787)) ( attr rmsd < 3.091 and attr rmsd > 2.991) 6 6 0 peak 12529 ppm1 3.029 ppm2 3.041 volume 1.0618 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 21.267 and attr rmsd > 20.267)) ( attr rmsd < 3.091 and attr rmsd > 2.991) 6 6 0 peak 22529 ppm1 3.029 ppm2 3.041 volume 1.0618 assi ((( attr rmsd < 2.155) and (attr rmsd > 2.055)) and bondedto(attr rmsd < 68.787 and attr rmsd > 67.787)) ( attr rmsd < 2.159 and attr rmsd > 2.059) 6 6 0 peak 12530 ppm1 2.105 ppm2 2.109 volume 0.6346 assi ((( attr rmsd < 2.155) and (attr rmsd > 2.055)) and bondedto(attr rmsd < 21.267 and attr rmsd > 20.267)) ( attr rmsd < 2.159 and attr rmsd > 2.059) 6 6 0 peak 22530 ppm1 2.105 ppm2 2.109 volume 0.6346 assi ((( attr rmsd < 2.063) and (attr rmsd > 1.963)) and bondedto(attr rmsd < 68.830 and attr rmsd > 67.830)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 12531 ppm1 2.013 ppm2 0.891 volume 0.3674 assi ((( attr rmsd < 2.063) and (attr rmsd > 1.963)) and bondedto(attr rmsd < 21.310 and attr rmsd > 20.310)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 22531 ppm1 2.013 ppm2 0.891 volume 0.3674 assi ((( attr rmsd < 1.566) and (attr rmsd > 1.466)) and bondedto(attr rmsd < 68.813 and attr rmsd > 67.813)) ( attr rmsd < 1.565 and attr rmsd > 1.465) 6 6 0 peak 12532 ppm1 1.516 ppm2 1.515 volume 0.1708 assi ((( attr rmsd < 1.566) and (attr rmsd > 1.466)) and bondedto(attr rmsd < 21.293 and attr rmsd > 20.293)) ( attr rmsd < 1.565 and attr rmsd > 1.465) 6 6 0 peak 22532 ppm1 1.516 ppm2 1.515 volume 0.1708 assi ((( attr rmsd < 1.230) and (attr rmsd > 1.130)) and bondedto(attr rmsd < 68.697 and attr rmsd > 67.697)) ( attr rmsd < 4.621 and attr rmsd > 4.521) 6 6 0 peak 12533 ppm1 1.180 ppm2 4.571 volume 0.2324 assi ((( attr rmsd < 1.230) and (attr rmsd > 1.130)) and bondedto(attr rmsd < 21.177 and attr rmsd > 20.177)) ( attr rmsd < 4.621 and attr rmsd > 4.521) 6 6 0 peak 22533 ppm1 1.180 ppm2 4.571 volume 0.2324 assi ((( attr rmsd < 1.214) and (attr rmsd > 1.114)) and bondedto(attr rmsd < 68.706 and attr rmsd > 67.706)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 12534 ppm1 1.164 ppm2 0.843 volume 0.1714 assi ((( attr rmsd < 1.214) and (attr rmsd > 1.114)) and bondedto(attr rmsd < 21.186 and attr rmsd > 20.186)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 22534 ppm1 1.164 ppm2 0.843 volume 0.1714 assi ((( attr rmsd < 1.030) and (attr rmsd > 0.930)) and bondedto(attr rmsd < 68.847 and attr rmsd > 67.847)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 12535 ppm1 0.980 ppm2 2.274 volume 0.1469 assi ((( attr rmsd < 1.030) and (attr rmsd > 0.930)) and bondedto(attr rmsd < 21.327 and attr rmsd > 20.327)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 22535 ppm1 0.980 ppm2 2.274 volume 0.1469 assi ((( attr rmsd < 1.027) and (attr rmsd > 0.927)) and bondedto(attr rmsd < 68.831 and attr rmsd > 67.831)) ( attr rmsd < 1.451 and attr rmsd > 1.351) 6 6 0 peak 12536 ppm1 0.977 ppm2 1.401 volume 0.2587 assi ((( attr rmsd < 1.027) and (attr rmsd > 0.927)) and bondedto(attr rmsd < 21.311 and attr rmsd > 20.311)) ( attr rmsd < 1.451 and attr rmsd > 1.351) 6 6 0 peak 22536 ppm1 0.977 ppm2 1.401 volume 0.2587 assi ((( attr rmsd < 0.968) and (attr rmsd > 0.868)) and bondedto(attr rmsd < 68.814 and attr rmsd > 67.814)) ( attr rmsd < 1.765 and attr rmsd > 1.665) 6 6 0 peak 12537 ppm1 0.918 ppm2 1.715 volume 0.2593 assi ((( attr rmsd < 0.968) and (attr rmsd > 0.868)) and bondedto(attr rmsd < 21.294 and attr rmsd > 20.294)) ( attr rmsd < 1.765 and attr rmsd > 1.665) 6 6 0 peak 22537 ppm1 0.918 ppm2 1.715 volume 0.2593 assi ((( attr rmsd < 0.886) and (attr rmsd > 0.786)) and bondedto(attr rmsd < 68.690 and attr rmsd > 67.690)) ( attr rmsd < 0.779 and attr rmsd > 0.679) 6 6 0 peak 12538 ppm1 0.836 ppm2 0.729 volume 0.3964 assi ((( attr rmsd < 0.886) and (attr rmsd > 0.786)) and bondedto(attr rmsd < 21.170 and attr rmsd > 20.170)) ( attr rmsd < 0.779 and attr rmsd > 0.679) 6 6 0 peak 22538 ppm1 0.836 ppm2 0.729 volume 0.3964 assi ((( attr rmsd < 0.887) and (attr rmsd > 0.787)) and bondedto(attr rmsd < 68.684 and attr rmsd > 67.684)) ( attr rmsd < 0.543 and attr rmsd > 0.443) 6 6 0 peak 12539 ppm1 0.837 ppm2 0.493 volume 0.1698 assi ((( attr rmsd < 0.887) and (attr rmsd > 0.787)) and bondedto(attr rmsd < 21.164 and attr rmsd > 20.164)) ( attr rmsd < 0.543 and attr rmsd > 0.443) 6 6 0 peak 22539 ppm1 0.837 ppm2 0.493 volume 0.1698 assi ((( attr rmsd < 4.882) and (attr rmsd > 4.782)) and bondedto(attr rmsd < 45.043 and attr rmsd > 44.043)) ( attr rmsd < 0.923 and attr rmsd > 0.823) 6 6 0 peak 2540 ppm1 4.832 ppm2 0.873 volume 0.1757 assi ((( attr rmsd < 4.738) and (attr rmsd > 4.638)) and bondedto(attr rmsd < 45.073 and attr rmsd > 44.073)) ( attr rmsd < 4.626 and attr rmsd > 4.526) 6 6 0 peak 2541 ppm1 4.688 ppm2 4.576 volume 1.1294 assi ((( attr rmsd < 4.735) and (attr rmsd > 4.635)) and bondedto(attr rmsd < 45.077 and attr rmsd > 44.077)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 2542 ppm1 4.685 ppm2 4.771 volume 0.2431 assi ((( attr rmsd < 4.617) and (attr rmsd > 4.517)) and bondedto(attr rmsd < 44.989 and attr rmsd > 43.989)) ( attr rmsd < 4.378 and attr rmsd > 4.278) 6 6 0 peak 2543 ppm1 4.567 ppm2 4.328 volume 0.1736 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 44.963 and attr rmsd > 43.963)) ( attr rmsd < 3.632 and attr rmsd > 3.532) 6 6 0 peak 2544 ppm1 3.581 ppm2 3.582 volume 1.8682 assi ((( attr rmsd < 3.246) and (attr rmsd > 3.146)) and bondedto(attr rmsd < 45.032 and attr rmsd > 44.032)) ( attr rmsd < 3.257 and attr rmsd > 3.157) 6 6 0 peak 2545 ppm1 3.196 ppm2 3.207 volume 0.5408 assi ((( attr rmsd < 3.047) and (attr rmsd > 2.947)) and bondedto(attr rmsd < 45.063 and attr rmsd > 44.063)) ( attr rmsd < 2.967 and attr rmsd > 2.867) 6 6 0 peak 2546 ppm1 2.997 ppm2 2.917 volume 0.2072 assi ((( attr rmsd < 1.040) and (attr rmsd > 0.940)) and bondedto(attr rmsd < 45.012 and attr rmsd > 44.012)) ( attr rmsd < 1.151 and attr rmsd > 1.051) 6 6 0 peak 2547 ppm1 0.990 ppm2 1.101 volume 1.3224 assi ((( attr rmsd < 1.013) and (attr rmsd > 0.913)) and bondedto(attr rmsd < 45.077 and attr rmsd > 44.077)) ( attr rmsd < 1.249 and attr rmsd > 1.149) 6 6 0 peak 2548 ppm1 0.963 ppm2 1.199 volume 0.3051 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 44.958 and attr rmsd > 43.958)) ( attr rmsd < 1.841 and attr rmsd > 1.741) 6 6 0 peak 2549 ppm1 0.865 ppm2 1.791 volume 0.1606 assi ((( attr rmsd < 0.889) and (attr rmsd > 0.789)) and bondedto(attr rmsd < 44.921 and attr rmsd > 43.921)) ( attr rmsd < 0.892 and attr rmsd > 0.792) 6 6 0 peak 2550 ppm1 0.839 ppm2 0.842 volume 3.2542 assi ((( attr rmsd < 0.700) and (attr rmsd > 0.600)) and bondedto(attr rmsd < 44.926 and attr rmsd > 43.926)) ( attr rmsd < 0.703 and attr rmsd > 0.603) 6 6 0 peak 2551 ppm1 0.650 ppm2 0.653 volume 0.6459 assi ((( attr rmsd < 0.263) and (attr rmsd > 0.163)) and bondedto(attr rmsd < 44.972 and attr rmsd > 43.972)) ( attr rmsd < 0.266 and attr rmsd > 0.166) 6 6 0 peak 2552 ppm1 0.213 ppm2 0.216 volume 0.9475 assi ((( attr rmsd < 4.623) and (attr rmsd > 4.523)) and bondedto(attr rmsd < 68.657 and attr rmsd > 67.657)) ( attr rmsd < 4.472 and attr rmsd > 4.372) 6 6 0 peak 12553 ppm1 4.573 ppm2 4.422 volume 0.6030 assi ((( attr rmsd < 4.623) and (attr rmsd > 4.523)) and bondedto(attr rmsd < 21.137 and attr rmsd > 20.137)) ( attr rmsd < 4.472 and attr rmsd > 4.372) 6 6 0 peak 22553 ppm1 4.573 ppm2 4.422 volume 0.6030 assi ((( attr rmsd < 3.341) and (attr rmsd > 3.241)) and bondedto(attr rmsd < 68.625 and attr rmsd > 67.625)) ( attr rmsd < 3.347 and attr rmsd > 3.247) 6 6 0 peak 12554 ppm1 3.291 ppm2 3.297 volume 1.4092 assi ((( attr rmsd < 3.341) and (attr rmsd > 3.241)) and bondedto(attr rmsd < 21.105 and attr rmsd > 20.105)) ( attr rmsd < 3.347 and attr rmsd > 3.247) 6 6 0 peak 22554 ppm1 3.291 ppm2 3.297 volume 1.4092 assi ((( attr rmsd < 1.226) and (attr rmsd > 1.126)) and bondedto(attr rmsd < 68.574 and attr rmsd > 67.574)) ( attr rmsd < 1.128 and attr rmsd > 1.028) 6 6 0 peak 12555 ppm1 1.176 ppm2 1.078 volume 0.2832 assi ((( attr rmsd < 1.226) and (attr rmsd > 1.126)) and bondedto(attr rmsd < 21.054 and attr rmsd > 20.054)) ( attr rmsd < 1.128 and attr rmsd > 1.028) 6 6 0 peak 22555 ppm1 1.176 ppm2 1.078 volume 0.2832 assi ((( attr rmsd < 1.154) and (attr rmsd > 1.054)) and bondedto(attr rmsd < 68.633 and attr rmsd > 67.633)) ( attr rmsd < 0.896 and attr rmsd > 0.796) 6 6 0 peak 12556 ppm1 1.104 ppm2 0.846 volume 0.1568 assi ((( attr rmsd < 1.154) and (attr rmsd > 1.054)) and bondedto(attr rmsd < 21.113 and attr rmsd > 20.113)) ( attr rmsd < 0.896 and attr rmsd > 0.796) 6 6 0 peak 22556 ppm1 1.104 ppm2 0.846 volume 0.1568 assi ((( attr rmsd < 1.028) and (attr rmsd > 0.928)) and bondedto(attr rmsd < 68.608 and attr rmsd > 67.608)) ( attr rmsd < 4.501 and attr rmsd > 4.401) 6 6 0 peak 12557 ppm1 0.978 ppm2 4.451 volume 0.8801 assi ((( attr rmsd < 1.028) and (attr rmsd > 0.928)) and bondedto(attr rmsd < 21.088 and attr rmsd > 20.088)) ( attr rmsd < 4.501 and attr rmsd > 4.401) 6 6 0 peak 22557 ppm1 0.978 ppm2 4.451 volume 0.8801 assi ((( attr rmsd < 1.032) and (attr rmsd > 0.932)) and bondedto(attr rmsd < 68.563 and attr rmsd > 67.563)) ( attr rmsd < 3.799 and attr rmsd > 3.699) 6 6 0 peak 12558 ppm1 0.982 ppm2 3.749 volume 0.1931 assi ((( attr rmsd < 1.032) and (attr rmsd > 0.932)) and bondedto(attr rmsd < 21.043 and attr rmsd > 20.043)) ( attr rmsd < 3.799 and attr rmsd > 3.699) 6 6 0 peak 22558 ppm1 0.982 ppm2 3.749 volume 0.1931 assi ((( attr rmsd < 1.027) and (attr rmsd > 0.927)) and bondedto(attr rmsd < 68.645 and attr rmsd > 67.645)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 12559 ppm1 0.977 ppm2 2.116 volume 1.3583 assi ((( attr rmsd < 1.027) and (attr rmsd > 0.927)) and bondedto(attr rmsd < 21.125 and attr rmsd > 20.125)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 22559 ppm1 0.977 ppm2 2.116 volume 1.3583 assi ((( attr rmsd < 0.773) and (attr rmsd > 0.673)) and bondedto(attr rmsd < 68.546 and attr rmsd > 67.546)) ( attr rmsd < 0.649 and attr rmsd > 0.549) 6 6 0 peak 12560 ppm1 0.723 ppm2 0.599 volume 0.1506 assi ((( attr rmsd < 0.773) and (attr rmsd > 0.673)) and bondedto(attr rmsd < 21.026 and attr rmsd > 20.026)) ( attr rmsd < 0.649 and attr rmsd > 0.549) 6 6 0 peak 22560 ppm1 0.723 ppm2 0.599 volume 0.1506 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 44.822 and attr rmsd > 43.822)) ( attr rmsd < 4.469 and attr rmsd > 4.369) 6 6 0 peak 2561 ppm1 4.690 ppm2 4.419 volume 0.1640 assi ((( attr rmsd < 4.634) and (attr rmsd > 4.534)) and bondedto(attr rmsd < 44.826 and attr rmsd > 43.826)) ( attr rmsd < 4.538 and attr rmsd > 4.438) 6 6 0 peak 2562 ppm1 4.584 ppm2 4.488 volume 0.1788 assi ((( attr rmsd < 3.337) and (attr rmsd > 3.237)) and bondedto(attr rmsd < 44.889 and attr rmsd > 43.889)) ( attr rmsd < 3.238 and attr rmsd > 3.138) 6 6 0 peak 2563 ppm1 3.287 ppm2 3.188 volume 0.1741 assi ((( attr rmsd < 1.238) and (attr rmsd > 1.138)) and bondedto(attr rmsd < 44.819 and attr rmsd > 43.819)) ( attr rmsd < 1.236 and attr rmsd > 1.136) 6 6 0 peak 2564 ppm1 1.188 ppm2 1.186 volume 2.4175 assi ((( attr rmsd < 1.170) and (attr rmsd > 1.070)) and bondedto(attr rmsd < 44.856 and attr rmsd > 43.856)) ( attr rmsd < 1.173 and attr rmsd > 1.073) 6 6 0 peak 2565 ppm1 1.120 ppm2 1.123 volume 1.7567 assi ((( attr rmsd < 0.781) and (attr rmsd > 0.681)) and bondedto(attr rmsd < 44.766 and attr rmsd > 43.766)) ( attr rmsd < 0.782 and attr rmsd > 0.682) 6 6 0 peak 2566 ppm1 0.731 ppm2 0.732 volume 2.0851 assi ((( attr rmsd < 3.267) and (attr rmsd > 3.167)) and bondedto(attr rmsd < 68.382 and attr rmsd > 67.382)) ( attr rmsd < 3.271 and attr rmsd > 3.171) 6 6 0 peak 12567 ppm1 3.217 ppm2 3.221 volume 3.0687 assi ((( attr rmsd < 3.267) and (attr rmsd > 3.167)) and bondedto(attr rmsd < 20.862 and attr rmsd > 19.862)) ( attr rmsd < 3.271 and attr rmsd > 3.171) 6 6 0 peak 22567 ppm1 3.217 ppm2 3.221 volume 3.0687 assi ((( attr rmsd < 3.176) and (attr rmsd > 3.076)) and bondedto(attr rmsd < 68.433 and attr rmsd > 67.433)) ( attr rmsd < 3.186 and attr rmsd > 3.086) 6 6 0 peak 12568 ppm1 3.126 ppm2 3.136 volume 0.7482 assi ((( attr rmsd < 3.176) and (attr rmsd > 3.076)) and bondedto(attr rmsd < 20.913 and attr rmsd > 19.913)) ( attr rmsd < 3.186 and attr rmsd > 3.086) 6 6 0 peak 22568 ppm1 3.126 ppm2 3.136 volume 0.7482 assi ((( attr rmsd < 1.334) and (attr rmsd > 1.234)) and bondedto(attr rmsd < 68.455 and attr rmsd > 67.455)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 12569 ppm1 1.284 ppm2 4.766 volume 0.1614 assi ((( attr rmsd < 1.334) and (attr rmsd > 1.234)) and bondedto(attr rmsd < 20.935 and attr rmsd > 19.935)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 22569 ppm1 1.284 ppm2 4.766 volume 0.1614 assi ((( attr rmsd < 1.341) and (attr rmsd > 1.241)) and bondedto(attr rmsd < 68.306 and attr rmsd > 67.306)) ( attr rmsd < 4.669 and attr rmsd > 4.569) 6 6 0 peak 12570 ppm1 1.291 ppm2 4.619 volume 0.2120 assi ((( attr rmsd < 1.341) and (attr rmsd > 1.241)) and bondedto(attr rmsd < 20.786 and attr rmsd > 19.786)) ( attr rmsd < 4.669 and attr rmsd > 4.569) 6 6 0 peak 22570 ppm1 1.291 ppm2 4.619 volume 0.2120 assi ((( attr rmsd < 1.341) and (attr rmsd > 1.241)) and bondedto(attr rmsd < 68.340 and attr rmsd > 67.340)) ( attr rmsd < 4.469 and attr rmsd > 4.369) 6 6 0 peak 12571 ppm1 1.291 ppm2 4.419 volume 1.2368 assi ((( attr rmsd < 1.341) and (attr rmsd > 1.241)) and bondedto(attr rmsd < 20.820 and attr rmsd > 19.820)) ( attr rmsd < 4.469 and attr rmsd > 4.369) 6 6 0 peak 22571 ppm1 1.291 ppm2 4.419 volume 1.2368 assi ((( attr rmsd < 1.341) and (attr rmsd > 1.241)) and bondedto(attr rmsd < 68.349 and attr rmsd > 67.349)) ( attr rmsd < 3.836 and attr rmsd > 3.736) 6 6 0 peak 12572 ppm1 1.291 ppm2 3.786 volume 0.7457 assi ((( attr rmsd < 1.341) and (attr rmsd > 1.241)) and bondedto(attr rmsd < 20.829 and attr rmsd > 19.829)) ( attr rmsd < 3.836 and attr rmsd > 3.736) 6 6 0 peak 22572 ppm1 1.291 ppm2 3.786 volume 0.7457 assi ((( attr rmsd < 1.340) and (attr rmsd > 1.240)) and bondedto(attr rmsd < 68.360 and attr rmsd > 67.360)) ( attr rmsd < 2.958 and attr rmsd > 2.858) 6 6 0 peak 12573 ppm1 1.290 ppm2 2.908 volume 0.3303 assi ((( attr rmsd < 1.340) and (attr rmsd > 1.240)) and bondedto(attr rmsd < 20.840 and attr rmsd > 19.840)) ( attr rmsd < 2.958 and attr rmsd > 2.858) 6 6 0 peak 22573 ppm1 1.290 ppm2 2.908 volume 0.3303 assi ((( attr rmsd < 1.343) and (attr rmsd > 1.243)) and bondedto(attr rmsd < 68.360 and attr rmsd > 67.360)) ( attr rmsd < 2.496 and attr rmsd > 2.396) 6 6 0 peak 12574 ppm1 1.293 ppm2 2.446 volume 0.2612 assi ((( attr rmsd < 1.343) and (attr rmsd > 1.243)) and bondedto(attr rmsd < 20.840 and attr rmsd > 19.840)) ( attr rmsd < 2.496 and attr rmsd > 2.396) 6 6 0 peak 22574 ppm1 1.293 ppm2 2.446 volume 0.2612 assi ((( attr rmsd < 1.339) and (attr rmsd > 1.239)) and bondedto(attr rmsd < 68.358 and attr rmsd > 67.358)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 12575 ppm1 1.289 ppm2 2.274 volume 0.3020 assi ((( attr rmsd < 1.339) and (attr rmsd > 1.239)) and bondedto(attr rmsd < 20.838 and attr rmsd > 19.838)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 22575 ppm1 1.289 ppm2 2.274 volume 0.3020 assi ((( attr rmsd < 1.340) and (attr rmsd > 1.240)) and bondedto(attr rmsd < 68.341 and attr rmsd > 67.341)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 12576 ppm1 1.290 ppm2 1.716 volume 0.6560 assi ((( attr rmsd < 1.340) and (attr rmsd > 1.240)) and bondedto(attr rmsd < 20.821 and attr rmsd > 19.821)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 22576 ppm1 1.290 ppm2 1.716 volume 0.6560 assi ((( attr rmsd < 1.343) and (attr rmsd > 1.243)) and bondedto(attr rmsd < 68.352 and attr rmsd > 67.352)) ( attr rmsd < 1.481 and attr rmsd > 1.381) 6 6 0 peak 12577 ppm1 1.293 ppm2 1.431 volume 1.3250 assi ((( attr rmsd < 1.343) and (attr rmsd > 1.243)) and bondedto(attr rmsd < 20.832 and attr rmsd > 19.832)) ( attr rmsd < 1.481 and attr rmsd > 1.381) 6 6 0 peak 22577 ppm1 1.293 ppm2 1.431 volume 1.3250 assi ((( attr rmsd < 1.339) and (attr rmsd > 1.239)) and bondedto(attr rmsd < 68.334 and attr rmsd > 67.334)) ( attr rmsd < 1.344 and attr rmsd > 1.244) 6 6 0 peak 12578 ppm1 1.289 ppm2 1.294 volume 17.4874 assi ((( attr rmsd < 1.339) and (attr rmsd > 1.239)) and bondedto(attr rmsd < 20.814 and attr rmsd > 19.814)) ( attr rmsd < 1.344 and attr rmsd > 1.244) 6 6 0 peak 22578 ppm1 1.289 ppm2 1.294 volume 17.4874 assi ((( attr rmsd < 1.337) and (attr rmsd > 1.237)) and bondedto(attr rmsd < 68.331 and attr rmsd > 67.331)) ( attr rmsd < 0.917 and attr rmsd > 0.817) 6 6 0 peak 12579 ppm1 1.287 ppm2 0.867 volume 0.7852 assi ((( attr rmsd < 1.337) and (attr rmsd > 1.237)) and bondedto(attr rmsd < 20.811 and attr rmsd > 19.811)) ( attr rmsd < 0.917 and attr rmsd > 0.817) 6 6 0 peak 22579 ppm1 1.287 ppm2 0.867 volume 0.7852 assi ((( attr rmsd < 1.343) and (attr rmsd > 1.243)) and bondedto(attr rmsd < 68.347 and attr rmsd > 67.347)) ( attr rmsd < 0.768 and attr rmsd > 0.668) 6 6 0 peak 12580 ppm1 1.293 ppm2 0.718 volume 2.3504 assi ((( attr rmsd < 1.343) and (attr rmsd > 1.243)) and bondedto(attr rmsd < 20.827 and attr rmsd > 19.827)) ( attr rmsd < 0.768 and attr rmsd > 0.668) 6 6 0 peak 22580 ppm1 1.293 ppm2 0.718 volume 2.3504 assi ((( attr rmsd < 1.338) and (attr rmsd > 1.238)) and bondedto(attr rmsd < 68.389 and attr rmsd > 67.389)) ( attr rmsd < 0.558 and attr rmsd > 0.458) 6 6 0 peak 12581 ppm1 1.288 ppm2 0.508 volume 0.2879 assi ((( attr rmsd < 1.338) and (attr rmsd > 1.238)) and bondedto(attr rmsd < 20.869 and attr rmsd > 19.869)) ( attr rmsd < 0.558 and attr rmsd > 0.458) 6 6 0 peak 22581 ppm1 1.288 ppm2 0.508 volume 0.2879 assi ((( attr rmsd < 1.027) and (attr rmsd > 0.927)) and bondedto(attr rmsd < 68.351 and attr rmsd > 67.351)) ( attr rmsd < 3.932 and attr rmsd > 3.832) 6 6 0 peak 12582 ppm1 0.977 ppm2 3.882 volume 0.1746 assi ((( attr rmsd < 1.027) and (attr rmsd > 0.927)) and bondedto(attr rmsd < 20.831 and attr rmsd > 19.831)) ( attr rmsd < 3.932 and attr rmsd > 3.832) 6 6 0 peak 22582 ppm1 0.977 ppm2 3.882 volume 0.1746 assi ((( attr rmsd < 0.490) and (attr rmsd > 0.390)) and bondedto(attr rmsd < 68.456 and attr rmsd > 67.456)) ( attr rmsd < 0.859 and attr rmsd > 0.759) 6 6 0 peak 12583 ppm1 0.440 ppm2 0.809 volume 0.2295 assi ((( attr rmsd < 0.490) and (attr rmsd > 0.390)) and bondedto(attr rmsd < 20.936 and attr rmsd > 19.936)) ( attr rmsd < 0.859 and attr rmsd > 0.759) 6 6 0 peak 22583 ppm1 0.440 ppm2 0.809 volume 0.2295 assi ((( attr rmsd < 0.496) and (attr rmsd > 0.396)) and bondedto(attr rmsd < 68.433 and attr rmsd > 67.433)) ( attr rmsd < 0.501 and attr rmsd > 0.401) 6 6 0 peak 12584 ppm1 0.446 ppm2 0.451 volume 2.7397 assi ((( attr rmsd < 0.496) and (attr rmsd > 0.396)) and bondedto(attr rmsd < 20.913 and attr rmsd > 19.913)) ( attr rmsd < 0.501 and attr rmsd > 0.401) 6 6 0 peak 22584 ppm1 0.446 ppm2 0.451 volume 2.7397 assi ((( attr rmsd < 4.741) and (attr rmsd > 4.641)) and bondedto(attr rmsd < 44.615 and attr rmsd > 43.615)) ( attr rmsd < 1.341 and attr rmsd > 1.241) 6 6 0 peak 2585 ppm1 4.691 ppm2 1.291 volume 0.2654 assi ((( attr rmsd < 3.267) and (attr rmsd > 3.167)) and bondedto(attr rmsd < 44.617 and attr rmsd > 43.617)) ( attr rmsd < 3.164 and attr rmsd > 3.064) 6 6 0 peak 2586 ppm1 3.217 ppm2 3.114 volume 0.3835 assi ((( attr rmsd < 3.118) and (attr rmsd > 3.018)) and bondedto(attr rmsd < 44.655 and attr rmsd > 43.655)) ( attr rmsd < 3.082 and attr rmsd > 2.982) 6 6 0 peak 2587 ppm1 3.068 ppm2 3.032 volume 0.2694 assi ((( attr rmsd < 3.052) and (attr rmsd > 2.952)) and bondedto(attr rmsd < 44.658 and attr rmsd > 43.658)) ( attr rmsd < 3.052 and attr rmsd > 2.952) 6 6 0 peak 2588 ppm1 3.002 ppm2 3.002 volume 0.7051 assi ((( attr rmsd < 2.995) and (attr rmsd > 2.895)) and bondedto(attr rmsd < 44.594 and attr rmsd > 43.594)) ( attr rmsd < 2.978 and attr rmsd > 2.878) 6 6 0 peak 2589 ppm1 2.945 ppm2 2.928 volume 0.1600 assi ((( attr rmsd < 2.174) and (attr rmsd > 2.074)) and bondedto(attr rmsd < 44.635 and attr rmsd > 43.635)) ( attr rmsd < 2.176 and attr rmsd > 2.076) 6 6 0 peak 2590 ppm1 2.124 ppm2 2.126 volume 0.4046 assi ((( attr rmsd < 1.587) and (attr rmsd > 1.487)) and bondedto(attr rmsd < 44.647 and attr rmsd > 43.647)) ( attr rmsd < 1.595 and attr rmsd > 1.495) 6 6 0 peak 2591 ppm1 1.537 ppm2 1.545 volume 0.3013 assi ((( attr rmsd < 1.476) and (attr rmsd > 1.376)) and bondedto(attr rmsd < 44.652 and attr rmsd > 43.652)) ( attr rmsd < 1.486 and attr rmsd > 1.386) 6 6 0 peak 2592 ppm1 1.426 ppm2 1.436 volume 0.1711 assi ((( attr rmsd < 1.342) and (attr rmsd > 1.242)) and bondedto(attr rmsd < 44.587 and attr rmsd > 43.587)) ( attr rmsd < 1.239 and attr rmsd > 1.139) 6 6 0 peak 2593 ppm1 1.292 ppm2 1.189 volume 1.2804 assi ((( attr rmsd < 1.341) and (attr rmsd > 1.241)) and bondedto(attr rmsd < 44.571 and attr rmsd > 43.571)) ( attr rmsd < 1.188 and attr rmsd > 1.088) 6 6 0 peak 2594 ppm1 1.291 ppm2 1.138 volume 0.5507 assi ((( attr rmsd < 1.339) and (attr rmsd > 1.239)) and bondedto(attr rmsd < 44.549 and attr rmsd > 43.549)) ( attr rmsd < 0.457 and attr rmsd > 0.357) 6 6 0 peak 2595 ppm1 1.289 ppm2 0.407 volume 0.3595 assi ((( attr rmsd < 0.495) and (attr rmsd > 0.395)) and bondedto(attr rmsd < 44.667 and attr rmsd > 43.667)) ( attr rmsd < 0.382 and attr rmsd > 0.282) 6 6 0 peak 2596 ppm1 0.445 ppm2 0.332 volume 0.1913 assi ((( attr rmsd < 4.867) and (attr rmsd > 4.767)) and bondedto(attr rmsd < 68.150 and attr rmsd > 67.150)) ( attr rmsd < 0.427 and attr rmsd > 0.327) 6 6 0 peak 12597 ppm1 4.817 ppm2 0.377 volume 0.3029 assi ((( attr rmsd < 4.867) and (attr rmsd > 4.767)) and bondedto(attr rmsd < 20.630 and attr rmsd > 19.630)) ( attr rmsd < 0.427 and attr rmsd > 0.327) 6 6 0 peak 22597 ppm1 4.817 ppm2 0.377 volume 0.3029 assi ((( attr rmsd < 4.745) and (attr rmsd > 4.645)) and bondedto(attr rmsd < 68.146 and attr rmsd > 67.146)) ( attr rmsd < 0.421 and attr rmsd > 0.321) 6 6 0 peak 12598 ppm1 4.695 ppm2 0.371 volume 0.1828 assi ((( attr rmsd < 4.745) and (attr rmsd > 4.645)) and bondedto(attr rmsd < 20.626 and attr rmsd > 19.626)) ( attr rmsd < 0.421 and attr rmsd > 0.321) 6 6 0 peak 22598 ppm1 4.695 ppm2 0.371 volume 0.1828 assi ((( attr rmsd < 2.162) and (attr rmsd > 2.062)) and bondedto(attr rmsd < 68.181 and attr rmsd > 67.181)) ( attr rmsd < 1.018 and attr rmsd > 0.918) 6 6 0 peak 12599 ppm1 2.112 ppm2 0.968 volume 0.1647 assi ((( attr rmsd < 2.162) and (attr rmsd > 2.062)) and bondedto(attr rmsd < 20.661 and attr rmsd > 19.661)) ( attr rmsd < 1.018 and attr rmsd > 0.918) 6 6 0 peak 22599 ppm1 2.112 ppm2 0.968 volume 0.1647 assi ((( attr rmsd < 0.417) and (attr rmsd > 0.317)) and bondedto(attr rmsd < 68.163 and attr rmsd > 67.163)) ( attr rmsd < 3.632 and attr rmsd > 3.532) 6 6 0 peak 12600 ppm1 0.367 ppm2 3.582 volume 0.6308 assi ((( attr rmsd < 0.417) and (attr rmsd > 0.317)) and bondedto(attr rmsd < 20.643 and attr rmsd > 19.643)) ( attr rmsd < 3.632 and attr rmsd > 3.532) 6 6 0 peak 22600 ppm1 0.367 ppm2 3.582 volume 0.6308 assi ((( attr rmsd < 0.416) and (attr rmsd > 0.316)) and bondedto(attr rmsd < 68.153 and attr rmsd > 67.153)) ( attr rmsd < 1.798 and attr rmsd > 1.698) 6 6 0 peak 12601 ppm1 0.366 ppm2 1.748 volume 1.0036 assi ((( attr rmsd < 0.416) and (attr rmsd > 0.316)) and bondedto(attr rmsd < 20.633 and attr rmsd > 19.633)) ( attr rmsd < 1.798 and attr rmsd > 1.698) 6 6 0 peak 22601 ppm1 0.366 ppm2 1.748 volume 1.0036 assi ((( attr rmsd < 0.418) and (attr rmsd > 0.318)) and bondedto(attr rmsd < 68.174 and attr rmsd > 67.174)) ( attr rmsd < 1.483 and attr rmsd > 1.383) 6 6 0 peak 12602 ppm1 0.368 ppm2 1.433 volume 0.1484 assi ((( attr rmsd < 0.418) and (attr rmsd > 0.318)) and bondedto(attr rmsd < 20.654 and attr rmsd > 19.654)) ( attr rmsd < 1.483 and attr rmsd > 1.383) 6 6 0 peak 22602 ppm1 0.368 ppm2 1.433 volume 0.1484 assi ((( attr rmsd < 0.411) and (attr rmsd > 0.311)) and bondedto(attr rmsd < 68.112 and attr rmsd > 67.112)) ( attr rmsd < 0.994 and attr rmsd > 0.894) 6 6 0 peak 12603 ppm1 0.361 ppm2 0.944 volume 0.2626 assi ((( attr rmsd < 0.411) and (attr rmsd > 0.311)) and bondedto(attr rmsd < 20.592 and attr rmsd > 19.592)) ( attr rmsd < 0.994 and attr rmsd > 0.894) 6 6 0 peak 22603 ppm1 0.361 ppm2 0.944 volume 0.2626 assi ((( attr rmsd < 0.413) and (attr rmsd > 0.313)) and bondedto(attr rmsd < 68.154 and attr rmsd > 67.154)) ( attr rmsd < 0.833 and attr rmsd > 0.733) 6 6 0 peak 12604 ppm1 0.363 ppm2 0.783 volume 1.9881 assi ((( attr rmsd < 0.413) and (attr rmsd > 0.313)) and bondedto(attr rmsd < 20.634 and attr rmsd > 19.634)) ( attr rmsd < 0.833 and attr rmsd > 0.733) 6 6 0 peak 22604 ppm1 0.363 ppm2 0.783 volume 1.9881 assi ((( attr rmsd < 0.411) and (attr rmsd > 0.311)) and bondedto(attr rmsd < 68.179 and attr rmsd > 67.179)) ( attr rmsd < 0.559 and attr rmsd > 0.459) 6 6 0 peak 12605 ppm1 0.361 ppm2 0.509 volume 0.1741 assi ((( attr rmsd < 0.411) and (attr rmsd > 0.311)) and bondedto(attr rmsd < 20.659 and attr rmsd > 19.659)) ( attr rmsd < 0.559 and attr rmsd > 0.459) 6 6 0 peak 22605 ppm1 0.361 ppm2 0.509 volume 0.1741 assi ((( attr rmsd < 0.417) and (attr rmsd > 0.317)) and bondedto(attr rmsd < 68.152 and attr rmsd > 67.152)) ( attr rmsd < 0.423 and attr rmsd > 0.323) 6 6 0 peak 12606 ppm1 0.367 ppm2 0.373 volume 23.2576 assi ((( attr rmsd < 0.417) and (attr rmsd > 0.317)) and bondedto(attr rmsd < 20.632 and attr rmsd > 19.632)) ( attr rmsd < 0.423 and attr rmsd > 0.323) 6 6 0 peak 22606 ppm1 0.367 ppm2 0.373 volume 23.2576 assi ((( attr rmsd < 4.701) and (attr rmsd > 4.601)) and bondedto(attr rmsd < 44.525 and attr rmsd > 43.525)) ( attr rmsd < 1.346 and attr rmsd > 1.246) 6 6 0 peak 2607 ppm1 4.651 ppm2 1.296 volume 0.1708 assi ((( attr rmsd < 4.614) and (attr rmsd > 4.514)) and bondedto(attr rmsd < 44.525 and attr rmsd > 43.525)) ( attr rmsd < 1.335 and attr rmsd > 1.235) 6 6 0 peak 2608 ppm1 4.564 ppm2 1.285 volume 0.1765 assi ((( attr rmsd < 4.246) and (attr rmsd > 4.146)) and bondedto(attr rmsd < 44.454 and attr rmsd > 43.454)) ( attr rmsd < 4.248 and attr rmsd > 4.148) 6 6 0 peak 2609 ppm1 4.196 ppm2 4.198 volume 0.4583 assi ((( attr rmsd < 1.344) and (attr rmsd > 1.244)) and bondedto(attr rmsd < 44.512 and attr rmsd > 43.512)) ( attr rmsd < 0.647 and attr rmsd > 0.547) 6 6 0 peak 2610 ppm1 1.294 ppm2 0.597 volume 0.2935 assi ((( attr rmsd < 1.083) and (attr rmsd > 0.983)) and bondedto(attr rmsd < 44.499 and attr rmsd > 43.499)) ( attr rmsd < 1.085 and attr rmsd > 0.985) 6 6 0 peak 2611 ppm1 1.033 ppm2 1.035 volume 2.6731 assi ((( attr rmsd < 0.632) and (attr rmsd > 0.532)) and bondedto(attr rmsd < 44.460 and attr rmsd > 43.460)) ( attr rmsd < 0.637 and attr rmsd > 0.537) 6 6 0 peak 2612 ppm1 0.582 ppm2 0.587 volume 0.4772 assi ((( attr rmsd < 0.415) and (attr rmsd > 0.315)) and bondedto(attr rmsd < 44.363 and attr rmsd > 43.363)) ( attr rmsd < 0.526 and attr rmsd > 0.426) 6 6 0 peak 2613 ppm1 0.365 ppm2 0.476 volume 0.5024 assi ((( attr rmsd < 4.044) and (attr rmsd > 3.944)) and bondedto(attr rmsd < 67.998 and attr rmsd > 66.998)) ( attr rmsd < 4.042 and attr rmsd > 3.942) 6 6 0 peak 12614 ppm1 3.994 ppm2 3.992 volume 0.2447 assi ((( attr rmsd < 4.044) and (attr rmsd > 3.944)) and bondedto(attr rmsd < 20.478 and attr rmsd > 19.478)) ( attr rmsd < 4.042 and attr rmsd > 3.942) 6 6 0 peak 22614 ppm1 3.994 ppm2 3.992 volume 0.2447 assi ((( attr rmsd < 3.993) and (attr rmsd > 3.893)) and bondedto(attr rmsd < 67.947 and attr rmsd > 66.947)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 12615 ppm1 3.943 ppm2 3.866 volume 0.1679 assi ((( attr rmsd < 3.993) and (attr rmsd > 3.893)) and bondedto(attr rmsd < 20.427 and attr rmsd > 19.427)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 22615 ppm1 3.943 ppm2 3.866 volume 0.1679 assi ((( attr rmsd < 3.912) and (attr rmsd > 3.812)) and bondedto(attr rmsd < 67.998 and attr rmsd > 66.998)) ( attr rmsd < 4.013 and attr rmsd > 3.913) 6 6 0 peak 12616 ppm1 3.862 ppm2 3.963 volume 3.5647 assi ((( attr rmsd < 3.912) and (attr rmsd > 3.812)) and bondedto(attr rmsd < 20.478 and attr rmsd > 19.478)) ( attr rmsd < 4.013 and attr rmsd > 3.913) 6 6 0 peak 22616 ppm1 3.862 ppm2 3.963 volume 3.5647 assi ((( attr rmsd < 3.917) and (attr rmsd > 3.817)) and bondedto(attr rmsd < 67.997 and attr rmsd > 66.997)) ( attr rmsd < 3.825 and attr rmsd > 3.725) 6 6 0 peak 12617 ppm1 3.867 ppm2 3.775 volume 6.8319 assi ((( attr rmsd < 3.917) and (attr rmsd > 3.817)) and bondedto(attr rmsd < 20.477 and attr rmsd > 19.477)) ( attr rmsd < 3.825 and attr rmsd > 3.725) 6 6 0 peak 22617 ppm1 3.867 ppm2 3.775 volume 6.8319 assi ((( attr rmsd < 3.849) and (attr rmsd > 3.749)) and bondedto(attr rmsd < 67.985 and attr rmsd > 66.985)) ( attr rmsd < 3.915 and attr rmsd > 3.815) 6 6 0 peak 12618 ppm1 3.799 ppm2 3.865 volume 1.0433 assi ((( attr rmsd < 3.849) and (attr rmsd > 3.749)) and bondedto(attr rmsd < 20.465 and attr rmsd > 19.465)) ( attr rmsd < 3.915 and attr rmsd > 3.815) 6 6 0 peak 22618 ppm1 3.799 ppm2 3.865 volume 1.0433 assi ((( attr rmsd < 3.344) and (attr rmsd > 3.244)) and bondedto(attr rmsd < 68.010 and attr rmsd > 67.010)) ( attr rmsd < 3.239 and attr rmsd > 3.139) 6 6 0 peak 12619 ppm1 3.294 ppm2 3.189 volume 1.5869 assi ((( attr rmsd < 3.344) and (attr rmsd > 3.244)) and bondedto(attr rmsd < 20.490 and attr rmsd > 19.490)) ( attr rmsd < 3.239 and attr rmsd > 3.139) 6 6 0 peak 22619 ppm1 3.294 ppm2 3.189 volume 1.5869 assi ((( attr rmsd < 3.064) and (attr rmsd > 2.964)) and bondedto(attr rmsd < 67.985 and attr rmsd > 66.985)) ( attr rmsd < 3.069 and attr rmsd > 2.969) 6 6 0 peak 12620 ppm1 3.014 ppm2 3.019 volume 3.0098 assi ((( attr rmsd < 3.064) and (attr rmsd > 2.964)) and bondedto(attr rmsd < 20.465 and attr rmsd > 19.465)) ( attr rmsd < 3.069 and attr rmsd > 2.969) 6 6 0 peak 22620 ppm1 3.014 ppm2 3.019 volume 3.0098 assi ((( attr rmsd < 2.160) and (attr rmsd > 2.060)) and bondedto(attr rmsd < 67.981 and attr rmsd > 66.981)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 12621 ppm1 2.110 ppm2 2.110 volume 0.7032 assi ((( attr rmsd < 2.160) and (attr rmsd > 2.060)) and bondedto(attr rmsd < 20.461 and attr rmsd > 19.461)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 22621 ppm1 2.110 ppm2 2.110 volume 0.7032 assi ((( attr rmsd < 1.563) and (attr rmsd > 1.463)) and bondedto(attr rmsd < 67.993 and attr rmsd > 66.993)) ( attr rmsd < 1.566 and attr rmsd > 1.466) 6 6 0 peak 12622 ppm1 1.513 ppm2 1.516 volume 0.8321 assi ((( attr rmsd < 1.563) and (attr rmsd > 1.463)) and bondedto(attr rmsd < 20.473 and attr rmsd > 19.473)) ( attr rmsd < 1.566 and attr rmsd > 1.466) 6 6 0 peak 22622 ppm1 1.513 ppm2 1.516 volume 0.8321 assi ((( attr rmsd < 1.134) and (attr rmsd > 1.034)) and bondedto(attr rmsd < 68.028 and attr rmsd > 67.028)) ( attr rmsd < 1.138 and attr rmsd > 1.038) 6 6 0 peak 12623 ppm1 1.084 ppm2 1.088 volume 0.4857 assi ((( attr rmsd < 1.134) and (attr rmsd > 1.034)) and bondedto(attr rmsd < 20.508 and attr rmsd > 19.508)) ( attr rmsd < 1.138 and attr rmsd > 1.038) 6 6 0 peak 22623 ppm1 1.084 ppm2 1.088 volume 0.4857 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 68.088 and attr rmsd > 67.088)) ( attr rmsd < 0.811 and attr rmsd > 0.711) 6 6 0 peak 12624 ppm1 0.849 ppm2 0.761 volume 0.3231 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 20.568 and attr rmsd > 19.568)) ( attr rmsd < 0.811 and attr rmsd > 0.711) 6 6 0 peak 22624 ppm1 0.849 ppm2 0.761 volume 0.3231 assi ((( attr rmsd < 0.436) and (attr rmsd > 0.336)) and bondedto(attr rmsd < 68.011 and attr rmsd > 67.011)) ( attr rmsd < 3.907 and attr rmsd > 3.807) 6 6 0 peak 12625 ppm1 0.386 ppm2 3.857 volume 0.1502 assi ((( attr rmsd < 0.436) and (attr rmsd > 0.336)) and bondedto(attr rmsd < 20.491 and attr rmsd > 19.491)) ( attr rmsd < 3.907 and attr rmsd > 3.807) 6 6 0 peak 22625 ppm1 0.386 ppm2 3.857 volume 0.1502 assi ((( attr rmsd < 5.052) and (attr rmsd > 4.952)) and bondedto(attr rmsd < 44.221 and attr rmsd > 43.221)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 2626 ppm1 5.002 ppm2 3.867 volume 0.2157 assi ((( attr rmsd < 5.020) and (attr rmsd > 4.920)) and bondedto(attr rmsd < 44.229 and attr rmsd > 43.229)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 2627 ppm1 4.970 ppm2 3.867 volume 0.3063 assi ((( attr rmsd < 4.895) and (attr rmsd > 4.795)) and bondedto(attr rmsd < 44.233 and attr rmsd > 43.233)) ( attr rmsd < 3.915 and attr rmsd > 3.815) 6 6 0 peak 2628 ppm1 4.845 ppm2 3.865 volume 1.8760 assi ((( attr rmsd < 4.758) and (attr rmsd > 4.658)) and bondedto(attr rmsd < 44.235 and attr rmsd > 43.235)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 2629 ppm1 4.708 ppm2 3.867 volume 2.3069 assi ((( attr rmsd < 4.670) and (attr rmsd > 4.570)) and bondedto(attr rmsd < 44.234 and attr rmsd > 43.234)) ( attr rmsd < 3.913 and attr rmsd > 3.813) 6 6 0 peak 2630 ppm1 4.620 ppm2 3.863 volume 0.3111 assi ((( attr rmsd < 3.922) and (attr rmsd > 3.822)) and bondedto(attr rmsd < 44.269 and attr rmsd > 43.269)) ( attr rmsd < 4.347 and attr rmsd > 4.247) 6 6 0 peak 2631 ppm1 3.872 ppm2 4.297 volume 0.1499 assi ((( attr rmsd < 3.917) and (attr rmsd > 3.817)) and bondedto(attr rmsd < 44.279 and attr rmsd > 43.279)) ( attr rmsd < 4.274 and attr rmsd > 4.174) 6 6 0 peak 2632 ppm1 3.867 ppm2 4.224 volume 0.1740 assi ((( attr rmsd < 3.918) and (attr rmsd > 3.818)) and bondedto(attr rmsd < 44.254 and attr rmsd > 43.254)) ( attr rmsd < 4.201 and attr rmsd > 4.101) 6 6 0 peak 2633 ppm1 3.868 ppm2 4.151 volume 0.1944 assi ((( attr rmsd < 3.914) and (attr rmsd > 3.814)) and bondedto(attr rmsd < 44.241 and attr rmsd > 43.241)) ( attr rmsd < 4.128 and attr rmsd > 4.028) 6 6 0 peak 2634 ppm1 3.864 ppm2 4.078 volume 0.1757 assi ((( attr rmsd < 3.912) and (attr rmsd > 3.812)) and bondedto(attr rmsd < 44.236 and attr rmsd > 43.236)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 2635 ppm1 3.862 ppm2 3.867 volume 58.4287 assi ((( attr rmsd < 3.729) and (attr rmsd > 3.629)) and bondedto(attr rmsd < 44.305 and attr rmsd > 43.305)) ( attr rmsd < 3.647 and attr rmsd > 3.547) 6 6 0 peak 2636 ppm1 3.679 ppm2 3.597 volume 0.3174 assi ((( attr rmsd < 3.104) and (attr rmsd > 3.004)) and bondedto(attr rmsd < 44.225 and attr rmsd > 43.225)) ( attr rmsd < 3.005 and attr rmsd > 2.905) 6 6 0 peak 2637 ppm1 3.054 ppm2 2.955 volume 0.2714 assi ((( attr rmsd < 3.057) and (attr rmsd > 2.957)) and bondedto(attr rmsd < 44.209 and attr rmsd > 43.209)) ( attr rmsd < 2.966 and attr rmsd > 2.866) 6 6 0 peak 2638 ppm1 3.007 ppm2 2.916 volume 0.4641 assi ((( attr rmsd < 2.174) and (attr rmsd > 2.074)) and bondedto(attr rmsd < 44.232 and attr rmsd > 43.232)) ( attr rmsd < 2.072 and attr rmsd > 1.972) 6 6 0 peak 2639 ppm1 2.124 ppm2 2.022 volume 0.1629 assi ((( attr rmsd < 0.904) and (attr rmsd > 0.804)) and bondedto(attr rmsd < 44.197 and attr rmsd > 43.197)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 2640 ppm1 0.854 ppm2 0.858 volume 1.1105 assi ((( attr rmsd < 0.707) and (attr rmsd > 0.607)) and bondedto(attr rmsd < 44.232 and attr rmsd > 43.232)) ( attr rmsd < 0.717 and attr rmsd > 0.617) 6 6 0 peak 2641 ppm1 0.657 ppm2 0.667 volume 0.3517 assi ((( attr rmsd < 0.414) and (attr rmsd > 0.314)) and bondedto(attr rmsd < 44.333 and attr rmsd > 43.333)) ( attr rmsd < 0.620 and attr rmsd > 0.520) 6 6 0 peak 2642 ppm1 0.364 ppm2 0.570 volume 0.1550 assi ((( attr rmsd < 4.882) and (attr rmsd > 4.782)) and bondedto(attr rmsd < 67.851 and attr rmsd > 66.851)) ( attr rmsd < 0.260 and attr rmsd > 0.160) 6 6 0 peak 12643 ppm1 4.832 ppm2 0.210 volume 0.3047 assi ((( attr rmsd < 4.882) and (attr rmsd > 4.782)) and bondedto(attr rmsd < 20.331 and attr rmsd > 19.331)) ( attr rmsd < 0.260 and attr rmsd > 0.160) 6 6 0 peak 22643 ppm1 4.832 ppm2 0.210 volume 0.3047 assi ((( attr rmsd < 4.745) and (attr rmsd > 4.645)) and bondedto(attr rmsd < 67.804 and attr rmsd > 66.804)) ( attr rmsd < 0.265 and attr rmsd > 0.165) 6 6 0 peak 12644 ppm1 4.695 ppm2 0.215 volume 0.2369 assi ((( attr rmsd < 4.745) and (attr rmsd > 4.645)) and bondedto(attr rmsd < 20.284 and attr rmsd > 19.284)) ( attr rmsd < 0.265 and attr rmsd > 0.165) 6 6 0 peak 22644 ppm1 4.695 ppm2 0.215 volume 0.2369 assi ((( attr rmsd < 3.351) and (attr rmsd > 3.251)) and bondedto(attr rmsd < 67.767 and attr rmsd > 66.767)) ( attr rmsd < 3.464 and attr rmsd > 3.364) 6 6 0 peak 12645 ppm1 3.301 ppm2 3.414 volume 0.4640 assi ((( attr rmsd < 3.351) and (attr rmsd > 3.251)) and bondedto(attr rmsd < 20.247 and attr rmsd > 19.247)) ( attr rmsd < 3.464 and attr rmsd > 3.364) 6 6 0 peak 22645 ppm1 3.301 ppm2 3.414 volume 0.4640 assi ((( attr rmsd < 1.208) and (attr rmsd > 1.108)) and bondedto(attr rmsd < 67.765 and attr rmsd > 66.765)) ( attr rmsd < 1.012 and attr rmsd > 0.912) 6 6 0 peak 12646 ppm1 1.158 ppm2 0.962 volume 0.1792 assi ((( attr rmsd < 1.208) and (attr rmsd > 1.108)) and bondedto(attr rmsd < 20.245 and attr rmsd > 19.245)) ( attr rmsd < 1.012 and attr rmsd > 0.912) 6 6 0 peak 22646 ppm1 1.158 ppm2 0.962 volume 0.1792 assi ((( attr rmsd < 1.131) and (attr rmsd > 1.031)) and bondedto(attr rmsd < 67.880 and attr rmsd > 66.880)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 12647 ppm1 1.081 ppm2 4.777 volume 0.2853 assi ((( attr rmsd < 1.131) and (attr rmsd > 1.031)) and bondedto(attr rmsd < 20.360 and attr rmsd > 19.360)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 22647 ppm1 1.081 ppm2 4.777 volume 0.2853 assi ((( attr rmsd < 1.022) and (attr rmsd > 0.922)) and bondedto(attr rmsd < 67.803 and attr rmsd > 66.803)) ( attr rmsd < 0.929 and attr rmsd > 0.829) 6 6 0 peak 12648 ppm1 0.972 ppm2 0.879 volume 1.4438 assi ((( attr rmsd < 1.022) and (attr rmsd > 0.922)) and bondedto(attr rmsd < 20.283 and attr rmsd > 19.283)) ( attr rmsd < 0.929 and attr rmsd > 0.829) 6 6 0 peak 22648 ppm1 0.972 ppm2 0.879 volume 1.4438 assi ((( attr rmsd < 1.011) and (attr rmsd > 0.911)) and bondedto(attr rmsd < 67.767 and attr rmsd > 66.767)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 12649 ppm1 0.961 ppm2 -0.011 volume 0.2378 assi ((( attr rmsd < 1.011) and (attr rmsd > 0.911)) and bondedto(attr rmsd < 20.247 and attr rmsd > 19.247)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 22649 ppm1 0.961 ppm2 -0.011 volume 0.2378 assi ((( attr rmsd < 0.253) and (attr rmsd > 0.153)) and bondedto(attr rmsd < 67.857 and attr rmsd > 66.857)) ( attr rmsd < 3.891 and attr rmsd > 3.791) 6 6 0 peak 12650 ppm1 0.203 ppm2 3.841 volume 0.3856 assi ((( attr rmsd < 0.253) and (attr rmsd > 0.153)) and bondedto(attr rmsd < 20.337 and attr rmsd > 19.337)) ( attr rmsd < 3.891 and attr rmsd > 3.791) 6 6 0 peak 22650 ppm1 0.203 ppm2 3.841 volume 0.3856 assi ((( attr rmsd < 0.258) and (attr rmsd > 0.158)) and bondedto(attr rmsd < 67.840 and attr rmsd > 66.840)) ( attr rmsd < 3.587 and attr rmsd > 3.487) 6 6 0 peak 12651 ppm1 0.208 ppm2 3.537 volume 0.5471 assi ((( attr rmsd < 0.258) and (attr rmsd > 0.158)) and bondedto(attr rmsd < 20.320 and attr rmsd > 19.320)) ( attr rmsd < 3.587 and attr rmsd > 3.487) 6 6 0 peak 22651 ppm1 0.208 ppm2 3.537 volume 0.5471 assi ((( attr rmsd < 0.257) and (attr rmsd > 0.157)) and bondedto(attr rmsd < 67.840 and attr rmsd > 66.840)) ( attr rmsd < 1.831 and attr rmsd > 1.731) 6 6 0 peak 12652 ppm1 0.207 ppm2 1.781 volume 1.2668 assi ((( attr rmsd < 0.257) and (attr rmsd > 0.157)) and bondedto(attr rmsd < 20.320 and attr rmsd > 19.320)) ( attr rmsd < 1.831 and attr rmsd > 1.731) 6 6 0 peak 22652 ppm1 0.207 ppm2 1.781 volume 1.2668 assi ((( attr rmsd < 0.253) and (attr rmsd > 0.153)) and bondedto(attr rmsd < 67.840 and attr rmsd > 66.840)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 12653 ppm1 0.203 ppm2 0.858 volume 0.7718 assi ((( attr rmsd < 0.253) and (attr rmsd > 0.153)) and bondedto(attr rmsd < 20.320 and attr rmsd > 19.320)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 22653 ppm1 0.203 ppm2 0.858 volume 0.7718 assi ((( attr rmsd < 0.254) and (attr rmsd > 0.154)) and bondedto(attr rmsd < 67.840 and attr rmsd > 66.840)) ( attr rmsd < 0.790 and attr rmsd > 0.690) 6 6 0 peak 12654 ppm1 0.204 ppm2 0.740 volume 1.9172 assi ((( attr rmsd < 0.254) and (attr rmsd > 0.154)) and bondedto(attr rmsd < 20.320 and attr rmsd > 19.320)) ( attr rmsd < 0.790 and attr rmsd > 0.690) 6 6 0 peak 22654 ppm1 0.204 ppm2 0.740 volume 1.9172 assi ((( attr rmsd < 0.257) and (attr rmsd > 0.157)) and bondedto(attr rmsd < 67.841 and attr rmsd > 66.841)) ( attr rmsd < 0.264 and attr rmsd > 0.164) 6 6 0 peak 12655 ppm1 0.207 ppm2 0.214 volume 19.1836 assi ((( attr rmsd < 0.257) and (attr rmsd > 0.157)) and bondedto(attr rmsd < 20.321 and attr rmsd > 19.321)) ( attr rmsd < 0.264 and attr rmsd > 0.164) 6 6 0 peak 22655 ppm1 0.207 ppm2 0.214 volume 19.1836 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 44.018 and attr rmsd > 43.018)) ( attr rmsd < 1.020 and attr rmsd > 0.920) 6 6 0 peak 2656 ppm1 4.850 ppm2 0.970 volume 0.1564 assi ((( attr rmsd < 4.628) and (attr rmsd > 4.528)) and bondedto(attr rmsd < 43.991 and attr rmsd > 42.991)) ( attr rmsd < 4.629 and attr rmsd > 4.529) 6 6 0 peak 2657 ppm1 4.578 ppm2 4.579 volume 0.3760 assi ((( attr rmsd < 3.342) and (attr rmsd > 3.242)) and bondedto(attr rmsd < 44.004 and attr rmsd > 43.004)) ( attr rmsd < 4.544 and attr rmsd > 4.444) 6 6 0 peak 2658 ppm1 3.292 ppm2 4.494 volume 0.1737 assi ((( attr rmsd < 3.296) and (attr rmsd > 3.196)) and bondedto(attr rmsd < 44.011 and attr rmsd > 43.011)) ( attr rmsd < 5.129 and attr rmsd > 5.029) 6 6 0 peak 2659 ppm1 3.246 ppm2 5.079 volume 0.2081 assi ((( attr rmsd < 3.299) and (attr rmsd > 3.199)) and bondedto(attr rmsd < 44.071 and attr rmsd > 43.071)) ( attr rmsd < 2.826 and attr rmsd > 2.726) 6 6 0 peak 2660 ppm1 3.249 ppm2 2.776 volume 0.5020 assi ((( attr rmsd < 3.296) and (attr rmsd > 3.196)) and bondedto(attr rmsd < 44.134 and attr rmsd > 43.134)) ( attr rmsd < 1.504 and attr rmsd > 1.404) 6 6 0 peak 2661 ppm1 3.246 ppm2 1.454 volume 0.1866 assi ((( attr rmsd < 3.029) and (attr rmsd > 2.929)) and bondedto(attr rmsd < 44.072 and attr rmsd > 43.072)) ( attr rmsd < 2.778 and attr rmsd > 2.678) 6 6 0 peak 2662 ppm1 2.979 ppm2 2.728 volume 0.1490 assi ((( attr rmsd < 2.818) and (attr rmsd > 2.718)) and bondedto(attr rmsd < 44.002 and attr rmsd > 43.002)) ( attr rmsd < 5.123 and attr rmsd > 5.023) 6 6 0 peak 2663 ppm1 2.768 ppm2 5.073 volume 0.1807 assi ((( attr rmsd < 2.819) and (attr rmsd > 2.719)) and bondedto(attr rmsd < 43.986 and attr rmsd > 42.986)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 2664 ppm1 2.769 ppm2 4.771 volume 0.7577 assi ((( attr rmsd < 2.822) and (attr rmsd > 2.722)) and bondedto(attr rmsd < 44.011 and attr rmsd > 43.011)) ( attr rmsd < 3.294 and attr rmsd > 3.194) 6 6 0 peak 2665 ppm1 2.772 ppm2 3.244 volume 0.6063 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 44.029 and attr rmsd > 43.029)) ( attr rmsd < 3.347 and attr rmsd > 3.247) 6 6 0 peak 2666 ppm1 1.716 ppm2 3.297 volume 0.1679 assi ((( attr rmsd < 1.173) and (attr rmsd > 1.073)) and bondedto(attr rmsd < 44.054 and attr rmsd > 43.054)) ( attr rmsd < 1.183 and attr rmsd > 1.083) 6 6 0 peak 2667 ppm1 1.123 ppm2 1.133 volume 0.3419 assi ((( attr rmsd < 1.015) and (attr rmsd > 0.915)) and bondedto(attr rmsd < 44.031 and attr rmsd > 43.031)) ( attr rmsd < 1.017 and attr rmsd > 0.917) 6 6 0 peak 2668 ppm1 0.965 ppm2 0.967 volume 13.6011 assi ((( attr rmsd < 0.254) and (attr rmsd > 0.154)) and bondedto(attr rmsd < 44.085 and attr rmsd > 43.085)) ( attr rmsd < 0.614 and attr rmsd > 0.514) 6 6 0 peak 2669 ppm1 0.204 ppm2 0.564 volume 0.2193 assi ((( attr rmsd < 0.258) and (attr rmsd > 0.158)) and bondedto(attr rmsd < 44.086 and attr rmsd > 43.086)) ( attr rmsd < 0.369 and attr rmsd > 0.269) 6 6 0 peak 2670 ppm1 0.208 ppm2 0.319 volume 0.3732 assi ((( attr rmsd < 0.249) and (attr rmsd > 0.149)) and bondedto(attr rmsd < 44.080 and attr rmsd > 43.080)) ( attr rmsd < 0.556 and attr rmsd > 0.456) 6 6 0 peak 2671 ppm1 0.199 ppm2 0.506 volume 0.1970 assi ((( attr rmsd < 3.634) and (attr rmsd > 3.534)) and bondedto(attr rmsd < 67.625 and attr rmsd > 66.625)) ( attr rmsd < 3.639 and attr rmsd > 3.539) 6 6 0 peak 12672 ppm1 3.584 ppm2 3.589 volume 0.3670 assi ((( attr rmsd < 3.634) and (attr rmsd > 3.534)) and bondedto(attr rmsd < 20.105 and attr rmsd > 19.105)) ( attr rmsd < 3.639 and attr rmsd > 3.539) 6 6 0 peak 22672 ppm1 3.584 ppm2 3.589 volume 0.3670 assi ((( attr rmsd < 3.341) and (attr rmsd > 3.241)) and bondedto(attr rmsd < 67.714 and attr rmsd > 66.714)) ( attr rmsd < 2.277 and attr rmsd > 2.177) 6 6 0 peak 12673 ppm1 3.291 ppm2 2.227 volume 0.1796 assi ((( attr rmsd < 3.341) and (attr rmsd > 3.241)) and bondedto(attr rmsd < 20.194 and attr rmsd > 19.194)) ( attr rmsd < 2.277 and attr rmsd > 2.177) 6 6 0 peak 22673 ppm1 3.291 ppm2 2.227 volume 0.1796 assi ((( attr rmsd < 3.346) and (attr rmsd > 3.246)) and bondedto(attr rmsd < 67.633 and attr rmsd > 66.633)) ( attr rmsd < 1.514 and attr rmsd > 1.414) 6 6 0 peak 12674 ppm1 3.296 ppm2 1.464 volume 0.2005 assi ((( attr rmsd < 3.346) and (attr rmsd > 3.246)) and bondedto(attr rmsd < 20.113 and attr rmsd > 19.113)) ( attr rmsd < 1.514 and attr rmsd > 1.414) 6 6 0 peak 22674 ppm1 3.296 ppm2 1.464 volume 0.2005 assi ((( attr rmsd < 3.335) and (attr rmsd > 3.235)) and bondedto(attr rmsd < 67.601 and attr rmsd > 66.601)) ( attr rmsd < 3.147 and attr rmsd > 3.047) 6 6 0 peak 12675 ppm1 3.285 ppm2 3.097 volume 0.9656 assi ((( attr rmsd < 3.335) and (attr rmsd > 3.235)) and bondedto(attr rmsd < 20.081 and attr rmsd > 19.081)) ( attr rmsd < 3.147 and attr rmsd > 3.047) 6 6 0 peak 22675 ppm1 3.285 ppm2 3.097 volume 0.9656 assi ((( attr rmsd < 3.336) and (attr rmsd > 3.236)) and bondedto(attr rmsd < 67.668 and attr rmsd > 66.668)) ( attr rmsd < 1.021 and attr rmsd > 0.921) 6 6 0 peak 12676 ppm1 3.286 ppm2 0.971 volume 0.3375 assi ((( attr rmsd < 3.336) and (attr rmsd > 3.236)) and bondedto(attr rmsd < 20.148 and attr rmsd > 19.148)) ( attr rmsd < 1.021 and attr rmsd > 0.921) 6 6 0 peak 22676 ppm1 3.286 ppm2 0.971 volume 0.3375 assi ((( attr rmsd < 3.339) and (attr rmsd > 3.239)) and bondedto(attr rmsd < 67.676 and attr rmsd > 66.676)) ( attr rmsd < 0.789 and attr rmsd > 0.689) 6 6 0 peak 12677 ppm1 3.289 ppm2 0.739 volume 0.2554 assi ((( attr rmsd < 3.339) and (attr rmsd > 3.239)) and bondedto(attr rmsd < 20.156 and attr rmsd > 19.156)) ( attr rmsd < 0.789 and attr rmsd > 0.689) 6 6 0 peak 22677 ppm1 3.289 ppm2 0.739 volume 0.2554 assi ((( attr rmsd < 3.189) and (attr rmsd > 3.089)) and bondedto(attr rmsd < 67.565 and attr rmsd > 66.565)) ( attr rmsd < 3.081 and attr rmsd > 2.981) 6 6 0 peak 12678 ppm1 3.139 ppm2 3.031 volume 1.0373 assi ((( attr rmsd < 3.189) and (attr rmsd > 3.089)) and bondedto(attr rmsd < 20.045 and attr rmsd > 19.045)) ( attr rmsd < 3.081 and attr rmsd > 2.981) 6 6 0 peak 22678 ppm1 3.139 ppm2 3.031 volume 1.0373 assi ((( attr rmsd < 3.187) and (attr rmsd > 3.087)) and bondedto(attr rmsd < 67.576 and attr rmsd > 66.576)) ( attr rmsd < 1.031 and attr rmsd > 0.931) 6 6 0 peak 12679 ppm1 3.137 ppm2 0.981 volume 0.1558 assi ((( attr rmsd < 3.187) and (attr rmsd > 3.087)) and bondedto(attr rmsd < 20.056 and attr rmsd > 19.056)) ( attr rmsd < 1.031 and attr rmsd > 0.931) 6 6 0 peak 22679 ppm1 3.137 ppm2 0.981 volume 0.1558 assi ((( attr rmsd < 3.191) and (attr rmsd > 3.091)) and bondedto(attr rmsd < 67.569 and attr rmsd > 66.569)) ( attr rmsd < 0.850 and attr rmsd > 0.750) 6 6 0 peak 12680 ppm1 3.141 ppm2 0.800 volume 0.1521 assi ((( attr rmsd < 3.191) and (attr rmsd > 3.091)) and bondedto(attr rmsd < 20.049 and attr rmsd > 19.049)) ( attr rmsd < 0.850 and attr rmsd > 0.750) 6 6 0 peak 22680 ppm1 3.141 ppm2 0.800 volume 0.1521 assi ((( attr rmsd < 3.192) and (attr rmsd > 3.092)) and bondedto(attr rmsd < 67.574 and attr rmsd > 66.574)) ( attr rmsd < 0.715 and attr rmsd > 0.615) 6 6 0 peak 12681 ppm1 3.142 ppm2 0.665 volume 0.1528 assi ((( attr rmsd < 3.192) and (attr rmsd > 3.092)) and bondedto(attr rmsd < 20.054 and attr rmsd > 19.054)) ( attr rmsd < 0.715 and attr rmsd > 0.615) 6 6 0 peak 22681 ppm1 3.142 ppm2 0.665 volume 0.1528 assi ((( attr rmsd < 3.183) and (attr rmsd > 3.083)) and bondedto(attr rmsd < 67.586 and attr rmsd > 66.586)) ( attr rmsd < 1.266 and attr rmsd > 1.166) 6 6 0 peak 12682 ppm1 3.133 ppm2 1.216 volume 0.1614 assi ((( attr rmsd < 3.183) and (attr rmsd > 3.083)) and bondedto(attr rmsd < 20.066 and attr rmsd > 19.066)) ( attr rmsd < 1.266 and attr rmsd > 1.166) 6 6 0 peak 22682 ppm1 3.133 ppm2 1.216 volume 0.1614 assi ((( attr rmsd < 3.135) and (attr rmsd > 3.035)) and bondedto(attr rmsd < 67.548 and attr rmsd > 66.548)) ( attr rmsd < 3.283 and attr rmsd > 3.183) 6 6 0 peak 12683 ppm1 3.085 ppm2 3.233 volume 0.2832 assi ((( attr rmsd < 3.135) and (attr rmsd > 3.035)) and bondedto(attr rmsd < 20.028 and attr rmsd > 19.028)) ( attr rmsd < 3.283 and attr rmsd > 3.183) 6 6 0 peak 22683 ppm1 3.085 ppm2 3.233 volume 0.2832 assi ((( attr rmsd < 2.145) and (attr rmsd > 2.045)) and bondedto(attr rmsd < 67.572 and attr rmsd > 66.572)) ( attr rmsd < 2.062 and attr rmsd > 1.962) 6 6 0 peak 12684 ppm1 2.095 ppm2 2.012 volume 0.1730 assi ((( attr rmsd < 2.145) and (attr rmsd > 2.045)) and bondedto(attr rmsd < 20.052 and attr rmsd > 19.052)) ( attr rmsd < 2.062 and attr rmsd > 1.962) 6 6 0 peak 22684 ppm1 2.095 ppm2 2.012 volume 0.1730 assi ((( attr rmsd < 1.936) and (attr rmsd > 1.836)) and bondedto(attr rmsd < 67.582 and attr rmsd > 66.582)) ( attr rmsd < 3.292 and attr rmsd > 3.192) 6 6 0 peak 12685 ppm1 1.886 ppm2 3.242 volume 0.1456 assi ((( attr rmsd < 1.936) and (attr rmsd > 1.836)) and bondedto(attr rmsd < 20.062 and attr rmsd > 19.062)) ( attr rmsd < 3.292 and attr rmsd > 3.192) 6 6 0 peak 22685 ppm1 1.886 ppm2 3.242 volume 0.1456 assi ((( attr rmsd < 1.699) and (attr rmsd > 1.599)) and bondedto(attr rmsd < 67.664 and attr rmsd > 66.664)) ( attr rmsd < 3.359 and attr rmsd > 3.259) 6 6 0 peak 12686 ppm1 1.649 ppm2 3.309 volume 0.1952 assi ((( attr rmsd < 1.699) and (attr rmsd > 1.599)) and bondedto(attr rmsd < 20.144 and attr rmsd > 19.144)) ( attr rmsd < 3.359 and attr rmsd > 3.259) 6 6 0 peak 22686 ppm1 1.649 ppm2 3.309 volume 0.1952 assi ((( attr rmsd < 1.298) and (attr rmsd > 1.198)) and bondedto(attr rmsd < 67.707 and attr rmsd > 66.707)) ( attr rmsd < 4.295 and attr rmsd > 4.195) 6 6 0 peak 12687 ppm1 1.248 ppm2 4.245 volume 0.2213 assi ((( attr rmsd < 1.298) and (attr rmsd > 1.198)) and bondedto(attr rmsd < 20.187 and attr rmsd > 19.187)) ( attr rmsd < 4.295 and attr rmsd > 4.195) 6 6 0 peak 22687 ppm1 1.248 ppm2 4.245 volume 0.2213 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 67.679 and attr rmsd > 66.679)) ( attr rmsd < 0.553 and attr rmsd > 0.453) 6 6 0 peak 12688 ppm1 0.930 ppm2 0.503 volume 0.1605 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 20.159 and attr rmsd > 19.159)) ( attr rmsd < 0.553 and attr rmsd > 0.453) 6 6 0 peak 22688 ppm1 0.930 ppm2 0.503 volume 0.1605 assi ((( attr rmsd < 4.803) and (attr rmsd > 4.703)) and bondedto(attr rmsd < 43.903 and attr rmsd > 42.903)) ( attr rmsd < 3.349 and attr rmsd > 3.249) 6 6 0 peak 2689 ppm1 4.753 ppm2 3.299 volume 0.2112 assi ((( attr rmsd < 3.346) and (attr rmsd > 3.246)) and bondedto(attr rmsd < 43.938 and attr rmsd > 42.938)) ( attr rmsd < 3.707 and attr rmsd > 3.607) 6 6 0 peak 2690 ppm1 3.296 ppm2 3.657 volume 0.2380 assi ((( attr rmsd < 3.341) and (attr rmsd > 3.241)) and bondedto(attr rmsd < 43.912 and attr rmsd > 42.912)) ( attr rmsd < 1.641 and attr rmsd > 1.541) 6 6 0 peak 2691 ppm1 3.291 ppm2 1.591 volume 0.9865 assi ((( attr rmsd < 3.325) and (attr rmsd > 3.225)) and bondedto(attr rmsd < 43.903 and attr rmsd > 42.903)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 2692 ppm1 3.275 ppm2 4.775 volume 1.0945 assi ((( attr rmsd < 3.334) and (attr rmsd > 3.234)) and bondedto(attr rmsd < 43.918 and attr rmsd > 42.918)) ( attr rmsd < 3.619 and attr rmsd > 3.519) 6 6 0 peak 2693 ppm1 3.284 ppm2 3.569 volume 0.1597 assi ((( attr rmsd < 3.336) and (attr rmsd > 3.236)) and bondedto(attr rmsd < 43.939 and attr rmsd > 42.939)) ( attr rmsd < 3.338 and attr rmsd > 3.238) 6 6 0 peak 2694 ppm1 3.286 ppm2 3.288 volume 28.4395 assi ((( attr rmsd < 3.336) and (attr rmsd > 3.236)) and bondedto(attr rmsd < 43.966 and attr rmsd > 42.966)) ( attr rmsd < 1.783 and attr rmsd > 1.683) 6 6 0 peak 2695 ppm1 3.286 ppm2 1.733 volume 1.5238 assi ((( attr rmsd < 3.184) and (attr rmsd > 3.084)) and bondedto(attr rmsd < 43.813 and attr rmsd > 42.813)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 2696 ppm1 3.134 ppm2 4.775 volume 1.0707 assi ((( attr rmsd < 3.186) and (attr rmsd > 3.086)) and bondedto(attr rmsd < 43.800 and attr rmsd > 42.800)) ( attr rmsd < 1.881 and attr rmsd > 1.781) 6 6 0 peak 2697 ppm1 3.136 ppm2 1.831 volume 0.3635 assi ((( attr rmsd < 3.186) and (attr rmsd > 3.086)) and bondedto(attr rmsd < 43.802 and attr rmsd > 42.802)) ( attr rmsd < 1.646 and attr rmsd > 1.546) 6 6 0 peak 2698 ppm1 3.136 ppm2 1.596 volume 0.8041 assi ((( attr rmsd < 3.185) and (attr rmsd > 3.085)) and bondedto(attr rmsd < 43.814 and attr rmsd > 42.814)) ( attr rmsd < 1.529 and attr rmsd > 1.429) 6 6 0 peak 2699 ppm1 3.135 ppm2 1.479 volume 0.4166 assi ((( attr rmsd < 3.182) and (attr rmsd > 3.082)) and bondedto(attr rmsd < 43.794 and attr rmsd > 42.794)) ( attr rmsd < 3.183 and attr rmsd > 3.083) 6 6 0 peak 2700 ppm1 3.132 ppm2 3.133 volume 13.8556 assi ((( attr rmsd < 3.056) and (attr rmsd > 2.956)) and bondedto(attr rmsd < 43.848 and attr rmsd > 42.848)) ( attr rmsd < 3.059 and attr rmsd > 2.959) 6 6 0 peak 2701 ppm1 3.006 ppm2 3.009 volume 0.8411 assi ((( attr rmsd < 2.808) and (attr rmsd > 2.708)) and bondedto(attr rmsd < 43.923 and attr rmsd > 42.923)) ( attr rmsd < 1.498 and attr rmsd > 1.398) 6 6 0 peak 2702 ppm1 2.758 ppm2 1.448 volume 0.4978 assi ((( attr rmsd < 2.808) and (attr rmsd > 2.708)) and bondedto(attr rmsd < 43.944 and attr rmsd > 42.944)) ( attr rmsd < 0.717 and attr rmsd > 0.617) 6 6 0 peak 2703 ppm1 2.758 ppm2 0.667 volume 0.2038 assi ((( attr rmsd < 2.804) and (attr rmsd > 2.704)) and bondedto(attr rmsd < 43.867 and attr rmsd > 42.867)) ( attr rmsd < 1.789 and attr rmsd > 1.689) 6 6 0 peak 2704 ppm1 2.754 ppm2 1.739 volume 0.2478 assi ((( attr rmsd < 2.805) and (attr rmsd > 2.705)) and bondedto(attr rmsd < 43.787 and attr rmsd > 42.787)) ( attr rmsd < 0.872 and attr rmsd > 0.772) 6 6 0 peak 2705 ppm1 2.755 ppm2 0.822 volume 0.2351 assi ((( attr rmsd < 2.163) and (attr rmsd > 2.063)) and bondedto(attr rmsd < 43.787 and attr rmsd > 42.787)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 2706 ppm1 2.113 ppm2 2.111 volume 0.7030 assi ((( attr rmsd < 1.649) and (attr rmsd > 1.549)) and bondedto(attr rmsd < 43.905 and attr rmsd > 42.905)) ( attr rmsd < 1.655 and attr rmsd > 1.555) 6 6 0 peak 2707 ppm1 1.599 ppm2 1.605 volume 0.3922 assi ((( attr rmsd < 1.638) and (attr rmsd > 1.538)) and bondedto(attr rmsd < 43.911 and attr rmsd > 42.911)) ( attr rmsd < 3.357 and attr rmsd > 3.257) 6 6 0 peak 2708 ppm1 1.588 ppm2 3.307 volume 0.1844 assi ((( attr rmsd < 1.237) and (attr rmsd > 1.137)) and bondedto(attr rmsd < 43.956 and attr rmsd > 42.956)) ( attr rmsd < 1.236 and attr rmsd > 1.136) 6 6 0 peak 2709 ppm1 1.187 ppm2 1.186 volume 0.5655 assi ((( attr rmsd < 1.022) and (attr rmsd > 0.922)) and bondedto(attr rmsd < 43.948 and attr rmsd > 42.948)) ( attr rmsd < 2.157 and attr rmsd > 2.057) 6 6 0 peak 2710 ppm1 0.972 ppm2 2.107 volume 0.2006 assi ((( attr rmsd < 1.017) and (attr rmsd > 0.917)) and bondedto(attr rmsd < 43.880 and attr rmsd > 42.880)) ( attr rmsd < 1.282 and attr rmsd > 1.182) 6 6 0 peak 2711 ppm1 0.967 ppm2 1.232 volume 0.2000 assi ((( attr rmsd < 0.503) and (attr rmsd > 0.403)) and bondedto(attr rmsd < 43.815 and attr rmsd > 42.815)) ( attr rmsd < 0.509 and attr rmsd > 0.409) 6 6 0 peak 2712 ppm1 0.453 ppm2 0.459 volume 0.2659 assi ((( attr rmsd < 4.952) and (attr rmsd > 4.852)) and bondedto(attr rmsd < 67.478 and attr rmsd > 66.478)) ( attr rmsd < 3.269 and attr rmsd > 3.169) 6 6 0 peak 12713 ppm1 4.902 ppm2 3.219 volume 0.6605 assi ((( attr rmsd < 4.952) and (attr rmsd > 4.852)) and bondedto(attr rmsd < 19.958 and attr rmsd > 18.958)) ( attr rmsd < 3.269 and attr rmsd > 3.169) 6 6 0 peak 22713 ppm1 4.902 ppm2 3.219 volume 0.6605 assi ((( attr rmsd < 4.922) and (attr rmsd > 4.822)) and bondedto(attr rmsd < 67.479 and attr rmsd > 66.479)) ( attr rmsd < 3.265 and attr rmsd > 3.165) 6 6 0 peak 12714 ppm1 4.872 ppm2 3.215 volume 0.6405 assi ((( attr rmsd < 4.922) and (attr rmsd > 4.822)) and bondedto(attr rmsd < 19.959 and attr rmsd > 18.959)) ( attr rmsd < 3.265 and attr rmsd > 3.165) 6 6 0 peak 22714 ppm1 4.872 ppm2 3.215 volume 0.6405 assi ((( attr rmsd < 4.787) and (attr rmsd > 4.687)) and bondedto(attr rmsd < 67.537 and attr rmsd > 66.537)) ( attr rmsd < 3.262 and attr rmsd > 3.162) 6 6 0 peak 12715 ppm1 4.737 ppm2 3.212 volume 0.2027 assi ((( attr rmsd < 4.787) and (attr rmsd > 4.687)) and bondedto(attr rmsd < 20.017 and attr rmsd > 19.017)) ( attr rmsd < 3.262 and attr rmsd > 3.162) 6 6 0 peak 22715 ppm1 4.737 ppm2 3.212 volume 0.2027 assi ((( attr rmsd < 3.265) and (attr rmsd > 3.165)) and bondedto(attr rmsd < 67.498 and attr rmsd > 66.498)) ( attr rmsd < 3.164 and attr rmsd > 3.064) 6 6 0 peak 12716 ppm1 3.215 ppm2 3.114 volume 5.6795 assi ((( attr rmsd < 3.265) and (attr rmsd > 3.165)) and bondedto(attr rmsd < 19.978 and attr rmsd > 18.978)) ( attr rmsd < 3.164 and attr rmsd > 3.064) 6 6 0 peak 22716 ppm1 3.215 ppm2 3.114 volume 5.6795 assi ((( attr rmsd < 1.765) and (attr rmsd > 1.665)) and bondedto(attr rmsd < 67.513 and attr rmsd > 66.513)) ( attr rmsd < 3.259 and attr rmsd > 3.159) 6 6 0 peak 12717 ppm1 1.715 ppm2 3.209 volume 0.3170 assi ((( attr rmsd < 1.765) and (attr rmsd > 1.665)) and bondedto(attr rmsd < 19.993 and attr rmsd > 18.993)) ( attr rmsd < 3.259 and attr rmsd > 3.159) 6 6 0 peak 22717 ppm1 1.715 ppm2 3.209 volume 0.3170 assi ((( attr rmsd < 1.593) and (attr rmsd > 1.493)) and bondedto(attr rmsd < 67.478 and attr rmsd > 66.478)) ( attr rmsd < 3.265 and attr rmsd > 3.165) 6 6 0 peak 12718 ppm1 1.543 ppm2 3.215 volume 0.3221 assi ((( attr rmsd < 1.593) and (attr rmsd > 1.493)) and bondedto(attr rmsd < 19.958 and attr rmsd > 18.958)) ( attr rmsd < 3.265 and attr rmsd > 3.165) 6 6 0 peak 22718 ppm1 1.543 ppm2 3.215 volume 0.3221 assi ((( attr rmsd < 4.873) and (attr rmsd > 4.773)) and bondedto(attr rmsd < 43.747 and attr rmsd > 42.747)) ( attr rmsd < 3.275 and attr rmsd > 3.175) 6 6 0 peak 2719 ppm1 4.823 ppm2 3.225 volume 0.6717 assi ((( attr rmsd < 4.737) and (attr rmsd > 4.637)) and bondedto(attr rmsd < 43.656 and attr rmsd > 42.656)) ( attr rmsd < 4.833 and attr rmsd > 4.733) 6 6 0 peak 2720 ppm1 4.687 ppm2 4.783 volume 0.2142 assi ((( attr rmsd < 4.740) and (attr rmsd > 4.640)) and bondedto(attr rmsd < 43.770 and attr rmsd > 42.770)) ( attr rmsd < 3.279 and attr rmsd > 3.179) 6 6 0 peak 2721 ppm1 4.690 ppm2 3.229 volume 1.2865 assi ((( attr rmsd < 4.703) and (attr rmsd > 4.603)) and bondedto(attr rmsd < 43.747 and attr rmsd > 42.747)) ( attr rmsd < 3.276 and attr rmsd > 3.176) 6 6 0 peak 2722 ppm1 4.653 ppm2 3.226 volume 0.8383 assi ((( attr rmsd < 3.682) and (attr rmsd > 3.582)) and bondedto(attr rmsd < 43.765 and attr rmsd > 42.765)) ( attr rmsd < 3.261 and attr rmsd > 3.161) 6 6 0 peak 2723 ppm1 3.632 ppm2 3.211 volume 0.1622 assi ((( attr rmsd < 3.268) and (attr rmsd > 3.168)) and bondedto(attr rmsd < 43.756 and attr rmsd > 42.756)) ( attr rmsd < 3.607 and attr rmsd > 3.507) 6 6 0 peak 2724 ppm1 3.218 ppm2 3.557 volume 0.1554 assi ((( attr rmsd < 3.262) and (attr rmsd > 3.162)) and bondedto(attr rmsd < 43.739 and attr rmsd > 42.739)) ( attr rmsd < 1.684 and attr rmsd > 1.584) 6 6 0 peak 2725 ppm1 3.212 ppm2 1.634 volume 0.4134 assi ((( attr rmsd < 3.261) and (attr rmsd > 3.161)) and bondedto(attr rmsd < 43.729 and attr rmsd > 42.729)) ( attr rmsd < 3.261 and attr rmsd > 3.161) 6 6 0 peak 2726 ppm1 3.211 ppm2 3.211 volume 48.7185 assi ((( attr rmsd < 3.240) and (attr rmsd > 3.140)) and bondedto(attr rmsd < 43.626 and attr rmsd > 42.626)) ( attr rmsd < 1.813 and attr rmsd > 1.713) 6 6 0 peak 2727 ppm1 3.190 ppm2 1.763 volume 0.4283 assi ((( attr rmsd < 2.938) and (attr rmsd > 2.838)) and bondedto(attr rmsd < 43.680 and attr rmsd > 42.680)) ( attr rmsd < 4.767 and attr rmsd > 4.667) 6 6 0 peak 2728 ppm1 2.888 ppm2 4.717 volume 0.2353 assi ((( attr rmsd < 2.937) and (attr rmsd > 2.837)) and bondedto(attr rmsd < 43.737 and attr rmsd > 42.737)) ( attr rmsd < 2.942 and attr rmsd > 2.842) 6 6 0 peak 2729 ppm1 2.887 ppm2 2.892 volume 1.2194 assi ((( attr rmsd < 2.936) and (attr rmsd > 2.836)) and bondedto(attr rmsd < 43.670 and attr rmsd > 42.670)) ( attr rmsd < 2.788 and attr rmsd > 2.688) 6 6 0 peak 2730 ppm1 2.886 ppm2 2.738 volume 0.9880 assi ((( attr rmsd < 2.937) and (attr rmsd > 2.837)) and bondedto(attr rmsd < 43.708 and attr rmsd > 42.708)) ( attr rmsd < 1.764 and attr rmsd > 1.664) 6 6 0 peak 2731 ppm1 2.887 ppm2 1.714 volume 0.2049 assi ((( attr rmsd < 2.932) and (attr rmsd > 2.832)) and bondedto(attr rmsd < 43.613 and attr rmsd > 42.613)) ( attr rmsd < 1.478 and attr rmsd > 1.378) 6 6 0 peak 2732 ppm1 2.882 ppm2 1.428 volume 0.2061 assi ((( attr rmsd < 2.783) and (attr rmsd > 2.683)) and bondedto(attr rmsd < 43.664 and attr rmsd > 42.664)) ( attr rmsd < 2.940 and attr rmsd > 2.840) 6 6 0 peak 2733 ppm1 2.733 ppm2 2.890 volume 1.0329 assi ((( attr rmsd < 2.790) and (attr rmsd > 2.690)) and bondedto(attr rmsd < 43.640 and attr rmsd > 42.640)) ( attr rmsd < 2.792 and attr rmsd > 2.692) 6 6 0 peak 2734 ppm1 2.740 ppm2 2.742 volume 1.4389 assi ((( attr rmsd < 1.686) and (attr rmsd > 1.586)) and bondedto(attr rmsd < 43.752 and attr rmsd > 42.752)) ( attr rmsd < 3.264 and attr rmsd > 3.164) 6 6 0 peak 2735 ppm1 1.636 ppm2 3.214 volume 0.4937 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 43.766 and attr rmsd > 42.766)) ( attr rmsd < 1.578 and attr rmsd > 1.478) 6 6 0 peak 2736 ppm1 1.527 ppm2 1.528 volume 1.3717 assi ((( attr rmsd < 1.343) and (attr rmsd > 1.243)) and bondedto(attr rmsd < 43.665 and attr rmsd > 42.665)) ( attr rmsd < 1.345 and attr rmsd > 1.245) 6 6 0 peak 2737 ppm1 1.293 ppm2 1.295 volume 0.9457 assi ((( attr rmsd < 1.345) and (attr rmsd > 1.245)) and bondedto(attr rmsd < 43.702 and attr rmsd > 42.702)) ( attr rmsd < 0.768 and attr rmsd > 0.668) 6 6 0 peak 2738 ppm1 1.295 ppm2 0.718 volume 0.2440 assi ((( attr rmsd < 0.808) and (attr rmsd > 0.708)) and bondedto(attr rmsd < 43.761 and attr rmsd > 42.761)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 2739 ppm1 0.758 ppm2 0.763 volume 1.5451 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 67.262 and attr rmsd > 66.262)) ( attr rmsd < 3.088 and attr rmsd > 2.988) 6 6 0 peak 12740 ppm1 4.680 ppm2 3.038 volume 0.1852 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 19.742 and attr rmsd > 18.742)) ( attr rmsd < 3.088 and attr rmsd > 2.988) 6 6 0 peak 22740 ppm1 4.680 ppm2 3.038 volume 0.1852 assi ((( attr rmsd < 3.123) and (attr rmsd > 3.023)) and bondedto(attr rmsd < 67.180 and attr rmsd > 66.180)) ( attr rmsd < 3.129 and attr rmsd > 3.029) 6 6 0 peak 12741 ppm1 3.073 ppm2 3.079 volume 4.3617 assi ((( attr rmsd < 3.123) and (attr rmsd > 3.023)) and bondedto(attr rmsd < 19.660 and attr rmsd > 18.660)) ( attr rmsd < 3.129 and attr rmsd > 3.029) 6 6 0 peak 22741 ppm1 3.073 ppm2 3.079 volume 4.3617 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 67.206 and attr rmsd > 66.206)) ( attr rmsd < 3.067 and attr rmsd > 2.967) 6 6 0 peak 12742 ppm1 3.016 ppm2 3.017 volume 9.4493 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 19.686 and attr rmsd > 18.686)) ( attr rmsd < 3.067 and attr rmsd > 2.967) 6 6 0 peak 22742 ppm1 3.016 ppm2 3.017 volume 9.4493 assi ((( attr rmsd < 1.670) and (attr rmsd > 1.570)) and bondedto(attr rmsd < 67.341 and attr rmsd > 66.341)) ( attr rmsd < 1.557 and attr rmsd > 1.457) 6 6 0 peak 12743 ppm1 1.620 ppm2 1.507 volume 0.2345 assi ((( attr rmsd < 1.670) and (attr rmsd > 1.570)) and bondedto(attr rmsd < 19.821 and attr rmsd > 18.821)) ( attr rmsd < 1.557 and attr rmsd > 1.457) 6 6 0 peak 22743 ppm1 1.620 ppm2 1.507 volume 0.2345 assi ((( attr rmsd < 0.901) and (attr rmsd > 0.801)) and bondedto(attr rmsd < 67.273 and attr rmsd > 66.273)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 12744 ppm1 0.851 ppm2 0.763 volume 0.3495 assi ((( attr rmsd < 0.901) and (attr rmsd > 0.801)) and bondedto(attr rmsd < 19.753 and attr rmsd > 18.753)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 22744 ppm1 0.851 ppm2 0.763 volume 0.3495 assi ((( attr rmsd < 0.409) and (attr rmsd > 0.309)) and bondedto(attr rmsd < 67.260 and attr rmsd > 66.260)) ( attr rmsd < 0.309 and attr rmsd > 0.209) 6 6 0 peak 12745 ppm1 0.359 ppm2 0.259 volume 0.2009 assi ((( attr rmsd < 0.409) and (attr rmsd > 0.309)) and bondedto(attr rmsd < 19.740 and attr rmsd > 18.740)) ( attr rmsd < 0.309 and attr rmsd > 0.209) 6 6 0 peak 22745 ppm1 0.359 ppm2 0.259 volume 0.2009 assi ((( attr rmsd < 4.948) and (attr rmsd > 4.848)) and bondedto(attr rmsd < 43.473 and attr rmsd > 42.473)) ( attr rmsd < 3.073 and attr rmsd > 2.973) 6 6 0 peak 2746 ppm1 4.898 ppm2 3.023 volume 0.1820 assi ((( attr rmsd < 4.922) and (attr rmsd > 4.822)) and bondedto(attr rmsd < 43.460 and attr rmsd > 42.460)) ( attr rmsd < 3.077 and attr rmsd > 2.977) 6 6 0 peak 2747 ppm1 4.872 ppm2 3.027 volume 0.1491 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 43.457 and attr rmsd > 42.457)) ( attr rmsd < 3.647 and attr rmsd > 3.547) 6 6 0 peak 2748 ppm1 3.677 ppm2 3.597 volume 0.5918 assi ((( attr rmsd < 3.660) and (attr rmsd > 3.560)) and bondedto(attr rmsd < 43.478 and attr rmsd > 42.478)) ( attr rmsd < 3.651 and attr rmsd > 3.551) 6 6 0 peak 2749 ppm1 3.610 ppm2 3.601 volume 0.2195 assi ((( attr rmsd < 3.639) and (attr rmsd > 3.539)) and bondedto(attr rmsd < 43.475 and attr rmsd > 42.475)) ( attr rmsd < 3.727 and attr rmsd > 3.627) 6 6 0 peak 2750 ppm1 3.589 ppm2 3.677 volume 0.3724 assi ((( attr rmsd < 3.333) and (attr rmsd > 3.233)) and bondedto(attr rmsd < 43.519 and attr rmsd > 42.519)) ( attr rmsd < 2.017 and attr rmsd > 1.917) 6 6 0 peak 2751 ppm1 3.283 ppm2 1.967 volume 0.1986 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 43.423 and attr rmsd > 42.423)) ( attr rmsd < 2.968 and attr rmsd > 2.868) 6 6 0 peak 2752 ppm1 3.016 ppm2 2.918 volume 1.2821 assi ((( attr rmsd < 3.070) and (attr rmsd > 2.970)) and bondedto(attr rmsd < 43.511 and attr rmsd > 42.511)) ( attr rmsd < 0.066 and attr rmsd > -0.034) 6 6 0 peak 2753 ppm1 3.020 ppm2 0.016 volume 0.1480 assi ((( attr rmsd < 0.940) and (attr rmsd > 0.840)) and bondedto(attr rmsd < 43.529 and attr rmsd > 42.529)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 2754 ppm1 0.890 ppm2 0.891 volume 2.3486 assi ((( attr rmsd < 0.625) and (attr rmsd > 0.525)) and bondedto(attr rmsd < 43.516 and attr rmsd > 42.516)) ( attr rmsd < 0.629 and attr rmsd > 0.529) 6 6 0 peak 2755 ppm1 0.575 ppm2 0.579 volume 0.2000 assi ((( attr rmsd < 0.421) and (attr rmsd > 0.321)) and bondedto(attr rmsd < 43.512 and attr rmsd > 42.512)) ( attr rmsd < 0.832 and attr rmsd > 0.732) 6 6 0 peak 2756 ppm1 0.371 ppm2 0.782 volume 0.2469 assi ((( attr rmsd < 0.419) and (attr rmsd > 0.319)) and bondedto(attr rmsd < 43.511 and attr rmsd > 42.511)) ( attr rmsd < 0.423 and attr rmsd > 0.323) 6 6 0 peak 2757 ppm1 0.369 ppm2 0.373 volume 2.5039 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 67.021 and attr rmsd > 66.021)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 12758 ppm1 4.847 ppm2 3.866 volume 0.1933 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 19.501 and attr rmsd > 18.501)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 22758 ppm1 4.847 ppm2 3.866 volume 0.1933 assi ((( attr rmsd < 4.836) and (attr rmsd > 4.736)) and bondedto(attr rmsd < 67.056 and attr rmsd > 66.056)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 12759 ppm1 4.786 ppm2 4.774 volume 0.1523 assi ((( attr rmsd < 4.836) and (attr rmsd > 4.736)) and bondedto(attr rmsd < 19.536 and attr rmsd > 18.536)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 22759 ppm1 4.786 ppm2 4.774 volume 0.1523 assi ((( attr rmsd < 4.759) and (attr rmsd > 4.659)) and bondedto(attr rmsd < 67.032 and attr rmsd > 66.032)) ( attr rmsd < 3.921 and attr rmsd > 3.821) 6 6 0 peak 12760 ppm1 4.709 ppm2 3.871 volume 0.2325 assi ((( attr rmsd < 4.759) and (attr rmsd > 4.659)) and bondedto(attr rmsd < 19.512 and attr rmsd > 18.512)) ( attr rmsd < 3.921 and attr rmsd > 3.821) 6 6 0 peak 22760 ppm1 4.709 ppm2 3.871 volume 0.2325 assi ((( attr rmsd < 3.914) and (attr rmsd > 3.814)) and bondedto(attr rmsd < 67.031 and attr rmsd > 66.031)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 12761 ppm1 3.864 ppm2 3.867 volume 6.1701 assi ((( attr rmsd < 3.914) and (attr rmsd > 3.814)) and bondedto(attr rmsd < 19.511 and attr rmsd > 18.511)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 22761 ppm1 3.864 ppm2 3.867 volume 6.1701 assi ((( attr rmsd < 2.156) and (attr rmsd > 2.056)) and bondedto(attr rmsd < 67.120 and attr rmsd > 66.120)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 12762 ppm1 2.106 ppm2 2.108 volume 1.4458 assi ((( attr rmsd < 2.156) and (attr rmsd > 2.056)) and bondedto(attr rmsd < 19.600 and attr rmsd > 18.600)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 22762 ppm1 2.106 ppm2 2.108 volume 1.4458 assi ((( attr rmsd < 1.765) and (attr rmsd > 1.665)) and bondedto(attr rmsd < 67.152 and attr rmsd > 66.152)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 12763 ppm1 1.715 ppm2 3.016 volume 0.2397 assi ((( attr rmsd < 1.765) and (attr rmsd > 1.665)) and bondedto(attr rmsd < 19.632 and attr rmsd > 18.632)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 22763 ppm1 1.715 ppm2 3.016 volume 0.2397 assi ((( attr rmsd < 1.116) and (attr rmsd > 1.016)) and bondedto(attr rmsd < 67.050 and attr rmsd > 66.050)) ( attr rmsd < 1.008 and attr rmsd > 0.908) 6 6 0 peak 12764 ppm1 1.066 ppm2 0.958 volume 0.1583 assi ((( attr rmsd < 1.116) and (attr rmsd > 1.016)) and bondedto(attr rmsd < 19.530 and attr rmsd > 18.530)) ( attr rmsd < 1.008 and attr rmsd > 0.908) 6 6 0 peak 22764 ppm1 1.066 ppm2 0.958 volume 0.1583 assi ((( attr rmsd < 1.020) and (attr rmsd > 0.920)) and bondedto(attr rmsd < 67.049 and attr rmsd > 66.049)) ( attr rmsd < 0.930 and attr rmsd > 0.830) 6 6 0 peak 12765 ppm1 0.970 ppm2 0.880 volume 0.3282 assi ((( attr rmsd < 1.020) and (attr rmsd > 0.920)) and bondedto(attr rmsd < 19.529 and attr rmsd > 18.529)) ( attr rmsd < 0.930 and attr rmsd > 0.830) 6 6 0 peak 22765 ppm1 0.970 ppm2 0.880 volume 0.3282 assi ((( attr rmsd < 3.912) and (attr rmsd > 3.812)) and bondedto(attr rmsd < 43.266 and attr rmsd > 42.266)) ( attr rmsd < 4.013 and attr rmsd > 3.913) 6 6 0 peak 2766 ppm1 3.862 ppm2 3.963 volume 0.3493 assi ((( attr rmsd < 3.919) and (attr rmsd > 3.819)) and bondedto(attr rmsd < 43.270 and attr rmsd > 42.270)) ( attr rmsd < 3.825 and attr rmsd > 3.725) 6 6 0 peak 2767 ppm1 3.869 ppm2 3.775 volume 0.7095 assi ((( attr rmsd < 2.168) and (attr rmsd > 2.068)) and bondedto(attr rmsd < 43.369 and attr rmsd > 42.369)) ( attr rmsd < 2.072 and attr rmsd > 1.972) 6 6 0 peak 2768 ppm1 2.118 ppm2 2.022 volume 0.2111 assi ((( attr rmsd < 1.166) and (attr rmsd > 1.066)) and bondedto(attr rmsd < 43.247 and attr rmsd > 42.247)) ( attr rmsd < 1.176 and attr rmsd > 1.076) 6 6 0 peak 2769 ppm1 1.116 ppm2 1.126 volume 0.2247 assi ((( attr rmsd < 0.588) and (attr rmsd > 0.488)) and bondedto(attr rmsd < 43.328 and attr rmsd > 42.328)) ( attr rmsd < 0.597 and attr rmsd > 0.497) 6 6 0 peak 2770 ppm1 0.538 ppm2 0.547 volume 0.2244 assi ((( attr rmsd < 0.259) and (attr rmsd > 0.159)) and bondedto(attr rmsd < 43.223 and attr rmsd > 42.223)) ( attr rmsd < 0.788 and attr rmsd > 0.688) 6 6 0 peak 2771 ppm1 0.209 ppm2 0.738 volume 0.2232 assi ((( attr rmsd < 0.261) and (attr rmsd > 0.161)) and bondedto(attr rmsd < 43.225 and attr rmsd > 42.225)) ( attr rmsd < 0.264 and attr rmsd > 0.164) 6 6 0 peak 2772 ppm1 0.211 ppm2 0.214 volume 1.8550 assi ((( attr rmsd < 1.477) and (attr rmsd > 1.377)) and bondedto(attr rmsd < 66.858 and attr rmsd > 65.858)) ( attr rmsd < 4.819 and attr rmsd > 4.719) 6 6 0 peak 12773 ppm1 1.427 ppm2 4.769 volume 0.3206 assi ((( attr rmsd < 1.477) and (attr rmsd > 1.377)) and bondedto(attr rmsd < 19.338 and attr rmsd > 18.338)) ( attr rmsd < 4.819 and attr rmsd > 4.719) 6 6 0 peak 22773 ppm1 1.427 ppm2 4.769 volume 0.3206 assi ((( attr rmsd < 1.475) and (attr rmsd > 1.375)) and bondedto(attr rmsd < 66.795 and attr rmsd > 65.795)) ( attr rmsd < 1.485 and attr rmsd > 1.385) 6 6 0 peak 12774 ppm1 1.425 ppm2 1.435 volume 20.1737 assi ((( attr rmsd < 1.475) and (attr rmsd > 1.375)) and bondedto(attr rmsd < 19.275 and attr rmsd > 18.275)) ( attr rmsd < 1.485 and attr rmsd > 1.385) 6 6 0 peak 22774 ppm1 1.425 ppm2 1.435 volume 20.1737 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 66.799 and attr rmsd > 65.799)) ( attr rmsd < 2.785 and attr rmsd > 2.685) 6 6 0 peak 12775 ppm1 1.419 ppm2 2.735 volume 0.3960 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 19.279 and attr rmsd > 18.279)) ( attr rmsd < 2.785 and attr rmsd > 2.685) 6 6 0 peak 22775 ppm1 1.419 ppm2 2.735 volume 0.3960 assi ((( attr rmsd < 0.247) and (attr rmsd > 0.147)) and bondedto(attr rmsd < 66.963 and attr rmsd > 65.963)) ( attr rmsd < 0.145 and attr rmsd > 0.045) 6 6 0 peak 12776 ppm1 0.197 ppm2 0.095 volume 0.1875 assi ((( attr rmsd < 0.247) and (attr rmsd > 0.147)) and bondedto(attr rmsd < 19.443 and attr rmsd > 18.443)) ( attr rmsd < 0.145 and attr rmsd > 0.045) 6 6 0 peak 22776 ppm1 0.197 ppm2 0.095 volume 0.1875 assi ((( attr rmsd < 4.746) and (attr rmsd > 4.646)) and bondedto(attr rmsd < 43.043 and attr rmsd > 42.043)) ( attr rmsd < 1.557 and attr rmsd > 1.457) 6 6 0 peak 2777 ppm1 4.696 ppm2 1.507 volume 0.2335 assi ((( attr rmsd < 4.566) and (attr rmsd > 4.466)) and bondedto(attr rmsd < 43.046 and attr rmsd > 42.046)) ( attr rmsd < 1.483 and attr rmsd > 1.383) 6 6 0 peak 2778 ppm1 4.516 ppm2 1.433 volume 0.1555 assi ((( attr rmsd < 3.072) and (attr rmsd > 2.972)) and bondedto(attr rmsd < 43.168 and attr rmsd > 42.168)) ( attr rmsd < 0.869 and attr rmsd > 0.769) 6 6 0 peak 2779 ppm1 3.022 ppm2 0.819 volume 0.4042 assi ((( attr rmsd < 2.628) and (attr rmsd > 2.528)) and bondedto(attr rmsd < 43.042 and attr rmsd > 42.042)) ( attr rmsd < 5.849 and attr rmsd > 5.749) 6 6 0 peak 2780 ppm1 2.578 ppm2 5.799 volume 0.1990 assi ((( attr rmsd < 1.575) and (attr rmsd > 1.475)) and bondedto(attr rmsd < 43.057 and attr rmsd > 42.057)) ( attr rmsd < 0.521 and attr rmsd > 0.421) 6 6 0 peak 2781 ppm1 1.525 ppm2 0.471 volume 0.1719 assi ((( attr rmsd < 1.462) and (attr rmsd > 1.362)) and bondedto(attr rmsd < 43.160 and attr rmsd > 42.160)) ( attr rmsd < 1.364 and attr rmsd > 1.264) 6 6 0 peak 2782 ppm1 1.412 ppm2 1.314 volume 0.8341 assi ((( attr rmsd < 1.470) and (attr rmsd > 1.370)) and bondedto(attr rmsd < 43.060 and attr rmsd > 42.060)) ( attr rmsd < 1.176 and attr rmsd > 1.076) 6 6 0 peak 2783 ppm1 1.420 ppm2 1.126 volume 0.4698 assi ((( attr rmsd < 1.468) and (attr rmsd > 1.368)) and bondedto(attr rmsd < 43.040 and attr rmsd > 42.040)) ( attr rmsd < 0.634 and attr rmsd > 0.534) 6 6 0 peak 2784 ppm1 1.418 ppm2 0.584 volume 0.3333 assi ((( attr rmsd < 1.292) and (attr rmsd > 1.192)) and bondedto(attr rmsd < 43.042 and attr rmsd > 42.042)) ( attr rmsd < 1.300 and attr rmsd > 1.200) 6 6 0 peak 2785 ppm1 1.242 ppm2 1.250 volume 0.4487 assi ((( attr rmsd < 1.244) and (attr rmsd > 1.144)) and bondedto(attr rmsd < 43.076 and attr rmsd > 42.076)) ( attr rmsd < 1.253 and attr rmsd > 1.153) 6 6 0 peak 2786 ppm1 1.194 ppm2 1.203 volume 0.3070 assi ((( attr rmsd < 0.934) and (attr rmsd > 0.834)) and bondedto(attr rmsd < 43.189 and attr rmsd > 42.189)) ( attr rmsd < 1.202 and attr rmsd > 1.102) 6 6 0 peak 2787 ppm1 0.884 ppm2 1.152 volume 0.1460 assi ((( attr rmsd < 4.773) and (attr rmsd > 4.673)) and bondedto(attr rmsd < 66.667 and attr rmsd > 65.667)) ( attr rmsd < 4.820 and attr rmsd > 4.720) 6 6 0 peak 12788 ppm1 4.723 ppm2 4.770 volume 0.1956 assi ((( attr rmsd < 4.773) and (attr rmsd > 4.673)) and bondedto(attr rmsd < 19.147 and attr rmsd > 18.147)) ( attr rmsd < 4.820 and attr rmsd > 4.720) 6 6 0 peak 22788 ppm1 4.723 ppm2 4.770 volume 0.1956 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 66.634 and attr rmsd > 65.634)) ( attr rmsd < 1.580 and attr rmsd > 1.480) 6 6 0 peak 12789 ppm1 4.142 ppm2 1.530 volume 0.3832 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 19.114 and attr rmsd > 18.114)) ( attr rmsd < 1.580 and attr rmsd > 1.480) 6 6 0 peak 22789 ppm1 4.142 ppm2 1.530 volume 0.3832 assi ((( attr rmsd < 3.711) and (attr rmsd > 3.611)) and bondedto(attr rmsd < 66.774 and attr rmsd > 65.774)) ( attr rmsd < 3.717 and attr rmsd > 3.617) 6 6 0 peak 12790 ppm1 3.661 ppm2 3.667 volume 0.2643 assi ((( attr rmsd < 3.711) and (attr rmsd > 3.611)) and bondedto(attr rmsd < 19.254 and attr rmsd > 18.254)) ( attr rmsd < 3.717 and attr rmsd > 3.617) 6 6 0 peak 22790 ppm1 3.661 ppm2 3.667 volume 0.2643 assi ((( attr rmsd < 3.347) and (attr rmsd > 3.247)) and bondedto(attr rmsd < 66.622 and attr rmsd > 65.622)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 12791 ppm1 3.297 ppm2 4.777 volume 0.1599 assi ((( attr rmsd < 3.347) and (attr rmsd > 3.247)) and bondedto(attr rmsd < 19.102 and attr rmsd > 18.102)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 22791 ppm1 3.297 ppm2 4.777 volume 0.1599 assi ((( attr rmsd < 3.336) and (attr rmsd > 3.236)) and bondedto(attr rmsd < 66.781 and attr rmsd > 65.781)) ( attr rmsd < 3.336 and attr rmsd > 3.236) 6 6 0 peak 12792 ppm1 3.286 ppm2 3.286 volume 1.6685 assi ((( attr rmsd < 3.336) and (attr rmsd > 3.236)) and bondedto(attr rmsd < 19.261 and attr rmsd > 18.261)) ( attr rmsd < 3.336 and attr rmsd > 3.236) 6 6 0 peak 22792 ppm1 3.286 ppm2 3.286 volume 1.6685 assi ((( attr rmsd < 3.266) and (attr rmsd > 3.166)) and bondedto(attr rmsd < 66.642 and attr rmsd > 65.642)) ( attr rmsd < 3.270 and attr rmsd > 3.170) 6 6 0 peak 12793 ppm1 3.216 ppm2 3.220 volume 5.4361 assi ((( attr rmsd < 3.266) and (attr rmsd > 3.166)) and bondedto(attr rmsd < 19.122 and attr rmsd > 18.122)) ( attr rmsd < 3.270 and attr rmsd > 3.170) 6 6 0 peak 22793 ppm1 3.216 ppm2 3.220 volume 5.4361 assi ((( attr rmsd < 3.188) and (attr rmsd > 3.088)) and bondedto(attr rmsd < 66.682 and attr rmsd > 65.682)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 12794 ppm1 3.138 ppm2 4.775 volume 0.2137 assi ((( attr rmsd < 3.188) and (attr rmsd > 3.088)) and bondedto(attr rmsd < 19.162 and attr rmsd > 18.162)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 22794 ppm1 3.138 ppm2 4.775 volume 0.2137 assi ((( attr rmsd < 3.198) and (attr rmsd > 3.098)) and bondedto(attr rmsd < 66.744 and attr rmsd > 65.744)) ( attr rmsd < 3.186 and attr rmsd > 3.086) 6 6 0 peak 12795 ppm1 3.148 ppm2 3.136 volume 0.6859 assi ((( attr rmsd < 3.198) and (attr rmsd > 3.098)) and bondedto(attr rmsd < 19.224 and attr rmsd > 18.224)) ( attr rmsd < 3.186 and attr rmsd > 3.086) 6 6 0 peak 22795 ppm1 3.148 ppm2 3.136 volume 0.6859 assi ((( attr rmsd < 2.149) and (attr rmsd > 2.049)) and bondedto(attr rmsd < 66.688 and attr rmsd > 65.688)) ( attr rmsd < 2.250 and attr rmsd > 2.150) 6 6 0 peak 12796 ppm1 2.099 ppm2 2.200 volume 0.2229 assi ((( attr rmsd < 2.149) and (attr rmsd > 2.049)) and bondedto(attr rmsd < 19.168 and attr rmsd > 18.168)) ( attr rmsd < 2.250 and attr rmsd > 2.150) 6 6 0 peak 22796 ppm1 2.099 ppm2 2.200 volume 0.2229 assi ((( attr rmsd < 2.154) and (attr rmsd > 2.054)) and bondedto(attr rmsd < 66.690 and attr rmsd > 65.690)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 12797 ppm1 2.104 ppm2 2.018 volume 0.4286 assi ((( attr rmsd < 2.154) and (attr rmsd > 2.054)) and bondedto(attr rmsd < 19.170 and attr rmsd > 18.170)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 22797 ppm1 2.104 ppm2 2.018 volume 0.4286 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 66.657 and attr rmsd > 65.657)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 12798 ppm1 1.527 ppm2 4.147 volume 2.3091 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 19.137 and attr rmsd > 18.137)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 22798 ppm1 1.527 ppm2 4.147 volume 2.3091 assi ((( attr rmsd < 1.580) and (attr rmsd > 1.480)) and bondedto(attr rmsd < 66.664 and attr rmsd > 65.664)) ( attr rmsd < 3.632 and attr rmsd > 3.532) 6 6 0 peak 12799 ppm1 1.530 ppm2 3.582 volume 0.5454 assi ((( attr rmsd < 1.580) and (attr rmsd > 1.480)) and bondedto(attr rmsd < 19.144 and attr rmsd > 18.144)) ( attr rmsd < 3.632 and attr rmsd > 3.532) 6 6 0 peak 22799 ppm1 1.530 ppm2 3.582 volume 0.5454 assi ((( attr rmsd < 1.479) and (attr rmsd > 1.379)) and bondedto(attr rmsd < 66.781 and attr rmsd > 65.781)) ( attr rmsd < 4.239 and attr rmsd > 4.139) 6 6 0 peak 12800 ppm1 1.429 ppm2 4.189 volume 0.5031 assi ((( attr rmsd < 1.479) and (attr rmsd > 1.379)) and bondedto(attr rmsd < 19.261 and attr rmsd > 18.261)) ( attr rmsd < 4.239 and attr rmsd > 4.139) 6 6 0 peak 22800 ppm1 1.429 ppm2 4.189 volume 0.5031 assi ((( attr rmsd < 1.476) and (attr rmsd > 1.376)) and bondedto(attr rmsd < 66.676 and attr rmsd > 65.676)) ( attr rmsd < 1.783 and attr rmsd > 1.683) 6 6 0 peak 12801 ppm1 1.426 ppm2 1.733 volume 0.4412 assi ((( attr rmsd < 1.476) and (attr rmsd > 1.376)) and bondedto(attr rmsd < 19.156 and attr rmsd > 18.156)) ( attr rmsd < 1.783 and attr rmsd > 1.683) 6 6 0 peak 22801 ppm1 1.426 ppm2 1.733 volume 0.4412 assi ((( attr rmsd < 1.470) and (attr rmsd > 1.370)) and bondedto(attr rmsd < 66.766 and attr rmsd > 65.766)) ( attr rmsd < 3.834 and attr rmsd > 3.734) 6 6 0 peak 12802 ppm1 1.420 ppm2 3.784 volume 1.2927 assi ((( attr rmsd < 1.470) and (attr rmsd > 1.370)) and bondedto(attr rmsd < 19.246 and attr rmsd > 18.246)) ( attr rmsd < 3.834 and attr rmsd > 3.734) 6 6 0 peak 22802 ppm1 1.420 ppm2 3.784 volume 1.2927 assi ((( attr rmsd < 1.471) and (attr rmsd > 1.371)) and bondedto(attr rmsd < 66.775 and attr rmsd > 65.775)) ( attr rmsd < 3.564 and attr rmsd > 3.464) 6 6 0 peak 12803 ppm1 1.421 ppm2 3.514 volume 0.5908 assi ((( attr rmsd < 1.471) and (attr rmsd > 1.371)) and bondedto(attr rmsd < 19.255 and attr rmsd > 18.255)) ( attr rmsd < 3.564 and attr rmsd > 3.464) 6 6 0 peak 22803 ppm1 1.421 ppm2 3.514 volume 0.5908 assi ((( attr rmsd < 1.470) and (attr rmsd > 1.370)) and bondedto(attr rmsd < 66.747 and attr rmsd > 65.747)) ( attr rmsd < 2.945 and attr rmsd > 2.845) 6 6 0 peak 12804 ppm1 1.420 ppm2 2.895 volume 0.2505 assi ((( attr rmsd < 1.470) and (attr rmsd > 1.370)) and bondedto(attr rmsd < 19.227 and attr rmsd > 18.227)) ( attr rmsd < 2.945 and attr rmsd > 2.845) 6 6 0 peak 22804 ppm1 1.420 ppm2 2.895 volume 0.2505 assi ((( attr rmsd < 1.461) and (attr rmsd > 1.361)) and bondedto(attr rmsd < 66.743 and attr rmsd > 65.743)) ( attr rmsd < 1.326 and attr rmsd > 1.226) 6 6 0 peak 12805 ppm1 1.411 ppm2 1.276 volume 0.3033 assi ((( attr rmsd < 1.461) and (attr rmsd > 1.361)) and bondedto(attr rmsd < 19.223 and attr rmsd > 18.223)) ( attr rmsd < 1.326 and attr rmsd > 1.226) 6 6 0 peak 22805 ppm1 1.411 ppm2 1.276 volume 0.3033 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 66.766 and attr rmsd > 65.766)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 12806 ppm1 1.419 ppm2 0.693 volume 0.6135 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 19.246 and attr rmsd > 18.246)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 22806 ppm1 1.419 ppm2 0.693 volume 0.6135 assi ((( attr rmsd < 1.461) and (attr rmsd > 1.361)) and bondedto(attr rmsd < 66.768 and attr rmsd > 65.768)) ( attr rmsd < 0.559 and attr rmsd > 0.459) 6 6 0 peak 12807 ppm1 1.411 ppm2 0.509 volume 0.1576 assi ((( attr rmsd < 1.461) and (attr rmsd > 1.361)) and bondedto(attr rmsd < 19.248 and attr rmsd > 18.248)) ( attr rmsd < 0.559 and attr rmsd > 0.459) 6 6 0 peak 22807 ppm1 1.411 ppm2 0.509 volume 0.1576 assi ((( attr rmsd < 1.018) and (attr rmsd > 0.918)) and bondedto(attr rmsd < 66.702 and attr rmsd > 65.702)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 12808 ppm1 0.968 ppm2 4.776 volume 0.1469 assi ((( attr rmsd < 1.018) and (attr rmsd > 0.918)) and bondedto(attr rmsd < 19.182 and attr rmsd > 18.182)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 22808 ppm1 0.968 ppm2 4.776 volume 0.1469 assi ((( attr rmsd < 0.802) and (attr rmsd > 0.702)) and bondedto(attr rmsd < 66.630 and attr rmsd > 65.630)) ( attr rmsd < 4.987 and attr rmsd > 4.887) 6 6 0 peak 12809 ppm1 0.752 ppm2 4.937 volume 0.1578 assi ((( attr rmsd < 0.802) and (attr rmsd > 0.702)) and bondedto(attr rmsd < 19.110 and attr rmsd > 18.110)) ( attr rmsd < 4.987 and attr rmsd > 4.887) 6 6 0 peak 22809 ppm1 0.752 ppm2 4.937 volume 0.1578 assi ((( attr rmsd < 0.802) and (attr rmsd > 0.702)) and bondedto(attr rmsd < 66.626 and attr rmsd > 65.626)) ( attr rmsd < 4.733 and attr rmsd > 4.633) 6 6 0 peak 12810 ppm1 0.752 ppm2 4.683 volume 0.2776 assi ((( attr rmsd < 0.802) and (attr rmsd > 0.702)) and bondedto(attr rmsd < 19.106 and attr rmsd > 18.106)) ( attr rmsd < 4.733 and attr rmsd > 4.633) 6 6 0 peak 22810 ppm1 0.752 ppm2 4.683 volume 0.2776 assi ((( attr rmsd < 0.800) and (attr rmsd > 0.700)) and bondedto(attr rmsd < 66.636 and attr rmsd > 65.636)) ( attr rmsd < 2.208 and attr rmsd > 2.108) 6 6 0 peak 12811 ppm1 0.750 ppm2 2.158 volume 0.2750 assi ((( attr rmsd < 0.800) and (attr rmsd > 0.700)) and bondedto(attr rmsd < 19.116 and attr rmsd > 18.116)) ( attr rmsd < 2.208 and attr rmsd > 2.108) 6 6 0 peak 22811 ppm1 0.750 ppm2 2.158 volume 0.2750 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 66.630 and attr rmsd > 65.630)) ( attr rmsd < 2.026 and attr rmsd > 1.926) 6 6 0 peak 12812 ppm1 0.754 ppm2 1.976 volume 0.4456 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 19.110 and attr rmsd > 18.110)) ( attr rmsd < 2.026 and attr rmsd > 1.926) 6 6 0 peak 22812 ppm1 0.754 ppm2 1.976 volume 0.4456 assi ((( attr rmsd < 0.803) and (attr rmsd > 0.703)) and bondedto(attr rmsd < 66.642 and attr rmsd > 65.642)) ( attr rmsd < 1.863 and attr rmsd > 1.763) 6 6 0 peak 12813 ppm1 0.753 ppm2 1.813 volume 0.7430 assi ((( attr rmsd < 0.803) and (attr rmsd > 0.703)) and bondedto(attr rmsd < 19.122 and attr rmsd > 18.122)) ( attr rmsd < 1.863 and attr rmsd > 1.763) 6 6 0 peak 22813 ppm1 0.753 ppm2 1.813 volume 0.7430 assi ((( attr rmsd < 0.801) and (attr rmsd > 0.701)) and bondedto(attr rmsd < 66.611 and attr rmsd > 65.611)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 12814 ppm1 0.751 ppm2 1.716 volume 1.3077 assi ((( attr rmsd < 0.801) and (attr rmsd > 0.701)) and bondedto(attr rmsd < 19.091 and attr rmsd > 18.091)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 22814 ppm1 0.751 ppm2 1.716 volume 1.3077 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 66.634 and attr rmsd > 65.634)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 12815 ppm1 0.754 ppm2 0.763 volume 23.4164 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 19.114 and attr rmsd > 18.114)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 22815 ppm1 0.754 ppm2 0.763 volume 23.4164 assi ((( attr rmsd < 0.792) and (attr rmsd > 0.692)) and bondedto(attr rmsd < 66.672 and attr rmsd > 65.672)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 12816 ppm1 0.742 ppm2 4.766 volume 0.2634 assi ((( attr rmsd < 0.792) and (attr rmsd > 0.692)) and bondedto(attr rmsd < 19.152 and attr rmsd > 18.152)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 22816 ppm1 0.742 ppm2 4.766 volume 0.2634 assi ((( attr rmsd < 0.798) and (attr rmsd > 0.698)) and bondedto(attr rmsd < 66.613 and attr rmsd > 65.613)) ( attr rmsd < 4.596 and attr rmsd > 4.496) 6 6 0 peak 12817 ppm1 0.748 ppm2 4.546 volume 0.6842 assi ((( attr rmsd < 0.798) and (attr rmsd > 0.698)) and bondedto(attr rmsd < 19.093 and attr rmsd > 18.093)) ( attr rmsd < 4.596 and attr rmsd > 4.496) 6 6 0 peak 22817 ppm1 0.748 ppm2 4.546 volume 0.6842 assi ((( attr rmsd < 0.799) and (attr rmsd > 0.699)) and bondedto(attr rmsd < 66.626 and attr rmsd > 65.626)) ( attr rmsd < 1.415 and attr rmsd > 1.315) 6 6 0 peak 12818 ppm1 0.749 ppm2 1.365 volume 0.8538 assi ((( attr rmsd < 0.799) and (attr rmsd > 0.699)) and bondedto(attr rmsd < 19.106 and attr rmsd > 18.106)) ( attr rmsd < 1.415 and attr rmsd > 1.315) 6 6 0 peak 22818 ppm1 0.749 ppm2 1.365 volume 0.8538 assi ((( attr rmsd < 0.581) and (attr rmsd > 0.481)) and bondedto(attr rmsd < 66.710 and attr rmsd > 65.710)) ( attr rmsd < 0.588 and attr rmsd > 0.488) 6 6 0 peak 12819 ppm1 0.531 ppm2 0.538 volume 0.1513 assi ((( attr rmsd < 0.581) and (attr rmsd > 0.481)) and bondedto(attr rmsd < 19.190 and attr rmsd > 18.190)) ( attr rmsd < 0.588 and attr rmsd > 0.488) 6 6 0 peak 22819 ppm1 0.531 ppm2 0.538 volume 0.1513 assi ((( attr rmsd < 4.871) and (attr rmsd > 4.771)) and bondedto(attr rmsd < 43.004 and attr rmsd > 42.004)) ( attr rmsd < 1.481 and attr rmsd > 1.381) 6 6 0 peak 2820 ppm1 4.821 ppm2 1.431 volume 0.2600 assi ((( attr rmsd < 4.815) and (attr rmsd > 4.715)) and bondedto(attr rmsd < 42.974 and attr rmsd > 41.974)) ( attr rmsd < 1.573 and attr rmsd > 1.473) 6 6 0 peak 2821 ppm1 4.765 ppm2 1.523 volume 0.1603 assi ((( attr rmsd < 4.736) and (attr rmsd > 4.636)) and bondedto(attr rmsd < 42.996 and attr rmsd > 41.996)) ( attr rmsd < 1.489 and attr rmsd > 1.389) 6 6 0 peak 2822 ppm1 4.686 ppm2 1.439 volume 0.3500 assi ((( attr rmsd < 4.134) and (attr rmsd > 4.034)) and bondedto(attr rmsd < 42.966 and attr rmsd > 41.966)) ( attr rmsd < 1.570 and attr rmsd > 1.470) 6 6 0 peak 2823 ppm1 4.084 ppm2 1.520 volume 0.1680 assi ((( attr rmsd < 3.310) and (attr rmsd > 3.210)) and bondedto(attr rmsd < 42.859 and attr rmsd > 41.859)) ( attr rmsd < 3.093 and attr rmsd > 2.993) 6 6 0 peak 2824 ppm1 3.260 ppm2 3.043 volume 0.1597 assi ((( attr rmsd < 3.077) and (attr rmsd > 2.977)) and bondedto(attr rmsd < 42.973 and attr rmsd > 41.973)) ( attr rmsd < 1.594 and attr rmsd > 1.494) 6 6 0 peak 2825 ppm1 3.027 ppm2 1.544 volume 0.7534 assi ((( attr rmsd < 2.778) and (attr rmsd > 2.678)) and bondedto(attr rmsd < 43.032 and attr rmsd > 42.032)) ( attr rmsd < 5.851 and attr rmsd > 5.751) 6 6 0 peak 2826 ppm1 2.728 ppm2 5.801 volume 0.2170 assi ((( attr rmsd < 2.787) and (attr rmsd > 2.687)) and bondedto(attr rmsd < 43.025 and attr rmsd > 42.025)) ( attr rmsd < 2.632 and attr rmsd > 2.532) 6 6 0 peak 2827 ppm1 2.737 ppm2 2.582 volume 0.5958 assi ((( attr rmsd < 2.629) and (attr rmsd > 2.529)) and bondedto(attr rmsd < 42.973 and attr rmsd > 41.973)) ( attr rmsd < 0.835 and attr rmsd > 0.735) 6 6 0 peak 2828 ppm1 2.579 ppm2 0.785 volume 0.3546 assi ((( attr rmsd < 2.162) and (attr rmsd > 2.062)) and bondedto(attr rmsd < 42.930 and attr rmsd > 41.930)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 2829 ppm1 2.112 ppm2 2.110 volume 2.3886 assi ((( attr rmsd < 1.683) and (attr rmsd > 1.583)) and bondedto(attr rmsd < 42.880 and attr rmsd > 41.880)) ( attr rmsd < 0.756 and attr rmsd > 0.656) 6 6 0 peak 2830 ppm1 1.633 ppm2 0.706 volume 0.2420 assi ((( attr rmsd < 1.608) and (attr rmsd > 1.508)) and bondedto(attr rmsd < 42.883 and attr rmsd > 41.883)) ( attr rmsd < 0.744 and attr rmsd > 0.644) 6 6 0 peak 2831 ppm1 1.558 ppm2 0.694 volume 0.3190 assi ((( attr rmsd < 1.580) and (attr rmsd > 1.480)) and bondedto(attr rmsd < 42.855 and attr rmsd > 41.855)) ( attr rmsd < 1.476 and attr rmsd > 1.376) 6 6 0 peak 2832 ppm1 1.530 ppm2 1.426 volume 1.3805 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 42.972 and attr rmsd > 41.972)) ( attr rmsd < 1.402 and attr rmsd > 1.302) 6 6 0 peak 2833 ppm1 1.527 ppm2 1.352 volume 0.4654 assi ((( attr rmsd < 1.581) and (attr rmsd > 1.481)) and bondedto(attr rmsd < 42.957 and attr rmsd > 41.957)) ( attr rmsd < 1.231 and attr rmsd > 1.131) 6 6 0 peak 2834 ppm1 1.531 ppm2 1.181 volume 0.3781 assi ((( attr rmsd < 1.471) and (attr rmsd > 1.371)) and bondedto(attr rmsd < 43.011 and attr rmsd > 42.011)) ( attr rmsd < 0.469 and attr rmsd > 0.369) 6 6 0 peak 2835 ppm1 1.421 ppm2 0.419 volume 0.3821 assi ((( attr rmsd < 1.357) and (attr rmsd > 1.257)) and bondedto(attr rmsd < 42.917 and attr rmsd > 41.917)) ( attr rmsd < 1.360 and attr rmsd > 1.260) 6 6 0 peak 2836 ppm1 1.307 ppm2 1.310 volume 0.4986 assi ((( attr rmsd < 4.882) and (attr rmsd > 4.782)) and bondedto(attr rmsd < 66.489 and attr rmsd > 65.489)) ( attr rmsd < 3.607 and attr rmsd > 3.507) 6 6 0 peak 12837 ppm1 4.832 ppm2 3.557 volume 0.1822 assi ((( attr rmsd < 4.882) and (attr rmsd > 4.782)) and bondedto(attr rmsd < 18.969 and attr rmsd > 17.969)) ( attr rmsd < 3.607 and attr rmsd > 3.507) 6 6 0 peak 22837 ppm1 4.832 ppm2 3.557 volume 0.1822 assi ((( attr rmsd < 4.880) and (attr rmsd > 4.780)) and bondedto(attr rmsd < 66.435 and attr rmsd > 65.435)) ( attr rmsd < 1.683 and attr rmsd > 1.583) 6 6 0 peak 12838 ppm1 4.830 ppm2 1.633 volume 0.2705 assi ((( attr rmsd < 4.880) and (attr rmsd > 4.780)) and bondedto(attr rmsd < 18.915 and attr rmsd > 17.915)) ( attr rmsd < 1.683 and attr rmsd > 1.583) 6 6 0 peak 22838 ppm1 4.830 ppm2 1.633 volume 0.2705 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 66.588 and attr rmsd > 65.588)) ( attr rmsd < 0.820 and attr rmsd > 0.720) 6 6 0 peak 12839 ppm1 4.833 ppm2 0.770 volume 0.3490 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 19.068 and attr rmsd > 18.068)) ( attr rmsd < 0.820 and attr rmsd > 0.720) 6 6 0 peak 22839 ppm1 4.833 ppm2 0.770 volume 0.3490 assi ((( attr rmsd < 4.753) and (attr rmsd > 4.653)) and bondedto(attr rmsd < 66.508 and attr rmsd > 65.508)) ( attr rmsd < 3.595 and attr rmsd > 3.495) 6 6 0 peak 12840 ppm1 4.703 ppm2 3.545 volume 0.1967 assi ((( attr rmsd < 4.753) and (attr rmsd > 4.653)) and bondedto(attr rmsd < 18.988 and attr rmsd > 17.988)) ( attr rmsd < 3.595 and attr rmsd > 3.495) 6 6 0 peak 22840 ppm1 4.703 ppm2 3.545 volume 0.1967 assi ((( attr rmsd < 4.745) and (attr rmsd > 4.645)) and bondedto(attr rmsd < 66.423 and attr rmsd > 65.423)) ( attr rmsd < 1.682 and attr rmsd > 1.582) 6 6 0 peak 12841 ppm1 4.695 ppm2 1.632 volume 0.3587 assi ((( attr rmsd < 4.745) and (attr rmsd > 4.645)) and bondedto(attr rmsd < 18.903 and attr rmsd > 17.903)) ( attr rmsd < 1.682 and attr rmsd > 1.582) 6 6 0 peak 22841 ppm1 4.695 ppm2 1.632 volume 0.3587 assi ((( attr rmsd < 4.544) and (attr rmsd > 4.444)) and bondedto(attr rmsd < 66.459 and attr rmsd > 65.459)) ( attr rmsd < 1.685 and attr rmsd > 1.585) 6 6 0 peak 12842 ppm1 4.494 ppm2 1.635 volume 0.1684 assi ((( attr rmsd < 4.544) and (attr rmsd > 4.444)) and bondedto(attr rmsd < 18.939 and attr rmsd > 17.939)) ( attr rmsd < 1.685 and attr rmsd > 1.585) 6 6 0 peak 22842 ppm1 4.494 ppm2 1.635 volume 0.1684 assi ((( attr rmsd < 4.364) and (attr rmsd > 4.264)) and bondedto(attr rmsd < 66.437 and attr rmsd > 65.437)) ( attr rmsd < 1.675 and attr rmsd > 1.575) 6 6 0 peak 12843 ppm1 4.314 ppm2 1.625 volume 0.1780 assi ((( attr rmsd < 4.364) and (attr rmsd > 4.264)) and bondedto(attr rmsd < 18.917 and attr rmsd > 17.917)) ( attr rmsd < 1.675 and attr rmsd > 1.575) 6 6 0 peak 22843 ppm1 4.314 ppm2 1.625 volume 0.1780 assi ((( attr rmsd < 3.579) and (attr rmsd > 3.479)) and bondedto(attr rmsd < 66.524 and attr rmsd > 65.524)) ( attr rmsd < 2.206 and attr rmsd > 2.106) 6 6 0 peak 12844 ppm1 3.529 ppm2 2.156 volume 0.2502 assi ((( attr rmsd < 3.579) and (attr rmsd > 3.479)) and bondedto(attr rmsd < 19.004 and attr rmsd > 18.004)) ( attr rmsd < 2.206 and attr rmsd > 2.106) 6 6 0 peak 22844 ppm1 3.529 ppm2 2.156 volume 0.2502 assi ((( attr rmsd < 3.583) and (attr rmsd > 3.483)) and bondedto(attr rmsd < 66.499 and attr rmsd > 65.499)) ( attr rmsd < 0.263 and attr rmsd > 0.163) 6 6 0 peak 12845 ppm1 3.533 ppm2 0.213 volume 0.4075 assi ((( attr rmsd < 3.583) and (attr rmsd > 3.483)) and bondedto(attr rmsd < 18.979 and attr rmsd > 17.979)) ( attr rmsd < 0.263 and attr rmsd > 0.163) 6 6 0 peak 22845 ppm1 3.533 ppm2 0.213 volume 0.4075 assi ((( attr rmsd < 1.762) and (attr rmsd > 1.662)) and bondedto(attr rmsd < 66.573 and attr rmsd > 65.573)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 12846 ppm1 1.712 ppm2 0.763 volume 0.1844 assi ((( attr rmsd < 1.762) and (attr rmsd > 1.662)) and bondedto(attr rmsd < 19.053 and attr rmsd > 18.053)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 22846 ppm1 1.712 ppm2 0.763 volume 0.1844 assi ((( attr rmsd < 1.670) and (attr rmsd > 1.570)) and bondedto(attr rmsd < 66.428 and attr rmsd > 65.428)) ( attr rmsd < 1.111 and attr rmsd > 1.011) 6 6 0 peak 12847 ppm1 1.620 ppm2 1.061 volume 0.2387 assi ((( attr rmsd < 1.670) and (attr rmsd > 1.570)) and bondedto(attr rmsd < 18.908 and attr rmsd > 17.908)) ( attr rmsd < 1.111 and attr rmsd > 1.011) 6 6 0 peak 22847 ppm1 1.620 ppm2 1.061 volume 0.2387 assi ((( attr rmsd < 0.967) and (attr rmsd > 0.867)) and bondedto(attr rmsd < 66.481 and attr rmsd > 65.481)) ( attr rmsd < 0.761 and attr rmsd > 0.661) 6 6 0 peak 12848 ppm1 0.917 ppm2 0.711 volume 0.2059 assi ((( attr rmsd < 0.967) and (attr rmsd > 0.867)) and bondedto(attr rmsd < 18.961 and attr rmsd > 17.961)) ( attr rmsd < 0.761 and attr rmsd > 0.661) 6 6 0 peak 22848 ppm1 0.917 ppm2 0.711 volume 0.2059 assi ((( attr rmsd < 0.801) and (attr rmsd > 0.701)) and bondedto(attr rmsd < 66.591 and attr rmsd > 65.591)) ( attr rmsd < 0.946 and attr rmsd > 0.846) 6 6 0 peak 12849 ppm1 0.751 ppm2 0.896 volume 1.3897 assi ((( attr rmsd < 0.801) and (attr rmsd > 0.701)) and bondedto(attr rmsd < 19.071 and attr rmsd > 18.071)) ( attr rmsd < 0.946 and attr rmsd > 0.846) 6 6 0 peak 22849 ppm1 0.751 ppm2 0.896 volume 1.3897 assi ((( attr rmsd < 3.585) and (attr rmsd > 3.485)) and bondedto(attr rmsd < 42.685 and attr rmsd > 41.685)) ( attr rmsd < 3.473 and attr rmsd > 3.373) 6 6 0 peak 2850 ppm1 3.535 ppm2 3.423 volume 0.2550 assi ((( attr rmsd < 3.075) and (attr rmsd > 2.975)) and bondedto(attr rmsd < 42.740 and attr rmsd > 41.740)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 2851 ppm1 3.025 ppm2 4.142 volume 0.4754 assi ((( attr rmsd < 2.784) and (attr rmsd > 2.684)) and bondedto(attr rmsd < 42.833 and attr rmsd > 41.833)) ( attr rmsd < 0.830 and attr rmsd > 0.730) 6 6 0 peak 2852 ppm1 2.734 ppm2 0.780 volume 0.4055 assi ((( attr rmsd < 1.930) and (attr rmsd > 1.830)) and bondedto(attr rmsd < 42.732 and attr rmsd > 41.732)) ( attr rmsd < 4.542 and attr rmsd > 4.442) 6 6 0 peak 2853 ppm1 1.880 ppm2 4.492 volume 0.1784 assi ((( attr rmsd < 1.930) and (attr rmsd > 1.830)) and bondedto(attr rmsd < 42.723 and attr rmsd > 41.723)) ( attr rmsd < 1.931 and attr rmsd > 1.831) 6 6 0 peak 2854 ppm1 1.880 ppm2 1.881 volume 0.8207 assi ((( attr rmsd < 1.931) and (attr rmsd > 1.831)) and bondedto(attr rmsd < 42.740 and attr rmsd > 41.740)) ( attr rmsd < 1.610 and attr rmsd > 1.510) 6 6 0 peak 2855 ppm1 1.881 ppm2 1.560 volume 0.5278 assi ((( attr rmsd < 1.929) and (attr rmsd > 1.829)) and bondedto(attr rmsd < 42.717 and attr rmsd > 41.717)) ( attr rmsd < 0.952 and attr rmsd > 0.852) 6 6 0 peak 2856 ppm1 1.879 ppm2 0.902 volume 0.5085 assi ((( attr rmsd < 1.667) and (attr rmsd > 1.567)) and bondedto(attr rmsd < 42.670 and attr rmsd > 41.670)) ( attr rmsd < 4.425 and attr rmsd > 4.325) 6 6 0 peak 2857 ppm1 1.617 ppm2 4.375 volume 0.3584 assi ((( attr rmsd < 1.664) and (attr rmsd > 1.564)) and bondedto(attr rmsd < 42.777 and attr rmsd > 41.777)) ( attr rmsd < 4.280 and attr rmsd > 4.180) 6 6 0 peak 2858 ppm1 1.614 ppm2 4.230 volume 0.3007 assi ((( attr rmsd < 1.670) and (attr rmsd > 1.570)) and bondedto(attr rmsd < 42.665 and attr rmsd > 41.665)) ( attr rmsd < 1.673 and attr rmsd > 1.573) 6 6 0 peak 2859 ppm1 1.620 ppm2 1.623 volume 7.7434 assi ((( attr rmsd < 1.642) and (attr rmsd > 1.542)) and bondedto(attr rmsd < 42.777 and attr rmsd > 41.777)) ( attr rmsd < 4.285 and attr rmsd > 4.185) 6 6 0 peak 2860 ppm1 1.592 ppm2 4.235 volume 0.3094 assi ((( attr rmsd < 1.621) and (attr rmsd > 1.521)) and bondedto(attr rmsd < 42.839 and attr rmsd > 41.839)) ( attr rmsd < 3.882 and attr rmsd > 3.782) 6 6 0 peak 2861 ppm1 1.571 ppm2 3.832 volume 0.1637 assi ((( attr rmsd < 1.621) and (attr rmsd > 1.521)) and bondedto(attr rmsd < 42.716 and attr rmsd > 41.716)) ( attr rmsd < 2.264 and attr rmsd > 2.164) 6 6 0 peak 2862 ppm1 1.571 ppm2 2.214 volume 0.1691 assi ((( attr rmsd < 1.614) and (attr rmsd > 1.514)) and bondedto(attr rmsd < 42.720 and attr rmsd > 41.720)) ( attr rmsd < 1.923 and attr rmsd > 1.823) 6 6 0 peak 2863 ppm1 1.564 ppm2 1.873 volume 0.8441 assi ((( attr rmsd < 1.584) and (attr rmsd > 1.484)) and bondedto(attr rmsd < 42.757 and attr rmsd > 41.757)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 2864 ppm1 1.534 ppm2 4.774 volume 0.2000 assi ((( attr rmsd < 1.024) and (attr rmsd > 0.924)) and bondedto(attr rmsd < 42.809 and attr rmsd > 41.809)) ( attr rmsd < 0.803 and attr rmsd > 0.703) 6 6 0 peak 2865 ppm1 0.974 ppm2 0.753 volume 0.1514 assi ((( attr rmsd < 0.952) and (attr rmsd > 0.852)) and bondedto(attr rmsd < 42.776 and attr rmsd > 41.776)) ( attr rmsd < 0.956 and attr rmsd > 0.856) 6 6 0 peak 2866 ppm1 0.902 ppm2 0.906 volume 4.1061 assi ((( attr rmsd < 0.421) and (attr rmsd > 0.321)) and bondedto(attr rmsd < 42.688 and attr rmsd > 41.688)) ( attr rmsd < 0.424 and attr rmsd > 0.324) 6 6 0 peak 2867 ppm1 0.371 ppm2 0.374 volume 0.5944 assi ((( attr rmsd < 4.915) and (attr rmsd > 4.815)) and bondedto(attr rmsd < 66.267 and attr rmsd > 65.267)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 12868 ppm1 4.865 ppm2 3.016 volume 3.9643 assi ((( attr rmsd < 4.915) and (attr rmsd > 4.815)) and bondedto(attr rmsd < 18.747 and attr rmsd > 17.747)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 22868 ppm1 4.865 ppm2 3.016 volume 3.9643 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 66.408 and attr rmsd > 65.408)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 12869 ppm1 4.851 ppm2 4.778 volume 0.2954 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 18.888 and attr rmsd > 17.888)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 22869 ppm1 4.851 ppm2 4.778 volume 0.2954 assi ((( attr rmsd < 4.846) and (attr rmsd > 4.746)) and bondedto(attr rmsd < 66.260 and attr rmsd > 65.260)) ( attr rmsd < 2.971 and attr rmsd > 2.871) 6 6 0 peak 12870 ppm1 4.796 ppm2 2.921 volume 0.3532 assi ((( attr rmsd < 4.846) and (attr rmsd > 4.746)) and bondedto(attr rmsd < 18.740 and attr rmsd > 17.740)) ( attr rmsd < 2.971 and attr rmsd > 2.871) 6 6 0 peak 22870 ppm1 4.796 ppm2 2.921 volume 0.3532 assi ((( attr rmsd < 4.832) and (attr rmsd > 4.732)) and bondedto(attr rmsd < 66.297 and attr rmsd > 65.297)) ( attr rmsd < 3.144 and attr rmsd > 3.044) 6 6 0 peak 12871 ppm1 4.782 ppm2 3.094 volume 0.5690 assi ((( attr rmsd < 4.832) and (attr rmsd > 4.732)) and bondedto(attr rmsd < 18.777 and attr rmsd > 17.777)) ( attr rmsd < 3.144 and attr rmsd > 3.044) 6 6 0 peak 22871 ppm1 4.782 ppm2 3.094 volume 0.5690 assi ((( attr rmsd < 4.821) and (attr rmsd > 4.721)) and bondedto(attr rmsd < 66.402 and attr rmsd > 65.402)) ( attr rmsd < 1.686 and attr rmsd > 1.586) 6 6 0 peak 12872 ppm1 4.771 ppm2 1.636 volume 0.1920 assi ((( attr rmsd < 4.821) and (attr rmsd > 4.721)) and bondedto(attr rmsd < 18.882 and attr rmsd > 17.882)) ( attr rmsd < 1.686 and attr rmsd > 1.586) 6 6 0 peak 22872 ppm1 4.771 ppm2 1.636 volume 0.1920 assi ((( attr rmsd < 4.778) and (attr rmsd > 4.678)) and bondedto(attr rmsd < 66.284 and attr rmsd > 65.284)) ( attr rmsd < 3.063 and attr rmsd > 2.963) 6 6 0 peak 12873 ppm1 4.728 ppm2 3.013 volume 2.5022 assi ((( attr rmsd < 4.778) and (attr rmsd > 4.678)) and bondedto(attr rmsd < 18.764 and attr rmsd > 17.764)) ( attr rmsd < 3.063 and attr rmsd > 2.963) 6 6 0 peak 22873 ppm1 4.728 ppm2 3.013 volume 2.5022 assi ((( attr rmsd < 4.703) and (attr rmsd > 4.603)) and bondedto(attr rmsd < 66.404 and attr rmsd > 65.404)) ( attr rmsd < 1.669 and attr rmsd > 1.569) 6 6 0 peak 12874 ppm1 4.653 ppm2 1.619 volume 0.2343 assi ((( attr rmsd < 4.703) and (attr rmsd > 4.603)) and bondedto(attr rmsd < 18.884 and attr rmsd > 17.884)) ( attr rmsd < 1.669 and attr rmsd > 1.569) 6 6 0 peak 22874 ppm1 4.653 ppm2 1.619 volume 0.2343 assi ((( attr rmsd < 4.670) and (attr rmsd > 4.570)) and bondedto(attr rmsd < 66.406 and attr rmsd > 65.406)) ( attr rmsd < 1.679 and attr rmsd > 1.579) 6 6 0 peak 12875 ppm1 4.620 ppm2 1.629 volume 0.2230 assi ((( attr rmsd < 4.670) and (attr rmsd > 4.570)) and bondedto(attr rmsd < 18.886 and attr rmsd > 17.886)) ( attr rmsd < 1.679 and attr rmsd > 1.579) 6 6 0 peak 22875 ppm1 4.620 ppm2 1.629 volume 0.2230 assi ((( attr rmsd < 4.586) and (attr rmsd > 4.486)) and bondedto(attr rmsd < 66.393 and attr rmsd > 65.393)) ( attr rmsd < 1.674 and attr rmsd > 1.574) 6 6 0 peak 12876 ppm1 4.536 ppm2 1.624 volume 0.1565 assi ((( attr rmsd < 4.586) and (attr rmsd > 4.486)) and bondedto(attr rmsd < 18.873 and attr rmsd > 17.873)) ( attr rmsd < 1.674 and attr rmsd > 1.574) 6 6 0 peak 22876 ppm1 4.536 ppm2 1.624 volume 0.1565 assi ((( attr rmsd < 4.149) and (attr rmsd > 4.049)) and bondedto(attr rmsd < 66.244 and attr rmsd > 65.244)) ( attr rmsd < 2.378 and attr rmsd > 2.278) 6 6 0 peak 12877 ppm1 4.099 ppm2 2.328 volume 0.6024 assi ((( attr rmsd < 4.149) and (attr rmsd > 4.049)) and bondedto(attr rmsd < 18.724 and attr rmsd > 17.724)) ( attr rmsd < 2.378 and attr rmsd > 2.278) 6 6 0 peak 22877 ppm1 4.099 ppm2 2.328 volume 0.6024 assi ((( attr rmsd < 4.150) and (attr rmsd > 4.050)) and bondedto(attr rmsd < 66.349 and attr rmsd > 65.349)) ( attr rmsd < 1.688 and attr rmsd > 1.588) 6 6 0 peak 12878 ppm1 4.100 ppm2 1.638 volume 0.1566 assi ((( attr rmsd < 4.150) and (attr rmsd > 4.050)) and bondedto(attr rmsd < 18.829 and attr rmsd > 17.829)) ( attr rmsd < 1.688 and attr rmsd > 1.588) 6 6 0 peak 22878 ppm1 4.100 ppm2 1.638 volume 0.1566 assi ((( attr rmsd < 4.148) and (attr rmsd > 4.048)) and bondedto(attr rmsd < 66.241 and attr rmsd > 65.241)) ( attr rmsd < 0.706 and attr rmsd > 0.606) 6 6 0 peak 12879 ppm1 4.098 ppm2 0.656 volume 0.2507 assi ((( attr rmsd < 4.148) and (attr rmsd > 4.048)) and bondedto(attr rmsd < 18.721 and attr rmsd > 17.721)) ( attr rmsd < 0.706 and attr rmsd > 0.606) 6 6 0 peak 22879 ppm1 4.098 ppm2 0.656 volume 0.2507 assi ((( attr rmsd < 3.914) and (attr rmsd > 3.814)) and bondedto(attr rmsd < 66.243 and attr rmsd > 65.243)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 12880 ppm1 3.864 ppm2 3.867 volume 1.4563 assi ((( attr rmsd < 3.914) and (attr rmsd > 3.814)) and bondedto(attr rmsd < 18.723 and attr rmsd > 17.723)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 22880 ppm1 3.864 ppm2 3.867 volume 1.4563 assi ((( attr rmsd < 3.778) and (attr rmsd > 3.678)) and bondedto(attr rmsd < 66.381 and attr rmsd > 65.381)) ( attr rmsd < 3.633 and attr rmsd > 3.533) 6 6 0 peak 12881 ppm1 3.728 ppm2 3.583 volume 0.3098 assi ((( attr rmsd < 3.778) and (attr rmsd > 3.678)) and bondedto(attr rmsd < 18.861 and attr rmsd > 17.861)) ( attr rmsd < 3.633 and attr rmsd > 3.533) 6 6 0 peak 22881 ppm1 3.728 ppm2 3.583 volume 0.3098 assi ((( attr rmsd < 3.736) and (attr rmsd > 3.636)) and bondedto(attr rmsd < 66.362 and attr rmsd > 65.362)) ( attr rmsd < 3.559 and attr rmsd > 3.459) 6 6 0 peak 12882 ppm1 3.686 ppm2 3.509 volume 0.4089 assi ((( attr rmsd < 3.736) and (attr rmsd > 3.636)) and bondedto(attr rmsd < 18.842 and attr rmsd > 17.842)) ( attr rmsd < 3.559 and attr rmsd > 3.459) 6 6 0 peak 22882 ppm1 3.686 ppm2 3.509 volume 0.4089 assi ((( attr rmsd < 3.628) and (attr rmsd > 3.528)) and bondedto(attr rmsd < 66.355 and attr rmsd > 65.355)) ( attr rmsd < 3.815 and attr rmsd > 3.715) 6 6 0 peak 12883 ppm1 3.578 ppm2 3.765 volume 0.2564 assi ((( attr rmsd < 3.628) and (attr rmsd > 3.528)) and bondedto(attr rmsd < 18.835 and attr rmsd > 17.835)) ( attr rmsd < 3.815 and attr rmsd > 3.715) 6 6 0 peak 22883 ppm1 3.578 ppm2 3.765 volume 0.2564 assi ((( attr rmsd < 3.610) and (attr rmsd > 3.510)) and bondedto(attr rmsd < 66.237 and attr rmsd > 65.237)) ( attr rmsd < 0.828 and attr rmsd > 0.728) 6 6 0 peak 12884 ppm1 3.560 ppm2 0.778 volume 0.8867 assi ((( attr rmsd < 3.610) and (attr rmsd > 3.510)) and bondedto(attr rmsd < 18.717 and attr rmsd > 17.717)) ( attr rmsd < 0.828 and attr rmsd > 0.728) 6 6 0 peak 22884 ppm1 3.560 ppm2 0.778 volume 0.8867 assi ((( attr rmsd < 3.123) and (attr rmsd > 3.023)) and bondedto(attr rmsd < 66.316 and attr rmsd > 65.316)) ( attr rmsd < 3.230 and attr rmsd > 3.130) 6 6 0 peak 12885 ppm1 3.073 ppm2 3.180 volume 4.0360 assi ((( attr rmsd < 3.123) and (attr rmsd > 3.023)) and bondedto(attr rmsd < 18.796 and attr rmsd > 17.796)) ( attr rmsd < 3.230 and attr rmsd > 3.130) 6 6 0 peak 22885 ppm1 3.073 ppm2 3.180 volume 4.0360 assi ((( attr rmsd < 3.125) and (attr rmsd > 3.025)) and bondedto(attr rmsd < 66.306 and attr rmsd > 65.306)) ( attr rmsd < 1.643 and attr rmsd > 1.543) 6 6 0 peak 12886 ppm1 3.075 ppm2 1.593 volume 0.3741 assi ((( attr rmsd < 3.125) and (attr rmsd > 3.025)) and bondedto(attr rmsd < 18.786 and attr rmsd > 17.786)) ( attr rmsd < 1.643 and attr rmsd > 1.543) 6 6 0 peak 22886 ppm1 3.075 ppm2 1.593 volume 0.3741 assi ((( attr rmsd < 3.106) and (attr rmsd > 3.006)) and bondedto(attr rmsd < 66.280 and attr rmsd > 65.280)) ( attr rmsd < 3.009 and attr rmsd > 2.909) 6 6 0 peak 12887 ppm1 3.056 ppm2 2.959 volume 11.7903 assi ((( attr rmsd < 3.106) and (attr rmsd > 3.006)) and bondedto(attr rmsd < 18.760 and attr rmsd > 17.760)) ( attr rmsd < 3.009 and attr rmsd > 2.909) 6 6 0 peak 22887 ppm1 3.056 ppm2 2.959 volume 11.7903 assi ((( attr rmsd < 3.110) and (attr rmsd > 3.010)) and bondedto(attr rmsd < 66.280 and attr rmsd > 65.280)) ( attr rmsd < 1.955 and attr rmsd > 1.855) 6 6 0 peak 12888 ppm1 3.060 ppm2 1.905 volume 0.4455 assi ((( attr rmsd < 3.110) and (attr rmsd > 3.010)) and bondedto(attr rmsd < 18.760 and attr rmsd > 17.760)) ( attr rmsd < 1.955 and attr rmsd > 1.855) 6 6 0 peak 22888 ppm1 3.060 ppm2 1.905 volume 0.4455 assi ((( attr rmsd < 3.073) and (attr rmsd > 2.973)) and bondedto(attr rmsd < 66.317 and attr rmsd > 65.317)) ( attr rmsd < 3.183 and attr rmsd > 3.083) 6 6 0 peak 12889 ppm1 3.023 ppm2 3.133 volume 6.9263 assi ((( attr rmsd < 3.073) and (attr rmsd > 2.973)) and bondedto(attr rmsd < 18.797 and attr rmsd > 17.797)) ( attr rmsd < 3.183 and attr rmsd > 3.083) 6 6 0 peak 22889 ppm1 3.023 ppm2 3.133 volume 6.9263 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 66.314 and attr rmsd > 65.314)) ( attr rmsd < 2.967 and attr rmsd > 2.867) 6 6 0 peak 12890 ppm1 3.016 ppm2 2.917 volume 29.0890 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 18.794 and attr rmsd > 17.794)) ( attr rmsd < 2.967 and attr rmsd > 2.867) 6 6 0 peak 22890 ppm1 3.016 ppm2 2.917 volume 29.0890 assi ((( attr rmsd < 3.062) and (attr rmsd > 2.962)) and bondedto(attr rmsd < 66.301 and attr rmsd > 65.301)) ( attr rmsd < 1.898 and attr rmsd > 1.798) 6 6 0 peak 12891 ppm1 3.012 ppm2 1.848 volume 0.8667 assi ((( attr rmsd < 3.062) and (attr rmsd > 2.962)) and bondedto(attr rmsd < 18.781 and attr rmsd > 17.781)) ( attr rmsd < 1.898 and attr rmsd > 1.798) 6 6 0 peak 22891 ppm1 3.012 ppm2 1.848 volume 0.8667 assi ((( attr rmsd < 2.800) and (attr rmsd > 2.700)) and bondedto(attr rmsd < 66.291 and attr rmsd > 65.291)) ( attr rmsd < 3.065 and attr rmsd > 2.965) 6 6 0 peak 12892 ppm1 2.750 ppm2 3.015 volume 0.7976 assi ((( attr rmsd < 2.800) and (attr rmsd > 2.700)) and bondedto(attr rmsd < 18.771 and attr rmsd > 17.771)) ( attr rmsd < 3.065 and attr rmsd > 2.965) 6 6 0 peak 22892 ppm1 2.750 ppm2 3.015 volume 0.7976 assi ((( attr rmsd < 2.725) and (attr rmsd > 2.625)) and bondedto(attr rmsd < 66.275 and attr rmsd > 65.275)) ( attr rmsd < 3.063 and attr rmsd > 2.963) 6 6 0 peak 12893 ppm1 2.675 ppm2 3.013 volume 0.7015 assi ((( attr rmsd < 2.725) and (attr rmsd > 2.625)) and bondedto(attr rmsd < 18.755 and attr rmsd > 17.755)) ( attr rmsd < 3.063 and attr rmsd > 2.963) 6 6 0 peak 22893 ppm1 2.675 ppm2 3.013 volume 0.7015 assi ((( attr rmsd < 2.159) and (attr rmsd > 2.059)) and bondedto(attr rmsd < 66.289 and attr rmsd > 65.289)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 12894 ppm1 2.109 ppm2 2.110 volume 2.7014 assi ((( attr rmsd < 2.159) and (attr rmsd > 2.059)) and bondedto(attr rmsd < 18.769 and attr rmsd > 17.769)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 22894 ppm1 2.109 ppm2 2.110 volume 2.7014 assi ((( attr rmsd < 1.755) and (attr rmsd > 1.655)) and bondedto(attr rmsd < 66.255 and attr rmsd > 65.255)) ( attr rmsd < 2.971 and attr rmsd > 2.871) 6 6 0 peak 12895 ppm1 1.705 ppm2 2.921 volume 0.9942 assi ((( attr rmsd < 1.755) and (attr rmsd > 1.655)) and bondedto(attr rmsd < 18.735 and attr rmsd > 17.735)) ( attr rmsd < 2.971 and attr rmsd > 2.871) 6 6 0 peak 22895 ppm1 1.705 ppm2 2.921 volume 0.9942 assi ((( attr rmsd < 1.744) and (attr rmsd > 1.644)) and bondedto(attr rmsd < 66.293 and attr rmsd > 65.293)) ( attr rmsd < 1.357 and attr rmsd > 1.257) 6 6 0 peak 12896 ppm1 1.694 ppm2 1.307 volume 0.1849 assi ((( attr rmsd < 1.744) and (attr rmsd > 1.644)) and bondedto(attr rmsd < 18.773 and attr rmsd > 17.773)) ( attr rmsd < 1.357 and attr rmsd > 1.257) 6 6 0 peak 22896 ppm1 1.694 ppm2 1.307 volume 0.1849 assi ((( attr rmsd < 1.664) and (attr rmsd > 1.564)) and bondedto(attr rmsd < 66.403 and attr rmsd > 65.403)) ( attr rmsd < 1.458 and attr rmsd > 1.358) 6 6 0 peak 12897 ppm1 1.614 ppm2 1.408 volume 0.6079 assi ((( attr rmsd < 1.664) and (attr rmsd > 1.564)) and bondedto(attr rmsd < 18.883 and attr rmsd > 17.883)) ( attr rmsd < 1.458 and attr rmsd > 1.358) 6 6 0 peak 22897 ppm1 1.614 ppm2 1.408 volume 0.6079 assi ((( attr rmsd < 1.059) and (attr rmsd > 0.959)) and bondedto(attr rmsd < 66.403 and attr rmsd > 65.403)) ( attr rmsd < 0.970 and attr rmsd > 0.870) 6 6 0 peak 12898 ppm1 1.009 ppm2 0.920 volume 0.2604 assi ((( attr rmsd < 1.059) and (attr rmsd > 0.959)) and bondedto(attr rmsd < 18.883 and attr rmsd > 17.883)) ( attr rmsd < 0.970 and attr rmsd > 0.870) 6 6 0 peak 22898 ppm1 1.009 ppm2 0.920 volume 0.2604 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 66.255 and attr rmsd > 65.255)) ( attr rmsd < 5.029 and attr rmsd > 4.929) 6 6 0 peak 12899 ppm1 0.849 ppm2 4.979 volume 0.7140 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 18.735 and attr rmsd > 17.735)) ( attr rmsd < 5.029 and attr rmsd > 4.929) 6 6 0 peak 22899 ppm1 0.849 ppm2 4.979 volume 0.7140 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 66.241 and attr rmsd > 65.241)) ( attr rmsd < 2.790 and attr rmsd > 2.690) 6 6 0 peak 12900 ppm1 0.849 ppm2 2.740 volume 0.4090 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 18.721 and attr rmsd > 17.721)) ( attr rmsd < 2.790 and attr rmsd > 2.690) 6 6 0 peak 22900 ppm1 0.849 ppm2 2.740 volume 0.4090 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 66.307 and attr rmsd > 65.307)) ( attr rmsd < 2.633 and attr rmsd > 2.533) 6 6 0 peak 12901 ppm1 0.849 ppm2 2.583 volume 0.2798 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 18.787 and attr rmsd > 17.787)) ( attr rmsd < 2.633 and attr rmsd > 2.533) 6 6 0 peak 22901 ppm1 0.849 ppm2 2.583 volume 0.2798 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) and bondedto(attr rmsd < 66.242 and attr rmsd > 65.242)) ( attr rmsd < 1.175 and attr rmsd > 1.075) 6 6 0 peak 12902 ppm1 0.848 ppm2 1.125 volume 0.5721 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) and bondedto(attr rmsd < 18.722 and attr rmsd > 17.722)) ( attr rmsd < 1.175 and attr rmsd > 1.075) 6 6 0 peak 22902 ppm1 0.848 ppm2 1.125 volume 0.5721 assi ((( attr rmsd < 4.868) and (attr rmsd > 4.768)) and bondedto(attr rmsd < 42.550 and attr rmsd > 41.550)) ( attr rmsd < 3.088 and attr rmsd > 2.988) 6 6 0 peak 2903 ppm1 4.818 ppm2 3.038 volume 1.6451 assi ((( attr rmsd < 4.841) and (attr rmsd > 4.741)) and bondedto(attr rmsd < 42.551 and attr rmsd > 41.551)) ( attr rmsd < 3.060 and attr rmsd > 2.960) 6 6 0 peak 2904 ppm1 4.791 ppm2 3.010 volume 1.1142 assi ((( attr rmsd < 4.725) and (attr rmsd > 4.625)) and bondedto(attr rmsd < 42.509 and attr rmsd > 41.509)) ( attr rmsd < 4.773 and attr rmsd > 4.673) 6 6 0 peak 2905 ppm1 4.675 ppm2 4.723 volume 0.2244 assi ((( attr rmsd < 4.735) and (attr rmsd > 4.635)) and bondedto(attr rmsd < 42.556 and attr rmsd > 41.556)) ( attr rmsd < 3.083 and attr rmsd > 2.983) 6 6 0 peak 2906 ppm1 4.685 ppm2 3.033 volume 3.1795 assi ((( attr rmsd < 4.416) and (attr rmsd > 4.316)) and bondedto(attr rmsd < 42.640 and attr rmsd > 41.640)) ( attr rmsd < 1.673 and attr rmsd > 1.573) 6 6 0 peak 2907 ppm1 4.366 ppm2 1.623 volume 0.1829 assi ((( attr rmsd < 4.300) and (attr rmsd > 4.200)) and bondedto(attr rmsd < 42.532 and attr rmsd > 41.532)) ( attr rmsd < 3.071 and attr rmsd > 2.971) 6 6 0 peak 2908 ppm1 4.250 ppm2 3.021 volume 0.8926 assi ((( attr rmsd < 3.728) and (attr rmsd > 3.628)) and bondedto(attr rmsd < 42.593 and attr rmsd > 41.593)) ( attr rmsd < 3.643 and attr rmsd > 3.543) 6 6 0 peak 2909 ppm1 3.678 ppm2 3.593 volume 2.2102 assi ((( attr rmsd < 3.637) and (attr rmsd > 3.537)) and bondedto(attr rmsd < 42.590 and attr rmsd > 41.590)) ( attr rmsd < 3.729 and attr rmsd > 3.629) 6 6 0 peak 2910 ppm1 3.587 ppm2 3.679 volume 1.9032 assi ((( attr rmsd < 3.485) and (attr rmsd > 3.385)) and bondedto(attr rmsd < 42.556 and attr rmsd > 41.556)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 2911 ppm1 3.435 ppm2 3.016 volume 0.5349 assi ((( attr rmsd < 3.111) and (attr rmsd > 3.011)) and bondedto(attr rmsd < 42.577 and attr rmsd > 41.577)) ( attr rmsd < 1.778 and attr rmsd > 1.678) 6 6 0 peak 2912 ppm1 3.061 ppm2 1.728 volume 1.9107 assi ((( attr rmsd < 3.060) and (attr rmsd > 2.960)) and bondedto(attr rmsd < 42.647 and attr rmsd > 41.647)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 2913 ppm1 3.010 ppm2 4.775 volume 2.0840 assi ((( attr rmsd < 3.061) and (attr rmsd > 2.961)) and bondedto(attr rmsd < 42.544 and attr rmsd > 41.544)) ( attr rmsd < 3.067 and attr rmsd > 2.967) 6 6 0 peak 2914 ppm1 3.011 ppm2 3.017 volume 224.4452 assi ((( attr rmsd < 3.044) and (attr rmsd > 2.944)) and bondedto(attr rmsd < 42.495 and attr rmsd > 41.495)) ( attr rmsd < 3.269 and attr rmsd > 3.169) 6 6 0 peak 2915 ppm1 2.994 ppm2 3.219 volume 0.2309 assi ((( attr rmsd < 3.043) and (attr rmsd > 2.943)) and bondedto(attr rmsd < 42.607 and attr rmsd > 41.607)) ( attr rmsd < 1.776 and attr rmsd > 1.676) 6 6 0 peak 2916 ppm1 2.993 ppm2 1.726 volume 1.4095 assi ((( attr rmsd < 2.999) and (attr rmsd > 2.899)) and bondedto(attr rmsd < 42.564 and attr rmsd > 41.564)) ( attr rmsd < 3.230 and attr rmsd > 3.130) 6 6 0 peak 2917 ppm1 2.949 ppm2 3.180 volume 0.1553 assi ((( attr rmsd < 2.962) and (attr rmsd > 2.862)) and bondedto(attr rmsd < 42.490 and attr rmsd > 41.490)) ( attr rmsd < 1.418 and attr rmsd > 1.318) 6 6 0 peak 2918 ppm1 2.912 ppm2 1.368 volume 0.4202 assi ((( attr rmsd < 2.166) and (attr rmsd > 2.066)) and bondedto(attr rmsd < 42.544 and attr rmsd > 41.544)) ( attr rmsd < 2.075 and attr rmsd > 1.975) 6 6 0 peak 2919 ppm1 2.116 ppm2 2.025 volume 0.3980 assi ((( attr rmsd < 1.761) and (attr rmsd > 1.661)) and bondedto(attr rmsd < 42.556 and attr rmsd > 41.556)) ( attr rmsd < 3.072 and attr rmsd > 2.972) 6 6 0 peak 2920 ppm1 1.711 ppm2 3.022 volume 4.3914 assi ((( attr rmsd < 1.744) and (attr rmsd > 1.644)) and bondedto(attr rmsd < 42.577 and attr rmsd > 41.577)) ( attr rmsd < 4.476 and attr rmsd > 4.376) 6 6 0 peak 2921 ppm1 1.694 ppm2 4.426 volume 0.2586 assi ((( attr rmsd < 1.660) and (attr rmsd > 1.560)) and bondedto(attr rmsd < 42.589 and attr rmsd > 41.589)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 2922 ppm1 1.610 ppm2 4.773 volume 0.1652 assi ((( attr rmsd < 1.592) and (attr rmsd > 1.492)) and bondedto(attr rmsd < 42.582 and attr rmsd > 41.582)) ( attr rmsd < 4.480 and attr rmsd > 4.380) 6 6 0 peak 2923 ppm1 1.542 ppm2 4.430 volume 0.3919 assi ((( attr rmsd < 1.597) and (attr rmsd > 1.497)) and bondedto(attr rmsd < 42.642 and attr rmsd > 41.642)) ( attr rmsd < 0.939 and attr rmsd > 0.839) 6 6 0 peak 2924 ppm1 1.547 ppm2 0.889 volume 1.3859 assi ((( attr rmsd < 1.576) and (attr rmsd > 1.476)) and bondedto(attr rmsd < 42.626 and attr rmsd > 41.626)) ( attr rmsd < 1.682 and attr rmsd > 1.582) 6 6 0 peak 2925 ppm1 1.526 ppm2 1.632 volume 6.4464 assi ((( attr rmsd < 0.593) and (attr rmsd > 0.493)) and bondedto(attr rmsd < 42.545 and attr rmsd > 41.545)) ( attr rmsd < 0.596 and attr rmsd > 0.496) 6 6 0 peak 2926 ppm1 0.543 ppm2 0.546 volume 0.7528 assi ((( attr rmsd < 6.516) and (attr rmsd > 6.416)) and bondedto(attr rmsd < 66.170 and attr rmsd > 65.170)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 12927 ppm1 6.466 ppm2 4.773 volume 0.1533 assi ((( attr rmsd < 6.516) and (attr rmsd > 6.416)) and bondedto(attr rmsd < 18.650 and attr rmsd > 17.650)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 22927 ppm1 6.466 ppm2 4.773 volume 0.1533 assi ((( attr rmsd < 6.392) and (attr rmsd > 6.292)) and bondedto(attr rmsd < 66.150 and attr rmsd > 65.150)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 12928 ppm1 6.342 ppm2 4.771 volume 0.1560 assi ((( attr rmsd < 6.392) and (attr rmsd > 6.292)) and bondedto(attr rmsd < 18.630 and attr rmsd > 17.630)) ( attr rmsd < 4.821 and attr rmsd > 4.721) 6 6 0 peak 22928 ppm1 6.342 ppm2 4.771 volume 0.1560 assi ((( attr rmsd < 5.389) and (attr rmsd > 5.289)) and bondedto(attr rmsd < 66.081 and attr rmsd > 65.081)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 12929 ppm1 5.339 ppm2 4.775 volume 0.1644 assi ((( attr rmsd < 5.389) and (attr rmsd > 5.289)) and bondedto(attr rmsd < 18.561 and attr rmsd > 17.561)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 22929 ppm1 5.339 ppm2 4.775 volume 0.1644 assi ((( attr rmsd < 5.150) and (attr rmsd > 5.050)) and bondedto(attr rmsd < 66.183 and attr rmsd > 65.183)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 12930 ppm1 5.100 ppm2 4.777 volume 0.1804 assi ((( attr rmsd < 5.150) and (attr rmsd > 5.050)) and bondedto(attr rmsd < 18.663 and attr rmsd > 17.663)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 22930 ppm1 5.100 ppm2 4.777 volume 0.1804 assi ((( attr rmsd < 5.020) and (attr rmsd > 4.920)) and bondedto(attr rmsd < 66.157 and attr rmsd > 65.157)) ( attr rmsd < 4.219 and attr rmsd > 4.119) 6 6 0 peak 12931 ppm1 4.970 ppm2 4.169 volume 0.1671 assi ((( attr rmsd < 5.020) and (attr rmsd > 4.920)) and bondedto(attr rmsd < 18.637 and attr rmsd > 17.637)) ( attr rmsd < 4.219 and attr rmsd > 4.119) 6 6 0 peak 22931 ppm1 4.970 ppm2 4.169 volume 0.1671 assi ((( attr rmsd < 4.972) and (attr rmsd > 4.872)) and bondedto(attr rmsd < 66.193 and attr rmsd > 65.193)) ( attr rmsd < 4.200 and attr rmsd > 4.100) 6 6 0 peak 12932 ppm1 4.922 ppm2 4.150 volume 0.2109 assi ((( attr rmsd < 4.972) and (attr rmsd > 4.872)) and bondedto(attr rmsd < 18.673 and attr rmsd > 17.673)) ( attr rmsd < 4.200 and attr rmsd > 4.100) 6 6 0 peak 22932 ppm1 4.922 ppm2 4.150 volume 0.2109 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 66.200 and attr rmsd > 65.200)) ( attr rmsd < 4.207 and attr rmsd > 4.107) 6 6 0 peak 12933 ppm1 4.851 ppm2 4.157 volume 0.4435 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 18.680 and attr rmsd > 17.680)) ( attr rmsd < 4.207 and attr rmsd > 4.107) 6 6 0 peak 22933 ppm1 4.851 ppm2 4.157 volume 0.4435 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 66.091 and attr rmsd > 65.091)) ( attr rmsd < 1.791 and attr rmsd > 1.691) 6 6 0 peak 12934 ppm1 4.848 ppm2 1.741 volume 0.1980 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 18.571 and attr rmsd > 17.571)) ( attr rmsd < 1.791 and attr rmsd > 1.691) 6 6 0 peak 22934 ppm1 4.848 ppm2 1.741 volume 0.1980 assi ((( attr rmsd < 4.889) and (attr rmsd > 4.789)) and bondedto(attr rmsd < 66.151 and attr rmsd > 65.151)) ( attr rmsd < 2.854 and attr rmsd > 2.754) 6 6 0 peak 12935 ppm1 4.839 ppm2 2.804 volume 0.2090 assi ((( attr rmsd < 4.889) and (attr rmsd > 4.789)) and bondedto(attr rmsd < 18.631 and attr rmsd > 17.631)) ( attr rmsd < 2.854 and attr rmsd > 2.754) 6 6 0 peak 22935 ppm1 4.839 ppm2 2.804 volume 0.2090 assi ((( attr rmsd < 4.832) and (attr rmsd > 4.732)) and bondedto(attr rmsd < 66.145 and attr rmsd > 65.145)) ( attr rmsd < 4.204 and attr rmsd > 4.104) 6 6 0 peak 12936 ppm1 4.782 ppm2 4.154 volume 0.2186 assi ((( attr rmsd < 4.832) and (attr rmsd > 4.732)) and bondedto(attr rmsd < 18.625 and attr rmsd > 17.625)) ( attr rmsd < 4.204 and attr rmsd > 4.104) 6 6 0 peak 22936 ppm1 4.782 ppm2 4.154 volume 0.2186 assi ((( attr rmsd < 4.764) and (attr rmsd > 4.664)) and bondedto(attr rmsd < 66.187 and attr rmsd > 65.187)) ( attr rmsd < 4.205 and attr rmsd > 4.105) 6 6 0 peak 12937 ppm1 4.714 ppm2 4.155 volume 0.3435 assi ((( attr rmsd < 4.764) and (attr rmsd > 4.664)) and bondedto(attr rmsd < 18.667 and attr rmsd > 17.667)) ( attr rmsd < 4.205 and attr rmsd > 4.105) 6 6 0 peak 22937 ppm1 4.714 ppm2 4.155 volume 0.3435 assi ((( attr rmsd < 4.755) and (attr rmsd > 4.655)) and bondedto(attr rmsd < 66.171 and attr rmsd > 65.171)) ( attr rmsd < 2.857 and attr rmsd > 2.757) 6 6 0 peak 12938 ppm1 4.705 ppm2 2.807 volume 0.1631 assi ((( attr rmsd < 4.755) and (attr rmsd > 4.655)) and bondedto(attr rmsd < 18.651 and attr rmsd > 17.651)) ( attr rmsd < 2.857 and attr rmsd > 2.757) 6 6 0 peak 22938 ppm1 4.705 ppm2 2.807 volume 0.1631 assi ((( attr rmsd < 4.220) and (attr rmsd > 4.120)) and bondedto(attr rmsd < 66.163 and attr rmsd > 65.163)) ( attr rmsd < 4.225 and attr rmsd > 4.125) 6 6 0 peak 12939 ppm1 4.170 ppm2 4.175 volume 4.0568 assi ((( attr rmsd < 4.220) and (attr rmsd > 4.120)) and bondedto(attr rmsd < 18.643 and attr rmsd > 17.643)) ( attr rmsd < 4.225 and attr rmsd > 4.125) 6 6 0 peak 22939 ppm1 4.170 ppm2 4.175 volume 4.0568 assi ((( attr rmsd < 4.215) and (attr rmsd > 4.115)) and bondedto(attr rmsd < 66.150 and attr rmsd > 65.150)) ( attr rmsd < 2.484 and attr rmsd > 2.384) 6 6 0 peak 12940 ppm1 4.165 ppm2 2.434 volume 0.8433 assi ((( attr rmsd < 4.215) and (attr rmsd > 4.115)) and bondedto(attr rmsd < 18.630 and attr rmsd > 17.630)) ( attr rmsd < 2.484 and attr rmsd > 2.384) 6 6 0 peak 22940 ppm1 4.165 ppm2 2.434 volume 0.8433 assi ((( attr rmsd < 4.215) and (attr rmsd > 4.115)) and bondedto(attr rmsd < 66.156 and attr rmsd > 65.156)) ( attr rmsd < 2.168 and attr rmsd > 2.068) 6 6 0 peak 12941 ppm1 4.165 ppm2 2.118 volume 0.3504 assi ((( attr rmsd < 4.215) and (attr rmsd > 4.115)) and bondedto(attr rmsd < 18.636 and attr rmsd > 17.636)) ( attr rmsd < 2.168 and attr rmsd > 2.068) 6 6 0 peak 22941 ppm1 4.165 ppm2 2.118 volume 0.3504 assi ((( attr rmsd < 4.215) and (attr rmsd > 4.115)) and bondedto(attr rmsd < 66.173 and attr rmsd > 65.173)) ( attr rmsd < 2.040 and attr rmsd > 1.940) 6 6 0 peak 12942 ppm1 4.165 ppm2 1.990 volume 0.4973 assi ((( attr rmsd < 4.215) and (attr rmsd > 4.115)) and bondedto(attr rmsd < 18.653 and attr rmsd > 17.653)) ( attr rmsd < 2.040 and attr rmsd > 1.940) 6 6 0 peak 22942 ppm1 4.165 ppm2 1.990 volume 0.4973 assi ((( attr rmsd < 4.218) and (attr rmsd > 4.118)) and bondedto(attr rmsd < 66.167 and attr rmsd > 65.167)) ( attr rmsd < 1.831 and attr rmsd > 1.731) 6 6 0 peak 12943 ppm1 4.168 ppm2 1.781 volume 0.5457 assi ((( attr rmsd < 4.218) and (attr rmsd > 4.118)) and bondedto(attr rmsd < 18.647 and attr rmsd > 17.647)) ( attr rmsd < 1.831 and attr rmsd > 1.731) 6 6 0 peak 22943 ppm1 4.168 ppm2 1.781 volume 0.5457 assi ((( attr rmsd < 4.150) and (attr rmsd > 4.050)) and bondedto(attr rmsd < 66.225 and attr rmsd > 65.225)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 12944 ppm1 4.100 ppm2 4.104 volume 3.4650 assi ((( attr rmsd < 4.150) and (attr rmsd > 4.050)) and bondedto(attr rmsd < 18.705 and attr rmsd > 17.705)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 22944 ppm1 4.100 ppm2 4.104 volume 3.4650 assi ((( attr rmsd < 4.148) and (attr rmsd > 4.048)) and bondedto(attr rmsd < 66.223 and attr rmsd > 65.223)) ( attr rmsd < 2.087 and attr rmsd > 1.987) 6 6 0 peak 12945 ppm1 4.098 ppm2 2.037 volume 0.5675 assi ((( attr rmsd < 4.148) and (attr rmsd > 4.048)) and bondedto(attr rmsd < 18.703 and attr rmsd > 17.703)) ( attr rmsd < 2.087 and attr rmsd > 1.987) 6 6 0 peak 22945 ppm1 4.098 ppm2 2.037 volume 0.5675 assi ((( attr rmsd < 4.151) and (attr rmsd > 4.051)) and bondedto(attr rmsd < 66.220 and attr rmsd > 65.220)) ( attr rmsd < 1.804 and attr rmsd > 1.704) 6 6 0 peak 12946 ppm1 4.101 ppm2 1.754 volume 0.3404 assi ((( attr rmsd < 4.151) and (attr rmsd > 4.051)) and bondedto(attr rmsd < 18.700 and attr rmsd > 17.700)) ( attr rmsd < 1.804 and attr rmsd > 1.704) 6 6 0 peak 22946 ppm1 4.101 ppm2 1.754 volume 0.3404 assi ((( attr rmsd < 4.148) and (attr rmsd > 4.048)) and bondedto(attr rmsd < 66.224 and attr rmsd > 65.224)) ( attr rmsd < 0.849 and attr rmsd > 0.749) 6 6 0 peak 12947 ppm1 4.098 ppm2 0.799 volume 0.4903 assi ((( attr rmsd < 4.148) and (attr rmsd > 4.048)) and bondedto(attr rmsd < 18.704 and attr rmsd > 17.704)) ( attr rmsd < 0.849 and attr rmsd > 0.749) 6 6 0 peak 22947 ppm1 4.098 ppm2 0.799 volume 0.4903 assi ((( attr rmsd < 3.623) and (attr rmsd > 3.523)) and bondedto(attr rmsd < 66.209 and attr rmsd > 65.209)) ( attr rmsd < 1.805 and attr rmsd > 1.705) 6 6 0 peak 12948 ppm1 3.573 ppm2 1.755 volume 0.4184 assi ((( attr rmsd < 3.623) and (attr rmsd > 3.523)) and bondedto(attr rmsd < 18.689 and attr rmsd > 17.689)) ( attr rmsd < 1.805 and attr rmsd > 1.705) 6 6 0 peak 22948 ppm1 3.573 ppm2 1.755 volume 0.4184 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 66.205 and attr rmsd > 65.205)) ( attr rmsd < 1.593 and attr rmsd > 1.493) 6 6 0 peak 12949 ppm1 3.580 ppm2 1.543 volume 0.3276 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 18.685 and attr rmsd > 17.685)) ( attr rmsd < 1.593 and attr rmsd > 1.493) 6 6 0 peak 22949 ppm1 3.580 ppm2 1.543 volume 0.3276 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 66.184 and attr rmsd > 65.184)) ( attr rmsd < 0.424 and attr rmsd > 0.324) 6 6 0 peak 12950 ppm1 3.580 ppm2 0.374 volume 0.4826 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 18.664 and attr rmsd > 17.664)) ( attr rmsd < 0.424 and attr rmsd > 0.324) 6 6 0 peak 22950 ppm1 3.580 ppm2 0.374 volume 0.4826 assi ((( attr rmsd < 3.393) and (attr rmsd > 3.293)) and bondedto(attr rmsd < 66.211 and attr rmsd > 65.211)) ( attr rmsd < 3.056 and attr rmsd > 2.956) 6 6 0 peak 12951 ppm1 3.343 ppm2 3.006 volume 0.1546 assi ((( attr rmsd < 3.393) and (attr rmsd > 3.293)) and bondedto(attr rmsd < 18.691 and attr rmsd > 17.691)) ( attr rmsd < 3.056 and attr rmsd > 2.956) 6 6 0 peak 22951 ppm1 3.343 ppm2 3.006 volume 0.1546 assi ((( attr rmsd < 3.345) and (attr rmsd > 3.245)) and bondedto(attr rmsd < 66.117 and attr rmsd > 65.117)) ( attr rmsd < 3.347 and attr rmsd > 3.247) 6 6 0 peak 12952 ppm1 3.295 ppm2 3.297 volume 0.5934 assi ((( attr rmsd < 3.345) and (attr rmsd > 3.245)) and bondedto(attr rmsd < 18.597 and attr rmsd > 17.597)) ( attr rmsd < 3.347 and attr rmsd > 3.247) 6 6 0 peak 22952 ppm1 3.295 ppm2 3.297 volume 0.5934 assi ((( attr rmsd < 3.054) and (attr rmsd > 2.954)) and bondedto(attr rmsd < 66.164 and attr rmsd > 65.164)) ( attr rmsd < 1.652 and attr rmsd > 1.552) 6 6 0 peak 12953 ppm1 3.004 ppm2 1.602 volume 0.7539 assi ((( attr rmsd < 3.054) and (attr rmsd > 2.954)) and bondedto(attr rmsd < 18.644 and attr rmsd > 17.644)) ( attr rmsd < 1.652 and attr rmsd > 1.552) 6 6 0 peak 22953 ppm1 3.004 ppm2 1.602 volume 0.7539 assi ((( attr rmsd < 3.041) and (attr rmsd > 2.941)) and bondedto(attr rmsd < 66.213 and attr rmsd > 65.213)) ( attr rmsd < 3.151 and attr rmsd > 3.051) 6 6 0 peak 12954 ppm1 2.991 ppm2 3.101 volume 6.5106 assi ((( attr rmsd < 3.041) and (attr rmsd > 2.941)) and bondedto(attr rmsd < 18.693 and attr rmsd > 17.693)) ( attr rmsd < 3.151 and attr rmsd > 3.051) 6 6 0 peak 22954 ppm1 2.991 ppm2 3.101 volume 6.5106 assi ((( attr rmsd < 2.857) and (attr rmsd > 2.757)) and bondedto(attr rmsd < 66.101 and attr rmsd > 65.101)) ( attr rmsd < 2.698 and attr rmsd > 2.598) 6 6 0 peak 12955 ppm1 2.807 ppm2 2.648 volume 0.2910 assi ((( attr rmsd < 2.857) and (attr rmsd > 2.757)) and bondedto(attr rmsd < 18.581 and attr rmsd > 17.581)) ( attr rmsd < 2.698 and attr rmsd > 2.598) 6 6 0 peak 22955 ppm1 2.807 ppm2 2.648 volume 0.2910 assi ((( attr rmsd < 1.673) and (attr rmsd > 1.573)) and bondedto(attr rmsd < 66.213 and attr rmsd > 65.213)) ( attr rmsd < 3.059 and attr rmsd > 2.959) 6 6 0 peak 12956 ppm1 1.623 ppm2 3.009 volume 1.5896 assi ((( attr rmsd < 1.673) and (attr rmsd > 1.573)) and bondedto(attr rmsd < 18.693 and attr rmsd > 17.693)) ( attr rmsd < 3.059 and attr rmsd > 2.959) 6 6 0 peak 22956 ppm1 1.623 ppm2 3.009 volume 1.5896 assi ((( attr rmsd < 1.511) and (attr rmsd > 1.411)) and bondedto(attr rmsd < 66.097 and attr rmsd > 65.097)) ( attr rmsd < 3.889 and attr rmsd > 3.789) 6 6 0 peak 12957 ppm1 1.461 ppm2 3.839 volume 1.4461 assi ((( attr rmsd < 1.511) and (attr rmsd > 1.411)) and bondedto(attr rmsd < 18.577 and attr rmsd > 17.577)) ( attr rmsd < 3.889 and attr rmsd > 3.789) 6 6 0 peak 22957 ppm1 1.461 ppm2 3.839 volume 1.4461 assi ((( attr rmsd < 1.516) and (attr rmsd > 1.416)) and bondedto(attr rmsd < 66.062 and attr rmsd > 65.062)) ( attr rmsd < 2.242 and attr rmsd > 2.142) 6 6 0 peak 12958 ppm1 1.466 ppm2 2.192 volume 0.1804 assi ((( attr rmsd < 1.516) and (attr rmsd > 1.416)) and bondedto(attr rmsd < 18.542 and attr rmsd > 17.542)) ( attr rmsd < 2.242 and attr rmsd > 2.142) 6 6 0 peak 22958 ppm1 1.466 ppm2 2.192 volume 0.1804 assi ((( attr rmsd < 1.511) and (attr rmsd > 1.411)) and bondedto(attr rmsd < 66.080 and attr rmsd > 65.080)) ( attr rmsd < 1.939 and attr rmsd > 1.839) 6 6 0 peak 12959 ppm1 1.461 ppm2 1.889 volume 0.5995 assi ((( attr rmsd < 1.511) and (attr rmsd > 1.411)) and bondedto(attr rmsd < 18.560 and attr rmsd > 17.560)) ( attr rmsd < 1.939 and attr rmsd > 1.839) 6 6 0 peak 22959 ppm1 1.461 ppm2 1.889 volume 0.5995 assi ((( attr rmsd < 1.513) and (attr rmsd > 1.413)) and bondedto(attr rmsd < 66.103 and attr rmsd > 65.103)) ( attr rmsd < 1.791 and attr rmsd > 1.691) 6 6 0 peak 12960 ppm1 1.463 ppm2 1.741 volume 0.7874 assi ((( attr rmsd < 1.513) and (attr rmsd > 1.413)) and bondedto(attr rmsd < 18.583 and attr rmsd > 17.583)) ( attr rmsd < 1.791 and attr rmsd > 1.691) 6 6 0 peak 22960 ppm1 1.463 ppm2 1.741 volume 0.7874 assi ((( attr rmsd < 1.510) and (attr rmsd > 1.410)) and bondedto(attr rmsd < 66.099 and attr rmsd > 65.099)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 12961 ppm1 1.460 ppm2 0.843 volume 0.9208 assi ((( attr rmsd < 1.510) and (attr rmsd > 1.410)) and bondedto(attr rmsd < 18.579 and attr rmsd > 17.579)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 22961 ppm1 1.460 ppm2 0.843 volume 0.9208 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 66.201 and attr rmsd > 65.201)) ( attr rmsd < 1.778 and attr rmsd > 1.678) 6 6 0 peak 12962 ppm1 0.849 ppm2 1.728 volume 1.4271 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 18.681 and attr rmsd > 17.681)) ( attr rmsd < 1.778 and attr rmsd > 1.678) 6 6 0 peak 22962 ppm1 0.849 ppm2 1.728 volume 1.4271 assi ((( attr rmsd < 4.682) and (attr rmsd > 4.582)) and bondedto(attr rmsd < 42.431 and attr rmsd > 41.431)) ( attr rmsd < 2.585 and attr rmsd > 2.485) 6 6 0 peak 2963 ppm1 4.632 ppm2 2.535 volume 0.2060 assi ((( attr rmsd < 4.590) and (attr rmsd > 4.490)) and bondedto(attr rmsd < 42.306 and attr rmsd > 41.306)) ( attr rmsd < 4.590 and attr rmsd > 4.490) 6 6 0 peak 2964 ppm1 4.540 ppm2 4.540 volume 0.2058 assi ((( attr rmsd < 4.413) and (attr rmsd > 4.313)) and bondedto(attr rmsd < 42.439 and attr rmsd > 41.439)) ( attr rmsd < 1.556 and attr rmsd > 1.456) 6 6 0 peak 2965 ppm1 4.363 ppm2 1.506 volume 0.2468 assi ((( attr rmsd < 2.976) and (attr rmsd > 2.876)) and bondedto(attr rmsd < 42.399 and attr rmsd > 41.399)) ( attr rmsd < 1.693 and attr rmsd > 1.593) 6 6 0 peak 2966 ppm1 2.926 ppm2 1.643 volume 0.6867 assi ((( attr rmsd < 2.953) and (attr rmsd > 2.853)) and bondedto(attr rmsd < 42.340 and attr rmsd > 41.340)) ( attr rmsd < 0.795 and attr rmsd > 0.695) 6 6 0 peak 2967 ppm1 2.903 ppm2 0.745 volume 0.3255 assi ((( attr rmsd < 2.856) and (attr rmsd > 2.756)) and bondedto(attr rmsd < 42.446 and attr rmsd > 41.446)) ( attr rmsd < 4.690 and attr rmsd > 4.590) 6 6 0 peak 2968 ppm1 2.806 ppm2 4.640 volume 0.5568 assi ((( attr rmsd < 2.857) and (attr rmsd > 2.757)) and bondedto(attr rmsd < 42.355 and attr rmsd > 41.355)) ( attr rmsd < 1.791 and attr rmsd > 1.691) 6 6 0 peak 2969 ppm1 2.807 ppm2 1.741 volume 0.2120 assi ((( attr rmsd < 2.853) and (attr rmsd > 2.753)) and bondedto(attr rmsd < 42.337 and attr rmsd > 41.337)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 2970 ppm1 2.803 ppm2 4.774 volume 0.6621 assi ((( attr rmsd < 2.853) and (attr rmsd > 2.753)) and bondedto(attr rmsd < 42.386 and attr rmsd > 41.386)) ( attr rmsd < 2.852 and attr rmsd > 2.752) 6 6 0 peak 2971 ppm1 2.803 ppm2 2.802 volume 6.2201 assi ((( attr rmsd < 2.850) and (attr rmsd > 2.750)) and bondedto(attr rmsd < 42.440 and attr rmsd > 41.440)) ( attr rmsd < 2.590 and attr rmsd > 2.490) 6 6 0 peak 2972 ppm1 2.800 ppm2 2.540 volume 2.7813 assi ((( attr rmsd < 2.793) and (attr rmsd > 2.693)) and bondedto(attr rmsd < 42.333 and attr rmsd > 41.333)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 2973 ppm1 2.743 ppm2 4.775 volume 0.6458 assi ((( attr rmsd < 2.804) and (attr rmsd > 2.704)) and bondedto(attr rmsd < 42.344 and attr rmsd > 41.344)) ( attr rmsd < 1.792 and attr rmsd > 1.692) 6 6 0 peak 2974 ppm1 2.754 ppm2 1.742 volume 0.1656 assi ((( attr rmsd < 2.789) and (attr rmsd > 2.689)) and bondedto(attr rmsd < 42.287 and attr rmsd > 41.287)) ( attr rmsd < 0.633 and attr rmsd > 0.533) 6 6 0 peak 2975 ppm1 2.739 ppm2 0.583 volume 0.1683 assi ((( attr rmsd < 2.590) and (attr rmsd > 2.490)) and bondedto(attr rmsd < 42.446 and attr rmsd > 41.446)) ( attr rmsd < 4.691 and attr rmsd > 4.591) 6 6 0 peak 2976 ppm1 2.540 ppm2 4.641 volume 0.4743 assi ((( attr rmsd < 2.588) and (attr rmsd > 2.488)) and bondedto(attr rmsd < 42.443 and attr rmsd > 41.443)) ( attr rmsd < 2.859 and attr rmsd > 2.759) 6 6 0 peak 2977 ppm1 2.538 ppm2 2.809 volume 2.9324 assi ((( attr rmsd < 2.586) and (attr rmsd > 2.486)) and bondedto(attr rmsd < 42.441 and attr rmsd > 41.441)) ( attr rmsd < 2.590 and attr rmsd > 2.490) 6 6 0 peak 2978 ppm1 2.536 ppm2 2.540 volume 3.4092 assi ((( attr rmsd < 2.491) and (attr rmsd > 2.391)) and bondedto(attr rmsd < 42.334 and attr rmsd > 41.334)) ( attr rmsd < 0.778 and attr rmsd > 0.678) 6 6 0 peak 2979 ppm1 2.441 ppm2 0.728 volume 0.2364 assi ((( attr rmsd < 1.761) and (attr rmsd > 1.661)) and bondedto(attr rmsd < 42.426 and attr rmsd > 41.426)) ( attr rmsd < 4.815 and attr rmsd > 4.715) 6 6 0 peak 2980 ppm1 1.711 ppm2 4.765 volume 0.1703 assi ((( attr rmsd < 1.751) and (attr rmsd > 1.651)) and bondedto(attr rmsd < 42.413 and attr rmsd > 41.413)) ( attr rmsd < 1.749 and attr rmsd > 1.649) 6 6 0 peak 2981 ppm1 1.701 ppm2 1.699 volume 5.1890 assi ((( attr rmsd < 1.742) and (attr rmsd > 1.642)) and bondedto(attr rmsd < 42.336 and attr rmsd > 41.336)) ( attr rmsd < 0.920 and attr rmsd > 0.820) 6 6 0 peak 2982 ppm1 1.692 ppm2 0.870 volume 0.7696 assi ((( attr rmsd < 0.259) and (attr rmsd > 0.159)) and bondedto(attr rmsd < 42.391 and attr rmsd > 41.391)) ( attr rmsd < 0.265 and attr rmsd > 0.165) 6 6 0 peak 2983 ppm1 0.209 ppm2 0.215 volume 0.4898 assi ((( attr rmsd < 4.851) and (attr rmsd > 4.751)) and bondedto(attr rmsd < 66.015 and attr rmsd > 65.015)) ( attr rmsd < 1.577 and attr rmsd > 1.477) 6 6 0 peak 12984 ppm1 4.801 ppm2 1.527 volume 0.1460 assi ((( attr rmsd < 4.851) and (attr rmsd > 4.751)) and bondedto(attr rmsd < 18.495 and attr rmsd > 17.495)) ( attr rmsd < 1.577 and attr rmsd > 1.477) 6 6 0 peak 22984 ppm1 4.801 ppm2 1.527 volume 0.1460 assi ((( attr rmsd < 4.118) and (attr rmsd > 4.018)) and bondedto(attr rmsd < 65.894 and attr rmsd > 64.894)) ( attr rmsd < 1.568 and attr rmsd > 1.468) 6 6 0 peak 12985 ppm1 4.068 ppm2 1.518 volume 0.3544 assi ((( attr rmsd < 4.118) and (attr rmsd > 4.018)) and bondedto(attr rmsd < 18.374 and attr rmsd > 17.374)) ( attr rmsd < 1.568 and attr rmsd > 1.468) 6 6 0 peak 22985 ppm1 4.068 ppm2 1.518 volume 0.3544 assi ((( attr rmsd < 3.879) and (attr rmsd > 3.779)) and bondedto(attr rmsd < 66.038 and attr rmsd > 65.038)) ( attr rmsd < 1.495 and attr rmsd > 1.395) 6 6 0 peak 12986 ppm1 3.829 ppm2 1.445 volume 0.1526 assi ((( attr rmsd < 3.879) and (attr rmsd > 3.779)) and bondedto(attr rmsd < 18.518 and attr rmsd > 17.518)) ( attr rmsd < 1.495 and attr rmsd > 1.395) 6 6 0 peak 22986 ppm1 3.829 ppm2 1.445 volume 0.1526 assi ((( attr rmsd < 2.585) and (attr rmsd > 2.485)) and bondedto(attr rmsd < 66.041 and attr rmsd > 65.041)) ( attr rmsd < 2.731 and attr rmsd > 2.631) 6 6 0 peak 12987 ppm1 2.535 ppm2 2.681 volume 0.1720 assi ((( attr rmsd < 2.585) and (attr rmsd > 2.485)) and bondedto(attr rmsd < 18.521 and attr rmsd > 17.521)) ( attr rmsd < 2.731 and attr rmsd > 2.631) 6 6 0 peak 22987 ppm1 2.535 ppm2 2.681 volume 0.1720 assi ((( attr rmsd < 1.554) and (attr rmsd > 1.454)) and bondedto(attr rmsd < 65.914 and attr rmsd > 64.914)) ( attr rmsd < 4.120 and attr rmsd > 4.020) 6 6 0 peak 12988 ppm1 1.504 ppm2 4.070 volume 1.7477 assi ((( attr rmsd < 1.554) and (attr rmsd > 1.454)) and bondedto(attr rmsd < 18.394 and attr rmsd > 17.394)) ( attr rmsd < 4.120 and attr rmsd > 4.020) 6 6 0 peak 22988 ppm1 1.504 ppm2 4.070 volume 1.7477 assi ((( attr rmsd < 1.556) and (attr rmsd > 1.456)) and bondedto(attr rmsd < 65.919 and attr rmsd > 64.919)) ( attr rmsd < 1.563 and attr rmsd > 1.463) 6 6 0 peak 12989 ppm1 1.506 ppm2 1.513 volume 38.9535 assi ((( attr rmsd < 1.556) and (attr rmsd > 1.456)) and bondedto(attr rmsd < 18.399 and attr rmsd > 17.399)) ( attr rmsd < 1.563 and attr rmsd > 1.463) 6 6 0 peak 22989 ppm1 1.506 ppm2 1.513 volume 38.9535 assi ((( attr rmsd < 1.129) and (attr rmsd > 1.029)) and bondedto(attr rmsd < 65.889 and attr rmsd > 64.889)) ( attr rmsd < 1.569 and attr rmsd > 1.469) 6 6 0 peak 12990 ppm1 1.079 ppm2 1.519 volume 0.1763 assi ((( attr rmsd < 1.129) and (attr rmsd > 1.029)) and bondedto(attr rmsd < 18.369 and attr rmsd > 17.369)) ( attr rmsd < 1.569 and attr rmsd > 1.469) 6 6 0 peak 22990 ppm1 1.079 ppm2 1.519 volume 0.1763 assi ((( attr rmsd < 1.127) and (attr rmsd > 1.027)) and bondedto(attr rmsd < 66.002 and attr rmsd > 65.002)) ( attr rmsd < 1.123 and attr rmsd > 1.023) 6 6 0 peak 12991 ppm1 1.077 ppm2 1.073 volume 0.1722 assi ((( attr rmsd < 1.127) and (attr rmsd > 1.027)) and bondedto(attr rmsd < 18.482 and attr rmsd > 17.482)) ( attr rmsd < 1.123 and attr rmsd > 1.023) 6 6 0 peak 22991 ppm1 1.077 ppm2 1.073 volume 0.1722 assi ((( attr rmsd < 4.881) and (attr rmsd > 4.781)) and bondedto(attr rmsd < 42.206 and attr rmsd > 41.206)) ( attr rmsd < 1.534 and attr rmsd > 1.434) 6 6 0 peak 2992 ppm1 4.831 ppm2 1.484 volume 0.3290 assi ((( attr rmsd < 4.742) and (attr rmsd > 4.642)) and bondedto(attr rmsd < 42.216 and attr rmsd > 41.216)) ( attr rmsd < 1.542 and attr rmsd > 1.442) 6 6 0 peak 2993 ppm1 4.692 ppm2 1.492 volume 0.6504 assi ((( attr rmsd < 3.038) and (attr rmsd > 2.938)) and bondedto(attr rmsd < 42.200 and attr rmsd > 41.200)) ( attr rmsd < 4.223 and attr rmsd > 4.123) 6 6 0 peak 2994 ppm1 2.988 ppm2 4.173 volume 0.3481 assi ((( attr rmsd < 3.034) and (attr rmsd > 2.934)) and bondedto(attr rmsd < 42.167 and attr rmsd > 41.167)) ( attr rmsd < 4.118 and attr rmsd > 4.018) 6 6 0 peak 2995 ppm1 2.984 ppm2 4.068 volume 0.3873 assi ((( attr rmsd < 2.946) and (attr rmsd > 2.846)) and bondedto(attr rmsd < 42.231 and attr rmsd > 41.231)) ( attr rmsd < 4.694 and attr rmsd > 4.594) 6 6 0 peak 2996 ppm1 2.896 ppm2 4.644 volume 0.2435 assi ((( attr rmsd < 2.855) and (attr rmsd > 2.755)) and bondedto(attr rmsd < 42.227 and attr rmsd > 41.227)) ( attr rmsd < 0.973 and attr rmsd > 0.873) 6 6 0 peak 2997 ppm1 2.805 ppm2 0.923 volume 0.5265 assi ((( attr rmsd < 2.799) and (attr rmsd > 2.699)) and bondedto(attr rmsd < 42.252 and attr rmsd > 41.252)) ( attr rmsd < 1.674 and attr rmsd > 1.574) 6 6 0 peak 2998 ppm1 2.749 ppm2 1.624 volume 0.1580 assi ((( attr rmsd < 2.791) and (attr rmsd > 2.691)) and bondedto(attr rmsd < 42.211 and attr rmsd > 41.211)) ( attr rmsd < 0.972 and attr rmsd > 0.872) 6 6 0 peak 2999 ppm1 2.741 ppm2 0.922 volume 0.5400 assi ((( attr rmsd < 2.488) and (attr rmsd > 2.388)) and bondedto(attr rmsd < 42.179 and attr rmsd > 41.179)) ( attr rmsd < 4.697 and attr rmsd > 4.597) 6 6 0 peak 3000 ppm1 2.438 ppm2 4.647 volume 0.3225 assi ((( attr rmsd < 2.487) and (attr rmsd > 2.387)) and bondedto(attr rmsd < 42.195 and attr rmsd > 41.195)) ( attr rmsd < 2.952 and attr rmsd > 2.852) 6 6 0 peak 3001 ppm1 2.437 ppm2 2.902 volume 0.6018 assi ((( attr rmsd < 2.491) and (attr rmsd > 2.391)) and bondedto(attr rmsd < 42.193 and attr rmsd > 41.193)) ( attr rmsd < 2.497 and attr rmsd > 2.397) 6 6 0 peak 3002 ppm1 2.441 ppm2 2.447 volume 0.6815 assi ((( attr rmsd < 2.435) and (attr rmsd > 2.335)) and bondedto(attr rmsd < 42.149 and attr rmsd > 41.149)) ( attr rmsd < 1.551 and attr rmsd > 1.451) 6 6 0 peak 3003 ppm1 2.385 ppm2 1.501 volume 0.1634 assi ((( attr rmsd < 2.385) and (attr rmsd > 2.285)) and bondedto(attr rmsd < 42.185 and attr rmsd > 41.185)) ( attr rmsd < 1.540 and attr rmsd > 1.440) 6 6 0 peak 3004 ppm1 2.335 ppm2 1.490 volume 0.1731 assi ((( attr rmsd < 1.744) and (attr rmsd > 1.644)) and bondedto(attr rmsd < 42.188 and attr rmsd > 41.188)) ( attr rmsd < 4.625 and attr rmsd > 4.525) 6 6 0 peak 3005 ppm1 1.694 ppm2 4.575 volume 0.4642 assi ((( attr rmsd < 1.743) and (attr rmsd > 1.643)) and bondedto(attr rmsd < 42.146 and attr rmsd > 41.146)) ( attr rmsd < 0.731 and attr rmsd > 0.631) 6 6 0 peak 3006 ppm1 1.693 ppm2 0.681 volume 0.3447 assi ((( attr rmsd < 1.572) and (attr rmsd > 1.472)) and bondedto(attr rmsd < 42.116 and attr rmsd > 41.116)) ( attr rmsd < 1.474 and attr rmsd > 1.374) 6 6 0 peak 3007 ppm1 1.522 ppm2 1.424 volume 2.1432 assi ((( attr rmsd < 1.546) and (attr rmsd > 1.446)) and bondedto(attr rmsd < 42.135 and attr rmsd > 41.135)) ( attr rmsd < 1.440 and attr rmsd > 1.340) 6 6 0 peak 3008 ppm1 1.496 ppm2 1.390 volume 2.6384 assi ((( attr rmsd < 1.546) and (attr rmsd > 1.446)) and bondedto(attr rmsd < 42.114 and attr rmsd > 41.114)) ( attr rmsd < 1.115 and attr rmsd > 1.015) 6 6 0 peak 3009 ppm1 1.496 ppm2 1.065 volume 0.4073 assi ((( attr rmsd < 1.459) and (attr rmsd > 1.359)) and bondedto(attr rmsd < 42.114 and attr rmsd > 41.114)) ( attr rmsd < 1.439 and attr rmsd > 1.339) 6 6 0 peak 3010 ppm1 1.409 ppm2 1.389 volume 0.8205 assi ((( attr rmsd < 1.284) and (attr rmsd > 1.184)) and bondedto(attr rmsd < 42.173 and attr rmsd > 41.173)) ( attr rmsd < 1.289 and attr rmsd > 1.189) 6 6 0 peak 3011 ppm1 1.234 ppm2 1.239 volume 0.1705 assi ((( attr rmsd < 4.838) and (attr rmsd > 4.738)) and bondedto(attr rmsd < 65.836 and attr rmsd > 64.836)) ( attr rmsd < 2.163 and attr rmsd > 2.063) 6 6 0 peak 13012 ppm1 4.788 ppm2 2.113 volume 0.1570 assi ((( attr rmsd < 4.838) and (attr rmsd > 4.738)) and bondedto(attr rmsd < 18.316 and attr rmsd > 17.316)) ( attr rmsd < 2.163 and attr rmsd > 2.063) 6 6 0 peak 23012 ppm1 4.788 ppm2 2.113 volume 0.1570 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 65.844 and attr rmsd > 64.844)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 13013 ppm1 4.713 ppm2 2.112 volume 0.1466 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 18.324 and attr rmsd > 17.324)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 23013 ppm1 4.713 ppm2 2.112 volume 0.1466 assi ((( attr rmsd < 3.265) and (attr rmsd > 3.165)) and bondedto(attr rmsd < 65.812 and attr rmsd > 64.812)) ( attr rmsd < 3.270 and attr rmsd > 3.170) 6 6 0 peak 13014 ppm1 3.215 ppm2 3.220 volume 1.0752 assi ((( attr rmsd < 3.265) and (attr rmsd > 3.165)) and bondedto(attr rmsd < 18.292 and attr rmsd > 17.292)) ( attr rmsd < 3.270 and attr rmsd > 3.170) 6 6 0 peak 23014 ppm1 3.215 ppm2 3.220 volume 1.0752 assi ((( attr rmsd < 2.221) and (attr rmsd > 2.121)) and bondedto(attr rmsd < 65.840 and attr rmsd > 64.840)) ( attr rmsd < 2.159 and attr rmsd > 2.059) 6 6 0 peak 13015 ppm1 2.171 ppm2 2.109 volume 0.4080 assi ((( attr rmsd < 2.221) and (attr rmsd > 2.121)) and bondedto(attr rmsd < 18.320 and attr rmsd > 17.320)) ( attr rmsd < 2.159 and attr rmsd > 2.059) 6 6 0 peak 23015 ppm1 2.171 ppm2 2.109 volume 0.4080 assi ((( attr rmsd < 2.155) and (attr rmsd > 2.055)) and bondedto(attr rmsd < 65.829 and attr rmsd > 64.829)) ( attr rmsd < 1.937 and attr rmsd > 1.837) 6 6 0 peak 13016 ppm1 2.105 ppm2 1.887 volume 0.2485 assi ((( attr rmsd < 2.155) and (attr rmsd > 2.055)) and bondedto(attr rmsd < 18.309 and attr rmsd > 17.309)) ( attr rmsd < 1.937 and attr rmsd > 1.837) 6 6 0 peak 23016 ppm1 2.105 ppm2 1.887 volume 0.2485 assi ((( attr rmsd < 2.151) and (attr rmsd > 2.051)) and bondedto(attr rmsd < 65.826 and attr rmsd > 64.826)) ( attr rmsd < 1.842 and attr rmsd > 1.742) 6 6 0 peak 13017 ppm1 2.101 ppm2 1.792 volume 0.1666 assi ((( attr rmsd < 2.151) and (attr rmsd > 2.051)) and bondedto(attr rmsd < 18.306 and attr rmsd > 17.306)) ( attr rmsd < 1.842 and attr rmsd > 1.742) 6 6 0 peak 23017 ppm1 2.101 ppm2 1.792 volume 0.1666 assi ((( attr rmsd < 1.555) and (attr rmsd > 1.455)) and bondedto(attr rmsd < 65.771 and attr rmsd > 64.771)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13018 ppm1 1.505 ppm2 4.775 volume 0.2953 assi ((( attr rmsd < 1.555) and (attr rmsd > 1.455)) and bondedto(attr rmsd < 18.251 and attr rmsd > 17.251)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23018 ppm1 1.505 ppm2 4.775 volume 0.2953 assi ((( attr rmsd < 0.961) and (attr rmsd > 0.861)) and bondedto(attr rmsd < 65.799 and attr rmsd > 64.799)) ( attr rmsd < 2.144 and attr rmsd > 2.044) 6 6 0 peak 13019 ppm1 0.911 ppm2 2.094 volume 0.1500 assi ((( attr rmsd < 0.961) and (attr rmsd > 0.861)) and bondedto(attr rmsd < 18.279 and attr rmsd > 17.279)) ( attr rmsd < 2.144 and attr rmsd > 2.044) 6 6 0 peak 23019 ppm1 0.911 ppm2 2.094 volume 0.1500 assi ((( attr rmsd < 0.959) and (attr rmsd > 0.859)) and bondedto(attr rmsd < 65.718 and attr rmsd > 64.718)) ( attr rmsd < 2.076 and attr rmsd > 1.976) 6 6 0 peak 13020 ppm1 0.909 ppm2 2.026 volume 0.1794 assi ((( attr rmsd < 0.959) and (attr rmsd > 0.859)) and bondedto(attr rmsd < 18.198 and attr rmsd > 17.198)) ( attr rmsd < 2.076 and attr rmsd > 1.976) 6 6 0 peak 23020 ppm1 0.909 ppm2 2.026 volume 0.1794 assi ((( attr rmsd < 0.890) and (attr rmsd > 0.790)) and bondedto(attr rmsd < 65.730 and attr rmsd > 64.730)) ( attr rmsd < 1.372 and attr rmsd > 1.272) 6 6 0 peak 13021 ppm1 0.840 ppm2 1.322 volume 0.1711 assi ((( attr rmsd < 0.890) and (attr rmsd > 0.790)) and bondedto(attr rmsd < 18.210 and attr rmsd > 17.210)) ( attr rmsd < 1.372 and attr rmsd > 1.272) 6 6 0 peak 23021 ppm1 0.840 ppm2 1.322 volume 0.1711 assi ((( attr rmsd < 0.877) and (attr rmsd > 0.777)) and bondedto(attr rmsd < 65.703 and attr rmsd > 64.703)) ( attr rmsd < 4.805 and attr rmsd > 4.705) 6 6 0 peak 13022 ppm1 0.827 ppm2 4.755 volume 0.4411 assi ((( attr rmsd < 0.877) and (attr rmsd > 0.777)) and bondedto(attr rmsd < 18.183 and attr rmsd > 17.183)) ( attr rmsd < 4.805 and attr rmsd > 4.705) 6 6 0 peak 23022 ppm1 0.827 ppm2 4.755 volume 0.4411 assi ((( attr rmsd < 0.794) and (attr rmsd > 0.694)) and bondedto(attr rmsd < 65.738 and attr rmsd > 64.738)) ( attr rmsd < 0.695 and attr rmsd > 0.595) 6 6 0 peak 13023 ppm1 0.744 ppm2 0.645 volume 0.2752 assi ((( attr rmsd < 0.794) and (attr rmsd > 0.694)) and bondedto(attr rmsd < 18.218 and attr rmsd > 17.218)) ( attr rmsd < 0.695 and attr rmsd > 0.595) 6 6 0 peak 23023 ppm1 0.744 ppm2 0.645 volume 0.2752 assi ((( attr rmsd < 6.514) and (attr rmsd > 6.414)) and bondedto(attr rmsd < 41.910 and attr rmsd > 40.910)) ( attr rmsd < 0.944 and attr rmsd > 0.844) 6 6 0 peak 3024 ppm1 6.464 ppm2 0.894 volume 0.1704 assi ((( attr rmsd < 4.800) and (attr rmsd > 4.700)) and bondedto(attr rmsd < 42.090 and attr rmsd > 41.090)) ( attr rmsd < 1.564 and attr rmsd > 1.464) 6 6 0 peak 3025 ppm1 4.750 ppm2 1.514 volume 0.3048 assi ((( attr rmsd < 4.178) and (attr rmsd > 4.078)) and bondedto(attr rmsd < 42.069 and attr rmsd > 41.069)) ( attr rmsd < 1.562 and attr rmsd > 1.462) 6 6 0 peak 3026 ppm1 4.128 ppm2 1.512 volume 0.2240 assi ((( attr rmsd < 3.724) and (attr rmsd > 3.624)) and bondedto(attr rmsd < 42.058 and attr rmsd > 41.058)) ( attr rmsd < 1.547 and attr rmsd > 1.447) 6 6 0 peak 3027 ppm1 3.674 ppm2 1.497 volume 0.1691 assi ((( attr rmsd < 3.698) and (attr rmsd > 3.598)) and bondedto(attr rmsd < 41.982 and attr rmsd > 40.982)) ( attr rmsd < 3.814 and attr rmsd > 3.714) 6 6 0 peak 3028 ppm1 3.648 ppm2 3.764 volume 0.1473 assi ((( attr rmsd < 3.634) and (attr rmsd > 3.534)) and bondedto(attr rmsd < 41.959 and attr rmsd > 40.959)) ( attr rmsd < 0.158 and attr rmsd > 0.058) 6 6 0 peak 3029 ppm1 3.584 ppm2 0.108 volume 0.1510 assi ((( attr rmsd < 3.257) and (attr rmsd > 3.157)) and bondedto(attr rmsd < 42.006 and attr rmsd > 41.006)) ( attr rmsd < 3.163 and attr rmsd > 3.063) 6 6 0 peak 3030 ppm1 3.207 ppm2 3.113 volume 0.1489 assi ((( attr rmsd < 2.953) and (attr rmsd > 2.853)) and bondedto(attr rmsd < 42.082 and attr rmsd > 41.082)) ( attr rmsd < 2.496 and attr rmsd > 2.396) 6 6 0 peak 3031 ppm1 2.903 ppm2 2.446 volume 0.4876 assi ((( attr rmsd < 2.961) and (attr rmsd > 2.861)) and bondedto(attr rmsd < 41.936 and attr rmsd > 40.936)) ( attr rmsd < 0.951 and attr rmsd > 0.851) 6 6 0 peak 3032 ppm1 2.911 ppm2 0.901 volume 0.4234 assi ((( attr rmsd < 2.487) and (attr rmsd > 2.387)) and bondedto(attr rmsd < 42.043 and attr rmsd > 41.043)) ( attr rmsd < 0.963 and attr rmsd > 0.863) 6 6 0 peak 3033 ppm1 2.437 ppm2 0.913 volume 0.4298 assi ((( attr rmsd < 2.162) and (attr rmsd > 2.062)) and bondedto(attr rmsd < 42.070 and attr rmsd > 41.070)) ( attr rmsd < 2.159 and attr rmsd > 2.059) 6 6 0 peak 3034 ppm1 2.112 ppm2 2.109 volume 10.4911 assi ((( attr rmsd < 1.701) and (attr rmsd > 1.601)) and bondedto(attr rmsd < 41.985 and attr rmsd > 40.985)) ( attr rmsd < 0.861 and attr rmsd > 0.761) 6 6 0 peak 3035 ppm1 1.651 ppm2 0.811 volume 0.5920 assi ((( attr rmsd < 1.553) and (attr rmsd > 1.453)) and bondedto(attr rmsd < 42.093 and attr rmsd > 41.093)) ( attr rmsd < 1.177 and attr rmsd > 1.077) 6 6 0 peak 3036 ppm1 1.503 ppm2 1.127 volume 0.4357 assi ((( attr rmsd < 0.961) and (attr rmsd > 0.861)) and bondedto(attr rmsd < 41.929 and attr rmsd > 40.929)) ( attr rmsd < 1.073 and attr rmsd > 0.973) 6 6 0 peak 3037 ppm1 0.911 ppm2 1.023 volume 0.8331 assi ((( attr rmsd < 0.803) and (attr rmsd > 0.703)) and bondedto(attr rmsd < 42.002 and attr rmsd > 41.002)) ( attr rmsd < 0.808 and attr rmsd > 0.708) 6 6 0 peak 3038 ppm1 0.753 ppm2 0.758 volume 2.2722 assi ((( attr rmsd < 0.629) and (attr rmsd > 0.529)) and bondedto(attr rmsd < 41.921 and attr rmsd > 40.921)) ( attr rmsd < 0.951 and attr rmsd > 0.851) 6 6 0 peak 3039 ppm1 0.579 ppm2 0.901 volume 0.1560 assi ((( attr rmsd < 0.573) and (attr rmsd > 0.473)) and bondedto(attr rmsd < 41.968 and attr rmsd > 40.968)) ( attr rmsd < 0.937 and attr rmsd > 0.837) 6 6 0 peak 3040 ppm1 0.523 ppm2 0.887 volume 0.1558 assi ((( attr rmsd < 4.941) and (attr rmsd > 4.841)) and bondedto(attr rmsd < 65.649 and attr rmsd > 64.649)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 13041 ppm1 4.891 ppm2 0.893 volume 0.4241 assi ((( attr rmsd < 4.941) and (attr rmsd > 4.841)) and bondedto(attr rmsd < 18.129 and attr rmsd > 17.129)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 23041 ppm1 4.891 ppm2 0.893 volume 0.4241 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 65.648 and attr rmsd > 64.648)) ( attr rmsd < 0.942 and attr rmsd > 0.842) 6 6 0 peak 13042 ppm1 4.856 ppm2 0.892 volume 0.6359 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 18.128 and attr rmsd > 17.128)) ( attr rmsd < 0.942 and attr rmsd > 0.842) 6 6 0 peak 23042 ppm1 4.856 ppm2 0.892 volume 0.6359 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 65.562 and attr rmsd > 64.562)) ( attr rmsd < 3.716 and attr rmsd > 3.616) 6 6 0 peak 13043 ppm1 4.836 ppm2 3.666 volume 0.7362 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 18.042 and attr rmsd > 17.042)) ( attr rmsd < 3.716 and attr rmsd > 3.616) 6 6 0 peak 23043 ppm1 4.836 ppm2 3.666 volume 0.7362 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 65.593 and attr rmsd > 64.593)) ( attr rmsd < 3.658 and attr rmsd > 3.558) 6 6 0 peak 13044 ppm1 4.835 ppm2 3.608 volume 0.6406 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 18.073 and attr rmsd > 17.073)) ( attr rmsd < 3.658 and attr rmsd > 3.558) 6 6 0 peak 23044 ppm1 4.835 ppm2 3.608 volume 0.6406 assi ((( attr rmsd < 4.835) and (attr rmsd > 4.735)) and bondedto(attr rmsd < 65.594 and attr rmsd > 64.594)) ( attr rmsd < 3.650 and attr rmsd > 3.550) 6 6 0 peak 13045 ppm1 4.785 ppm2 3.600 volume 0.4167 assi ((( attr rmsd < 4.835) and (attr rmsd > 4.735)) and bondedto(attr rmsd < 18.074 and attr rmsd > 17.074)) ( attr rmsd < 3.650 and attr rmsd > 3.550) 6 6 0 peak 23045 ppm1 4.785 ppm2 3.600 volume 0.4167 assi ((( attr rmsd < 4.823) and (attr rmsd > 4.723)) and bondedto(attr rmsd < 65.562 and attr rmsd > 64.562)) ( attr rmsd < 3.719 and attr rmsd > 3.619) 6 6 0 peak 13046 ppm1 4.773 ppm2 3.669 volume 0.4832 assi ((( attr rmsd < 4.823) and (attr rmsd > 4.723)) and bondedto(attr rmsd < 18.042 and attr rmsd > 17.042)) ( attr rmsd < 3.719 and attr rmsd > 3.619) 6 6 0 peak 23046 ppm1 4.773 ppm2 3.669 volume 0.4832 assi ((( attr rmsd < 4.813) and (attr rmsd > 4.713)) and bondedto(attr rmsd < 65.631 and attr rmsd > 64.631)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 13047 ppm1 4.763 ppm2 0.890 volume 0.8107 assi ((( attr rmsd < 4.813) and (attr rmsd > 4.713)) and bondedto(attr rmsd < 18.111 and attr rmsd > 17.111)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 23047 ppm1 4.763 ppm2 0.890 volume 0.8107 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 65.567 and attr rmsd > 64.567)) ( attr rmsd < 3.718 and attr rmsd > 3.618) 6 6 0 peak 13048 ppm1 4.698 ppm2 3.668 volume 0.9073 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 18.047 and attr rmsd > 17.047)) ( attr rmsd < 3.718 and attr rmsd > 3.618) 6 6 0 peak 23048 ppm1 4.698 ppm2 3.668 volume 0.9073 assi ((( attr rmsd < 4.750) and (attr rmsd > 4.650)) and bondedto(attr rmsd < 65.589 and attr rmsd > 64.589)) ( attr rmsd < 3.655 and attr rmsd > 3.555) 6 6 0 peak 13049 ppm1 4.700 ppm2 3.605 volume 0.8202 assi ((( attr rmsd < 4.750) and (attr rmsd > 4.650)) and bondedto(attr rmsd < 18.069 and attr rmsd > 17.069)) ( attr rmsd < 3.655 and attr rmsd > 3.555) 6 6 0 peak 23049 ppm1 4.700 ppm2 3.605 volume 0.8202 assi ((( attr rmsd < 3.853) and (attr rmsd > 3.753)) and bondedto(attr rmsd < 65.578 and attr rmsd > 64.578)) ( attr rmsd < 3.725 and attr rmsd > 3.625) 6 6 0 peak 13050 ppm1 3.803 ppm2 3.675 volume 0.4893 assi ((( attr rmsd < 3.853) and (attr rmsd > 3.753)) and bondedto(attr rmsd < 18.058 and attr rmsd > 17.058)) ( attr rmsd < 3.725 and attr rmsd > 3.625) 6 6 0 peak 23050 ppm1 3.803 ppm2 3.675 volume 0.4893 assi ((( attr rmsd < 3.856) and (attr rmsd > 3.756)) and bondedto(attr rmsd < 65.547 and attr rmsd > 64.547)) ( attr rmsd < 3.631 and attr rmsd > 3.531) 6 6 0 peak 13051 ppm1 3.806 ppm2 3.581 volume 0.2823 assi ((( attr rmsd < 3.856) and (attr rmsd > 3.756)) and bondedto(attr rmsd < 18.027 and attr rmsd > 17.027)) ( attr rmsd < 3.631 and attr rmsd > 3.531) 6 6 0 peak 23051 ppm1 3.806 ppm2 3.581 volume 0.2823 assi ((( attr rmsd < 3.778) and (attr rmsd > 3.678)) and bondedto(attr rmsd < 65.583 and attr rmsd > 64.583)) ( attr rmsd < 3.551 and attr rmsd > 3.451) 6 6 0 peak 13052 ppm1 3.728 ppm2 3.501 volume 0.2250 assi ((( attr rmsd < 3.778) and (attr rmsd > 3.678)) and bondedto(attr rmsd < 18.063 and attr rmsd > 17.063)) ( attr rmsd < 3.551 and attr rmsd > 3.451) 6 6 0 peak 23052 ppm1 3.728 ppm2 3.501 volume 0.2250 assi ((( attr rmsd < 3.723) and (attr rmsd > 3.623)) and bondedto(attr rmsd < 65.577 and attr rmsd > 64.577)) ( attr rmsd < 3.878 and attr rmsd > 3.778) 6 6 0 peak 13053 ppm1 3.673 ppm2 3.828 volume 0.5187 assi ((( attr rmsd < 3.723) and (attr rmsd > 3.623)) and bondedto(attr rmsd < 18.057 and attr rmsd > 17.057)) ( attr rmsd < 3.878 and attr rmsd > 3.778) 6 6 0 peak 23053 ppm1 3.673 ppm2 3.828 volume 0.5187 assi ((( attr rmsd < 3.725) and (attr rmsd > 3.625)) and bondedto(attr rmsd < 65.564 and attr rmsd > 64.564)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 13054 ppm1 3.675 ppm2 3.596 volume 16.6819 assi ((( attr rmsd < 3.725) and (attr rmsd > 3.625)) and bondedto(attr rmsd < 18.044 and attr rmsd > 17.044)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 23054 ppm1 3.675 ppm2 3.596 volume 16.6819 assi ((( attr rmsd < 3.713) and (attr rmsd > 3.613)) and bondedto(attr rmsd < 65.564 and attr rmsd > 64.564)) ( attr rmsd < 3.724 and attr rmsd > 3.624) 6 6 0 peak 13055 ppm1 3.663 ppm2 3.674 volume 10.9309 assi ((( attr rmsd < 3.713) and (attr rmsd > 3.613)) and bondedto(attr rmsd < 18.044 and attr rmsd > 17.044)) ( attr rmsd < 3.724 and attr rmsd > 3.624) 6 6 0 peak 23055 ppm1 3.663 ppm2 3.674 volume 10.9309 assi ((( attr rmsd < 3.642) and (attr rmsd > 3.542)) and bondedto(attr rmsd < 65.584 and attr rmsd > 64.584)) ( attr rmsd < 3.879 and attr rmsd > 3.779) 6 6 0 peak 13056 ppm1 3.592 ppm2 3.829 volume 0.7523 assi ((( attr rmsd < 3.642) and (attr rmsd > 3.542)) and bondedto(attr rmsd < 18.064 and attr rmsd > 17.064)) ( attr rmsd < 3.879 and attr rmsd > 3.779) 6 6 0 peak 23056 ppm1 3.592 ppm2 3.829 volume 0.7523 assi ((( attr rmsd < 3.635) and (attr rmsd > 3.535)) and bondedto(attr rmsd < 65.560 and attr rmsd > 64.560)) ( attr rmsd < 3.718 and attr rmsd > 3.618) 6 6 0 peak 13057 ppm1 3.585 ppm2 3.668 volume 15.3248 assi ((( attr rmsd < 3.635) and (attr rmsd > 3.535)) and bondedto(attr rmsd < 18.040 and attr rmsd > 17.040)) ( attr rmsd < 3.718 and attr rmsd > 3.618) 6 6 0 peak 23057 ppm1 3.585 ppm2 3.668 volume 15.3248 assi ((( attr rmsd < 3.581) and (attr rmsd > 3.481)) and bondedto(attr rmsd < 65.543 and attr rmsd > 64.543)) ( attr rmsd < 3.816 and attr rmsd > 3.716) 6 6 0 peak 13058 ppm1 3.531 ppm2 3.766 volume 0.1509 assi ((( attr rmsd < 3.581) and (attr rmsd > 3.481)) and bondedto(attr rmsd < 18.023 and attr rmsd > 17.023)) ( attr rmsd < 3.816 and attr rmsd > 3.716) 6 6 0 peak 23058 ppm1 3.531 ppm2 3.766 volume 0.1509 assi ((( attr rmsd < 1.925) and (attr rmsd > 1.825)) and bondedto(attr rmsd < 65.483 and attr rmsd > 64.483)) ( attr rmsd < 1.930 and attr rmsd > 1.830) 6 6 0 peak 13059 ppm1 1.875 ppm2 1.880 volume 0.1553 assi ((( attr rmsd < 1.925) and (attr rmsd > 1.825)) and bondedto(attr rmsd < 17.963 and attr rmsd > 16.963)) ( attr rmsd < 1.930 and attr rmsd > 1.830) 6 6 0 peak 23059 ppm1 1.875 ppm2 1.880 volume 0.1553 assi ((( attr rmsd < 1.917) and (attr rmsd > 1.817)) and bondedto(attr rmsd < 65.612 and attr rmsd > 64.612)) ( attr rmsd < 0.946 and attr rmsd > 0.846) 6 6 0 peak 13060 ppm1 1.867 ppm2 0.896 volume 0.6151 assi ((( attr rmsd < 1.917) and (attr rmsd > 1.817)) and bondedto(attr rmsd < 18.092 and attr rmsd > 17.092)) ( attr rmsd < 0.946 and attr rmsd > 0.846) 6 6 0 peak 23060 ppm1 1.867 ppm2 0.896 volume 0.6151 assi ((( attr rmsd < 1.769) and (attr rmsd > 1.669)) and bondedto(attr rmsd < 65.498 and attr rmsd > 64.498)) ( attr rmsd < 3.059 and attr rmsd > 2.959) 6 6 0 peak 13061 ppm1 1.719 ppm2 3.009 volume 0.6738 assi ((( attr rmsd < 1.769) and (attr rmsd > 1.669)) and bondedto(attr rmsd < 17.978 and attr rmsd > 16.978)) ( attr rmsd < 3.059 and attr rmsd > 2.959) 6 6 0 peak 23061 ppm1 1.719 ppm2 3.009 volume 0.6738 assi ((( attr rmsd < 1.558) and (attr rmsd > 1.458)) and bondedto(attr rmsd < 65.510 and attr rmsd > 64.510)) ( attr rmsd < 1.692 and attr rmsd > 1.592) 6 6 0 peak 13062 ppm1 1.508 ppm2 1.642 volume 0.7771 assi ((( attr rmsd < 1.558) and (attr rmsd > 1.458)) and bondedto(attr rmsd < 17.990 and attr rmsd > 16.990)) ( attr rmsd < 1.692 and attr rmsd > 1.592) 6 6 0 peak 23062 ppm1 1.508 ppm2 1.642 volume 0.7771 assi ((( attr rmsd < 1.373) and (attr rmsd > 1.273)) and bondedto(attr rmsd < 65.633 and attr rmsd > 64.633)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 13063 ppm1 1.323 ppm2 0.891 volume 0.1462 assi ((( attr rmsd < 1.373) and (attr rmsd > 1.273)) and bondedto(attr rmsd < 18.113 and attr rmsd > 17.113)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 23063 ppm1 1.323 ppm2 0.891 volume 0.1462 assi ((( attr rmsd < 0.974) and (attr rmsd > 0.874)) and bondedto(attr rmsd < 65.643 and attr rmsd > 64.643)) ( attr rmsd < 4.398 and attr rmsd > 4.298) 6 6 0 peak 13064 ppm1 0.924 ppm2 4.348 volume 0.8388 assi ((( attr rmsd < 0.974) and (attr rmsd > 0.874)) and bondedto(attr rmsd < 18.123 and attr rmsd > 17.123)) ( attr rmsd < 4.398 and attr rmsd > 4.298) 6 6 0 peak 23064 ppm1 0.924 ppm2 4.348 volume 0.8388 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 65.528 and attr rmsd > 64.528)) ( attr rmsd < 2.972 and attr rmsd > 2.872) 6 6 0 peak 13065 ppm1 0.929 ppm2 2.922 volume 0.3891 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 18.008 and attr rmsd > 17.008)) ( attr rmsd < 2.972 and attr rmsd > 2.872) 6 6 0 peak 23065 ppm1 0.929 ppm2 2.922 volume 0.3891 assi ((( attr rmsd < 0.977) and (attr rmsd > 0.877)) and bondedto(attr rmsd < 65.660 and attr rmsd > 64.660)) ( attr rmsd < 2.497 and attr rmsd > 2.397) 6 6 0 peak 13066 ppm1 0.927 ppm2 2.447 volume 0.5620 assi ((( attr rmsd < 0.977) and (attr rmsd > 0.877)) and bondedto(attr rmsd < 18.140 and attr rmsd > 17.140)) ( attr rmsd < 2.497 and attr rmsd > 2.397) 6 6 0 peak 23066 ppm1 0.927 ppm2 2.447 volume 0.5620 assi ((( attr rmsd < 0.976) and (attr rmsd > 0.876)) and bondedto(attr rmsd < 65.637 and attr rmsd > 64.637)) ( attr rmsd < 1.802 and attr rmsd > 1.702) 6 6 0 peak 13067 ppm1 0.926 ppm2 1.752 volume 2.2166 assi ((( attr rmsd < 0.976) and (attr rmsd > 0.876)) and bondedto(attr rmsd < 18.117 and attr rmsd > 17.117)) ( attr rmsd < 1.802 and attr rmsd > 1.702) 6 6 0 peak 23067 ppm1 0.926 ppm2 1.752 volume 2.2166 assi ((( attr rmsd < 0.946) and (attr rmsd > 0.846)) and bondedto(attr rmsd < 65.655 and attr rmsd > 64.655)) ( attr rmsd < 1.919 and attr rmsd > 1.819) 6 6 0 peak 13068 ppm1 0.896 ppm2 1.869 volume 1.3064 assi ((( attr rmsd < 0.946) and (attr rmsd > 0.846)) and bondedto(attr rmsd < 18.135 and attr rmsd > 17.135)) ( attr rmsd < 1.919 and attr rmsd > 1.819) 6 6 0 peak 23068 ppm1 0.896 ppm2 1.869 volume 1.3064 assi ((( attr rmsd < 0.943) and (attr rmsd > 0.843)) and bondedto(attr rmsd < 65.651 and attr rmsd > 64.651)) ( attr rmsd < 1.545 and attr rmsd > 1.445) 6 6 0 peak 13069 ppm1 0.893 ppm2 1.495 volume 0.6047 assi ((( attr rmsd < 0.943) and (attr rmsd > 0.843)) and bondedto(attr rmsd < 18.131 and attr rmsd > 17.131)) ( attr rmsd < 1.545 and attr rmsd > 1.445) 6 6 0 peak 23069 ppm1 0.893 ppm2 1.495 volume 0.6047 assi ((( attr rmsd < 0.953) and (attr rmsd > 0.853)) and bondedto(attr rmsd < 65.629 and attr rmsd > 64.629)) ( attr rmsd < 1.276 and attr rmsd > 1.176) 6 6 0 peak 13070 ppm1 0.903 ppm2 1.226 volume 0.6233 assi ((( attr rmsd < 0.953) and (attr rmsd > 0.853)) and bondedto(attr rmsd < 18.109 and attr rmsd > 17.109)) ( attr rmsd < 1.276 and attr rmsd > 1.176) 6 6 0 peak 23070 ppm1 0.903 ppm2 1.226 volume 0.6233 assi ((( attr rmsd < 0.940) and (attr rmsd > 0.840)) and bondedto(attr rmsd < 65.635 and attr rmsd > 64.635)) ( attr rmsd < 4.195 and attr rmsd > 4.095) 6 6 0 peak 13071 ppm1 0.890 ppm2 4.145 volume 0.7028 assi ((( attr rmsd < 0.940) and (attr rmsd > 0.840)) and bondedto(attr rmsd < 18.115 and attr rmsd > 17.115)) ( attr rmsd < 4.195 and attr rmsd > 4.095) 6 6 0 peak 23071 ppm1 0.890 ppm2 4.145 volume 0.7028 assi ((( attr rmsd < 0.941) and (attr rmsd > 0.841)) and bondedto(attr rmsd < 65.628 and attr rmsd > 64.628)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 13072 ppm1 0.891 ppm2 0.891 volume 85.4642 assi ((( attr rmsd < 0.941) and (attr rmsd > 0.841)) and bondedto(attr rmsd < 18.108 and attr rmsd > 17.108)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 23072 ppm1 0.891 ppm2 0.891 volume 85.4642 assi ((( attr rmsd < 0.920) and (attr rmsd > 0.820)) and bondedto(attr rmsd < 65.663 and attr rmsd > 64.663)) ( attr rmsd < 1.068 and attr rmsd > 0.968) 6 6 0 peak 13073 ppm1 0.870 ppm2 1.018 volume 0.6541 assi ((( attr rmsd < 0.920) and (attr rmsd > 0.820)) and bondedto(attr rmsd < 18.143 and attr rmsd > 17.143)) ( attr rmsd < 1.068 and attr rmsd > 0.968) 6 6 0 peak 23073 ppm1 0.870 ppm2 1.018 volume 0.6541 assi ((( attr rmsd < 0.880) and (attr rmsd > 0.780)) and bondedto(attr rmsd < 65.551 and attr rmsd > 64.551)) ( attr rmsd < 0.734 and attr rmsd > 0.634) 6 6 0 peak 13074 ppm1 0.830 ppm2 0.684 volume 0.5095 assi ((( attr rmsd < 0.880) and (attr rmsd > 0.780)) and bondedto(attr rmsd < 18.031 and attr rmsd > 17.031)) ( attr rmsd < 0.734 and attr rmsd > 0.634) 6 6 0 peak 23074 ppm1 0.830 ppm2 0.684 volume 0.5095 assi ((( attr rmsd < 0.873) and (attr rmsd > 0.773)) and bondedto(attr rmsd < 65.596 and attr rmsd > 64.596)) ( attr rmsd < 4.623 and attr rmsd > 4.523) 6 6 0 peak 13075 ppm1 0.823 ppm2 4.573 volume 0.5991 assi ((( attr rmsd < 0.873) and (attr rmsd > 0.773)) and bondedto(attr rmsd < 18.076 and attr rmsd > 17.076)) ( attr rmsd < 4.623 and attr rmsd > 4.523) 6 6 0 peak 23075 ppm1 0.823 ppm2 4.573 volume 0.5991 assi ((( attr rmsd < 0.873) and (attr rmsd > 0.773)) and bondedto(attr rmsd < 65.581 and attr rmsd > 64.581)) ( attr rmsd < 2.939 and attr rmsd > 2.839) 6 6 0 peak 13076 ppm1 0.823 ppm2 2.889 volume 0.1628 assi ((( attr rmsd < 0.873) and (attr rmsd > 0.773)) and bondedto(attr rmsd < 18.061 and attr rmsd > 17.061)) ( attr rmsd < 2.939 and attr rmsd > 2.839) 6 6 0 peak 23076 ppm1 0.823 ppm2 2.889 volume 0.1628 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 65.626 and attr rmsd > 64.626)) ( attr rmsd < 1.501 and attr rmsd > 1.401) 6 6 0 peak 13077 ppm1 0.825 ppm2 1.451 volume 0.8493 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 18.106 and attr rmsd > 17.106)) ( attr rmsd < 1.501 and attr rmsd > 1.401) 6 6 0 peak 23077 ppm1 0.825 ppm2 1.451 volume 0.8493 assi ((( attr rmsd < 0.870) and (attr rmsd > 0.770)) and bondedto(attr rmsd < 65.629 and attr rmsd > 64.629)) ( attr rmsd < 0.875 and attr rmsd > 0.775) 6 6 0 peak 13078 ppm1 0.820 ppm2 0.825 volume 26.2233 assi ((( attr rmsd < 0.870) and (attr rmsd > 0.770)) and bondedto(attr rmsd < 18.109 and attr rmsd > 17.109)) ( attr rmsd < 0.875 and attr rmsd > 0.775) 6 6 0 peak 23078 ppm1 0.820 ppm2 0.825 volume 26.2233 assi ((( attr rmsd < 0.517) and (attr rmsd > 0.417)) and bondedto(attr rmsd < 65.620 and attr rmsd > 64.620)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 13079 ppm1 0.467 ppm2 0.893 volume 0.3598 assi ((( attr rmsd < 0.517) and (attr rmsd > 0.417)) and bondedto(attr rmsd < 18.100 and attr rmsd > 17.100)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 23079 ppm1 0.467 ppm2 0.893 volume 0.3598 assi ((( attr rmsd < 4.866) and (attr rmsd > 4.766)) and bondedto(attr rmsd < 41.881 and attr rmsd > 40.881)) ( attr rmsd < 0.931 and attr rmsd > 0.831) 6 6 0 peak 3080 ppm1 4.816 ppm2 0.881 volume 0.1904 assi ((( attr rmsd < 3.896) and (attr rmsd > 3.796)) and bondedto(attr rmsd < 41.780 and attr rmsd > 40.780)) ( attr rmsd < 3.649 and attr rmsd > 3.549) 6 6 0 peak 3081 ppm1 3.846 ppm2 3.599 volume 0.3327 assi ((( attr rmsd < 3.774) and (attr rmsd > 3.674)) and bondedto(attr rmsd < 41.811 and attr rmsd > 40.811)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 3082 ppm1 3.724 ppm2 3.591 volume 2.6188 assi ((( attr rmsd < 3.732) and (attr rmsd > 3.632)) and bondedto(attr rmsd < 41.806 and attr rmsd > 40.806)) ( attr rmsd < 3.560 and attr rmsd > 3.460) 6 6 0 peak 3083 ppm1 3.682 ppm2 3.510 volume 2.6656 assi ((( attr rmsd < 3.641) and (attr rmsd > 3.541)) and bondedto(attr rmsd < 41.825 and attr rmsd > 40.825)) ( attr rmsd < 3.529 and attr rmsd > 3.429) 6 6 0 peak 3084 ppm1 3.591 ppm2 3.479 volume 1.3867 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 41.795 and attr rmsd > 40.795)) ( attr rmsd < 3.814 and attr rmsd > 3.714) 6 6 0 peak 3085 ppm1 3.581 ppm2 3.764 volume 1.3054 assi ((( attr rmsd < 3.584) and (attr rmsd > 3.484)) and bondedto(attr rmsd < 41.798 and attr rmsd > 40.798)) ( attr rmsd < 3.724 and attr rmsd > 3.624) 6 6 0 peak 3086 ppm1 3.534 ppm2 3.674 volume 2.1791 assi ((( attr rmsd < 3.480) and (attr rmsd > 3.380)) and bondedto(attr rmsd < 41.802 and attr rmsd > 40.802)) ( attr rmsd < 3.715 and attr rmsd > 3.615) 6 6 0 peak 3087 ppm1 3.430 ppm2 3.665 volume 0.2340 assi ((( attr rmsd < 1.855) and (attr rmsd > 1.755)) and bondedto(attr rmsd < 41.883 and attr rmsd > 40.883)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 3088 ppm1 1.805 ppm2 0.893 volume 0.6542 assi ((( attr rmsd < 1.807) and (attr rmsd > 1.707)) and bondedto(attr rmsd < 41.877 and attr rmsd > 40.877)) ( attr rmsd < 0.842 and attr rmsd > 0.742) 6 6 0 peak 3089 ppm1 1.757 ppm2 0.792 volume 0.5555 assi ((( attr rmsd < 1.460) and (attr rmsd > 1.360)) and bondedto(attr rmsd < 41.788 and attr rmsd > 40.788)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 3090 ppm1 1.410 ppm2 0.893 volume 0.2217 assi ((( attr rmsd < 1.308) and (attr rmsd > 1.208)) and bondedto(attr rmsd < 41.868 and attr rmsd > 40.868)) ( attr rmsd < 0.949 and attr rmsd > 0.849) 6 6 0 peak 3091 ppm1 1.258 ppm2 0.899 volume 0.4829 assi ((( attr rmsd < 1.278) and (attr rmsd > 1.178)) and bondedto(attr rmsd < 41.866 and attr rmsd > 40.866)) ( attr rmsd < 0.945 and attr rmsd > 0.845) 6 6 0 peak 3092 ppm1 1.228 ppm2 0.895 volume 0.4790 assi ((( attr rmsd < 1.160) and (attr rmsd > 1.060)) and bondedto(attr rmsd < 41.865 and attr rmsd > 40.865)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 3093 ppm1 1.110 ppm2 0.891 volume 0.4250 assi ((( attr rmsd < 1.093) and (attr rmsd > 0.993)) and bondedto(attr rmsd < 41.849 and attr rmsd > 40.849)) ( attr rmsd < 0.939 and attr rmsd > 0.839) 6 6 0 peak 3094 ppm1 1.043 ppm2 0.889 volume 0.4532 assi ((( attr rmsd < 0.944) and (attr rmsd > 0.844)) and bondedto(attr rmsd < 41.858 and attr rmsd > 40.858)) ( attr rmsd < 0.850 and attr rmsd > 0.750) 6 6 0 peak 3095 ppm1 0.894 ppm2 0.800 volume 9.4927 assi ((( attr rmsd < 0.943) and (attr rmsd > 0.843)) and bondedto(attr rmsd < 41.873 and attr rmsd > 40.873)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 3096 ppm1 0.893 ppm2 -0.011 volume 1.8561 assi ((( attr rmsd < 0.926) and (attr rmsd > 0.826)) and bondedto(attr rmsd < 41.876 and attr rmsd > 40.876)) ( attr rmsd < 1.037 and attr rmsd > 0.937) 6 6 0 peak 3097 ppm1 0.876 ppm2 0.987 volume 1.6067 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 41.848 and attr rmsd > 40.848)) ( attr rmsd < 0.774 and attr rmsd > 0.674) 6 6 0 peak 3098 ppm1 0.819 ppm2 0.724 volume 1.7586 assi ((( attr rmsd < 0.872) and (attr rmsd > 0.772)) and bondedto(attr rmsd < 41.909 and attr rmsd > 40.909)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 3099 ppm1 0.822 ppm2 -0.011 volume 0.9438 assi ((( attr rmsd < 4.870) and (attr rmsd > 4.770)) and bondedto(attr rmsd < 65.425 and attr rmsd > 64.425)) ( attr rmsd < 3.087 and attr rmsd > 2.987) 6 6 0 peak 13100 ppm1 4.820 ppm2 3.037 volume 0.1623 assi ((( attr rmsd < 4.870) and (attr rmsd > 4.770)) and bondedto(attr rmsd < 17.905 and attr rmsd > 16.905)) ( attr rmsd < 3.087 and attr rmsd > 2.987) 6 6 0 peak 23100 ppm1 4.820 ppm2 3.037 volume 0.1623 assi ((( attr rmsd < 4.841) and (attr rmsd > 4.741)) and bondedto(attr rmsd < 65.391 and attr rmsd > 64.391)) ( attr rmsd < 0.592 and attr rmsd > 0.492) 6 6 0 peak 13101 ppm1 4.791 ppm2 0.542 volume 0.1834 assi ((( attr rmsd < 4.841) and (attr rmsd > 4.741)) and bondedto(attr rmsd < 17.871 and attr rmsd > 16.871)) ( attr rmsd < 0.592 and attr rmsd > 0.492) 6 6 0 peak 23101 ppm1 4.791 ppm2 0.542 volume 0.1834 assi ((( attr rmsd < 4.737) and (attr rmsd > 4.637)) and bondedto(attr rmsd < 65.432 and attr rmsd > 64.432)) ( attr rmsd < 3.096 and attr rmsd > 2.996) 6 6 0 peak 13102 ppm1 4.687 ppm2 3.046 volume 0.2897 assi ((( attr rmsd < 4.737) and (attr rmsd > 4.637)) and bondedto(attr rmsd < 17.912 and attr rmsd > 16.912)) ( attr rmsd < 3.096 and attr rmsd > 2.996) 6 6 0 peak 23102 ppm1 4.687 ppm2 3.046 volume 0.2897 assi ((( attr rmsd < 4.700) and (attr rmsd > 4.600)) and bondedto(attr rmsd < 65.437 and attr rmsd > 64.437)) ( attr rmsd < 3.089 and attr rmsd > 2.989) 6 6 0 peak 13103 ppm1 4.650 ppm2 3.039 volume 0.2209 assi ((( attr rmsd < 4.700) and (attr rmsd > 4.600)) and bondedto(attr rmsd < 17.917 and attr rmsd > 16.917)) ( attr rmsd < 3.089 and attr rmsd > 2.989) 6 6 0 peak 23103 ppm1 4.650 ppm2 3.039 volume 0.2209 assi ((( attr rmsd < 4.650) and (attr rmsd > 4.550)) and bondedto(attr rmsd < 65.429 and attr rmsd > 64.429)) ( attr rmsd < 3.086 and attr rmsd > 2.986) 6 6 0 peak 13104 ppm1 4.600 ppm2 3.036 volume 0.1696 assi ((( attr rmsd < 4.650) and (attr rmsd > 4.550)) and bondedto(attr rmsd < 17.909 and attr rmsd > 16.909)) ( attr rmsd < 3.086 and attr rmsd > 2.986) 6 6 0 peak 23104 ppm1 4.600 ppm2 3.036 volume 0.1696 assi ((( attr rmsd < 3.909) and (attr rmsd > 3.809)) and bondedto(attr rmsd < 65.389 and attr rmsd > 64.389)) ( attr rmsd < 3.915 and attr rmsd > 3.815) 6 6 0 peak 13105 ppm1 3.859 ppm2 3.865 volume 1.4614 assi ((( attr rmsd < 3.909) and (attr rmsd > 3.809)) and bondedto(attr rmsd < 17.869 and attr rmsd > 16.869)) ( attr rmsd < 3.915 and attr rmsd > 3.815) 6 6 0 peak 23105 ppm1 3.859 ppm2 3.865 volume 1.4614 assi ((( attr rmsd < 3.112) and (attr rmsd > 3.012)) and bondedto(attr rmsd < 65.406 and attr rmsd > 64.406)) ( attr rmsd < 1.789 and attr rmsd > 1.689) 6 6 0 peak 13106 ppm1 3.062 ppm2 1.739 volume 0.2013 assi ((( attr rmsd < 3.112) and (attr rmsd > 3.012)) and bondedto(attr rmsd < 17.886 and attr rmsd > 16.886)) ( attr rmsd < 1.789 and attr rmsd > 1.689) 6 6 0 peak 23106 ppm1 3.062 ppm2 1.739 volume 0.2013 assi ((( attr rmsd < 3.073) and (attr rmsd > 2.973)) and bondedto(attr rmsd < 65.397 and attr rmsd > 64.397)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 13107 ppm1 3.023 ppm2 4.777 volume 0.1920 assi ((( attr rmsd < 3.073) and (attr rmsd > 2.973)) and bondedto(attr rmsd < 17.877 and attr rmsd > 16.877)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 23107 ppm1 3.023 ppm2 4.777 volume 0.1920 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 65.400 and attr rmsd > 64.400)) ( attr rmsd < 3.068 and attr rmsd > 2.968) 6 6 0 peak 13108 ppm1 3.016 ppm2 3.018 volume 21.4869 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 17.880 and attr rmsd > 16.880)) ( attr rmsd < 3.068 and attr rmsd > 2.968) 6 6 0 peak 23108 ppm1 3.016 ppm2 3.018 volume 21.4869 assi ((( attr rmsd < 2.971) and (attr rmsd > 2.871)) and bondedto(attr rmsd < 65.396 and attr rmsd > 64.396)) ( attr rmsd < 2.949 and attr rmsd > 2.849) 6 6 0 peak 13109 ppm1 2.921 ppm2 2.899 volume 1.5650 assi ((( attr rmsd < 2.971) and (attr rmsd > 2.871)) and bondedto(attr rmsd < 17.876 and attr rmsd > 16.876)) ( attr rmsd < 2.949 and attr rmsd > 2.849) 6 6 0 peak 23109 ppm1 2.921 ppm2 2.899 volume 1.5650 assi ((( attr rmsd < 1.636) and (attr rmsd > 1.536)) and bondedto(attr rmsd < 65.391 and attr rmsd > 64.391)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13110 ppm1 1.586 ppm2 4.776 volume 0.1500 assi ((( attr rmsd < 1.636) and (attr rmsd > 1.536)) and bondedto(attr rmsd < 17.871 and attr rmsd > 16.871)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23110 ppm1 1.586 ppm2 4.776 volume 0.1500 assi ((( attr rmsd < 1.638) and (attr rmsd > 1.538)) and bondedto(attr rmsd < 65.479 and attr rmsd > 64.479)) ( attr rmsd < 4.071 and attr rmsd > 3.971) 6 6 0 peak 13111 ppm1 1.588 ppm2 4.021 volume 0.2040 assi ((( attr rmsd < 1.638) and (attr rmsd > 1.538)) and bondedto(attr rmsd < 17.959 and attr rmsd > 16.959)) ( attr rmsd < 4.071 and attr rmsd > 3.971) 6 6 0 peak 23111 ppm1 1.588 ppm2 4.021 volume 0.2040 assi ((( attr rmsd < 1.637) and (attr rmsd > 1.537)) and bondedto(attr rmsd < 65.463 and attr rmsd > 64.463)) ( attr rmsd < 1.642 and attr rmsd > 1.542) 6 6 0 peak 13112 ppm1 1.587 ppm2 1.592 volume 2.6629 assi ((( attr rmsd < 1.637) and (attr rmsd > 1.537)) and bondedto(attr rmsd < 17.943 and attr rmsd > 16.943)) ( attr rmsd < 1.642 and attr rmsd > 1.542) 6 6 0 peak 23112 ppm1 1.587 ppm2 1.592 volume 2.6629 assi ((( attr rmsd < 0.588) and (attr rmsd > 0.488)) and bondedto(attr rmsd < 65.437 and attr rmsd > 64.437)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 13113 ppm1 0.538 ppm2 4.773 volume 0.4693 assi ((( attr rmsd < 0.588) and (attr rmsd > 0.488)) and bondedto(attr rmsd < 17.917 and attr rmsd > 16.917)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 23113 ppm1 0.538 ppm2 4.773 volume 0.4693 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 65.418 and attr rmsd > 64.418)) ( attr rmsd < 4.694 and attr rmsd > 4.594) 6 6 0 peak 13114 ppm1 0.540 ppm2 4.644 volume 0.7729 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 17.898 and attr rmsd > 16.898)) ( attr rmsd < 4.694 and attr rmsd > 4.594) 6 6 0 peak 23114 ppm1 0.540 ppm2 4.644 volume 0.7729 assi ((( attr rmsd < 0.589) and (attr rmsd > 0.489)) and bondedto(attr rmsd < 65.399 and attr rmsd > 64.399)) ( attr rmsd < 2.054 and attr rmsd > 1.954) 6 6 0 peak 13115 ppm1 0.539 ppm2 2.004 volume 0.5440 assi ((( attr rmsd < 0.589) and (attr rmsd > 0.489)) and bondedto(attr rmsd < 17.879 and attr rmsd > 16.879)) ( attr rmsd < 2.054 and attr rmsd > 1.954) 6 6 0 peak 23115 ppm1 0.539 ppm2 2.004 volume 0.5440 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 65.412 and attr rmsd > 64.412)) ( attr rmsd < 1.677 and attr rmsd > 1.577) 6 6 0 peak 13116 ppm1 0.540 ppm2 1.627 volume 1.4049 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 17.892 and attr rmsd > 16.892)) ( attr rmsd < 1.677 and attr rmsd > 1.577) 6 6 0 peak 23116 ppm1 0.540 ppm2 1.627 volume 1.4049 assi ((( attr rmsd < 0.589) and (attr rmsd > 0.489)) and bondedto(attr rmsd < 65.396 and attr rmsd > 64.396)) ( attr rmsd < 1.385 and attr rmsd > 1.285) 6 6 0 peak 13117 ppm1 0.539 ppm2 1.335 volume 0.4256 assi ((( attr rmsd < 0.589) and (attr rmsd > 0.489)) and bondedto(attr rmsd < 17.876 and attr rmsd > 16.876)) ( attr rmsd < 1.385 and attr rmsd > 1.285) 6 6 0 peak 23117 ppm1 0.539 ppm2 1.335 volume 0.4256 assi ((( attr rmsd < 0.592) and (attr rmsd > 0.492)) and bondedto(attr rmsd < 65.425 and attr rmsd > 64.425)) ( attr rmsd < 1.164 and attr rmsd > 1.064) 6 6 0 peak 13118 ppm1 0.542 ppm2 1.114 volume 0.2219 assi ((( attr rmsd < 0.592) and (attr rmsd > 0.492)) and bondedto(attr rmsd < 17.905 and attr rmsd > 16.905)) ( attr rmsd < 1.164 and attr rmsd > 1.064) 6 6 0 peak 23118 ppm1 0.542 ppm2 1.114 volume 0.2219 assi ((( attr rmsd < 0.588) and (attr rmsd > 0.488)) and bondedto(attr rmsd < 65.408 and attr rmsd > 64.408)) ( attr rmsd < 0.593 and attr rmsd > 0.493) 6 6 0 peak 13119 ppm1 0.538 ppm2 0.543 volume 16.3600 assi ((( attr rmsd < 0.588) and (attr rmsd > 0.488)) and bondedto(attr rmsd < 17.888 and attr rmsd > 16.888)) ( attr rmsd < 0.593 and attr rmsd > 0.493) 6 6 0 peak 23119 ppm1 0.538 ppm2 0.543 volume 16.3600 assi ((( attr rmsd < 0.429) and (attr rmsd > 0.329)) and bondedto(attr rmsd < 65.440 and attr rmsd > 64.440)) ( attr rmsd < 0.435 and attr rmsd > 0.335) 6 6 0 peak 13120 ppm1 0.379 ppm2 0.385 volume 1.5035 assi ((( attr rmsd < 0.429) and (attr rmsd > 0.329)) and bondedto(attr rmsd < 17.920 and attr rmsd > 16.920)) ( attr rmsd < 0.435 and attr rmsd > 0.335) 6 6 0 peak 23120 ppm1 0.379 ppm2 0.385 volume 1.5035 assi ((( attr rmsd < 5.118) and (attr rmsd > 5.018)) and bondedto(attr rmsd < 41.668 and attr rmsd > 40.668)) ( attr rmsd < 3.090 and attr rmsd > 2.990) 6 6 0 peak 3121 ppm1 5.068 ppm2 3.040 volume 0.1833 assi ((( attr rmsd < 5.065) and (attr rmsd > 4.965)) and bondedto(attr rmsd < 41.653 and attr rmsd > 40.653)) ( attr rmsd < 3.085 and attr rmsd > 2.985) 6 6 0 peak 3122 ppm1 5.015 ppm2 3.035 volume 0.1757 assi ((( attr rmsd < 5.049) and (attr rmsd > 4.949)) and bondedto(attr rmsd < 41.667 and attr rmsd > 40.667)) ( attr rmsd < 3.090 and attr rmsd > 2.990) 6 6 0 peak 3123 ppm1 4.999 ppm2 3.040 volume 0.1754 assi ((( attr rmsd < 4.988) and (attr rmsd > 4.888)) and bondedto(attr rmsd < 41.680 and attr rmsd > 40.680)) ( attr rmsd < 3.083 and attr rmsd > 2.983) 6 6 0 peak 3124 ppm1 4.938 ppm2 3.033 volume 0.2360 assi ((( attr rmsd < 4.947) and (attr rmsd > 4.847)) and bondedto(attr rmsd < 41.649 and attr rmsd > 40.649)) ( attr rmsd < 3.090 and attr rmsd > 2.990) 6 6 0 peak 3125 ppm1 4.897 ppm2 3.040 volume 0.2830 assi ((( attr rmsd < 4.922) and (attr rmsd > 4.822)) and bondedto(attr rmsd < 41.656 and attr rmsd > 40.656)) ( attr rmsd < 3.085 and attr rmsd > 2.985) 6 6 0 peak 3126 ppm1 4.872 ppm2 3.035 volume 0.2724 assi ((( attr rmsd < 4.783) and (attr rmsd > 4.683)) and bondedto(attr rmsd < 41.716 and attr rmsd > 40.716)) ( attr rmsd < 3.073 and attr rmsd > 2.973) 6 6 0 peak 3127 ppm1 4.733 ppm2 3.023 volume 0.1953 assi ((( attr rmsd < 3.121) and (attr rmsd > 3.021)) and bondedto(attr rmsd < 41.657 and attr rmsd > 40.657)) ( attr rmsd < 3.229 and attr rmsd > 3.129) 6 6 0 peak 3128 ppm1 3.071 ppm2 3.179 volume 0.4319 assi ((( attr rmsd < 3.111) and (attr rmsd > 3.011)) and bondedto(attr rmsd < 41.556 and attr rmsd > 40.556)) ( attr rmsd < 3.008 and attr rmsd > 2.908) 6 6 0 peak 3129 ppm1 3.061 ppm2 2.958 volume 1.9506 assi ((( attr rmsd < 3.075) and (attr rmsd > 2.975)) and bondedto(attr rmsd < 41.689 and attr rmsd > 40.689)) ( attr rmsd < 3.188 and attr rmsd > 3.088) 6 6 0 peak 3130 ppm1 3.025 ppm2 3.138 volume 0.7861 assi ((( attr rmsd < 3.066) and (attr rmsd > 2.966)) and bondedto(attr rmsd < 41.640 and attr rmsd > 40.640)) ( attr rmsd < 0.618 and attr rmsd > 0.518) 6 6 0 peak 3131 ppm1 3.016 ppm2 0.568 volume 0.1719 assi ((( attr rmsd < 0.932) and (attr rmsd > 0.832)) and bondedto(attr rmsd < 41.720 and attr rmsd > 40.720)) ( attr rmsd < 1.165 and attr rmsd > 1.065) 6 6 0 peak 3132 ppm1 0.882 ppm2 1.115 volume 0.1942 assi ((( attr rmsd < 0.594) and (attr rmsd > 0.494)) and bondedto(attr rmsd < 41.654 and attr rmsd > 40.654)) ( attr rmsd < 0.493 and attr rmsd > 0.393) 6 6 0 peak 3133 ppm1 0.544 ppm2 0.443 volume 1.2212 assi ((( attr rmsd < 0.587) and (attr rmsd > 0.487)) and bondedto(attr rmsd < 41.659 and attr rmsd > 40.659)) ( attr rmsd < 0.364 and attr rmsd > 0.264) 6 6 0 peak 3134 ppm1 0.537 ppm2 0.314 volume 0.5372 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 41.651 and attr rmsd > 40.651)) ( attr rmsd < 0.242 and attr rmsd > 0.142) 6 6 0 peak 3135 ppm1 0.540 ppm2 0.192 volume 0.4269 assi ((( attr rmsd < 0.587) and (attr rmsd > 0.487)) and bondedto(attr rmsd < 41.648 and attr rmsd > 40.648)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 3136 ppm1 0.537 ppm2 -0.011 volume 0.4986 assi ((( attr rmsd < 0.261) and (attr rmsd > 0.161)) and bondedto(attr rmsd < 41.555 and attr rmsd > 40.555)) ( attr rmsd < 0.269 and attr rmsd > 0.169) 6 6 0 peak 3137 ppm1 0.211 ppm2 0.219 volume 0.1481 assi ((( attr rmsd < 4.941) and (attr rmsd > 4.841)) and bondedto(attr rmsd < 65.143 and attr rmsd > 64.143)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 13138 ppm1 4.891 ppm2 2.017 volume 0.1502 assi ((( attr rmsd < 4.941) and (attr rmsd > 4.841)) and bondedto(attr rmsd < 17.623 and attr rmsd > 16.623)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 23138 ppm1 4.891 ppm2 2.017 volume 0.1502 assi ((( attr rmsd < 3.562) and (attr rmsd > 3.462)) and bondedto(attr rmsd < 65.174 and attr rmsd > 64.174)) ( attr rmsd < 1.480 and attr rmsd > 1.380) 6 6 0 peak 13139 ppm1 3.512 ppm2 1.430 volume 0.4970 assi ((( attr rmsd < 3.562) and (attr rmsd > 3.462)) and bondedto(attr rmsd < 17.654 and attr rmsd > 16.654)) ( attr rmsd < 1.480 and attr rmsd > 1.380) 6 6 0 peak 23139 ppm1 3.512 ppm2 1.430 volume 0.4970 assi ((( attr rmsd < 3.554) and (attr rmsd > 3.454)) and bondedto(attr rmsd < 65.165 and attr rmsd > 64.165)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 13140 ppm1 3.504 ppm2 4.772 volume 0.2353 assi ((( attr rmsd < 3.554) and (attr rmsd > 3.454)) and bondedto(attr rmsd < 17.645 and attr rmsd > 16.645)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 23140 ppm1 3.504 ppm2 4.772 volume 0.2353 assi ((( attr rmsd < 3.556) and (attr rmsd > 3.456)) and bondedto(attr rmsd < 65.149 and attr rmsd > 64.149)) ( attr rmsd < 4.244 and attr rmsd > 4.144) 6 6 0 peak 13141 ppm1 3.506 ppm2 4.194 volume 0.8212 assi ((( attr rmsd < 3.556) and (attr rmsd > 3.456)) and bondedto(attr rmsd < 17.629 and attr rmsd > 16.629)) ( attr rmsd < 4.244 and attr rmsd > 4.144) 6 6 0 peak 23141 ppm1 3.506 ppm2 4.194 volume 0.8212 assi ((( attr rmsd < 3.559) and (attr rmsd > 3.459)) and bondedto(attr rmsd < 65.159 and attr rmsd > 64.159)) ( attr rmsd < 3.562 and attr rmsd > 3.462) 6 6 0 peak 13142 ppm1 3.509 ppm2 3.512 volume 3.6059 assi ((( attr rmsd < 3.559) and (attr rmsd > 3.459)) and bondedto(attr rmsd < 17.639 and attr rmsd > 16.639)) ( attr rmsd < 3.562 and attr rmsd > 3.462) 6 6 0 peak 23142 ppm1 3.509 ppm2 3.512 volume 3.6059 assi ((( attr rmsd < 3.557) and (attr rmsd > 3.457)) and bondedto(attr rmsd < 65.152 and attr rmsd > 64.152)) ( attr rmsd < 1.259 and attr rmsd > 1.159) 6 6 0 peak 13143 ppm1 3.507 ppm2 1.209 volume 0.8446 assi ((( attr rmsd < 3.557) and (attr rmsd > 3.457)) and bondedto(attr rmsd < 17.632 and attr rmsd > 16.632)) ( attr rmsd < 1.259 and attr rmsd > 1.159) 6 6 0 peak 23143 ppm1 3.507 ppm2 1.209 volume 0.8446 assi ((( attr rmsd < 3.557) and (attr rmsd > 3.457)) and bondedto(attr rmsd < 65.153 and attr rmsd > 64.153)) ( attr rmsd < 0.555 and attr rmsd > 0.455) 6 6 0 peak 13144 ppm1 3.507 ppm2 0.505 volume 0.6002 assi ((( attr rmsd < 3.557) and (attr rmsd > 3.457)) and bondedto(attr rmsd < 17.633 and attr rmsd > 16.633)) ( attr rmsd < 0.555 and attr rmsd > 0.455) 6 6 0 peak 23144 ppm1 3.507 ppm2 0.505 volume 0.6002 assi ((( attr rmsd < 3.343) and (attr rmsd > 3.243)) and bondedto(attr rmsd < 65.182 and attr rmsd > 64.182)) ( attr rmsd < 3.348 and attr rmsd > 3.248) 6 6 0 peak 13145 ppm1 3.293 ppm2 3.298 volume 0.2256 assi ((( attr rmsd < 3.343) and (attr rmsd > 3.243)) and bondedto(attr rmsd < 17.662 and attr rmsd > 16.662)) ( attr rmsd < 3.348 and attr rmsd > 3.248) 6 6 0 peak 23145 ppm1 3.293 ppm2 3.298 volume 0.2256 assi ((( attr rmsd < 2.857) and (attr rmsd > 2.757)) and bondedto(attr rmsd < 65.179 and attr rmsd > 64.179)) ( attr rmsd < 2.854 and attr rmsd > 2.754) 6 6 0 peak 13146 ppm1 2.807 ppm2 2.804 volume 0.5224 assi ((( attr rmsd < 2.857) and (attr rmsd > 2.757)) and bondedto(attr rmsd < 17.659 and attr rmsd > 16.659)) ( attr rmsd < 2.854 and attr rmsd > 2.754) 6 6 0 peak 23146 ppm1 2.807 ppm2 2.804 volume 0.5224 assi ((( attr rmsd < 2.849) and (attr rmsd > 2.749)) and bondedto(attr rmsd < 65.186 and attr rmsd > 64.186)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13147 ppm1 2.799 ppm2 4.776 volume 0.1448 assi ((( attr rmsd < 2.849) and (attr rmsd > 2.749)) and bondedto(attr rmsd < 17.666 and attr rmsd > 16.666)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23147 ppm1 2.799 ppm2 4.776 volume 0.1448 assi ((( attr rmsd < 2.852) and (attr rmsd > 2.752)) and bondedto(attr rmsd < 65.145 and attr rmsd > 64.145)) ( attr rmsd < 2.592 and attr rmsd > 2.492) 6 6 0 peak 13148 ppm1 2.802 ppm2 2.542 volume 0.1783 assi ((( attr rmsd < 2.852) and (attr rmsd > 2.752)) and bondedto(attr rmsd < 17.625 and attr rmsd > 16.625)) ( attr rmsd < 2.592 and attr rmsd > 2.492) 6 6 0 peak 23148 ppm1 2.802 ppm2 2.542 volume 0.1783 assi ((( attr rmsd < 2.592) and (attr rmsd > 2.492)) and bondedto(attr rmsd < 65.161 and attr rmsd > 64.161)) ( attr rmsd < 2.864 and attr rmsd > 2.764) 6 6 0 peak 13149 ppm1 2.542 ppm2 2.814 volume 0.2114 assi ((( attr rmsd < 2.592) and (attr rmsd > 2.492)) and bondedto(attr rmsd < 17.641 and attr rmsd > 16.641)) ( attr rmsd < 2.864 and attr rmsd > 2.764) 6 6 0 peak 23149 ppm1 2.542 ppm2 2.814 volume 0.2114 assi ((( attr rmsd < 1.715) and (attr rmsd > 1.615)) and bondedto(attr rmsd < 65.111 and attr rmsd > 64.111)) ( attr rmsd < 3.021 and attr rmsd > 2.921) 6 6 0 peak 13150 ppm1 1.665 ppm2 2.971 volume 0.2306 assi ((( attr rmsd < 1.715) and (attr rmsd > 1.615)) and bondedto(attr rmsd < 17.591 and attr rmsd > 16.591)) ( attr rmsd < 3.021 and attr rmsd > 2.921) 6 6 0 peak 23150 ppm1 1.665 ppm2 2.971 volume 0.2306 assi ((( attr rmsd < 1.507) and (attr rmsd > 1.407)) and bondedto(attr rmsd < 65.184 and attr rmsd > 64.184)) ( attr rmsd < 1.402 and attr rmsd > 1.302) 6 6 0 peak 13151 ppm1 1.457 ppm2 1.352 volume 0.1801 assi ((( attr rmsd < 1.507) and (attr rmsd > 1.407)) and bondedto(attr rmsd < 17.664 and attr rmsd > 16.664)) ( attr rmsd < 1.402 and attr rmsd > 1.302) 6 6 0 peak 23151 ppm1 1.457 ppm2 1.352 volume 0.1801 assi ((( attr rmsd < 1.001) and (attr rmsd > 0.901)) and bondedto(attr rmsd < 65.121 and attr rmsd > 64.121)) ( attr rmsd < 3.839 and attr rmsd > 3.739) 6 6 0 peak 13152 ppm1 0.951 ppm2 3.789 volume 0.1463 assi ((( attr rmsd < 1.001) and (attr rmsd > 0.901)) and bondedto(attr rmsd < 17.601 and attr rmsd > 16.601)) ( attr rmsd < 3.839 and attr rmsd > 3.739) 6 6 0 peak 23152 ppm1 0.951 ppm2 3.789 volume 0.1463 assi ((( attr rmsd < 0.985) and (attr rmsd > 0.885)) and bondedto(attr rmsd < 65.215 and attr rmsd > 64.215)) ( attr rmsd < 1.345 and attr rmsd > 1.245) 6 6 0 peak 13153 ppm1 0.935 ppm2 1.295 volume 0.6512 assi ((( attr rmsd < 0.985) and (attr rmsd > 0.885)) and bondedto(attr rmsd < 17.695 and attr rmsd > 16.695)) ( attr rmsd < 1.345 and attr rmsd > 1.245) 6 6 0 peak 23153 ppm1 0.935 ppm2 1.295 volume 0.6512 assi ((( attr rmsd < 4.229) and (attr rmsd > 4.129)) and bondedto(attr rmsd < 41.358 and attr rmsd > 40.358)) ( attr rmsd < 4.229 and attr rmsd > 4.129) 6 6 0 peak 3154 ppm1 4.179 ppm2 4.179 volume 0.2821 assi ((( attr rmsd < 4.144) and (attr rmsd > 4.044)) and bondedto(attr rmsd < 41.417 and attr rmsd > 40.417)) ( attr rmsd < 4.156 and attr rmsd > 4.056) 6 6 0 peak 3155 ppm1 4.094 ppm2 4.106 volume 0.2357 assi ((( attr rmsd < 3.717) and (attr rmsd > 3.617)) and bondedto(attr rmsd < 41.441 and attr rmsd > 40.441)) ( attr rmsd < 2.169 and attr rmsd > 2.069) 6 6 0 peak 3156 ppm1 3.667 ppm2 2.119 volume 0.1522 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 41.460 and attr rmsd > 40.460)) ( attr rmsd < 2.167 and attr rmsd > 2.067) 6 6 0 peak 3157 ppm1 3.581 ppm2 2.117 volume 0.1531 assi ((( attr rmsd < 3.554) and (attr rmsd > 3.454)) and bondedto(attr rmsd < 41.384 and attr rmsd > 40.384)) ( attr rmsd < 3.441 and attr rmsd > 3.341) 6 6 0 peak 3158 ppm1 3.504 ppm2 3.391 volume 0.1855 assi ((( attr rmsd < 3.077) and (attr rmsd > 2.977)) and bondedto(attr rmsd < 41.403 and attr rmsd > 40.403)) ( attr rmsd < 2.168 and attr rmsd > 2.068) 6 6 0 peak 3159 ppm1 3.027 ppm2 2.118 volume 0.2238 assi ((( attr rmsd < 2.670) and (attr rmsd > 2.570)) and bondedto(attr rmsd < 41.351 and attr rmsd > 40.351)) ( attr rmsd < 2.677 and attr rmsd > 2.577) 6 6 0 peak 3160 ppm1 2.620 ppm2 2.627 volume 0.9085 assi ((( attr rmsd < 1.513) and (attr rmsd > 1.413)) and bondedto(attr rmsd < 41.444 and attr rmsd > 40.444)) ( attr rmsd < 3.889 and attr rmsd > 3.789) 6 6 0 peak 3161 ppm1 1.463 ppm2 3.839 volume 0.1574 assi ((( attr rmsd < 1.515) and (attr rmsd > 1.415)) and bondedto(attr rmsd < 41.396 and attr rmsd > 40.396)) ( attr rmsd < 1.516 and attr rmsd > 1.416) 6 6 0 peak 3162 ppm1 1.465 ppm2 1.466 volume 2.0216 assi ((( attr rmsd < 1.013) and (attr rmsd > 0.913)) and bondedto(attr rmsd < 41.352 and attr rmsd > 40.352)) ( attr rmsd < 1.113 and attr rmsd > 1.013) 6 6 0 peak 3163 ppm1 0.963 ppm2 1.063 volume 0.3189 assi ((( attr rmsd < 5.497) and (attr rmsd > 5.397)) and bondedto(attr rmsd < 64.977 and attr rmsd > 63.977)) ( attr rmsd < 4.588 and attr rmsd > 4.488) 6 6 0 peak 13164 ppm1 5.447 ppm2 4.538 volume 0.1608 assi ((( attr rmsd < 5.497) and (attr rmsd > 5.397)) and bondedto(attr rmsd < 17.457 and attr rmsd > 16.457)) ( attr rmsd < 4.588 and attr rmsd > 4.488) 6 6 0 peak 23164 ppm1 5.447 ppm2 4.538 volume 0.1608 assi ((( attr rmsd < 5.461) and (attr rmsd > 5.361)) and bondedto(attr rmsd < 65.012 and attr rmsd > 64.012)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 13165 ppm1 5.411 ppm2 4.535 volume 0.1468 assi ((( attr rmsd < 5.461) and (attr rmsd > 5.361)) and bondedto(attr rmsd < 17.492 and attr rmsd > 16.492)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 23165 ppm1 5.411 ppm2 4.535 volume 0.1468 assi ((( attr rmsd < 5.389) and (attr rmsd > 5.289)) and bondedto(attr rmsd < 64.983 and attr rmsd > 63.983)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 13166 ppm1 5.339 ppm2 4.535 volume 0.1806 assi ((( attr rmsd < 5.389) and (attr rmsd > 5.289)) and bondedto(attr rmsd < 17.463 and attr rmsd > 16.463)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 23166 ppm1 5.339 ppm2 4.535 volume 0.1806 assi ((( attr rmsd < 5.336) and (attr rmsd > 5.236)) and bondedto(attr rmsd < 65.017 and attr rmsd > 64.017)) ( attr rmsd < 4.586 and attr rmsd > 4.486) 6 6 0 peak 13167 ppm1 5.286 ppm2 4.536 volume 0.1951 assi ((( attr rmsd < 5.336) and (attr rmsd > 5.236)) and bondedto(attr rmsd < 17.497 and attr rmsd > 16.497)) ( attr rmsd < 4.586 and attr rmsd > 4.486) 6 6 0 peak 23167 ppm1 5.286 ppm2 4.536 volume 0.1951 assi ((( attr rmsd < 5.223) and (attr rmsd > 5.123)) and bondedto(attr rmsd < 64.964 and attr rmsd > 63.964)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 13168 ppm1 5.173 ppm2 4.535 volume 0.2519 assi ((( attr rmsd < 5.223) and (attr rmsd > 5.123)) and bondedto(attr rmsd < 17.444 and attr rmsd > 16.444)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 23168 ppm1 5.173 ppm2 4.535 volume 0.2519 assi ((( attr rmsd < 5.194) and (attr rmsd > 5.094)) and bondedto(attr rmsd < 65.028 and attr rmsd > 64.028)) ( attr rmsd < 4.583 and attr rmsd > 4.483) 6 6 0 peak 13169 ppm1 5.144 ppm2 4.533 volume 0.2564 assi ((( attr rmsd < 5.194) and (attr rmsd > 5.094)) and bondedto(attr rmsd < 17.508 and attr rmsd > 16.508)) ( attr rmsd < 4.583 and attr rmsd > 4.483) 6 6 0 peak 23169 ppm1 5.144 ppm2 4.533 volume 0.2564 assi ((( attr rmsd < 5.144) and (attr rmsd > 5.044)) and bondedto(attr rmsd < 65.003 and attr rmsd > 64.003)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 13170 ppm1 5.094 ppm2 4.535 volume 0.2829 assi ((( attr rmsd < 5.144) and (attr rmsd > 5.044)) and bondedto(attr rmsd < 17.483 and attr rmsd > 16.483)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 23170 ppm1 5.094 ppm2 4.535 volume 0.2829 assi ((( attr rmsd < 5.100) and (attr rmsd > 5.000)) and bondedto(attr rmsd < 65.009 and attr rmsd > 64.009)) ( attr rmsd < 4.586 and attr rmsd > 4.486) 6 6 0 peak 13171 ppm1 5.050 ppm2 4.536 volume 0.3507 assi ((( attr rmsd < 5.100) and (attr rmsd > 5.000)) and bondedto(attr rmsd < 17.489 and attr rmsd > 16.489)) ( attr rmsd < 4.586 and attr rmsd > 4.486) 6 6 0 peak 23171 ppm1 5.050 ppm2 4.536 volume 0.3507 assi ((( attr rmsd < 4.991) and (attr rmsd > 4.891)) and bondedto(attr rmsd < 64.993 and attr rmsd > 63.993)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 13172 ppm1 4.941 ppm2 4.535 volume 0.5502 assi ((( attr rmsd < 4.991) and (attr rmsd > 4.891)) and bondedto(attr rmsd < 17.473 and attr rmsd > 16.473)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 23172 ppm1 4.941 ppm2 4.535 volume 0.5502 assi ((( attr rmsd < 4.945) and (attr rmsd > 4.845)) and bondedto(attr rmsd < 65.004 and attr rmsd > 64.004)) ( attr rmsd < 4.584 and attr rmsd > 4.484) 6 6 0 peak 13173 ppm1 4.895 ppm2 4.534 volume 0.6242 assi ((( attr rmsd < 4.945) and (attr rmsd > 4.845)) and bondedto(attr rmsd < 17.484 and attr rmsd > 16.484)) ( attr rmsd < 4.584 and attr rmsd > 4.484) 6 6 0 peak 23173 ppm1 4.895 ppm2 4.534 volume 0.6242 assi ((( attr rmsd < 4.914) and (attr rmsd > 4.814)) and bondedto(attr rmsd < 65.000 and attr rmsd > 64.000)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 13174 ppm1 4.864 ppm2 4.535 volume 0.8158 assi ((( attr rmsd < 4.914) and (attr rmsd > 4.814)) and bondedto(attr rmsd < 17.480 and attr rmsd > 16.480)) ( attr rmsd < 4.585 and attr rmsd > 4.485) 6 6 0 peak 23174 ppm1 4.864 ppm2 4.535 volume 0.8158 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 65.012 and attr rmsd > 64.012)) ( attr rmsd < 2.066 and attr rmsd > 1.966) 6 6 0 peak 13175 ppm1 4.855 ppm2 2.016 volume 0.1963 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 17.492 and attr rmsd > 16.492)) ( attr rmsd < 2.066 and attr rmsd > 1.966) 6 6 0 peak 23175 ppm1 4.855 ppm2 2.016 volume 0.1963 assi ((( attr rmsd < 4.833) and (attr rmsd > 4.733)) and bondedto(attr rmsd < 64.996 and attr rmsd > 63.996)) ( attr rmsd < 4.584 and attr rmsd > 4.484) 6 6 0 peak 13176 ppm1 4.783 ppm2 4.534 volume 0.2623 assi ((( attr rmsd < 4.833) and (attr rmsd > 4.733)) and bondedto(attr rmsd < 17.476 and attr rmsd > 16.476)) ( attr rmsd < 4.584 and attr rmsd > 4.484) 6 6 0 peak 23176 ppm1 4.783 ppm2 4.534 volume 0.2623 assi ((( attr rmsd < 4.836) and (attr rmsd > 4.736)) and bondedto(attr rmsd < 65.043 and attr rmsd > 64.043)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 13177 ppm1 4.786 ppm2 2.018 volume 0.2555 assi ((( attr rmsd < 4.836) and (attr rmsd > 4.736)) and bondedto(attr rmsd < 17.523 and attr rmsd > 16.523)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 23177 ppm1 4.786 ppm2 2.018 volume 0.2555 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 64.998 and attr rmsd > 63.998)) ( attr rmsd < 4.584 and attr rmsd > 4.484) 6 6 0 peak 13178 ppm1 4.731 ppm2 4.534 volume 0.3602 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 17.478 and attr rmsd > 16.478)) ( attr rmsd < 4.584 and attr rmsd > 4.484) 6 6 0 peak 23178 ppm1 4.731 ppm2 4.534 volume 0.3602 assi ((( attr rmsd < 4.772) and (attr rmsd > 4.672)) and bondedto(attr rmsd < 65.025 and attr rmsd > 64.025)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 13179 ppm1 4.722 ppm2 2.017 volume 0.2085 assi ((( attr rmsd < 4.772) and (attr rmsd > 4.672)) and bondedto(attr rmsd < 17.505 and attr rmsd > 16.505)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 23179 ppm1 4.722 ppm2 2.017 volume 0.2085 assi ((( attr rmsd < 4.584) and (attr rmsd > 4.484)) and bondedto(attr rmsd < 65.076 and attr rmsd > 64.076)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13180 ppm1 4.534 ppm2 4.776 volume 0.1763 assi ((( attr rmsd < 4.584) and (attr rmsd > 4.484)) and bondedto(attr rmsd < 17.556 and attr rmsd > 16.556)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23180 ppm1 4.534 ppm2 4.776 volume 0.1763 assi ((( attr rmsd < 4.579) and (attr rmsd > 4.479)) and bondedto(attr rmsd < 65.004 and attr rmsd > 64.004)) ( attr rmsd < 4.587 and attr rmsd > 4.487) 6 6 0 peak 13181 ppm1 4.529 ppm2 4.537 volume 6.1290 assi ((( attr rmsd < 4.579) and (attr rmsd > 4.479)) and bondedto(attr rmsd < 17.484 and attr rmsd > 16.484)) ( attr rmsd < 4.587 and attr rmsd > 4.487) 6 6 0 peak 23181 ppm1 4.529 ppm2 4.537 volume 6.1290 assi ((( attr rmsd < 4.580) and (attr rmsd > 4.480)) and bondedto(attr rmsd < 64.999 and attr rmsd > 63.999)) ( attr rmsd < 2.545 and attr rmsd > 2.445) 6 6 0 peak 13182 ppm1 4.530 ppm2 2.495 volume 0.8689 assi ((( attr rmsd < 4.580) and (attr rmsd > 4.480)) and bondedto(attr rmsd < 17.479 and attr rmsd > 16.479)) ( attr rmsd < 2.545 and attr rmsd > 2.445) 6 6 0 peak 23182 ppm1 4.530 ppm2 2.495 volume 0.8689 assi ((( attr rmsd < 4.580) and (attr rmsd > 4.480)) and bondedto(attr rmsd < 65.013 and attr rmsd > 64.013)) ( attr rmsd < 2.079 and attr rmsd > 1.979) 6 6 0 peak 13183 ppm1 4.530 ppm2 2.029 volume 0.6856 assi ((( attr rmsd < 4.580) and (attr rmsd > 4.480)) and bondedto(attr rmsd < 17.493 and attr rmsd > 16.493)) ( attr rmsd < 2.079 and attr rmsd > 1.979) 6 6 0 peak 23183 ppm1 4.530 ppm2 2.029 volume 0.6856 assi ((( attr rmsd < 3.409) and (attr rmsd > 3.309)) and bondedto(attr rmsd < 65.060 and attr rmsd > 64.060)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 13184 ppm1 3.359 ppm2 2.116 volume 0.2028 assi ((( attr rmsd < 3.409) and (attr rmsd > 3.309)) and bondedto(attr rmsd < 17.540 and attr rmsd > 16.540)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 23184 ppm1 3.359 ppm2 2.116 volume 0.2028 assi ((( attr rmsd < 3.275) and (attr rmsd > 3.175)) and bondedto(attr rmsd < 64.968 and attr rmsd > 63.968)) ( attr rmsd < 3.275 and attr rmsd > 3.175) 6 6 0 peak 13185 ppm1 3.225 ppm2 3.225 volume 0.4615 assi ((( attr rmsd < 3.275) and (attr rmsd > 3.175)) and bondedto(attr rmsd < 17.448 and attr rmsd > 16.448)) ( attr rmsd < 3.275 and attr rmsd > 3.175) 6 6 0 peak 23185 ppm1 3.225 ppm2 3.225 volume 0.4615 assi ((( attr rmsd < 2.588) and (attr rmsd > 2.488)) and bondedto(attr rmsd < 65.039 and attr rmsd > 64.039)) ( attr rmsd < 2.168 and attr rmsd > 2.068) 6 6 0 peak 13186 ppm1 2.538 ppm2 2.118 volume 0.4998 assi ((( attr rmsd < 2.588) and (attr rmsd > 2.488)) and bondedto(attr rmsd < 17.519 and attr rmsd > 16.519)) ( attr rmsd < 2.168 and attr rmsd > 2.068) 6 6 0 peak 23186 ppm1 2.538 ppm2 2.118 volume 0.4998 assi ((( attr rmsd < 2.315) and (attr rmsd > 2.215)) and bondedto(attr rmsd < 64.952 and attr rmsd > 63.952)) ( attr rmsd < 0.995 and attr rmsd > 0.895) 6 6 0 peak 13187 ppm1 2.265 ppm2 0.945 volume 0.1511 assi ((( attr rmsd < 2.315) and (attr rmsd > 2.215)) and bondedto(attr rmsd < 17.432 and attr rmsd > 16.432)) ( attr rmsd < 0.995 and attr rmsd > 0.895) 6 6 0 peak 23187 ppm1 2.265 ppm2 0.945 volume 0.1511 assi ((( attr rmsd < 2.210) and (attr rmsd > 2.110)) and bondedto(attr rmsd < 65.055 and attr rmsd > 64.055)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 13188 ppm1 2.160 ppm2 2.017 volume 0.6274 assi ((( attr rmsd < 2.210) and (attr rmsd > 2.110)) and bondedto(attr rmsd < 17.535 and attr rmsd > 16.535)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 23188 ppm1 2.160 ppm2 2.017 volume 0.6274 assi ((( attr rmsd < 2.171) and (attr rmsd > 2.071)) and bondedto(attr rmsd < 65.057 and attr rmsd > 64.057)) ( attr rmsd < 2.327 and attr rmsd > 2.227) 6 6 0 peak 13189 ppm1 2.121 ppm2 2.277 volume 1.2493 assi ((( attr rmsd < 2.171) and (attr rmsd > 2.071)) and bondedto(attr rmsd < 17.537 and attr rmsd > 16.537)) ( attr rmsd < 2.327 and attr rmsd > 2.227) 6 6 0 peak 23189 ppm1 2.121 ppm2 2.277 volume 1.2493 assi ((( attr rmsd < 2.160) and (attr rmsd > 2.060)) and bondedto(attr rmsd < 65.040 and attr rmsd > 64.040)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 13190 ppm1 2.110 ppm2 2.110 volume 116.6963 assi ((( attr rmsd < 2.160) and (attr rmsd > 2.060)) and bondedto(attr rmsd < 17.520 and attr rmsd > 16.520)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 23190 ppm1 2.110 ppm2 2.110 volume 116.6963 assi ((( attr rmsd < 2.138) and (attr rmsd > 2.038)) and bondedto(attr rmsd < 65.038 and attr rmsd > 64.038)) ( attr rmsd < 2.289 and attr rmsd > 2.189) 6 6 0 peak 13191 ppm1 2.088 ppm2 2.239 volume 0.9831 assi ((( attr rmsd < 2.138) and (attr rmsd > 2.038)) and bondedto(attr rmsd < 17.518 and attr rmsd > 16.518)) ( attr rmsd < 2.289 and attr rmsd > 2.189) 6 6 0 peak 23191 ppm1 2.088 ppm2 2.239 volume 0.9831 assi ((( attr rmsd < 2.084) and (attr rmsd > 1.984)) and bondedto(attr rmsd < 65.045 and attr rmsd > 64.045)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 13192 ppm1 2.034 ppm2 2.018 volume 0.4154 assi ((( attr rmsd < 2.084) and (attr rmsd > 1.984)) and bondedto(attr rmsd < 17.525 and attr rmsd > 16.525)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 23192 ppm1 2.034 ppm2 2.018 volume 0.4154 assi ((( attr rmsd < 2.051) and (attr rmsd > 1.951)) and bondedto(attr rmsd < 65.059 and attr rmsd > 64.059)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 13193 ppm1 2.001 ppm2 2.017 volume 0.2362 assi ((( attr rmsd < 2.051) and (attr rmsd > 1.951)) and bondedto(attr rmsd < 17.539 and attr rmsd > 16.539)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 23193 ppm1 2.001 ppm2 2.017 volume 0.2362 assi ((( attr rmsd < 1.734) and (attr rmsd > 1.634)) and bondedto(attr rmsd < 65.049 and attr rmsd > 64.049)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 13194 ppm1 1.684 ppm2 2.111 volume 0.5224 assi ((( attr rmsd < 1.734) and (attr rmsd > 1.634)) and bondedto(attr rmsd < 17.529 and attr rmsd > 16.529)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 23194 ppm1 1.684 ppm2 2.111 volume 0.5224 assi ((( attr rmsd < 1.573) and (attr rmsd > 1.473)) and bondedto(attr rmsd < 64.997 and attr rmsd > 63.997)) ( attr rmsd < 1.474 and attr rmsd > 1.374) 6 6 0 peak 13195 ppm1 1.523 ppm2 1.424 volume 0.2970 assi ((( attr rmsd < 1.573) and (attr rmsd > 1.473)) and bondedto(attr rmsd < 17.477 and attr rmsd > 16.477)) ( attr rmsd < 1.474 and attr rmsd > 1.374) 6 6 0 peak 23195 ppm1 1.523 ppm2 1.424 volume 0.2970 assi ((( attr rmsd < 1.548) and (attr rmsd > 1.448)) and bondedto(attr rmsd < 64.989 and attr rmsd > 63.989)) ( attr rmsd < 1.441 and attr rmsd > 1.341) 6 6 0 peak 13196 ppm1 1.498 ppm2 1.391 volume 0.2813 assi ((( attr rmsd < 1.548) and (attr rmsd > 1.448)) and bondedto(attr rmsd < 17.469 and attr rmsd > 16.469)) ( attr rmsd < 1.441 and attr rmsd > 1.341) 6 6 0 peak 23196 ppm1 1.498 ppm2 1.391 volume 0.2813 assi ((( attr rmsd < 0.994) and (attr rmsd > 0.894)) and bondedto(attr rmsd < 65.085 and attr rmsd > 64.085)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 13197 ppm1 0.944 ppm2 4.617 volume 1.2049 assi ((( attr rmsd < 0.994) and (attr rmsd > 0.894)) and bondedto(attr rmsd < 17.565 and attr rmsd > 16.565)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 23197 ppm1 0.944 ppm2 4.617 volume 1.2049 assi ((( attr rmsd < 0.992) and (attr rmsd > 0.892)) and bondedto(attr rmsd < 65.084 and attr rmsd > 64.084)) ( attr rmsd < 2.752 and attr rmsd > 2.652) 6 6 0 peak 13198 ppm1 0.942 ppm2 2.702 volume 0.2157 assi ((( attr rmsd < 0.992) and (attr rmsd > 0.892)) and bondedto(attr rmsd < 17.564 and attr rmsd > 16.564)) ( attr rmsd < 2.752 and attr rmsd > 2.652) 6 6 0 peak 23198 ppm1 0.942 ppm2 2.702 volume 0.2157 assi ((( attr rmsd < 0.993) and (attr rmsd > 0.893)) and bondedto(attr rmsd < 65.065 and attr rmsd > 64.065)) ( attr rmsd < 2.325 and attr rmsd > 2.225) 6 6 0 peak 13199 ppm1 0.943 ppm2 2.275 volume 1.2814 assi ((( attr rmsd < 0.993) and (attr rmsd > 0.893)) and bondedto(attr rmsd < 17.545 and attr rmsd > 16.545)) ( attr rmsd < 2.325 and attr rmsd > 2.225) 6 6 0 peak 23199 ppm1 0.943 ppm2 2.275 volume 1.2814 assi ((( attr rmsd < 0.991) and (attr rmsd > 0.891)) and bondedto(attr rmsd < 65.088 and attr rmsd > 64.088)) ( attr rmsd < 1.580 and attr rmsd > 1.480) 6 6 0 peak 13200 ppm1 0.941 ppm2 1.530 volume 0.5421 assi ((( attr rmsd < 0.991) and (attr rmsd > 0.891)) and bondedto(attr rmsd < 17.568 and attr rmsd > 16.568)) ( attr rmsd < 1.580 and attr rmsd > 1.480) 6 6 0 peak 23200 ppm1 0.941 ppm2 1.530 volume 0.5421 assi ((( attr rmsd < 0.994) and (attr rmsd > 0.894)) and bondedto(attr rmsd < 65.040 and attr rmsd > 64.040)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 13201 ppm1 0.944 ppm2 0.693 volume 1.3252 assi ((( attr rmsd < 0.994) and (attr rmsd > 0.894)) and bondedto(attr rmsd < 17.520 and attr rmsd > 16.520)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 23201 ppm1 0.944 ppm2 0.693 volume 1.3252 assi ((( attr rmsd < 0.913) and (attr rmsd > 0.813)) and bondedto(attr rmsd < 65.051 and attr rmsd > 64.051)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 13202 ppm1 0.863 ppm2 2.116 volume 0.2119 assi ((( attr rmsd < 0.913) and (attr rmsd > 0.813)) and bondedto(attr rmsd < 17.531 and attr rmsd > 16.531)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 23202 ppm1 0.863 ppm2 2.116 volume 0.2119 assi ((( attr rmsd < 0.789) and (attr rmsd > 0.689)) and bondedto(attr rmsd < 64.963 and attr rmsd > 63.963)) ( attr rmsd < 0.695 and attr rmsd > 0.595) 6 6 0 peak 13203 ppm1 0.739 ppm2 0.645 volume 0.1466 assi ((( attr rmsd < 0.789) and (attr rmsd > 0.689)) and bondedto(attr rmsd < 17.443 and attr rmsd > 16.443)) ( attr rmsd < 0.695 and attr rmsd > 0.595) 6 6 0 peak 23203 ppm1 0.739 ppm2 0.645 volume 0.1466 assi ((( attr rmsd < 5.019) and (attr rmsd > 4.919)) and bondedto(attr rmsd < 41.280 and attr rmsd > 40.280)) ( attr rmsd < 2.165 and attr rmsd > 2.065) 6 6 0 peak 3204 ppm1 4.969 ppm2 2.115 volume 0.3141 assi ((( attr rmsd < 4.973) and (attr rmsd > 4.873)) and bondedto(attr rmsd < 41.293 and attr rmsd > 40.293)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 3205 ppm1 4.923 ppm2 2.116 volume 0.3658 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 41.280 and attr rmsd > 40.280)) ( attr rmsd < 2.165 and attr rmsd > 2.065) 6 6 0 peak 3206 ppm1 4.851 ppm2 2.115 volume 0.9228 assi ((( attr rmsd < 4.836) and (attr rmsd > 4.736)) and bondedto(attr rmsd < 41.282 and attr rmsd > 40.282)) ( attr rmsd < 2.164 and attr rmsd > 2.064) 6 6 0 peak 3207 ppm1 4.786 ppm2 2.114 volume 1.5309 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 41.282 and attr rmsd > 40.282)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 3208 ppm1 4.710 ppm2 2.112 volume 1.4751 assi ((( attr rmsd < 4.737) and (attr rmsd > 4.637)) and bondedto(attr rmsd < 41.252 and attr rmsd > 40.252)) ( attr rmsd < 4.586 and attr rmsd > 4.486) 6 6 0 peak 3209 ppm1 4.687 ppm2 4.536 volume 0.8695 assi ((( attr rmsd < 4.699) and (attr rmsd > 4.599)) and bondedto(attr rmsd < 41.239 and attr rmsd > 40.239)) ( attr rmsd < 4.587 and attr rmsd > 4.487) 6 6 0 peak 3210 ppm1 4.649 ppm2 4.537 volume 0.6682 assi ((( attr rmsd < 4.672) and (attr rmsd > 4.572)) and bondedto(attr rmsd < 41.281 and attr rmsd > 40.281)) ( attr rmsd < 2.165 and attr rmsd > 2.065) 6 6 0 peak 3211 ppm1 4.622 ppm2 2.115 volume 0.3095 assi ((( attr rmsd < 4.573) and (attr rmsd > 4.473)) and bondedto(attr rmsd < 41.241 and attr rmsd > 40.241)) ( attr rmsd < 4.461 and attr rmsd > 4.361) 6 6 0 peak 3212 ppm1 4.523 ppm2 4.411 volume 0.3930 assi ((( attr rmsd < 4.508) and (attr rmsd > 4.408)) and bondedto(attr rmsd < 41.298 and attr rmsd > 40.298)) ( attr rmsd < 2.167 and attr rmsd > 2.067) 6 6 0 peak 3213 ppm1 4.458 ppm2 2.117 volume 0.2100 assi ((( attr rmsd < 4.465) and (attr rmsd > 4.365)) and bondedto(attr rmsd < 41.293 and attr rmsd > 40.293)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 3214 ppm1 4.415 ppm2 2.116 volume 0.2060 assi ((( attr rmsd < 4.223) and (attr rmsd > 4.123)) and bondedto(attr rmsd < 41.274 and attr rmsd > 40.274)) ( attr rmsd < 2.166 and attr rmsd > 2.066) 6 6 0 peak 3215 ppm1 4.173 ppm2 2.116 volume 0.4151 assi ((( attr rmsd < 4.008) and (attr rmsd > 3.908)) and bondedto(attr rmsd < 41.282 and attr rmsd > 40.282)) ( attr rmsd < 2.164 and attr rmsd > 2.064) 6 6 0 peak 3216 ppm1 3.958 ppm2 2.114 volume 0.2027 assi ((( attr rmsd < 3.909) and (attr rmsd > 3.809)) and bondedto(attr rmsd < 41.273 and attr rmsd > 40.273)) ( attr rmsd < 3.906 and attr rmsd > 3.806) 6 6 0 peak 3217 ppm1 3.859 ppm2 3.856 volume 0.7326 assi ((( attr rmsd < 3.838) and (attr rmsd > 3.738)) and bondedto(attr rmsd < 41.288 and attr rmsd > 40.288)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 3218 ppm1 3.788 ppm2 2.112 volume 0.3942 assi ((( attr rmsd < 3.118) and (attr rmsd > 3.018)) and bondedto(attr rmsd < 41.203 and attr rmsd > 40.203)) ( attr rmsd < 4.948 and attr rmsd > 4.848) 6 6 0 peak 3219 ppm1 3.068 ppm2 4.898 volume 0.3377 assi ((( attr rmsd < 3.001) and (attr rmsd > 2.901)) and bondedto(attr rmsd < 41.206 and attr rmsd > 40.206)) ( attr rmsd < 3.130 and attr rmsd > 3.030) 6 6 0 peak 3220 ppm1 2.951 ppm2 3.080 volume 1.7789 assi ((( attr rmsd < 3.006) and (attr rmsd > 2.906)) and bondedto(attr rmsd < 41.283 and attr rmsd > 40.283)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 3221 ppm1 2.956 ppm2 2.111 volume 0.4212 assi ((( attr rmsd < 2.994) and (attr rmsd > 2.894)) and bondedto(attr rmsd < 41.216 and attr rmsd > 40.216)) ( attr rmsd < 4.945 and attr rmsd > 4.845) 6 6 0 peak 3222 ppm1 2.944 ppm2 4.895 volume 0.3374 assi ((( attr rmsd < 2.805) and (attr rmsd > 2.705)) and bondedto(attr rmsd < 41.284 and attr rmsd > 40.284)) ( attr rmsd < 2.157 and attr rmsd > 2.057) 6 6 0 peak 3223 ppm1 2.755 ppm2 2.107 volume 0.1497 assi ((( attr rmsd < 2.158) and (attr rmsd > 2.058)) and bondedto(attr rmsd < 41.279 and attr rmsd > 40.279)) ( attr rmsd < 2.393 and attr rmsd > 2.293) 6 6 0 peak 3224 ppm1 2.108 ppm2 2.343 volume 0.1978 assi ((( attr rmsd < 2.153) and (attr rmsd > 2.053)) and bondedto(attr rmsd < 41.279 and attr rmsd > 40.279)) ( attr rmsd < 2.250 and attr rmsd > 2.150) 6 6 0 peak 3225 ppm1 2.103 ppm2 2.200 volume 8.1526 assi ((( attr rmsd < 2.159) and (attr rmsd > 2.059)) and bondedto(attr rmsd < 41.280 and attr rmsd > 40.280)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 3226 ppm1 2.109 ppm2 2.017 volume 17.6882 assi ((( attr rmsd < 2.105) and (attr rmsd > 2.005)) and bondedto(attr rmsd < 41.272 and attr rmsd > 40.272)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 3227 ppm1 2.055 ppm2 2.112 volume 3.2611 assi ((( attr rmsd < 2.082) and (attr rmsd > 1.982)) and bondedto(attr rmsd < 41.280 and attr rmsd > 40.280)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 3228 ppm1 2.032 ppm2 2.108 volume 1.5013 assi ((( attr rmsd < 2.049) and (attr rmsd > 1.949)) and bondedto(attr rmsd < 41.286 and attr rmsd > 40.286)) ( attr rmsd < 2.159 and attr rmsd > 2.059) 6 6 0 peak 3229 ppm1 1.999 ppm2 2.109 volume 0.8700 assi ((( attr rmsd < 1.559) and (attr rmsd > 1.459)) and bondedto(attr rmsd < 41.245 and attr rmsd > 40.245)) ( attr rmsd < 4.132 and attr rmsd > 4.032) 6 6 0 peak 3230 ppm1 1.509 ppm2 4.082 volume 0.1800 assi ((( attr rmsd < 1.562) and (attr rmsd > 1.462)) and bondedto(attr rmsd < 41.243 and attr rmsd > 40.243)) ( attr rmsd < 1.565 and attr rmsd > 1.465) 6 6 0 peak 3231 ppm1 1.512 ppm2 1.515 volume 4.5669 assi ((( attr rmsd < 1.313) and (attr rmsd > 1.213)) and bondedto(attr rmsd < 41.269 and attr rmsd > 40.269)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 3232 ppm1 1.263 ppm2 2.111 volume 0.3476 assi ((( attr rmsd < 1.281) and (attr rmsd > 1.181)) and bondedto(attr rmsd < 41.284 and attr rmsd > 40.284)) ( attr rmsd < 1.286 and attr rmsd > 1.186) 6 6 0 peak 3233 ppm1 1.231 ppm2 1.236 volume 0.1580 assi ((( attr rmsd < 1.005) and (attr rmsd > 0.905)) and bondedto(attr rmsd < 41.274 and attr rmsd > 40.274)) ( attr rmsd < 2.164 and attr rmsd > 2.064) 6 6 0 peak 3234 ppm1 0.955 ppm2 2.114 volume 0.2466 assi ((( attr rmsd < 0.969) and (attr rmsd > 0.869)) and bondedto(attr rmsd < 41.257 and attr rmsd > 40.257)) ( attr rmsd < 2.163 and attr rmsd > 2.063) 6 6 0 peak 3235 ppm1 0.919 ppm2 2.113 volume 0.2368 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 41.228 and attr rmsd > 40.228)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 3236 ppm1 0.754 ppm2 0.763 volume 0.6264 assi ((( attr rmsd < 0.483) and (attr rmsd > 0.383)) and bondedto(attr rmsd < 41.283 and attr rmsd > 40.283)) ( attr rmsd < 2.165 and attr rmsd > 2.065) 6 6 0 peak 3237 ppm1 0.433 ppm2 2.115 volume 0.3439 assi ((( attr rmsd < 0.102) and (attr rmsd > 0.002)) and bondedto(attr rmsd < 41.285 and attr rmsd > 40.285)) ( attr rmsd < 2.167 and attr rmsd > 2.067) 6 6 0 peak 3238 ppm1 0.052 ppm2 2.117 volume 0.3910 assi ((( attr rmsd < 4.186) and (attr rmsd > 4.086)) and bondedto(attr rmsd < 64.809 and attr rmsd > 63.809)) ( attr rmsd < 4.185 and attr rmsd > 4.085) 6 6 0 peak 13239 ppm1 4.136 ppm2 4.135 volume 0.2611 assi ((( attr rmsd < 4.186) and (attr rmsd > 4.086)) and bondedto(attr rmsd < 17.289 and attr rmsd > 16.289)) ( attr rmsd < 4.185 and attr rmsd > 4.085) 6 6 0 peak 23239 ppm1 4.136 ppm2 4.135 volume 0.2611 assi ((( attr rmsd < 3.777) and (attr rmsd > 3.677)) and bondedto(attr rmsd < 64.766 and attr rmsd > 63.766)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 13240 ppm1 3.727 ppm2 3.591 volume 0.4107 assi ((( attr rmsd < 3.777) and (attr rmsd > 3.677)) and bondedto(attr rmsd < 17.246 and attr rmsd > 16.246)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 23240 ppm1 3.727 ppm2 3.591 volume 0.4107 assi ((( attr rmsd < 3.734) and (attr rmsd > 3.634)) and bondedto(attr rmsd < 64.779 and attr rmsd > 63.779)) ( attr rmsd < 3.557 and attr rmsd > 3.457) 6 6 0 peak 13241 ppm1 3.684 ppm2 3.507 volume 0.4778 assi ((( attr rmsd < 3.734) and (attr rmsd > 3.634)) and bondedto(attr rmsd < 17.259 and attr rmsd > 16.259)) ( attr rmsd < 3.557 and attr rmsd > 3.457) 6 6 0 peak 23241 ppm1 3.684 ppm2 3.507 volume 0.4778 assi ((( attr rmsd < 3.642) and (attr rmsd > 3.542)) and bondedto(attr rmsd < 64.789 and attr rmsd > 63.789)) ( attr rmsd < 3.533 and attr rmsd > 3.433) 6 6 0 peak 13242 ppm1 3.592 ppm2 3.483 volume 0.2317 assi ((( attr rmsd < 3.642) and (attr rmsd > 3.542)) and bondedto(attr rmsd < 17.269 and attr rmsd > 16.269)) ( attr rmsd < 3.533 and attr rmsd > 3.433) 6 6 0 peak 23242 ppm1 3.592 ppm2 3.483 volume 0.2317 assi ((( attr rmsd < 3.629) and (attr rmsd > 3.529)) and bondedto(attr rmsd < 64.767 and attr rmsd > 63.767)) ( attr rmsd < 3.815 and attr rmsd > 3.715) 6 6 0 peak 13243 ppm1 3.579 ppm2 3.765 volume 0.2103 assi ((( attr rmsd < 3.629) and (attr rmsd > 3.529)) and bondedto(attr rmsd < 17.247 and attr rmsd > 16.247)) ( attr rmsd < 3.815 and attr rmsd > 3.715) 6 6 0 peak 23243 ppm1 3.579 ppm2 3.765 volume 0.2103 assi ((( attr rmsd < 3.585) and (attr rmsd > 3.485)) and bondedto(attr rmsd < 64.771 and attr rmsd > 63.771)) ( attr rmsd < 3.722 and attr rmsd > 3.622) 6 6 0 peak 13244 ppm1 3.535 ppm2 3.672 volume 0.3882 assi ((( attr rmsd < 3.585) and (attr rmsd > 3.485)) and bondedto(attr rmsd < 17.251 and attr rmsd > 16.251)) ( attr rmsd < 3.722 and attr rmsd > 3.622) 6 6 0 peak 23244 ppm1 3.535 ppm2 3.672 volume 0.3882 assi ((( attr rmsd < 0.946) and (attr rmsd > 0.846)) and bondedto(attr rmsd < 64.771 and attr rmsd > 63.771)) ( attr rmsd < 0.850 and attr rmsd > 0.750) 6 6 0 peak 13245 ppm1 0.896 ppm2 0.800 volume 1.1045 assi ((( attr rmsd < 0.946) and (attr rmsd > 0.846)) and bondedto(attr rmsd < 17.251 and attr rmsd > 16.251)) ( attr rmsd < 0.850 and attr rmsd > 0.750) 6 6 0 peak 23245 ppm1 0.896 ppm2 0.800 volume 1.1045 assi ((( attr rmsd < 4.747) and (attr rmsd > 4.647)) and bondedto(attr rmsd < 41.007 and attr rmsd > 40.007)) ( attr rmsd < 3.653 and attr rmsd > 3.553) 6 6 0 peak 3246 ppm1 4.697 ppm2 3.603 volume 0.1530 assi ((( attr rmsd < 4.727) and (attr rmsd > 4.627)) and bondedto(attr rmsd < 41.061 and attr rmsd > 40.061)) ( attr rmsd < 4.749 and attr rmsd > 4.649) 6 6 0 peak 3247 ppm1 4.677 ppm2 4.699 volume 0.1947 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 41.018 and attr rmsd > 40.018)) ( attr rmsd < 3.643 and attr rmsd > 3.543) 6 6 0 peak 3248 ppm1 3.677 ppm2 3.593 volume 3.4107 assi ((( attr rmsd < 3.657) and (attr rmsd > 3.557)) and bondedto(attr rmsd < 41.013 and attr rmsd > 40.013)) ( attr rmsd < 3.644 and attr rmsd > 3.544) 6 6 0 peak 3249 ppm1 3.607 ppm2 3.594 volume 1.2552 assi ((( attr rmsd < 3.637) and (attr rmsd > 3.537)) and bondedto(attr rmsd < 41.015 and attr rmsd > 40.015)) ( attr rmsd < 3.721 and attr rmsd > 3.621) 6 6 0 peak 3250 ppm1 3.587 ppm2 3.671 volume 2.8300 assi ((( attr rmsd < 3.232) and (attr rmsd > 3.132)) and bondedto(attr rmsd < 41.109 and attr rmsd > 40.109)) ( attr rmsd < 3.121 and attr rmsd > 3.021) 6 6 0 peak 3251 ppm1 3.182 ppm2 3.071 volume 0.1695 assi ((( attr rmsd < 3.116) and (attr rmsd > 3.016)) and bondedto(attr rmsd < 41.074 and attr rmsd > 40.074)) ( attr rmsd < 3.089 and attr rmsd > 2.989) 6 6 0 peak 3252 ppm1 3.066 ppm2 3.039 volume 1.4174 assi ((( attr rmsd < 2.985) and (attr rmsd > 2.885)) and bondedto(attr rmsd < 41.133 and attr rmsd > 40.133)) ( attr rmsd < 2.985 and attr rmsd > 2.885) 6 6 0 peak 3253 ppm1 2.935 ppm2 2.935 volume 0.9376 assi ((( attr rmsd < 2.786) and (attr rmsd > 2.686)) and bondedto(attr rmsd < 41.045 and attr rmsd > 40.045)) ( attr rmsd < 2.783 and attr rmsd > 2.683) 6 6 0 peak 3254 ppm1 2.736 ppm2 2.733 volume 0.1618 assi ((( attr rmsd < 0.940) and (attr rmsd > 0.840)) and bondedto(attr rmsd < 41.022 and attr rmsd > 40.022)) ( attr rmsd < 1.917 and attr rmsd > 1.817) 6 6 0 peak 3255 ppm1 0.890 ppm2 1.867 volume 0.1611 assi ((( attr rmsd < 0.936) and (attr rmsd > 0.836)) and bondedto(attr rmsd < 40.990 and attr rmsd > 39.990)) ( attr rmsd < 1.238 and attr rmsd > 1.138) 6 6 0 peak 3256 ppm1 0.886 ppm2 1.188 volume 0.1675 assi ((( attr rmsd < 0.941) and (attr rmsd > 0.841)) and bondedto(attr rmsd < 41.000 and attr rmsd > 40.000)) ( attr rmsd < 0.938 and attr rmsd > 0.838) 6 6 0 peak 3257 ppm1 0.891 ppm2 0.888 volume 8.7170 assi ((( attr rmsd < 0.872) and (attr rmsd > 0.772)) and bondedto(attr rmsd < 40.985 and attr rmsd > 39.985)) ( attr rmsd < 0.874 and attr rmsd > 0.774) 6 6 0 peak 3258 ppm1 0.822 ppm2 0.824 volume 2.4881 assi ((( attr rmsd < 3.133) and (attr rmsd > 3.033)) and bondedto(attr rmsd < 64.587 and attr rmsd > 63.587)) ( attr rmsd < 3.148 and attr rmsd > 3.048) 6 6 0 peak 13259 ppm1 3.083 ppm2 3.098 volume 0.2553 assi ((( attr rmsd < 3.133) and (attr rmsd > 3.033)) and bondedto(attr rmsd < 17.067 and attr rmsd > 16.067)) ( attr rmsd < 3.148 and attr rmsd > 3.048) 6 6 0 peak 23259 ppm1 3.083 ppm2 3.098 volume 0.2553 assi ((( attr rmsd < 3.060) and (attr rmsd > 2.960)) and bondedto(attr rmsd < 64.657 and attr rmsd > 63.657)) ( attr rmsd < 3.062 and attr rmsd > 2.962) 6 6 0 peak 13260 ppm1 3.010 ppm2 3.012 volume 4.6340 assi ((( attr rmsd < 3.060) and (attr rmsd > 2.960)) and bondedto(attr rmsd < 17.137 and attr rmsd > 16.137)) ( attr rmsd < 3.062 and attr rmsd > 2.962) 6 6 0 peak 23260 ppm1 3.010 ppm2 3.012 volume 4.6340 assi ((( attr rmsd < 1.671) and (attr rmsd > 1.571)) and bondedto(attr rmsd < 64.664 and attr rmsd > 63.664)) ( attr rmsd < 1.564 and attr rmsd > 1.464) 6 6 0 peak 13261 ppm1 1.621 ppm2 1.514 volume 0.1628 assi ((( attr rmsd < 1.671) and (attr rmsd > 1.571)) and bondedto(attr rmsd < 17.144 and attr rmsd > 16.144)) ( attr rmsd < 1.564 and attr rmsd > 1.464) 6 6 0 peak 23261 ppm1 1.621 ppm2 1.514 volume 0.1628 assi ((( attr rmsd < 0.884) and (attr rmsd > 0.784)) and bondedto(attr rmsd < 64.619 and attr rmsd > 63.619)) ( attr rmsd < 0.656 and attr rmsd > 0.556) 6 6 0 peak 13262 ppm1 0.834 ppm2 0.606 volume 0.1583 assi ((( attr rmsd < 0.884) and (attr rmsd > 0.784)) and bondedto(attr rmsd < 17.099 and attr rmsd > 16.099)) ( attr rmsd < 0.656 and attr rmsd > 0.556) 6 6 0 peak 23262 ppm1 0.834 ppm2 0.606 volume 0.1583 assi ((( attr rmsd < 3.069) and (attr rmsd > 2.969)) and bondedto(attr rmsd < 40.903 and attr rmsd > 39.903)) ( attr rmsd < 2.969 and attr rmsd > 2.869) 6 6 0 peak 3263 ppm1 3.019 ppm2 2.919 volume 0.9200 assi ((( attr rmsd < 1.820) and (attr rmsd > 1.720)) and bondedto(attr rmsd < 40.817 and attr rmsd > 39.817)) ( attr rmsd < 0.709 and attr rmsd > 0.609) 6 6 0 peak 3264 ppm1 1.770 ppm2 0.659 volume 0.2578 assi ((( attr rmsd < 0.594) and (attr rmsd > 0.494)) and bondedto(attr rmsd < 40.794 and attr rmsd > 39.794)) ( attr rmsd < 1.676 and attr rmsd > 1.576) 6 6 0 peak 3265 ppm1 0.544 ppm2 1.626 volume 0.1464 assi ((( attr rmsd < 0.592) and (attr rmsd > 0.492)) and bondedto(attr rmsd < 40.794 and attr rmsd > 39.794)) ( attr rmsd < 0.594 and attr rmsd > 0.494) 6 6 0 peak 3266 ppm1 0.542 ppm2 0.544 volume 1.5492 assi ((( attr rmsd < 0.429) and (attr rmsd > 0.329)) and bondedto(attr rmsd < 40.888 and attr rmsd > 39.888)) ( attr rmsd < 0.436 and attr rmsd > 0.336) 6 6 0 peak 3267 ppm1 0.379 ppm2 0.386 volume 0.2721 assi ((( attr rmsd < 4.941) and (attr rmsd > 4.841)) and bondedto(attr rmsd < 64.430 and attr rmsd > 63.430)) ( attr rmsd < 4.386 and attr rmsd > 4.286) 6 6 0 peak 13268 ppm1 4.891 ppm2 4.336 volume 0.2402 assi ((( attr rmsd < 4.941) and (attr rmsd > 4.841)) and bondedto(attr rmsd < 16.910 and attr rmsd > 15.910)) ( attr rmsd < 4.386 and attr rmsd > 4.286) 6 6 0 peak 23268 ppm1 4.891 ppm2 4.336 volume 0.2402 assi ((( attr rmsd < 4.903) and (attr rmsd > 4.803)) and bondedto(attr rmsd < 64.449 and attr rmsd > 63.449)) ( attr rmsd < 4.386 and attr rmsd > 4.286) 6 6 0 peak 13269 ppm1 4.853 ppm2 4.336 volume 0.3770 assi ((( attr rmsd < 4.903) and (attr rmsd > 4.803)) and bondedto(attr rmsd < 16.929 and attr rmsd > 15.929)) ( attr rmsd < 4.386 and attr rmsd > 4.286) 6 6 0 peak 23269 ppm1 4.853 ppm2 4.336 volume 0.3770 assi ((( attr rmsd < 4.824) and (attr rmsd > 4.724)) and bondedto(attr rmsd < 64.443 and attr rmsd > 63.443)) ( attr rmsd < 4.385 and attr rmsd > 4.285) 6 6 0 peak 13270 ppm1 4.774 ppm2 4.335 volume 0.1772 assi ((( attr rmsd < 4.824) and (attr rmsd > 4.724)) and bondedto(attr rmsd < 16.923 and attr rmsd > 15.923)) ( attr rmsd < 4.385 and attr rmsd > 4.285) 6 6 0 peak 23270 ppm1 4.774 ppm2 4.335 volume 0.1772 assi ((( attr rmsd < 4.772) and (attr rmsd > 4.672)) and bondedto(attr rmsd < 64.449 and attr rmsd > 63.449)) ( attr rmsd < 4.387 and attr rmsd > 4.287) 6 6 0 peak 13271 ppm1 4.722 ppm2 4.337 volume 0.2502 assi ((( attr rmsd < 4.772) and (attr rmsd > 4.672)) and bondedto(attr rmsd < 16.929 and attr rmsd > 15.929)) ( attr rmsd < 4.387 and attr rmsd > 4.287) 6 6 0 peak 23271 ppm1 4.722 ppm2 4.337 volume 0.2502 assi ((( attr rmsd < 4.380) and (attr rmsd > 4.280)) and bondedto(attr rmsd < 64.449 and attr rmsd > 63.449)) ( attr rmsd < 5.062 and attr rmsd > 4.962) 6 6 0 peak 13272 ppm1 4.330 ppm2 5.012 volume 0.7550 assi ((( attr rmsd < 4.380) and (attr rmsd > 4.280)) and bondedto(attr rmsd < 16.929 and attr rmsd > 15.929)) ( attr rmsd < 5.062 and attr rmsd > 4.962) 6 6 0 peak 23272 ppm1 4.330 ppm2 5.012 volume 0.7550 assi ((( attr rmsd < 4.378) and (attr rmsd > 4.278)) and bondedto(attr rmsd < 64.459 and attr rmsd > 63.459)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13273 ppm1 4.328 ppm2 4.775 volume 0.6559 assi ((( attr rmsd < 4.378) and (attr rmsd > 4.278)) and bondedto(attr rmsd < 16.939 and attr rmsd > 15.939)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23273 ppm1 4.328 ppm2 4.775 volume 0.6559 assi ((( attr rmsd < 4.381) and (attr rmsd > 4.281)) and bondedto(attr rmsd < 64.457 and attr rmsd > 63.457)) ( attr rmsd < 4.386 and attr rmsd > 4.286) 6 6 0 peak 13274 ppm1 4.331 ppm2 4.336 volume 2.5018 assi ((( attr rmsd < 4.381) and (attr rmsd > 4.281)) and bondedto(attr rmsd < 16.937 and attr rmsd > 15.937)) ( attr rmsd < 4.386 and attr rmsd > 4.286) 6 6 0 peak 23274 ppm1 4.331 ppm2 4.336 volume 2.5018 assi ((( attr rmsd < 4.382) and (attr rmsd > 4.282)) and bondedto(attr rmsd < 64.456 and attr rmsd > 63.456)) ( attr rmsd < 3.946 and attr rmsd > 3.846) 6 6 0 peak 13275 ppm1 4.332 ppm2 3.896 volume 2.1300 assi ((( attr rmsd < 4.382) and (attr rmsd > 4.282)) and bondedto(attr rmsd < 16.936 and attr rmsd > 15.936)) ( attr rmsd < 3.946 and attr rmsd > 3.846) 6 6 0 peak 23275 ppm1 4.332 ppm2 3.896 volume 2.1300 assi ((( attr rmsd < 3.927) and (attr rmsd > 3.827)) and bondedto(attr rmsd < 64.433 and attr rmsd > 63.433)) ( attr rmsd < 5.063 and attr rmsd > 4.963) 6 6 0 peak 13276 ppm1 3.877 ppm2 5.013 volume 0.6882 assi ((( attr rmsd < 3.927) and (attr rmsd > 3.827)) and bondedto(attr rmsd < 16.913 and attr rmsd > 15.913)) ( attr rmsd < 5.063 and attr rmsd > 4.963) 6 6 0 peak 23276 ppm1 3.877 ppm2 5.013 volume 0.6882 assi ((( attr rmsd < 3.928) and (attr rmsd > 3.828)) and bondedto(attr rmsd < 64.457 and attr rmsd > 63.457)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13277 ppm1 3.878 ppm2 4.774 volume 0.6509 assi ((( attr rmsd < 3.928) and (attr rmsd > 3.828)) and bondedto(attr rmsd < 16.937 and attr rmsd > 15.937)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23277 ppm1 3.878 ppm2 4.774 volume 0.6509 assi ((( attr rmsd < 3.929) and (attr rmsd > 3.829)) and bondedto(attr rmsd < 64.444 and attr rmsd > 63.444)) ( attr rmsd < 4.386 and attr rmsd > 4.286) 6 6 0 peak 13278 ppm1 3.879 ppm2 4.336 volume 1.8574 assi ((( attr rmsd < 3.929) and (attr rmsd > 3.829)) and bondedto(attr rmsd < 16.924 and attr rmsd > 15.924)) ( attr rmsd < 4.386 and attr rmsd > 4.286) 6 6 0 peak 23278 ppm1 3.879 ppm2 4.336 volume 1.8574 assi ((( attr rmsd < 3.840) and (attr rmsd > 3.740)) and bondedto(attr rmsd < 64.522 and attr rmsd > 63.522)) ( attr rmsd < 3.726 and attr rmsd > 3.626) 6 6 0 peak 13279 ppm1 3.790 ppm2 3.676 volume 0.2280 assi ((( attr rmsd < 3.840) and (attr rmsd > 3.740)) and bondedto(attr rmsd < 17.002 and attr rmsd > 16.002)) ( attr rmsd < 3.726 and attr rmsd > 3.626) 6 6 0 peak 23279 ppm1 3.790 ppm2 3.676 volume 0.2280 assi ((( attr rmsd < 3.734) and (attr rmsd > 3.634)) and bondedto(attr rmsd < 64.465 and attr rmsd > 63.465)) ( attr rmsd < 3.841 and attr rmsd > 3.741) 6 6 0 peak 13280 ppm1 3.684 ppm2 3.791 volume 0.2677 assi ((( attr rmsd < 3.734) and (attr rmsd > 3.634)) and bondedto(attr rmsd < 16.945 and attr rmsd > 15.945)) ( attr rmsd < 3.841 and attr rmsd > 3.741) 6 6 0 peak 23280 ppm1 3.684 ppm2 3.791 volume 0.2677 assi ((( attr rmsd < 2.957) and (attr rmsd > 2.857)) and bondedto(attr rmsd < 64.499 and attr rmsd > 63.499)) ( attr rmsd < 2.947 and attr rmsd > 2.847) 6 6 0 peak 13281 ppm1 2.907 ppm2 2.897 volume 0.2205 assi ((( attr rmsd < 2.957) and (attr rmsd > 2.857)) and bondedto(attr rmsd < 16.979 and attr rmsd > 15.979)) ( attr rmsd < 2.947 and attr rmsd > 2.847) 6 6 0 peak 23281 ppm1 2.907 ppm2 2.897 volume 0.2205 assi ((( attr rmsd < 2.581) and (attr rmsd > 2.481)) and bondedto(attr rmsd < 64.405 and attr rmsd > 63.405)) ( attr rmsd < 2.457 and attr rmsd > 2.357) 6 6 0 peak 13282 ppm1 2.531 ppm2 2.407 volume 0.1957 assi ((( attr rmsd < 2.581) and (attr rmsd > 2.481)) and bondedto(attr rmsd < 16.885 and attr rmsd > 15.885)) ( attr rmsd < 2.457 and attr rmsd > 2.357) 6 6 0 peak 23282 ppm1 2.531 ppm2 2.407 volume 0.1957 assi ((( attr rmsd < 4.385) and (attr rmsd > 4.285)) and bondedto(attr rmsd < 40.703 and attr rmsd > 39.703)) ( attr rmsd < 3.825 and attr rmsd > 3.725) 6 6 0 peak 3283 ppm1 4.335 ppm2 3.775 volume 0.1827 assi ((( attr rmsd < 3.093) and (attr rmsd > 2.993)) and bondedto(attr rmsd < 40.603 and attr rmsd > 39.603)) ( attr rmsd < 4.326 and attr rmsd > 4.226) 6 6 0 peak 3284 ppm1 3.043 ppm2 4.276 volume 0.3795 assi ((( attr rmsd < 3.092) and (attr rmsd > 2.992)) and bondedto(attr rmsd < 40.601 and attr rmsd > 39.601)) ( attr rmsd < 2.587 and attr rmsd > 2.487) 6 6 0 peak 3285 ppm1 3.042 ppm2 2.537 volume 2.0542 assi ((( attr rmsd < 1.812) and (attr rmsd > 1.712)) and bondedto(attr rmsd < 40.734 and attr rmsd > 39.734)) ( attr rmsd < 3.889 and attr rmsd > 3.789) 6 6 0 peak 3286 ppm1 1.762 ppm2 3.839 volume 0.3540 assi ((( attr rmsd < 1.763) and (attr rmsd > 1.663)) and bondedto(attr rmsd < 40.684 and attr rmsd > 39.684)) ( attr rmsd < 4.627 and attr rmsd > 4.527) 6 6 0 peak 3287 ppm1 1.713 ppm2 4.577 volume 0.1560 assi ((( attr rmsd < 1.767) and (attr rmsd > 1.667)) and bondedto(attr rmsd < 40.678 and attr rmsd > 39.678)) ( attr rmsd < 2.030 and attr rmsd > 1.930) 6 6 0 peak 3288 ppm1 1.717 ppm2 1.980 volume 0.2657 assi ((( attr rmsd < 1.763) and (attr rmsd > 1.663)) and bondedto(attr rmsd < 40.682 and attr rmsd > 39.682)) ( attr rmsd < 1.768 and attr rmsd > 1.668) 6 6 0 peak 3289 ppm1 1.713 ppm2 1.718 volume 2.0740 assi ((( attr rmsd < 1.758) and (attr rmsd > 1.658)) and bondedto(attr rmsd < 40.699 and attr rmsd > 39.699)) ( attr rmsd < 1.416 and attr rmsd > 1.316) 6 6 0 peak 3290 ppm1 1.708 ppm2 1.366 volume 0.2873 assi ((( attr rmsd < 1.764) and (attr rmsd > 1.664)) and bondedto(attr rmsd < 40.686 and attr rmsd > 39.686)) ( attr rmsd < 0.971 and attr rmsd > 0.871) 6 6 0 peak 3291 ppm1 1.714 ppm2 0.921 volume 0.2474 assi ((( attr rmsd < 1.761) and (attr rmsd > 1.661)) and bondedto(attr rmsd < 40.684 and attr rmsd > 39.684)) ( attr rmsd < 0.821 and attr rmsd > 0.721) 6 6 0 peak 3292 ppm1 1.711 ppm2 0.771 volume 1.2131 assi ((( attr rmsd < 1.680) and (attr rmsd > 1.580)) and bondedto(attr rmsd < 40.750 and attr rmsd > 39.750)) ( attr rmsd < 3.887 and attr rmsd > 3.787) 6 6 0 peak 3293 ppm1 1.630 ppm2 3.837 volume 0.3293 assi ((( attr rmsd < 1.682) and (attr rmsd > 1.582)) and bondedto(attr rmsd < 40.776 and attr rmsd > 39.776)) ( attr rmsd < 1.804 and attr rmsd > 1.704) 6 6 0 peak 3294 ppm1 1.632 ppm2 1.754 volume 1.1584 assi ((( attr rmsd < 1.683) and (attr rmsd > 1.583)) and bondedto(attr rmsd < 40.759 and attr rmsd > 39.759)) ( attr rmsd < 0.865 and attr rmsd > 0.765) 6 6 0 peak 3295 ppm1 1.633 ppm2 0.815 volume 0.4367 assi ((( attr rmsd < 1.677) and (attr rmsd > 1.577)) and bondedto(attr rmsd < 40.746 and attr rmsd > 39.746)) ( attr rmsd < 1.691 and attr rmsd > 1.591) 6 6 0 peak 3296 ppm1 1.627 ppm2 1.641 volume 0.6894 assi ((( attr rmsd < 1.675) and (attr rmsd > 1.575)) and bondedto(attr rmsd < 40.773 and attr rmsd > 39.773)) ( attr rmsd < 0.704 and attr rmsd > 0.604) 6 6 0 peak 3297 ppm1 1.625 ppm2 0.654 volume 0.2765 assi ((( attr rmsd < 5.139) and (attr rmsd > 5.039)) and bondedto(attr rmsd < 64.212 and attr rmsd > 63.212)) ( attr rmsd < 3.922 and attr rmsd > 3.822) 6 6 0 peak 13298 ppm1 5.089 ppm2 3.872 volume 0.1955 assi ((( attr rmsd < 5.139) and (attr rmsd > 5.039)) and bondedto(attr rmsd < 16.692 and attr rmsd > 15.692)) ( attr rmsd < 3.922 and attr rmsd > 3.822) 6 6 0 peak 23298 ppm1 5.089 ppm2 3.872 volume 0.1955 assi ((( attr rmsd < 5.103) and (attr rmsd > 5.003)) and bondedto(attr rmsd < 64.230 and attr rmsd > 63.230)) ( attr rmsd < 3.922 and attr rmsd > 3.822) 6 6 0 peak 13299 ppm1 5.053 ppm2 3.872 volume 0.1997 assi ((( attr rmsd < 5.103) and (attr rmsd > 5.003)) and bondedto(attr rmsd < 16.710 and attr rmsd > 15.710)) ( attr rmsd < 3.922 and attr rmsd > 3.822) 6 6 0 peak 23299 ppm1 5.053 ppm2 3.872 volume 0.1997 assi ((( attr rmsd < 5.051) and (attr rmsd > 4.951)) and bondedto(attr rmsd < 64.232 and attr rmsd > 63.232)) ( attr rmsd < 3.925 and attr rmsd > 3.825) 6 6 0 peak 13300 ppm1 5.001 ppm2 3.875 volume 0.2411 assi ((( attr rmsd < 5.051) and (attr rmsd > 4.951)) and bondedto(attr rmsd < 16.712 and attr rmsd > 15.712)) ( attr rmsd < 3.925 and attr rmsd > 3.825) 6 6 0 peak 23300 ppm1 5.001 ppm2 3.875 volume 0.2411 assi ((( attr rmsd < 4.889) and (attr rmsd > 4.789)) and bondedto(attr rmsd < 64.294 and attr rmsd > 63.294)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13301 ppm1 4.839 ppm2 4.774 volume 0.1797 assi ((( attr rmsd < 4.889) and (attr rmsd > 4.789)) and bondedto(attr rmsd < 16.774 and attr rmsd > 15.774)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23301 ppm1 4.839 ppm2 4.774 volume 0.1797 assi ((( attr rmsd < 4.837) and (attr rmsd > 4.737)) and bondedto(attr rmsd < 64.248 and attr rmsd > 63.248)) ( attr rmsd < 2.163 and attr rmsd > 2.063) 6 6 0 peak 13302 ppm1 4.787 ppm2 2.113 volume 0.2365 assi ((( attr rmsd < 4.837) and (attr rmsd > 4.737)) and bondedto(attr rmsd < 16.728 and attr rmsd > 15.728)) ( attr rmsd < 2.163 and attr rmsd > 2.063) 6 6 0 peak 23302 ppm1 4.787 ppm2 2.113 volume 0.2365 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 64.244 and attr rmsd > 63.244)) ( attr rmsd < 2.165 and attr rmsd > 2.065) 6 6 0 peak 13303 ppm1 4.713 ppm2 2.115 volume 0.2301 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 16.724 and attr rmsd > 15.724)) ( attr rmsd < 2.165 and attr rmsd > 2.065) 6 6 0 peak 23303 ppm1 4.713 ppm2 2.115 volume 0.2301 assi ((( attr rmsd < 3.715) and (attr rmsd > 3.615)) and bondedto(attr rmsd < 64.295 and attr rmsd > 63.295)) ( attr rmsd < 3.726 and attr rmsd > 3.626) 6 6 0 peak 13304 ppm1 3.665 ppm2 3.676 volume 0.2596 assi ((( attr rmsd < 3.715) and (attr rmsd > 3.615)) and bondedto(attr rmsd < 16.775 and attr rmsd > 15.775)) ( attr rmsd < 3.726 and attr rmsd > 3.626) 6 6 0 peak 23304 ppm1 3.665 ppm2 3.676 volume 0.2596 assi ((( attr rmsd < 3.083) and (attr rmsd > 2.983)) and bondedto(attr rmsd < 64.207 and attr rmsd > 63.207)) ( attr rmsd < 2.861 and attr rmsd > 2.761) 6 6 0 peak 13305 ppm1 3.033 ppm2 2.811 volume 0.1590 assi ((( attr rmsd < 3.083) and (attr rmsd > 2.983)) and bondedto(attr rmsd < 16.687 and attr rmsd > 15.687)) ( attr rmsd < 2.861 and attr rmsd > 2.761) 6 6 0 peak 23305 ppm1 3.033 ppm2 2.811 volume 0.1590 assi ((( attr rmsd < 3.088) and (attr rmsd > 2.988)) and bondedto(attr rmsd < 64.352 and attr rmsd > 63.352)) ( attr rmsd < 2.458 and attr rmsd > 2.358) 6 6 0 peak 13306 ppm1 3.038 ppm2 2.408 volume 0.1645 assi ((( attr rmsd < 3.088) and (attr rmsd > 2.988)) and bondedto(attr rmsd < 16.832 and attr rmsd > 15.832)) ( attr rmsd < 2.458 and attr rmsd > 2.358) 6 6 0 peak 23306 ppm1 3.038 ppm2 2.408 volume 0.1645 assi ((( attr rmsd < 2.792) and (attr rmsd > 2.692)) and bondedto(attr rmsd < 64.312 and attr rmsd > 63.312)) ( attr rmsd < 2.799 and attr rmsd > 2.699) 6 6 0 peak 13307 ppm1 2.742 ppm2 2.749 volume 0.3899 assi ((( attr rmsd < 2.792) and (attr rmsd > 2.692)) and bondedto(attr rmsd < 16.792 and attr rmsd > 15.792)) ( attr rmsd < 2.799 and attr rmsd > 2.699) 6 6 0 peak 23307 ppm1 2.742 ppm2 2.749 volume 0.3899 assi ((( attr rmsd < 2.219) and (attr rmsd > 2.119)) and bondedto(attr rmsd < 64.235 and attr rmsd > 63.235)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 13308 ppm1 2.169 ppm2 2.110 volume 0.5673 assi ((( attr rmsd < 2.219) and (attr rmsd > 2.119)) and bondedto(attr rmsd < 16.715 and attr rmsd > 15.715)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 23308 ppm1 2.169 ppm2 2.110 volume 0.5673 assi ((( attr rmsd < 2.181) and (attr rmsd > 2.081)) and bondedto(attr rmsd < 64.260 and attr rmsd > 63.260)) ( attr rmsd < 2.282 and attr rmsd > 2.182) 6 6 0 peak 13309 ppm1 2.131 ppm2 2.232 volume 0.6173 assi ((( attr rmsd < 2.181) and (attr rmsd > 2.081)) and bondedto(attr rmsd < 16.740 and attr rmsd > 15.740)) ( attr rmsd < 2.282 and attr rmsd > 2.182) 6 6 0 peak 23309 ppm1 2.131 ppm2 2.232 volume 0.6173 assi ((( attr rmsd < 2.153) and (attr rmsd > 2.053)) and bondedto(attr rmsd < 64.247 and attr rmsd > 63.247)) ( attr rmsd < 2.250 and attr rmsd > 2.150) 6 6 0 peak 13310 ppm1 2.103 ppm2 2.200 volume 1.3891 assi ((( attr rmsd < 2.153) and (attr rmsd > 2.053)) and bondedto(attr rmsd < 16.727 and attr rmsd > 15.727)) ( attr rmsd < 2.250 and attr rmsd > 2.150) 6 6 0 peak 23310 ppm1 2.103 ppm2 2.200 volume 1.3891 assi ((( attr rmsd < 2.160) and (attr rmsd > 2.060)) and bondedto(attr rmsd < 64.244 and attr rmsd > 63.244)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 13311 ppm1 2.110 ppm2 2.017 volume 2.7439 assi ((( attr rmsd < 2.160) and (attr rmsd > 2.060)) and bondedto(attr rmsd < 16.724 and attr rmsd > 15.724)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 23311 ppm1 2.110 ppm2 2.017 volume 2.7439 assi ((( attr rmsd < 2.154) and (attr rmsd > 2.054)) and bondedto(attr rmsd < 64.252 and attr rmsd > 63.252)) ( attr rmsd < 1.862 and attr rmsd > 1.762) 6 6 0 peak 13312 ppm1 2.104 ppm2 1.812 volume 0.2656 assi ((( attr rmsd < 2.154) and (attr rmsd > 2.054)) and bondedto(attr rmsd < 16.732 and attr rmsd > 15.732)) ( attr rmsd < 1.862 and attr rmsd > 1.762) 6 6 0 peak 23312 ppm1 2.104 ppm2 1.812 volume 0.2656 assi ((( attr rmsd < 2.085) and (attr rmsd > 1.985)) and bondedto(attr rmsd < 64.249 and attr rmsd > 63.249)) ( attr rmsd < 2.154 and attr rmsd > 2.054) 6 6 0 peak 13313 ppm1 2.035 ppm2 2.104 volume 0.2495 assi ((( attr rmsd < 2.085) and (attr rmsd > 1.985)) and bondedto(attr rmsd < 16.729 and attr rmsd > 15.729)) ( attr rmsd < 2.154 and attr rmsd > 2.054) 6 6 0 peak 23313 ppm1 2.035 ppm2 2.104 volume 0.2495 assi ((( attr rmsd < 2.049) and (attr rmsd > 1.949)) and bondedto(attr rmsd < 64.240 and attr rmsd > 63.240)) ( attr rmsd < 2.154 and attr rmsd > 2.054) 6 6 0 peak 13314 ppm1 1.999 ppm2 2.104 volume 0.1447 assi ((( attr rmsd < 2.049) and (attr rmsd > 1.949)) and bondedto(attr rmsd < 16.720 and attr rmsd > 15.720)) ( attr rmsd < 2.154 and attr rmsd > 2.054) 6 6 0 peak 23314 ppm1 1.999 ppm2 2.104 volume 0.1447 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 40.417 and attr rmsd > 39.417)) ( attr rmsd < 3.799 and attr rmsd > 3.699) 6 6 0 peak 3315 ppm1 4.712 ppm2 3.749 volume 0.1557 assi ((( attr rmsd < 3.830) and (attr rmsd > 3.730)) and bondedto(attr rmsd < 40.448 and attr rmsd > 39.448)) ( attr rmsd < 3.927 and attr rmsd > 3.827) 6 6 0 peak 3316 ppm1 3.780 ppm2 3.877 volume 0.8000 assi ((( attr rmsd < 3.103) and (attr rmsd > 3.003)) and bondedto(attr rmsd < 40.460 and attr rmsd > 39.460)) ( attr rmsd < 3.096 and attr rmsd > 2.996) 6 6 0 peak 3317 ppm1 3.053 ppm2 3.046 volume 2.0050 assi ((( attr rmsd < 2.578) and (attr rmsd > 2.478)) and bondedto(attr rmsd < 40.600 and attr rmsd > 39.600)) ( attr rmsd < 4.325 and attr rmsd > 4.225) 6 6 0 peak 3318 ppm1 2.528 ppm2 4.275 volume 0.5087 assi ((( attr rmsd < 2.580) and (attr rmsd > 2.480)) and bondedto(attr rmsd < 40.598 and attr rmsd > 39.598)) ( attr rmsd < 3.097 and attr rmsd > 2.997) 6 6 0 peak 3319 ppm1 2.530 ppm2 3.047 volume 2.2178 assi ((( attr rmsd < 2.580) and (attr rmsd > 2.480)) and bondedto(attr rmsd < 40.599 and attr rmsd > 39.599)) ( attr rmsd < 2.586 and attr rmsd > 2.486) 6 6 0 peak 3320 ppm1 2.530 ppm2 2.536 volume 2.8824 assi ((( attr rmsd < 2.174) and (attr rmsd > 2.074)) and bondedto(attr rmsd < 40.497 and attr rmsd > 39.497)) ( attr rmsd < 2.326 and attr rmsd > 2.226) 6 6 0 peak 3321 ppm1 2.124 ppm2 2.276 volume 0.2640 assi ((( attr rmsd < 2.162) and (attr rmsd > 2.062)) and bondedto(attr rmsd < 40.484 and attr rmsd > 39.484)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 3322 ppm1 2.112 ppm2 2.110 volume 17.7840 assi ((( attr rmsd < 1.562) and (attr rmsd > 1.462)) and bondedto(attr rmsd < 40.448 and attr rmsd > 39.448)) ( attr rmsd < 1.566 and attr rmsd > 1.466) 6 6 0 peak 3323 ppm1 1.512 ppm2 1.516 volume 1.0337 assi ((( attr rmsd < 1.006) and (attr rmsd > 0.906)) and bondedto(attr rmsd < 40.444 and attr rmsd > 39.444)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 3324 ppm1 0.956 ppm2 2.274 volume 0.1799 assi ((( attr rmsd < 1.013) and (attr rmsd > 0.913)) and bondedto(attr rmsd < 40.458 and attr rmsd > 39.458)) ( attr rmsd < 1.600 and attr rmsd > 1.500) 6 6 0 peak 3325 ppm1 0.963 ppm2 1.550 volume 0.1490 assi ((( attr rmsd < 1.005) and (attr rmsd > 0.905)) and bondedto(attr rmsd < 40.453 and attr rmsd > 39.453)) ( attr rmsd < 1.013 and attr rmsd > 0.913) 6 6 0 peak 3326 ppm1 0.955 ppm2 0.963 volume 2.4903 assi ((( attr rmsd < 1.014) and (attr rmsd > 0.914)) and bondedto(attr rmsd < 40.448 and attr rmsd > 39.448)) ( attr rmsd < 0.748 and attr rmsd > 0.648) 6 6 0 peak 3327 ppm1 0.964 ppm2 0.698 volume 0.1892 assi ((( attr rmsd < 0.813) and (attr rmsd > 0.713)) and bondedto(attr rmsd < 40.534 and attr rmsd > 39.534)) ( attr rmsd < 0.820 and attr rmsd > 0.720) 6 6 0 peak 3328 ppm1 0.763 ppm2 0.770 volume 0.6808 assi ((( attr rmsd < 0.730) and (attr rmsd > 0.630)) and bondedto(attr rmsd < 40.512 and attr rmsd > 39.512)) ( attr rmsd < 0.750 and attr rmsd > 0.650) 6 6 0 peak 3329 ppm1 0.680 ppm2 0.700 volume 0.2276 assi ((( attr rmsd < 5.019) and (attr rmsd > 4.919)) and bondedto(attr rmsd < 64.171 and attr rmsd > 63.171)) ( attr rmsd < 3.920 and attr rmsd > 3.820) 6 6 0 peak 13330 ppm1 4.969 ppm2 3.870 volume 0.3105 assi ((( attr rmsd < 5.019) and (attr rmsd > 4.919)) and bondedto(attr rmsd < 16.651 and attr rmsd > 15.651)) ( attr rmsd < 3.920 and attr rmsd > 3.820) 6 6 0 peak 23330 ppm1 4.969 ppm2 3.870 volume 0.3105 assi ((( attr rmsd < 4.894) and (attr rmsd > 4.794)) and bondedto(attr rmsd < 64.155 and attr rmsd > 63.155)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 13331 ppm1 4.844 ppm2 3.866 volume 1.9027 assi ((( attr rmsd < 4.894) and (attr rmsd > 4.794)) and bondedto(attr rmsd < 16.635 and attr rmsd > 15.635)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 23331 ppm1 4.844 ppm2 3.866 volume 1.9027 assi ((( attr rmsd < 4.758) and (attr rmsd > 4.658)) and bondedto(attr rmsd < 64.143 and attr rmsd > 63.143)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 13332 ppm1 4.708 ppm2 3.866 volume 2.2130 assi ((( attr rmsd < 4.758) and (attr rmsd > 4.658)) and bondedto(attr rmsd < 16.623 and attr rmsd > 15.623)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 23332 ppm1 4.708 ppm2 3.866 volume 2.2130 assi ((( attr rmsd < 4.670) and (attr rmsd > 4.570)) and bondedto(attr rmsd < 64.061 and attr rmsd > 63.061)) ( attr rmsd < 3.910 and attr rmsd > 3.810) 6 6 0 peak 13333 ppm1 4.620 ppm2 3.860 volume 0.2468 assi ((( attr rmsd < 4.670) and (attr rmsd > 4.570)) and bondedto(attr rmsd < 16.541 and attr rmsd > 15.541)) ( attr rmsd < 3.910 and attr rmsd > 3.810) 6 6 0 peak 23333 ppm1 4.620 ppm2 3.860 volume 0.2468 assi ((( attr rmsd < 4.564) and (attr rmsd > 4.464)) and bondedto(attr rmsd < 64.145 and attr rmsd > 63.145)) ( attr rmsd < 3.921 and attr rmsd > 3.821) 6 6 0 peak 13334 ppm1 4.514 ppm2 3.871 volume 0.5844 assi ((( attr rmsd < 4.564) and (attr rmsd > 4.464)) and bondedto(attr rmsd < 16.625 and attr rmsd > 15.625)) ( attr rmsd < 3.921 and attr rmsd > 3.821) 6 6 0 peak 23334 ppm1 4.514 ppm2 3.871 volume 0.5844 assi ((( attr rmsd < 3.910) and (attr rmsd > 3.810)) and bondedto(attr rmsd < 64.131 and attr rmsd > 63.131)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 13335 ppm1 3.860 ppm2 3.866 volume 43.6865 assi ((( attr rmsd < 3.910) and (attr rmsd > 3.810)) and bondedto(attr rmsd < 16.611 and attr rmsd > 15.611)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 23335 ppm1 3.860 ppm2 3.866 volume 43.6865 assi ((( attr rmsd < 3.274) and (attr rmsd > 3.174)) and bondedto(attr rmsd < 64.113 and attr rmsd > 63.113)) ( attr rmsd < 3.274 and attr rmsd > 3.174) 6 6 0 peak 13336 ppm1 3.224 ppm2 3.224 volume 0.2364 assi ((( attr rmsd < 3.274) and (attr rmsd > 3.174)) and bondedto(attr rmsd < 16.593 and attr rmsd > 15.593)) ( attr rmsd < 3.274 and attr rmsd > 3.174) 6 6 0 peak 23336 ppm1 3.224 ppm2 3.224 volume 0.2364 assi ((( attr rmsd < 3.096) and (attr rmsd > 2.996)) and bondedto(attr rmsd < 64.064 and attr rmsd > 63.064)) ( attr rmsd < 2.967 and attr rmsd > 2.867) 6 6 0 peak 13337 ppm1 3.046 ppm2 2.917 volume 0.2057 assi ((( attr rmsd < 3.096) and (attr rmsd > 2.996)) and bondedto(attr rmsd < 16.544 and attr rmsd > 15.544)) ( attr rmsd < 2.967 and attr rmsd > 2.867) 6 6 0 peak 23337 ppm1 3.046 ppm2 2.917 volume 0.2057 assi ((( attr rmsd < 0.984) and (attr rmsd > 0.884)) and bondedto(attr rmsd < 64.133 and attr rmsd > 63.133)) ( attr rmsd < 0.888 and attr rmsd > 0.788) 6 6 0 peak 13338 ppm1 0.934 ppm2 0.838 volume 0.3244 assi ((( attr rmsd < 0.984) and (attr rmsd > 0.884)) and bondedto(attr rmsd < 16.613 and attr rmsd > 15.613)) ( attr rmsd < 0.888 and attr rmsd > 0.788) 6 6 0 peak 23338 ppm1 0.934 ppm2 0.838 volume 0.3244 assi ((( attr rmsd < 0.682) and (attr rmsd > 0.582)) and bondedto(attr rmsd < 64.157 and attr rmsd > 63.157)) ( attr rmsd < 0.681 and attr rmsd > 0.581) 6 6 0 peak 13339 ppm1 0.632 ppm2 0.631 volume 0.1455 assi ((( attr rmsd < 0.682) and (attr rmsd > 0.582)) and bondedto(attr rmsd < 16.637 and attr rmsd > 15.637)) ( attr rmsd < 0.681 and attr rmsd > 0.581) 6 6 0 peak 23339 ppm1 0.632 ppm2 0.631 volume 0.1455 assi ((( attr rmsd < 4.604) and (attr rmsd > 4.504)) and bondedto(attr rmsd < 40.403 and attr rmsd > 39.403)) ( attr rmsd < 3.922 and attr rmsd > 3.822) 6 6 0 peak 3340 ppm1 4.554 ppm2 3.872 volume 0.2129 assi ((( attr rmsd < 4.521) and (attr rmsd > 4.421)) and bondedto(attr rmsd < 40.406 and attr rmsd > 39.406)) ( attr rmsd < 3.914 and attr rmsd > 3.814) 6 6 0 peak 3341 ppm1 4.471 ppm2 3.864 volume 0.2601 assi ((( attr rmsd < 3.902) and (attr rmsd > 3.802)) and bondedto(attr rmsd < 40.335 and attr rmsd > 39.335)) ( attr rmsd < 4.014 and attr rmsd > 3.914) 6 6 0 peak 3342 ppm1 3.852 ppm2 3.964 volume 1.4721 assi ((( attr rmsd < 3.590) and (attr rmsd > 3.490)) and bondedto(attr rmsd < 40.360 and attr rmsd > 39.360)) ( attr rmsd < 3.918 and attr rmsd > 3.818) 6 6 0 peak 3343 ppm1 3.540 ppm2 3.868 volume 0.2587 assi ((( attr rmsd < 3.565) and (attr rmsd > 3.465)) and bondedto(attr rmsd < 40.334 and attr rmsd > 39.334)) ( attr rmsd < 3.568 and attr rmsd > 3.468) 6 6 0 peak 3344 ppm1 3.515 ppm2 3.518 volume 0.2885 assi ((( attr rmsd < 3.737) and (attr rmsd > 3.637)) and bondedto(attr rmsd < 63.921 and attr rmsd > 62.921)) ( attr rmsd < 3.557 and attr rmsd > 3.457) 6 6 0 peak 13345 ppm1 3.687 ppm2 3.507 volume 0.1621 assi ((( attr rmsd < 3.737) and (attr rmsd > 3.637)) and bondedto(attr rmsd < 16.401 and attr rmsd > 15.401)) ( attr rmsd < 3.557 and attr rmsd > 3.457) 6 6 0 peak 23345 ppm1 3.687 ppm2 3.507 volume 0.1621 assi ((( attr rmsd < 4.680) and (attr rmsd > 4.580)) and bondedto(attr rmsd < 40.213 and attr rmsd > 39.213)) ( attr rmsd < 4.675 and attr rmsd > 4.575) 6 6 0 peak 3346 ppm1 4.630 ppm2 4.625 volume 0.1648 assi ((( attr rmsd < 4.584) and (attr rmsd > 4.484)) and bondedto(attr rmsd < 40.221 and attr rmsd > 39.221)) ( attr rmsd < 4.587 and attr rmsd > 4.487) 6 6 0 peak 3347 ppm1 4.534 ppm2 4.537 volume 0.3656 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 40.139 and attr rmsd > 39.139)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 3348 ppm1 3.677 ppm2 3.596 volume 0.7907 assi ((( attr rmsd < 3.657) and (attr rmsd > 3.557)) and bondedto(attr rmsd < 40.162 and attr rmsd > 39.162)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 3349 ppm1 3.607 ppm2 3.595 volume 0.3520 assi ((( attr rmsd < 3.637) and (attr rmsd > 3.537)) and bondedto(attr rmsd < 40.130 and attr rmsd > 39.130)) ( attr rmsd < 3.719 and attr rmsd > 3.619) 6 6 0 peak 3350 ppm1 3.587 ppm2 3.669 volume 0.5508 assi ((( attr rmsd < 0.943) and (attr rmsd > 0.843)) and bondedto(attr rmsd < 40.205 and attr rmsd > 39.205)) ( attr rmsd < 0.951 and attr rmsd > 0.851) 6 6 0 peak 3351 ppm1 0.893 ppm2 0.901 volume 2.0905 assi ((( attr rmsd < 3.125) and (attr rmsd > 3.025)) and bondedto(attr rmsd < 63.712 and attr rmsd > 62.712)) ( attr rmsd < 3.137 and attr rmsd > 3.037) 6 6 0 peak 13352 ppm1 3.075 ppm2 3.087 volume 0.7889 assi ((( attr rmsd < 3.125) and (attr rmsd > 3.025)) and bondedto(attr rmsd < 16.192 and attr rmsd > 15.192)) ( attr rmsd < 3.137 and attr rmsd > 3.037) 6 6 0 peak 23352 ppm1 3.075 ppm2 3.087 volume 0.7889 assi ((( attr rmsd < 3.060) and (attr rmsd > 2.960)) and bondedto(attr rmsd < 63.726 and attr rmsd > 62.726)) ( attr rmsd < 3.065 and attr rmsd > 2.965) 6 6 0 peak 13353 ppm1 3.010 ppm2 3.015 volume 1.9210 assi ((( attr rmsd < 3.060) and (attr rmsd > 2.960)) and bondedto(attr rmsd < 16.206 and attr rmsd > 15.206)) ( attr rmsd < 3.065 and attr rmsd > 2.965) 6 6 0 peak 23353 ppm1 3.010 ppm2 3.015 volume 1.9210 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 63.753 and attr rmsd > 62.753)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 13354 ppm1 2.100 ppm2 2.108 volume 0.9234 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 16.233 and attr rmsd > 15.233)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 23354 ppm1 2.100 ppm2 2.108 volume 0.9234 assi ((( attr rmsd < 1.926) and (attr rmsd > 1.826)) and bondedto(attr rmsd < 63.694 and attr rmsd > 62.694)) ( attr rmsd < 1.925 and attr rmsd > 1.825) 6 6 0 peak 13355 ppm1 1.876 ppm2 1.875 volume 0.3135 assi ((( attr rmsd < 1.926) and (attr rmsd > 1.826)) and bondedto(attr rmsd < 16.174 and attr rmsd > 15.174)) ( attr rmsd < 1.925 and attr rmsd > 1.825) 6 6 0 peak 23355 ppm1 1.876 ppm2 1.875 volume 0.3135 assi ((( attr rmsd < 1.823) and (attr rmsd > 1.723)) and bondedto(attr rmsd < 63.746 and attr rmsd > 62.746)) ( attr rmsd < 1.830 and attr rmsd > 1.730) 6 6 0 peak 13356 ppm1 1.773 ppm2 1.780 volume 0.1752 assi ((( attr rmsd < 1.823) and (attr rmsd > 1.723)) and bondedto(attr rmsd < 16.226 and attr rmsd > 15.226)) ( attr rmsd < 1.830 and attr rmsd > 1.730) 6 6 0 peak 23356 ppm1 1.773 ppm2 1.780 volume 0.1752 assi ((( attr rmsd < 1.685) and (attr rmsd > 1.585)) and bondedto(attr rmsd < 63.630 and attr rmsd > 62.630)) ( attr rmsd < 1.679 and attr rmsd > 1.579) 6 6 0 peak 13357 ppm1 1.635 ppm2 1.629 volume 0.1661 assi ((( attr rmsd < 1.685) and (attr rmsd > 1.585)) and bondedto(attr rmsd < 16.110 and attr rmsd > 15.110)) ( attr rmsd < 1.679 and attr rmsd > 1.579) 6 6 0 peak 23357 ppm1 1.635 ppm2 1.629 volume 0.1661 assi ((( attr rmsd < 3.052) and (attr rmsd > 2.952)) and bondedto(attr rmsd < 39.951 and attr rmsd > 38.951)) ( attr rmsd < 2.963 and attr rmsd > 2.863) 6 6 0 peak 3358 ppm1 3.002 ppm2 2.913 volume 0.3184 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 39.978 and attr rmsd > 38.978)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 3359 ppm1 0.540 ppm2 0.545 volume 0.3415 assi ((( attr rmsd < 2.780) and (attr rmsd > 2.680)) and bondedto(attr rmsd < 63.547 and attr rmsd > 62.547)) ( attr rmsd < 2.878 and attr rmsd > 2.778) 6 6 0 peak 13360 ppm1 2.730 ppm2 2.828 volume 0.2096 assi ((( attr rmsd < 2.780) and (attr rmsd > 2.680)) and bondedto(attr rmsd < 16.027 and attr rmsd > 15.027)) ( attr rmsd < 2.878 and attr rmsd > 2.778) 6 6 0 peak 23360 ppm1 2.730 ppm2 2.828 volume 0.2096 assi ((( attr rmsd < 2.788) and (attr rmsd > 2.688)) and bondedto(attr rmsd < 63.532 and attr rmsd > 62.532)) ( attr rmsd < 2.694 and attr rmsd > 2.594) 6 6 0 peak 13361 ppm1 2.738 ppm2 2.644 volume 0.4289 assi ((( attr rmsd < 2.788) and (attr rmsd > 2.688)) and bondedto(attr rmsd < 16.012 and attr rmsd > 15.012)) ( attr rmsd < 2.694 and attr rmsd > 2.594) 6 6 0 peak 23361 ppm1 2.738 ppm2 2.644 volume 0.4289 assi ((( attr rmsd < 4.387) and (attr rmsd > 4.287)) and bondedto(attr rmsd < 39.792 and attr rmsd > 38.792)) ( attr rmsd < 4.391 and attr rmsd > 4.291) 6 6 0 peak 3362 ppm1 4.337 ppm2 4.341 volume 0.2664 assi ((( attr rmsd < 4.387) and (attr rmsd > 4.287)) and bondedto(attr rmsd < 39.805 and attr rmsd > 38.805)) ( attr rmsd < 3.943 and attr rmsd > 3.843) 6 6 0 peak 3363 ppm1 4.337 ppm2 3.893 volume 0.2129 assi ((( attr rmsd < 4.157) and (attr rmsd > 4.057)) and bondedto(attr rmsd < 39.852 and attr rmsd > 38.852)) ( attr rmsd < 4.162 and attr rmsd > 4.062) 6 6 0 peak 3364 ppm1 4.107 ppm2 4.112 volume 0.3626 assi ((( attr rmsd < 3.931) and (attr rmsd > 3.831)) and bondedto(attr rmsd < 39.786 and attr rmsd > 38.786)) ( attr rmsd < 4.389 and attr rmsd > 4.289) 6 6 0 peak 3365 ppm1 3.881 ppm2 4.339 volume 0.1758 assi ((( attr rmsd < 2.788) and (attr rmsd > 2.688)) and bondedto(attr rmsd < 39.769 and attr rmsd > 38.769)) ( attr rmsd < 2.788 and attr rmsd > 2.688) 6 6 0 peak 3366 ppm1 2.738 ppm2 2.738 volume 2.8852 assi ((( attr rmsd < 1.513) and (attr rmsd > 1.413)) and bondedto(attr rmsd < 39.771 and attr rmsd > 38.771)) ( attr rmsd < 1.522 and attr rmsd > 1.422) 6 6 0 peak 3367 ppm1 1.463 ppm2 1.472 volume 0.1781 assi ((( attr rmsd < 1.016) and (attr rmsd > 0.916)) and bondedto(attr rmsd < 39.745 and attr rmsd > 38.745)) ( attr rmsd < 1.158 and attr rmsd > 1.058) 6 6 0 peak 3368 ppm1 0.966 ppm2 1.108 volume 0.1846 assi ((( attr rmsd < 0.812) and (attr rmsd > 0.712)) and bondedto(attr rmsd < 39.799 and attr rmsd > 38.799)) ( attr rmsd < 0.807 and attr rmsd > 0.707) 6 6 0 peak 3369 ppm1 0.762 ppm2 0.757 volume 0.4403 assi ((( attr rmsd < 0.734) and (attr rmsd > 0.634)) and bondedto(attr rmsd < 39.742 and attr rmsd > 38.742)) ( attr rmsd < 0.961 and attr rmsd > 0.861) 6 6 0 peak 3370 ppm1 0.684 ppm2 0.911 volume 0.1519 assi ((( attr rmsd < 0.736) and (attr rmsd > 0.636)) and bondedto(attr rmsd < 39.749 and attr rmsd > 38.749)) ( attr rmsd < 0.742 and attr rmsd > 0.642) 6 6 0 peak 3371 ppm1 0.686 ppm2 0.692 volume 0.9799 assi ((( attr rmsd < 4.456) and (attr rmsd > 4.356)) and bondedto(attr rmsd < 63.421 and attr rmsd > 62.421)) ( attr rmsd < 4.461 and attr rmsd > 4.361) 6 6 0 peak 13372 ppm1 4.406 ppm2 4.411 volume 0.9790 assi ((( attr rmsd < 4.456) and (attr rmsd > 4.356)) and bondedto(attr rmsd < 15.901 and attr rmsd > 14.901)) ( attr rmsd < 4.461 and attr rmsd > 4.361) 6 6 0 peak 23372 ppm1 4.406 ppm2 4.411 volume 0.9790 assi ((( attr rmsd < 3.273) and (attr rmsd > 3.173)) and bondedto(attr rmsd < 63.281 and attr rmsd > 62.281)) ( attr rmsd < 3.276 and attr rmsd > 3.176) 6 6 0 peak 13373 ppm1 3.223 ppm2 3.226 volume 0.1781 assi ((( attr rmsd < 3.273) and (attr rmsd > 3.173)) and bondedto(attr rmsd < 15.761 and attr rmsd > 14.761)) ( attr rmsd < 3.276 and attr rmsd > 3.176) 6 6 0 peak 23373 ppm1 3.223 ppm2 3.226 volume 0.1781 assi ((( attr rmsd < 2.586) and (attr rmsd > 2.486)) and bondedto(attr rmsd < 63.270 and attr rmsd > 62.270)) ( attr rmsd < 2.590 and attr rmsd > 2.490) 6 6 0 peak 13374 ppm1 2.536 ppm2 2.540 volume 0.1658 assi ((( attr rmsd < 2.586) and (attr rmsd > 2.486)) and bondedto(attr rmsd < 15.750 and attr rmsd > 14.750)) ( attr rmsd < 2.590 and attr rmsd > 2.490) 6 6 0 peak 23374 ppm1 2.536 ppm2 2.540 volume 0.1658 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 63.381 and attr rmsd > 62.381)) ( attr rmsd < 2.250 and attr rmsd > 2.150) 6 6 0 peak 13375 ppm1 2.100 ppm2 2.200 volume 0.3018 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 15.861 and attr rmsd > 14.861)) ( attr rmsd < 2.250 and attr rmsd > 2.150) 6 6 0 peak 23375 ppm1 2.100 ppm2 2.200 volume 0.3018 assi ((( attr rmsd < 2.156) and (attr rmsd > 2.056)) and bondedto(attr rmsd < 63.379 and attr rmsd > 62.379)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 13376 ppm1 2.106 ppm2 2.018 volume 0.5878 assi ((( attr rmsd < 2.156) and (attr rmsd > 2.056)) and bondedto(attr rmsd < 15.859 and attr rmsd > 14.859)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 23376 ppm1 2.106 ppm2 2.018 volume 0.5878 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 63.356 and attr rmsd > 62.356)) ( attr rmsd < 0.894 and attr rmsd > 0.794) 6 6 0 peak 13377 ppm1 0.929 ppm2 0.844 volume 0.2708 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 15.836 and attr rmsd > 14.836)) ( attr rmsd < 0.894 and attr rmsd > 0.794) 6 6 0 peak 23377 ppm1 0.929 ppm2 0.844 volume 0.2708 assi ((( attr rmsd < 0.837) and (attr rmsd > 0.737)) and bondedto(attr rmsd < 63.312 and attr rmsd > 62.312)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13378 ppm1 0.787 ppm2 4.775 volume 0.3051 assi ((( attr rmsd < 0.837) and (attr rmsd > 0.737)) and bondedto(attr rmsd < 15.792 and attr rmsd > 14.792)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23378 ppm1 0.787 ppm2 4.775 volume 0.3051 assi ((( attr rmsd < 4.278) and (attr rmsd > 4.178)) and bondedto(attr rmsd < 39.515 and attr rmsd > 38.515)) ( attr rmsd < 4.278 and attr rmsd > 4.178) 6 6 0 peak 3379 ppm1 4.228 ppm2 4.228 volume 0.5577 assi ((( attr rmsd < 3.911) and (attr rmsd > 3.811)) and bondedto(attr rmsd < 39.494 and attr rmsd > 38.494)) ( attr rmsd < 3.913 and attr rmsd > 3.813) 6 6 0 peak 3380 ppm1 3.861 ppm2 3.863 volume 3.7151 assi ((( attr rmsd < 2.162) and (attr rmsd > 2.062)) and bondedto(attr rmsd < 39.615 and attr rmsd > 38.615)) ( attr rmsd < 2.160 and attr rmsd > 2.060) 6 6 0 peak 3381 ppm1 2.112 ppm2 2.110 volume 3.4248 assi ((( attr rmsd < 1.565) and (attr rmsd > 1.465)) and bondedto(attr rmsd < 39.581 and attr rmsd > 38.581)) ( attr rmsd < 1.568 and attr rmsd > 1.468) 6 6 0 peak 3382 ppm1 1.515 ppm2 1.518 volume 0.4130 assi ((( attr rmsd < 1.007) and (attr rmsd > 0.907)) and bondedto(attr rmsd < 39.607 and attr rmsd > 38.607)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 3383 ppm1 0.957 ppm2 0.966 volume 0.9578 assi ((( attr rmsd < 6.469) and (attr rmsd > 6.369)) and bondedto(attr rmsd < 63.151 and attr rmsd > 62.151)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 13384 ppm1 6.419 ppm2 4.778 volume 0.1521 assi ((( attr rmsd < 6.469) and (attr rmsd > 6.369)) and bondedto(attr rmsd < 15.631 and attr rmsd > 14.631)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 23384 ppm1 6.419 ppm2 4.778 volume 0.1521 assi ((( attr rmsd < 6.383) and (attr rmsd > 6.283)) and bondedto(attr rmsd < 63.184 and attr rmsd > 62.184)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 13385 ppm1 6.333 ppm2 4.777 volume 0.1532 assi ((( attr rmsd < 6.383) and (attr rmsd > 6.283)) and bondedto(attr rmsd < 15.664 and attr rmsd > 14.664)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 23385 ppm1 6.333 ppm2 4.777 volume 0.1532 assi ((( attr rmsd < 6.343) and (attr rmsd > 6.243)) and bondedto(attr rmsd < 63.146 and attr rmsd > 62.146)) ( attr rmsd < 4.820 and attr rmsd > 4.720) 6 6 0 peak 13386 ppm1 6.293 ppm2 4.770 volume 0.1469 assi ((( attr rmsd < 6.343) and (attr rmsd > 6.243)) and bondedto(attr rmsd < 15.626 and attr rmsd > 14.626)) ( attr rmsd < 4.820 and attr rmsd > 4.720) 6 6 0 peak 23386 ppm1 6.293 ppm2 4.770 volume 0.1469 assi ((( attr rmsd < 6.224) and (attr rmsd > 6.124)) and bondedto(attr rmsd < 63.083 and attr rmsd > 62.083)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13387 ppm1 6.174 ppm2 4.776 volume 0.1677 assi ((( attr rmsd < 6.224) and (attr rmsd > 6.124)) and bondedto(attr rmsd < 15.563 and attr rmsd > 14.563)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23387 ppm1 6.174 ppm2 4.776 volume 0.1677 assi ((( attr rmsd < 6.177) and (attr rmsd > 6.077)) and bondedto(attr rmsd < 63.060 and attr rmsd > 62.060)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 13388 ppm1 6.127 ppm2 4.777 volume 0.1633 assi ((( attr rmsd < 6.177) and (attr rmsd > 6.077)) and bondedto(attr rmsd < 15.540 and attr rmsd > 14.540)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 23388 ppm1 6.127 ppm2 4.777 volume 0.1633 assi ((( attr rmsd < 5.567) and (attr rmsd > 5.467)) and bondedto(attr rmsd < 63.157 and attr rmsd > 62.157)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 13389 ppm1 5.517 ppm2 4.778 volume 0.1728 assi ((( attr rmsd < 5.567) and (attr rmsd > 5.467)) and bondedto(attr rmsd < 15.637 and attr rmsd > 14.637)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 23389 ppm1 5.517 ppm2 4.778 volume 0.1728 assi ((( attr rmsd < 5.527) and (attr rmsd > 5.427)) and bondedto(attr rmsd < 63.060 and attr rmsd > 62.060)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 13390 ppm1 5.477 ppm2 4.779 volume 0.1769 assi ((( attr rmsd < 5.527) and (attr rmsd > 5.427)) and bondedto(attr rmsd < 15.540 and attr rmsd > 14.540)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 23390 ppm1 5.477 ppm2 4.779 volume 0.1769 assi ((( attr rmsd < 5.497) and (attr rmsd > 5.397)) and bondedto(attr rmsd < 63.129 and attr rmsd > 62.129)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13391 ppm1 5.447 ppm2 4.775 volume 0.1719 assi ((( attr rmsd < 5.497) and (attr rmsd > 5.397)) and bondedto(attr rmsd < 15.609 and attr rmsd > 14.609)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23391 ppm1 5.447 ppm2 4.775 volume 0.1719 assi ((( attr rmsd < 5.392) and (attr rmsd > 5.292)) and bondedto(attr rmsd < 63.085 and attr rmsd > 62.085)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13392 ppm1 5.342 ppm2 4.775 volume 0.1531 assi ((( attr rmsd < 5.392) and (attr rmsd > 5.292)) and bondedto(attr rmsd < 15.565 and attr rmsd > 14.565)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23392 ppm1 5.342 ppm2 4.775 volume 0.1531 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 63.066 and attr rmsd > 62.066)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13393 ppm1 4.836 ppm2 4.775 volume 0.4078 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 15.546 and attr rmsd > 14.546)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23393 ppm1 4.836 ppm2 4.775 volume 0.4078 assi ((( attr rmsd < 4.820) and (attr rmsd > 4.720)) and bondedto(attr rmsd < 63.080 and attr rmsd > 62.080)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13394 ppm1 4.770 ppm2 4.776 volume 0.3355 assi ((( attr rmsd < 4.820) and (attr rmsd > 4.720)) and bondedto(attr rmsd < 15.560 and attr rmsd > 14.560)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23394 ppm1 4.770 ppm2 4.776 volume 0.3355 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 63.101 and attr rmsd > 62.101)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 13395 ppm1 4.710 ppm2 4.766 volume 0.3874 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 15.581 and attr rmsd > 14.581)) ( attr rmsd < 4.816 and attr rmsd > 4.716) 6 6 0 peak 23395 ppm1 4.710 ppm2 4.766 volume 0.3874 assi ((( attr rmsd < 4.694) and (attr rmsd > 4.594)) and bondedto(attr rmsd < 63.065 and attr rmsd > 62.065)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 13396 ppm1 4.644 ppm2 4.778 volume 0.2787 assi ((( attr rmsd < 4.694) and (attr rmsd > 4.594)) and bondedto(attr rmsd < 15.545 and attr rmsd > 14.545)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 23396 ppm1 4.644 ppm2 4.778 volume 0.2787 assi ((( attr rmsd < 4.542) and (attr rmsd > 4.442)) and bondedto(attr rmsd < 63.147 and attr rmsd > 62.147)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13397 ppm1 4.492 ppm2 4.775 volume 0.1522 assi ((( attr rmsd < 4.542) and (attr rmsd > 4.442)) and bondedto(attr rmsd < 15.627 and attr rmsd > 14.627)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23397 ppm1 4.492 ppm2 4.775 volume 0.1522 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) and bondedto(attr rmsd < 63.104 and attr rmsd > 62.104)) ( attr rmsd < 0.896 and attr rmsd > 0.796) 6 6 0 peak 13398 ppm1 0.848 ppm2 0.846 volume 0.5536 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) and bondedto(attr rmsd < 15.584 and attr rmsd > 14.584)) ( attr rmsd < 0.896 and attr rmsd > 0.796) 6 6 0 peak 23398 ppm1 0.848 ppm2 0.846 volume 0.5536 assi ((( attr rmsd < 4.755) and (attr rmsd > 4.655)) and bondedto(attr rmsd < 39.478 and attr rmsd > 38.478)) ( attr rmsd < 3.914 and attr rmsd > 3.814) 6 6 0 peak 3399 ppm1 4.705 ppm2 3.864 volume 0.1582 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 39.296 and attr rmsd > 38.296)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 3400 ppm1 3.677 ppm2 3.596 volume 0.4473 assi ((( attr rmsd < 3.662) and (attr rmsd > 3.562)) and bondedto(attr rmsd < 39.316 and attr rmsd > 38.316)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 3401 ppm1 3.612 ppm2 3.595 volume 0.1707 assi ((( attr rmsd < 6.291) and (attr rmsd > 6.191)) and bondedto(attr rmsd < 63.046 and attr rmsd > 62.046)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13402 ppm1 6.241 ppm2 4.774 volume 0.1565 assi ((( attr rmsd < 6.291) and (attr rmsd > 6.191)) and bondedto(attr rmsd < 15.526 and attr rmsd > 14.526)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23402 ppm1 6.241 ppm2 4.774 volume 0.1565 assi ((( attr rmsd < 5.697) and (attr rmsd > 5.597)) and bondedto(attr rmsd < 62.867 and attr rmsd > 61.867)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 13403 ppm1 5.647 ppm2 4.620 volume 0.1568 assi ((( attr rmsd < 5.697) and (attr rmsd > 5.597)) and bondedto(attr rmsd < 15.347 and attr rmsd > 14.347)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 23403 ppm1 5.647 ppm2 4.620 volume 0.1568 assi ((( attr rmsd < 5.653) and (attr rmsd > 5.553)) and bondedto(attr rmsd < 62.920 and attr rmsd > 61.920)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 13404 ppm1 5.603 ppm2 4.621 volume 0.1484 assi ((( attr rmsd < 5.653) and (attr rmsd > 5.553)) and bondedto(attr rmsd < 15.400 and attr rmsd > 14.400)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 23404 ppm1 5.603 ppm2 4.621 volume 0.1484 assi ((( attr rmsd < 5.616) and (attr rmsd > 5.516)) and bondedto(attr rmsd < 62.864 and attr rmsd > 61.864)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 13405 ppm1 5.566 ppm2 4.617 volume 0.1509 assi ((( attr rmsd < 5.616) and (attr rmsd > 5.516)) and bondedto(attr rmsd < 15.344 and attr rmsd > 14.344)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 23405 ppm1 5.566 ppm2 4.617 volume 0.1509 assi ((( attr rmsd < 5.601) and (attr rmsd > 5.501)) and bondedto(attr rmsd < 62.907 and attr rmsd > 61.907)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13406 ppm1 5.551 ppm2 4.774 volume 0.1530 assi ((( attr rmsd < 5.601) and (attr rmsd > 5.501)) and bondedto(attr rmsd < 15.387 and attr rmsd > 14.387)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23406 ppm1 5.551 ppm2 4.774 volume 0.1530 assi ((( attr rmsd < 5.569) and (attr rmsd > 5.469)) and bondedto(attr rmsd < 62.896 and attr rmsd > 61.896)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 13407 ppm1 5.519 ppm2 4.621 volume 0.1576 assi ((( attr rmsd < 5.569) and (attr rmsd > 5.469)) and bondedto(attr rmsd < 15.376 and attr rmsd > 14.376)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 23407 ppm1 5.519 ppm2 4.621 volume 0.1576 assi ((( attr rmsd < 5.537) and (attr rmsd > 5.437)) and bondedto(attr rmsd < 62.929 and attr rmsd > 61.929)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 13408 ppm1 5.487 ppm2 4.621 volume 0.1667 assi ((( attr rmsd < 5.537) and (attr rmsd > 5.437)) and bondedto(attr rmsd < 15.409 and attr rmsd > 14.409)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 23408 ppm1 5.487 ppm2 4.621 volume 0.1667 assi ((( attr rmsd < 4.954) and (attr rmsd > 4.854)) and bondedto(attr rmsd < 62.917 and attr rmsd > 61.917)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 13409 ppm1 4.904 ppm2 4.618 volume 0.6497 assi ((( attr rmsd < 4.954) and (attr rmsd > 4.854)) and bondedto(attr rmsd < 15.397 and attr rmsd > 14.397)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 23409 ppm1 4.904 ppm2 4.618 volume 0.6497 assi ((( attr rmsd < 4.793) and (attr rmsd > 4.693)) and bondedto(attr rmsd < 62.900 and attr rmsd > 61.900)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 13410 ppm1 4.743 ppm2 4.617 volume 0.2813 assi ((( attr rmsd < 4.793) and (attr rmsd > 4.693)) and bondedto(attr rmsd < 15.380 and attr rmsd > 14.380)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 23410 ppm1 4.743 ppm2 4.617 volume 0.2813 assi ((( attr rmsd < 4.675) and (attr rmsd > 4.575)) and bondedto(attr rmsd < 62.919 and attr rmsd > 61.919)) ( attr rmsd < 2.055 and attr rmsd > 1.955) 6 6 0 peak 13411 ppm1 4.625 ppm2 2.005 volume 0.5091 assi ((( attr rmsd < 4.675) and (attr rmsd > 4.575)) and bondedto(attr rmsd < 15.399 and attr rmsd > 14.399)) ( attr rmsd < 2.055 and attr rmsd > 1.955) 6 6 0 peak 23411 ppm1 4.625 ppm2 2.005 volume 0.5091 assi ((( attr rmsd < 4.674) and (attr rmsd > 4.574)) and bondedto(attr rmsd < 62.914 and attr rmsd > 61.914)) ( attr rmsd < 1.659 and attr rmsd > 1.559) 6 6 0 peak 13412 ppm1 4.624 ppm2 1.609 volume 0.3413 assi ((( attr rmsd < 4.674) and (attr rmsd > 4.574)) and bondedto(attr rmsd < 15.394 and attr rmsd > 14.394)) ( attr rmsd < 1.659 and attr rmsd > 1.559) 6 6 0 peak 23412 ppm1 4.624 ppm2 1.609 volume 0.3413 assi ((( attr rmsd < 4.672) and (attr rmsd > 4.572)) and bondedto(attr rmsd < 62.969 and attr rmsd > 61.969)) ( attr rmsd < 4.978 and attr rmsd > 4.878) 6 6 0 peak 13413 ppm1 4.622 ppm2 4.928 volume 0.1673 assi ((( attr rmsd < 4.672) and (attr rmsd > 4.572)) and bondedto(attr rmsd < 15.449 and attr rmsd > 14.449)) ( attr rmsd < 4.978 and attr rmsd > 4.878) 6 6 0 peak 23413 ppm1 4.622 ppm2 4.928 volume 0.1673 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 63.029 and attr rmsd > 62.029)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 13414 ppm1 4.614 ppm2 4.777 volume 0.3385 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 15.509 and attr rmsd > 14.509)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 23414 ppm1 4.614 ppm2 4.777 volume 0.3385 assi ((( attr rmsd < 4.665) and (attr rmsd > 4.565)) and bondedto(attr rmsd < 62.915 and attr rmsd > 61.915)) ( attr rmsd < 4.669 and attr rmsd > 4.569) 6 6 0 peak 13415 ppm1 4.615 ppm2 4.619 volume 4.5729 assi ((( attr rmsd < 4.665) and (attr rmsd > 4.565)) and bondedto(attr rmsd < 15.395 and attr rmsd > 14.395)) ( attr rmsd < 4.669 and attr rmsd > 4.569) 6 6 0 peak 23415 ppm1 4.615 ppm2 4.619 volume 4.5729 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 62.917 and attr rmsd > 61.917)) ( attr rmsd < 2.535 and attr rmsd > 2.435) 6 6 0 peak 13416 ppm1 4.612 ppm2 2.485 volume 0.5448 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 15.397 and attr rmsd > 14.397)) ( attr rmsd < 2.535 and attr rmsd > 2.435) 6 6 0 peak 23416 ppm1 4.612 ppm2 2.485 volume 0.5448 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 62.920 and attr rmsd > 61.920)) ( attr rmsd < 2.178 and attr rmsd > 2.078) 6 6 0 peak 13417 ppm1 4.612 ppm2 2.128 volume 0.2212 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 15.400 and attr rmsd > 14.400)) ( attr rmsd < 2.178 and attr rmsd > 2.078) 6 6 0 peak 23417 ppm1 4.612 ppm2 2.128 volume 0.2212 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 62.916 and attr rmsd > 61.916)) ( attr rmsd < 1.828 and attr rmsd > 1.728) 6 6 0 peak 13418 ppm1 4.612 ppm2 1.778 volume 0.4175 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 15.396 and attr rmsd > 14.396)) ( attr rmsd < 1.828 and attr rmsd > 1.728) 6 6 0 peak 23418 ppm1 4.612 ppm2 1.778 volume 0.4175 assi ((( attr rmsd < 3.123) and (attr rmsd > 3.023)) and bondedto(attr rmsd < 62.976 and attr rmsd > 61.976)) ( attr rmsd < 3.132 and attr rmsd > 3.032) 6 6 0 peak 13419 ppm1 3.073 ppm2 3.082 volume 0.5140 assi ((( attr rmsd < 3.123) and (attr rmsd > 3.023)) and bondedto(attr rmsd < 15.456 and attr rmsd > 14.456)) ( attr rmsd < 3.132 and attr rmsd > 3.032) 6 6 0 peak 23419 ppm1 3.073 ppm2 3.082 volume 0.5140 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 62.965 and attr rmsd > 61.965)) ( attr rmsd < 3.087 and attr rmsd > 2.987) 6 6 0 peak 13420 ppm1 3.029 ppm2 3.037 volume 0.8810 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 15.445 and attr rmsd > 14.445)) ( attr rmsd < 3.087 and attr rmsd > 2.987) 6 6 0 peak 23420 ppm1 3.029 ppm2 3.037 volume 0.8810 assi ((( attr rmsd < 2.154) and (attr rmsd > 2.054)) and bondedto(attr rmsd < 62.922 and attr rmsd > 61.922)) ( attr rmsd < 2.157 and attr rmsd > 2.057) 6 6 0 peak 13421 ppm1 2.104 ppm2 2.107 volume 0.8424 assi ((( attr rmsd < 2.154) and (attr rmsd > 2.054)) and bondedto(attr rmsd < 15.402 and attr rmsd > 14.402)) ( attr rmsd < 2.157 and attr rmsd > 2.057) 6 6 0 peak 23421 ppm1 2.104 ppm2 2.107 volume 0.8424 assi ((( attr rmsd < 0.467) and (attr rmsd > 0.367)) and bondedto(attr rmsd < 62.909 and attr rmsd > 61.909)) ( attr rmsd < 0.473 and attr rmsd > 0.373) 6 6 0 peak 13422 ppm1 0.417 ppm2 0.423 volume 0.2293 assi ((( attr rmsd < 0.467) and (attr rmsd > 0.367)) and bondedto(attr rmsd < 15.389 and attr rmsd > 14.389)) ( attr rmsd < 0.473 and attr rmsd > 0.373) 6 6 0 peak 23422 ppm1 0.417 ppm2 0.423 volume 0.2293 assi ((( attr rmsd < 4.880) and (attr rmsd > 4.780)) and bondedto(attr rmsd < 39.187 and attr rmsd > 38.187)) ( attr rmsd < 4.677 and attr rmsd > 4.577) 6 6 0 peak 3423 ppm1 4.830 ppm2 4.627 volume 0.3441 assi ((( attr rmsd < 4.743) and (attr rmsd > 4.643)) and bondedto(attr rmsd < 39.167 and attr rmsd > 38.167)) ( attr rmsd < 4.672 and attr rmsd > 4.572) 6 6 0 peak 3424 ppm1 4.693 ppm2 4.622 volume 1.6172 assi ((( attr rmsd < 4.744) and (attr rmsd > 4.644)) and bondedto(attr rmsd < 39.182 and attr rmsd > 38.182)) ( attr rmsd < 2.532 and attr rmsd > 2.432) 6 6 0 peak 3425 ppm1 4.694 ppm2 2.482 volume 0.1583 assi ((( attr rmsd < 4.745) and (attr rmsd > 4.645)) and bondedto(attr rmsd < 39.180 and attr rmsd > 38.180)) ( attr rmsd < 2.058 and attr rmsd > 1.958) 6 6 0 peak 3426 ppm1 4.695 ppm2 2.008 volume 0.1900 assi ((( attr rmsd < 4.681) and (attr rmsd > 4.581)) and bondedto(attr rmsd < 39.157 and attr rmsd > 38.157)) ( attr rmsd < 4.569 and attr rmsd > 4.469) 6 6 0 peak 3427 ppm1 4.631 ppm2 4.519 volume 0.2065 assi ((( attr rmsd < 4.668) and (attr rmsd > 4.568)) and bondedto(attr rmsd < 39.173 and attr rmsd > 38.173)) ( attr rmsd < 0.062 and attr rmsd > -0.038) 6 6 0 peak 3428 ppm1 4.618 ppm2 0.012 volume 0.1658 assi ((( attr rmsd < 4.542) and (attr rmsd > 4.442)) and bondedto(attr rmsd < 39.156 and attr rmsd > 38.156)) ( attr rmsd < 4.673 and attr rmsd > 4.573) 6 6 0 peak 3429 ppm1 4.492 ppm2 4.623 volume 0.4602 assi ((( attr rmsd < 3.636) and (attr rmsd > 3.536)) and bondedto(attr rmsd < 39.264 and attr rmsd > 38.264)) ( attr rmsd < 3.723 and attr rmsd > 3.623) 6 6 0 peak 3430 ppm1 3.586 ppm2 3.673 volume 0.2258 assi ((( attr rmsd < 2.925) and (attr rmsd > 2.825)) and bondedto(attr rmsd < 39.183 and attr rmsd > 38.183)) ( attr rmsd < 4.781 and attr rmsd > 4.681) 6 6 0 peak 3431 ppm1 2.875 ppm2 4.731 volume 0.1583 assi ((( attr rmsd < 2.930) and (attr rmsd > 2.830)) and bondedto(attr rmsd < 39.262 and attr rmsd > 38.262)) ( attr rmsd < 2.932 and attr rmsd > 2.832) 6 6 0 peak 3432 ppm1 2.880 ppm2 2.882 volume 1.0638 assi ((( attr rmsd < 2.173) and (attr rmsd > 2.073)) and bondedto(attr rmsd < 39.166 and attr rmsd > 38.166)) ( attr rmsd < 2.069 and attr rmsd > 1.969) 6 6 0 peak 3433 ppm1 2.123 ppm2 2.019 volume 0.1801 assi ((( attr rmsd < 1.023) and (attr rmsd > 0.923)) and bondedto(attr rmsd < 39.165 and attr rmsd > 38.165)) ( attr rmsd < 1.174 and attr rmsd > 1.074) 6 6 0 peak 3434 ppm1 0.973 ppm2 1.124 volume 0.1698 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 39.233 and attr rmsd > 38.233)) ( attr rmsd < 0.596 and attr rmsd > 0.496) 6 6 0 peak 3435 ppm1 0.540 ppm2 0.546 volume 0.2563 assi ((( attr rmsd < 4.975) and (attr rmsd > 4.875)) and bondedto(attr rmsd < 62.815 and attr rmsd > 61.815)) ( attr rmsd < 4.030 and attr rmsd > 3.930) 6 6 0 peak 13436 ppm1 4.925 ppm2 3.980 volume 0.1642 assi ((( attr rmsd < 4.975) and (attr rmsd > 4.875)) and bondedto(attr rmsd < 15.295 and attr rmsd > 14.295)) ( attr rmsd < 4.030 and attr rmsd > 3.930) 6 6 0 peak 23436 ppm1 4.925 ppm2 3.980 volume 0.1642 assi ((( attr rmsd < 4.893) and (attr rmsd > 4.793)) and bondedto(attr rmsd < 62.821 and attr rmsd > 61.821)) ( attr rmsd < 4.034 and attr rmsd > 3.934) 6 6 0 peak 13437 ppm1 4.843 ppm2 3.984 volume 0.5034 assi ((( attr rmsd < 4.893) and (attr rmsd > 4.793)) and bondedto(attr rmsd < 15.301 and attr rmsd > 14.301)) ( attr rmsd < 4.034 and attr rmsd > 3.934) 6 6 0 peak 23437 ppm1 4.843 ppm2 3.984 volume 0.5034 assi ((( attr rmsd < 4.842) and (attr rmsd > 4.742)) and bondedto(attr rmsd < 62.824 and attr rmsd > 61.824)) ( attr rmsd < 4.033 and attr rmsd > 3.933) 6 6 0 peak 13438 ppm1 4.792 ppm2 3.983 volume 0.2637 assi ((( attr rmsd < 4.842) and (attr rmsd > 4.742)) and bondedto(attr rmsd < 15.304 and attr rmsd > 14.304)) ( attr rmsd < 4.033 and attr rmsd > 3.933) 6 6 0 peak 23438 ppm1 4.792 ppm2 3.983 volume 0.2637 assi ((( attr rmsd < 4.759) and (attr rmsd > 4.659)) and bondedto(attr rmsd < 62.827 and attr rmsd > 61.827)) ( attr rmsd < 4.036 and attr rmsd > 3.936) 6 6 0 peak 13439 ppm1 4.709 ppm2 3.986 volume 0.4793 assi ((( attr rmsd < 4.759) and (attr rmsd > 4.659)) and bondedto(attr rmsd < 15.307 and attr rmsd > 14.307)) ( attr rmsd < 4.036 and attr rmsd > 3.936) 6 6 0 peak 23439 ppm1 4.709 ppm2 3.986 volume 0.4793 assi ((( attr rmsd < 4.026) and (attr rmsd > 3.926)) and bondedto(attr rmsd < 62.844 and attr rmsd > 61.844)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13440 ppm1 3.976 ppm2 4.775 volume 0.5857 assi ((( attr rmsd < 4.026) and (attr rmsd > 3.926)) and bondedto(attr rmsd < 15.324 and attr rmsd > 14.324)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23440 ppm1 3.976 ppm2 4.775 volume 0.5857 assi ((( attr rmsd < 4.026) and (attr rmsd > 3.926)) and bondedto(attr rmsd < 62.746 and attr rmsd > 61.746)) ( attr rmsd < 4.281 and attr rmsd > 4.181) 6 6 0 peak 13441 ppm1 3.976 ppm2 4.231 volume 1.2817 assi ((( attr rmsd < 4.026) and (attr rmsd > 3.926)) and bondedto(attr rmsd < 15.226 and attr rmsd > 14.226)) ( attr rmsd < 4.281 and attr rmsd > 4.181) 6 6 0 peak 23441 ppm1 3.976 ppm2 4.231 volume 1.2817 assi ((( attr rmsd < 4.028) and (attr rmsd > 3.928)) and bondedto(attr rmsd < 62.818 and attr rmsd > 61.818)) ( attr rmsd < 4.033 and attr rmsd > 3.933) 6 6 0 peak 13442 ppm1 3.978 ppm2 3.983 volume 7.5727 assi ((( attr rmsd < 4.028) and (attr rmsd > 3.928)) and bondedto(attr rmsd < 15.298 and attr rmsd > 14.298)) ( attr rmsd < 4.033 and attr rmsd > 3.933) 6 6 0 peak 23442 ppm1 3.978 ppm2 3.983 volume 7.5727 assi ((( attr rmsd < 2.790) and (attr rmsd > 2.690)) and bondedto(attr rmsd < 62.746 and attr rmsd > 61.746)) ( attr rmsd < 2.788 and attr rmsd > 2.688) 6 6 0 peak 13443 ppm1 2.740 ppm2 2.738 volume 0.4834 assi ((( attr rmsd < 2.790) and (attr rmsd > 2.690)) and bondedto(attr rmsd < 15.226 and attr rmsd > 14.226)) ( attr rmsd < 2.788 and attr rmsd > 2.688) 6 6 0 peak 23443 ppm1 2.740 ppm2 2.738 volume 0.4834 assi ((( attr rmsd < 1.922) and (attr rmsd > 1.822)) and bondedto(attr rmsd < 62.681 and attr rmsd > 61.681)) ( attr rmsd < 0.462 and attr rmsd > 0.362) 6 6 0 peak 13444 ppm1 1.872 ppm2 0.412 volume 0.1775 assi ((( attr rmsd < 1.922) and (attr rmsd > 1.822)) and bondedto(attr rmsd < 15.161 and attr rmsd > 14.161)) ( attr rmsd < 0.462 and attr rmsd > 0.362) 6 6 0 peak 23444 ppm1 1.872 ppm2 0.412 volume 0.1775 assi ((( attr rmsd < 0.817) and (attr rmsd > 0.717)) and bondedto(attr rmsd < 62.761 and attr rmsd > 61.761)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13445 ppm1 0.767 ppm2 4.774 volume 0.3470 assi ((( attr rmsd < 0.817) and (attr rmsd > 0.717)) and bondedto(attr rmsd < 15.241 and attr rmsd > 14.241)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23445 ppm1 0.767 ppm2 4.774 volume 0.3470 assi ((( attr rmsd < 4.019) and (attr rmsd > 3.919)) and bondedto(attr rmsd < 38.949 and attr rmsd > 37.949)) ( attr rmsd < 0.812 and attr rmsd > 0.712) 6 6 0 peak 3446 ppm1 3.969 ppm2 0.762 volume 0.1948 assi ((( attr rmsd < 4.024) and (attr rmsd > 3.924)) and bondedto(attr rmsd < 39.093 and attr rmsd > 38.093)) ( attr rmsd < 0.424 and attr rmsd > 0.324) 6 6 0 peak 3447 ppm1 3.974 ppm2 0.374 volume 0.1574 assi ((( attr rmsd < 2.322) and (attr rmsd > 2.222)) and bondedto(attr rmsd < 39.044 and attr rmsd > 38.044)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 3448 ppm1 2.272 ppm2 4.617 volume 0.7925 assi ((( attr rmsd < 2.323) and (attr rmsd > 2.223)) and bondedto(attr rmsd < 39.043 and attr rmsd > 38.043)) ( attr rmsd < 1.739 and attr rmsd > 1.639) 6 6 0 peak 3449 ppm1 2.273 ppm2 1.689 volume 0.2473 assi ((( attr rmsd < 2.323) and (attr rmsd > 2.223)) and bondedto(attr rmsd < 39.028 and attr rmsd > 38.028)) ( attr rmsd < 1.358 and attr rmsd > 1.258) 6 6 0 peak 3450 ppm1 2.273 ppm2 1.308 volume 0.3566 assi ((( attr rmsd < 2.319) and (attr rmsd > 2.219)) and bondedto(attr rmsd < 39.025 and attr rmsd > 38.025)) ( attr rmsd < 2.322 and attr rmsd > 2.222) 6 6 0 peak 3451 ppm1 2.269 ppm2 2.272 volume 2.1043 assi ((( attr rmsd < 2.317) and (attr rmsd > 2.217)) and bondedto(attr rmsd < 39.018 and attr rmsd > 38.018)) ( attr rmsd < 0.993 and attr rmsd > 0.893) 6 6 0 peak 3452 ppm1 2.267 ppm2 0.943 volume 0.8474 assi ((( attr rmsd < 2.320) and (attr rmsd > 2.220)) and bondedto(attr rmsd < 39.006 and attr rmsd > 38.006)) ( attr rmsd < 0.743 and attr rmsd > 0.643) 6 6 0 peak 3453 ppm1 2.270 ppm2 0.693 volume 0.5246 assi ((( attr rmsd < 1.790) and (attr rmsd > 1.690)) and bondedto(attr rmsd < 39.075 and attr rmsd > 38.075)) ( attr rmsd < 4.703 and attr rmsd > 4.603) 6 6 0 peak 3454 ppm1 1.740 ppm2 4.653 volume 0.1686 assi ((( attr rmsd < 1.799) and (attr rmsd > 1.699)) and bondedto(attr rmsd < 39.055 and attr rmsd > 38.055)) ( attr rmsd < 4.540 and attr rmsd > 4.440) 6 6 0 peak 3455 ppm1 1.749 ppm2 4.490 volume 0.2110 assi ((( attr rmsd < 1.798) and (attr rmsd > 1.698)) and bondedto(attr rmsd < 39.095 and attr rmsd > 38.095)) ( attr rmsd < 4.396 and attr rmsd > 4.296) 6 6 0 peak 3456 ppm1 1.748 ppm2 4.346 volume 0.1808 assi ((( attr rmsd < 1.796) and (attr rmsd > 1.696)) and bondedto(attr rmsd < 39.056 and attr rmsd > 38.056)) ( attr rmsd < 1.799 and attr rmsd > 1.699) 6 6 0 peak 3457 ppm1 1.746 ppm2 1.749 volume 4.1671 assi ((( attr rmsd < 1.796) and (attr rmsd > 1.696)) and bondedto(attr rmsd < 39.060 and attr rmsd > 38.060)) ( attr rmsd < 0.927 and attr rmsd > 0.827) 6 6 0 peak 3458 ppm1 1.746 ppm2 0.877 volume 1.6692 assi ((( attr rmsd < 1.781) and (attr rmsd > 1.681)) and bondedto(attr rmsd < 39.006 and attr rmsd > 38.006)) ( attr rmsd < 5.027 and attr rmsd > 4.927) 6 6 0 peak 3459 ppm1 1.731 ppm2 4.977 volume 0.1543 assi ((( attr rmsd < 1.776) and (attr rmsd > 1.676)) and bondedto(attr rmsd < 38.950 and attr rmsd > 37.950)) ( attr rmsd < 1.180 and attr rmsd > 1.080) 6 6 0 peak 3460 ppm1 1.726 ppm2 1.130 volume 0.1910 assi ((( attr rmsd < 0.997) and (attr rmsd > 0.897)) and bondedto(attr rmsd < 39.019 and attr rmsd > 38.019)) ( attr rmsd < 2.320 and attr rmsd > 2.220) 6 6 0 peak 3461 ppm1 0.947 ppm2 2.270 volume 0.1571 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 39.095 and attr rmsd > 38.095)) ( attr rmsd < 1.808 and attr rmsd > 1.708) 6 6 0 peak 3462 ppm1 0.930 ppm2 1.758 volume 0.1636 assi ((( attr rmsd < 0.934) and (attr rmsd > 0.834)) and bondedto(attr rmsd < 38.999 and attr rmsd > 37.999)) ( attr rmsd < 1.042 and attr rmsd > 0.942) 6 6 0 peak 3463 ppm1 0.884 ppm2 0.992 volume 0.1559 assi ((( attr rmsd < 0.930) and (attr rmsd > 0.830)) and bondedto(attr rmsd < 38.997 and attr rmsd > 37.997)) ( attr rmsd < 0.936 and attr rmsd > 0.836) 6 6 0 peak 3464 ppm1 0.880 ppm2 0.886 volume 1.8535 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 62.569 and attr rmsd > 61.569)) ( attr rmsd < 4.156 and attr rmsd > 4.056) 6 6 0 peak 13465 ppm1 4.849 ppm2 4.106 volume 0.9221 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 15.049 and attr rmsd > 14.049)) ( attr rmsd < 4.156 and attr rmsd > 4.056) 6 6 0 peak 23465 ppm1 4.849 ppm2 4.106 volume 0.9221 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 62.548 and attr rmsd > 61.548)) ( attr rmsd < 0.981 and attr rmsd > 0.881) 6 6 0 peak 13466 ppm1 4.847 ppm2 0.931 volume 0.1660 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 15.028 and attr rmsd > 14.028)) ( attr rmsd < 0.981 and attr rmsd > 0.881) 6 6 0 peak 23466 ppm1 4.847 ppm2 0.931 volume 0.1660 assi ((( attr rmsd < 4.891) and (attr rmsd > 4.791)) and bondedto(attr rmsd < 62.636 and attr rmsd > 61.636)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 13467 ppm1 4.841 ppm2 1.874 volume 0.2395 assi ((( attr rmsd < 4.891) and (attr rmsd > 4.791)) and bondedto(attr rmsd < 15.116 and attr rmsd > 14.116)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 23467 ppm1 4.841 ppm2 1.874 volume 0.2395 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 62.633 and attr rmsd > 61.633)) ( attr rmsd < 0.823 and attr rmsd > 0.723) 6 6 0 peak 13468 ppm1 4.838 ppm2 0.773 volume 0.4824 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 15.113 and attr rmsd > 14.113)) ( attr rmsd < 0.823 and attr rmsd > 0.723) 6 6 0 peak 23468 ppm1 4.838 ppm2 0.773 volume 0.4824 assi ((( attr rmsd < 4.814) and (attr rmsd > 4.714)) and bondedto(attr rmsd < 62.576 and attr rmsd > 61.576)) ( attr rmsd < 4.155 and attr rmsd > 4.055) 6 6 0 peak 13469 ppm1 4.764 ppm2 4.105 volume 0.5083 assi ((( attr rmsd < 4.814) and (attr rmsd > 4.714)) and bondedto(attr rmsd < 15.056 and attr rmsd > 14.056)) ( attr rmsd < 4.155 and attr rmsd > 4.055) 6 6 0 peak 23469 ppm1 4.764 ppm2 4.105 volume 0.5083 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 62.574 and attr rmsd > 61.574)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 13470 ppm1 4.715 ppm2 4.104 volume 0.8051 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 15.054 and attr rmsd > 14.054)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 23470 ppm1 4.715 ppm2 4.104 volume 0.8051 assi ((( attr rmsd < 4.752) and (attr rmsd > 4.652)) and bondedto(attr rmsd < 62.644 and attr rmsd > 61.644)) ( attr rmsd < 1.922 and attr rmsd > 1.822) 6 6 0 peak 13471 ppm1 4.702 ppm2 1.872 volume 0.2730 assi ((( attr rmsd < 4.752) and (attr rmsd > 4.652)) and bondedto(attr rmsd < 15.124 and attr rmsd > 14.124)) ( attr rmsd < 1.922 and attr rmsd > 1.822) 6 6 0 peak 23471 ppm1 4.702 ppm2 1.872 volume 0.2730 assi ((( attr rmsd < 4.149) and (attr rmsd > 4.049)) and bondedto(attr rmsd < 62.603 and attr rmsd > 61.603)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13472 ppm1 4.099 ppm2 4.774 volume 0.5692 assi ((( attr rmsd < 4.149) and (attr rmsd > 4.049)) and bondedto(attr rmsd < 15.083 and attr rmsd > 14.083)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23472 ppm1 4.099 ppm2 4.774 volume 0.5692 assi ((( attr rmsd < 4.150) and (attr rmsd > 4.050)) and bondedto(attr rmsd < 62.558 and attr rmsd > 61.558)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 13473 ppm1 4.100 ppm2 4.104 volume 16.1166 assi ((( attr rmsd < 4.150) and (attr rmsd > 4.050)) and bondedto(attr rmsd < 15.038 and attr rmsd > 14.038)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 23473 ppm1 4.100 ppm2 4.104 volume 16.1166 assi ((( attr rmsd < 4.151) and (attr rmsd > 4.051)) and bondedto(attr rmsd < 62.584 and attr rmsd > 61.584)) ( attr rmsd < 2.116 and attr rmsd > 2.016) 6 6 0 peak 13474 ppm1 4.101 ppm2 2.066 volume 0.3054 assi ((( attr rmsd < 4.151) and (attr rmsd > 4.051)) and bondedto(attr rmsd < 15.064 and attr rmsd > 14.064)) ( attr rmsd < 2.116 and attr rmsd > 2.016) 6 6 0 peak 23474 ppm1 4.101 ppm2 2.066 volume 0.3054 assi ((( attr rmsd < 4.153) and (attr rmsd > 4.053)) and bondedto(attr rmsd < 62.582 and attr rmsd > 61.582)) ( attr rmsd < 1.001 and attr rmsd > 0.901) 6 6 0 peak 13475 ppm1 4.103 ppm2 0.951 volume 0.3538 assi ((( attr rmsd < 4.153) and (attr rmsd > 4.053)) and bondedto(attr rmsd < 15.062 and attr rmsd > 14.062)) ( attr rmsd < 1.001 and attr rmsd > 0.901) 6 6 0 peak 23475 ppm1 4.103 ppm2 0.951 volume 0.3538 assi ((( attr rmsd < 2.151) and (attr rmsd > 2.051)) and bondedto(attr rmsd < 62.513 and attr rmsd > 61.513)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 13476 ppm1 2.101 ppm2 2.018 volume 0.2407 assi ((( attr rmsd < 2.151) and (attr rmsd > 2.051)) and bondedto(attr rmsd < 14.993 and attr rmsd > 13.993)) ( attr rmsd < 2.068 and attr rmsd > 1.968) 6 6 0 peak 23476 ppm1 2.101 ppm2 2.018 volume 0.2407 assi ((( attr rmsd < 2.115) and (attr rmsd > 2.015)) and bondedto(attr rmsd < 62.530 and attr rmsd > 61.530)) ( attr rmsd < 4.151 and attr rmsd > 4.051) 6 6 0 peak 13477 ppm1 2.065 ppm2 4.101 volume 0.2508 assi ((( attr rmsd < 2.115) and (attr rmsd > 2.015)) and bondedto(attr rmsd < 15.010 and attr rmsd > 14.010)) ( attr rmsd < 4.151 and attr rmsd > 4.051) 6 6 0 peak 23477 ppm1 2.065 ppm2 4.101 volume 0.2508 assi ((( attr rmsd < 1.919) and (attr rmsd > 1.819)) and bondedto(attr rmsd < 62.628 and attr rmsd > 61.628)) ( attr rmsd < 1.440 and attr rmsd > 1.340) 6 6 0 peak 13478 ppm1 1.869 ppm2 1.390 volume 0.1730 assi ((( attr rmsd < 1.919) and (attr rmsd > 1.819)) and bondedto(attr rmsd < 15.108 and attr rmsd > 14.108)) ( attr rmsd < 1.440 and attr rmsd > 1.340) 6 6 0 peak 23478 ppm1 1.869 ppm2 1.390 volume 0.1730 assi ((( attr rmsd < 1.919) and (attr rmsd > 1.819)) and bondedto(attr rmsd < 62.655 and attr rmsd > 61.655)) ( attr rmsd < 1.383 and attr rmsd > 1.283) 6 6 0 peak 13479 ppm1 1.869 ppm2 1.333 volume 0.1584 assi ((( attr rmsd < 1.919) and (attr rmsd > 1.819)) and bondedto(attr rmsd < 15.135 and attr rmsd > 14.135)) ( attr rmsd < 1.383 and attr rmsd > 1.283) 6 6 0 peak 23479 ppm1 1.869 ppm2 1.333 volume 0.1584 assi ((( attr rmsd < 1.920) and (attr rmsd > 1.820)) and bondedto(attr rmsd < 62.646 and attr rmsd > 61.646)) ( attr rmsd < 0.631 and attr rmsd > 0.531) 6 6 0 peak 13480 ppm1 1.870 ppm2 0.581 volume 0.1674 assi ((( attr rmsd < 1.920) and (attr rmsd > 1.820)) and bondedto(attr rmsd < 15.126 and attr rmsd > 14.126)) ( attr rmsd < 0.631 and attr rmsd > 0.531) 6 6 0 peak 23480 ppm1 1.870 ppm2 0.581 volume 0.1674 assi ((( attr rmsd < 1.919) and (attr rmsd > 1.819)) and bondedto(attr rmsd < 62.613 and attr rmsd > 61.613)) ( attr rmsd < 0.536 and attr rmsd > 0.436) 6 6 0 peak 13481 ppm1 1.869 ppm2 0.486 volume 0.1566 assi ((( attr rmsd < 1.919) and (attr rmsd > 1.819)) and bondedto(attr rmsd < 15.093 and attr rmsd > 14.093)) ( attr rmsd < 0.536 and attr rmsd > 0.436) 6 6 0 peak 23481 ppm1 1.869 ppm2 0.486 volume 0.1566 assi ((( attr rmsd < 1.918) and (attr rmsd > 1.818)) and bondedto(attr rmsd < 62.670 and attr rmsd > 61.670)) ( attr rmsd < 0.243 and attr rmsd > 0.143) 6 6 0 peak 13482 ppm1 1.868 ppm2 0.193 volume 0.2294 assi ((( attr rmsd < 1.918) and (attr rmsd > 1.818)) and bondedto(attr rmsd < 15.150 and attr rmsd > 14.150)) ( attr rmsd < 0.243 and attr rmsd > 0.143) 6 6 0 peak 23482 ppm1 1.868 ppm2 0.193 volume 0.2294 assi ((( attr rmsd < 1.410) and (attr rmsd > 1.310)) and bondedto(attr rmsd < 62.622 and attr rmsd > 61.622)) ( attr rmsd < 0.820 and attr rmsd > 0.720) 6 6 0 peak 13483 ppm1 1.360 ppm2 0.770 volume 0.2538 assi ((( attr rmsd < 1.410) and (attr rmsd > 1.310)) and bondedto(attr rmsd < 15.102 and attr rmsd > 14.102)) ( attr rmsd < 0.820 and attr rmsd > 0.720) 6 6 0 peak 23483 ppm1 1.360 ppm2 0.770 volume 0.2538 assi ((( attr rmsd < 0.983) and (attr rmsd > 0.883)) and bondedto(attr rmsd < 62.654 and attr rmsd > 61.654)) ( attr rmsd < 1.925 and attr rmsd > 1.825) 6 6 0 peak 13484 ppm1 0.933 ppm2 1.875 volume 0.3156 assi ((( attr rmsd < 0.983) and (attr rmsd > 0.883)) and bondedto(attr rmsd < 15.134 and attr rmsd > 14.134)) ( attr rmsd < 1.925 and attr rmsd > 1.825) 6 6 0 peak 23484 ppm1 0.933 ppm2 1.875 volume 0.3156 assi ((( attr rmsd < 0.897) and (attr rmsd > 0.797)) and bondedto(attr rmsd < 62.662 and attr rmsd > 61.662)) ( attr rmsd < 1.923 and attr rmsd > 1.823) 6 6 0 peak 13485 ppm1 0.847 ppm2 1.873 volume 0.3676 assi ((( attr rmsd < 0.897) and (attr rmsd > 0.797)) and bondedto(attr rmsd < 15.142 and attr rmsd > 14.142)) ( attr rmsd < 1.923 and attr rmsd > 1.823) 6 6 0 peak 23485 ppm1 0.847 ppm2 1.873 volume 0.3676 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 62.667 and attr rmsd > 61.667)) ( attr rmsd < 4.693 and attr rmsd > 4.593) 6 6 0 peak 13486 ppm1 0.769 ppm2 4.643 volume 0.1758 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 15.147 and attr rmsd > 14.147)) ( attr rmsd < 4.693 and attr rmsd > 4.593) 6 6 0 peak 23486 ppm1 0.769 ppm2 4.643 volume 0.1758 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 62.614 and attr rmsd > 61.614)) ( attr rmsd < 4.597 and attr rmsd > 4.497) 6 6 0 peak 13487 ppm1 0.768 ppm2 4.547 volume 0.2437 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 15.094 and attr rmsd > 14.094)) ( attr rmsd < 4.597 and attr rmsd > 4.497) 6 6 0 peak 23487 ppm1 0.768 ppm2 4.547 volume 0.2437 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 62.668 and attr rmsd > 61.668)) ( attr rmsd < 2.817 and attr rmsd > 2.717) 6 6 0 peak 13488 ppm1 0.769 ppm2 2.767 volume 0.3571 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 15.148 and attr rmsd > 14.148)) ( attr rmsd < 2.817 and attr rmsd > 2.717) 6 6 0 peak 23488 ppm1 0.769 ppm2 2.767 volume 0.3571 assi ((( attr rmsd < 0.824) and (attr rmsd > 0.724)) and bondedto(attr rmsd < 62.664 and attr rmsd > 61.664)) ( attr rmsd < 2.284 and attr rmsd > 2.184) 6 6 0 peak 13489 ppm1 0.774 ppm2 2.234 volume 0.1797 assi ((( attr rmsd < 0.824) and (attr rmsd > 0.724)) and bondedto(attr rmsd < 15.144 and attr rmsd > 14.144)) ( attr rmsd < 2.284 and attr rmsd > 2.184) 6 6 0 peak 23489 ppm1 0.774 ppm2 2.234 volume 0.1797 assi ((( attr rmsd < 0.820) and (attr rmsd > 0.720)) and bondedto(attr rmsd < 62.625 and attr rmsd > 61.625)) ( attr rmsd < 2.147 and attr rmsd > 2.047) 6 6 0 peak 13490 ppm1 0.770 ppm2 2.097 volume 0.2379 assi ((( attr rmsd < 0.820) and (attr rmsd > 0.720)) and bondedto(attr rmsd < 15.105 and attr rmsd > 14.105)) ( attr rmsd < 2.147 and attr rmsd > 2.047) 6 6 0 peak 23490 ppm1 0.770 ppm2 2.097 volume 0.2379 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 62.652 and attr rmsd > 61.652)) ( attr rmsd < 2.036 and attr rmsd > 1.936) 6 6 0 peak 13491 ppm1 0.768 ppm2 1.986 volume 0.4526 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 15.132 and attr rmsd > 14.132)) ( attr rmsd < 2.036 and attr rmsd > 1.936) 6 6 0 peak 23491 ppm1 0.768 ppm2 1.986 volume 0.4526 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 62.672 and attr rmsd > 61.672)) ( attr rmsd < 1.871 and attr rmsd > 1.771) 6 6 0 peak 13492 ppm1 0.769 ppm2 1.821 volume 0.4044 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 15.152 and attr rmsd > 14.152)) ( attr rmsd < 1.871 and attr rmsd > 1.771) 6 6 0 peak 23492 ppm1 0.769 ppm2 1.821 volume 0.4044 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 62.648 and attr rmsd > 61.648)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 13493 ppm1 0.768 ppm2 1.716 volume 1.1294 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 15.128 and attr rmsd > 14.128)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 23493 ppm1 0.768 ppm2 1.716 volume 1.1294 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 62.642 and attr rmsd > 61.642)) ( attr rmsd < 1.416 and attr rmsd > 1.316) 6 6 0 peak 13494 ppm1 0.768 ppm2 1.366 volume 1.2844 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 15.122 and attr rmsd > 14.122)) ( attr rmsd < 1.416 and attr rmsd > 1.316) 6 6 0 peak 23494 ppm1 0.768 ppm2 1.366 volume 1.2844 assi ((( attr rmsd < 0.820) and (attr rmsd > 0.720)) and bondedto(attr rmsd < 62.646 and attr rmsd > 61.646)) ( attr rmsd < 0.976 and attr rmsd > 0.876) 6 6 0 peak 13495 ppm1 0.770 ppm2 0.926 volume 2.9614 assi ((( attr rmsd < 0.820) and (attr rmsd > 0.720)) and bondedto(attr rmsd < 15.126 and attr rmsd > 14.126)) ( attr rmsd < 0.976 and attr rmsd > 0.876) 6 6 0 peak 23495 ppm1 0.770 ppm2 0.926 volume 2.9614 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 62.645 and attr rmsd > 61.645)) ( attr rmsd < 0.825 and attr rmsd > 0.725) 6 6 0 peak 13496 ppm1 0.769 ppm2 0.775 volume 34.9495 assi ((( attr rmsd < 0.819) and (attr rmsd > 0.719)) and bondedto(attr rmsd < 15.125 and attr rmsd > 14.125)) ( attr rmsd < 0.825 and attr rmsd > 0.725) 6 6 0 peak 23496 ppm1 0.769 ppm2 0.775 volume 34.9495 assi ((( attr rmsd < 0.730) and (attr rmsd > 0.630)) and bondedto(attr rmsd < 62.545 and attr rmsd > 61.545)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 13497 ppm1 0.680 ppm2 4.621 volume 0.2839 assi ((( attr rmsd < 0.730) and (attr rmsd > 0.630)) and bondedto(attr rmsd < 15.025 and attr rmsd > 14.025)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 23497 ppm1 0.680 ppm2 4.621 volume 0.2839 assi ((( attr rmsd < 0.730) and (attr rmsd > 0.630)) and bondedto(attr rmsd < 62.583 and attr rmsd > 61.583)) ( attr rmsd < 4.527 and attr rmsd > 4.427) 6 6 0 peak 13498 ppm1 0.680 ppm2 4.477 volume 0.2030 assi ((( attr rmsd < 0.730) and (attr rmsd > 0.630)) and bondedto(attr rmsd < 15.063 and attr rmsd > 14.063)) ( attr rmsd < 4.527 and attr rmsd > 4.427) 6 6 0 peak 23498 ppm1 0.680 ppm2 4.477 volume 0.2030 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 62.612 and attr rmsd > 61.612)) ( attr rmsd < 3.835 and attr rmsd > 3.735) 6 6 0 peak 13499 ppm1 0.682 ppm2 3.785 volume 0.3202 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 15.092 and attr rmsd > 14.092)) ( attr rmsd < 3.835 and attr rmsd > 3.735) 6 6 0 peak 23499 ppm1 0.682 ppm2 3.785 volume 0.3202 assi ((( attr rmsd < 0.733) and (attr rmsd > 0.633)) and bondedto(attr rmsd < 62.608 and attr rmsd > 61.608)) ( attr rmsd < 2.980 and attr rmsd > 2.880) 6 6 0 peak 13500 ppm1 0.683 ppm2 2.930 volume 0.4401 assi ((( attr rmsd < 0.733) and (attr rmsd > 0.633)) and bondedto(attr rmsd < 15.088 and attr rmsd > 14.088)) ( attr rmsd < 2.980 and attr rmsd > 2.880) 6 6 0 peak 23500 ppm1 0.683 ppm2 2.930 volume 0.4401 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 62.609 and attr rmsd > 61.609)) ( attr rmsd < 2.749 and attr rmsd > 2.649) 6 6 0 peak 13501 ppm1 0.682 ppm2 2.699 volume 0.4243 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 15.089 and attr rmsd > 14.089)) ( attr rmsd < 2.749 and attr rmsd > 2.649) 6 6 0 peak 23501 ppm1 0.682 ppm2 2.699 volume 0.4243 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 62.600 and attr rmsd > 61.600)) ( attr rmsd < 2.321 and attr rmsd > 2.221) 6 6 0 peak 13502 ppm1 0.682 ppm2 2.271 volume 0.7944 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 15.080 and attr rmsd > 14.080)) ( attr rmsd < 2.321 and attr rmsd > 2.221) 6 6 0 peak 23502 ppm1 0.682 ppm2 2.271 volume 0.7944 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 62.601 and attr rmsd > 61.601)) ( attr rmsd < 1.753 and attr rmsd > 1.653) 6 6 0 peak 13503 ppm1 0.682 ppm2 1.703 volume 1.2285 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 15.081 and attr rmsd > 14.081)) ( attr rmsd < 1.753 and attr rmsd > 1.653) 6 6 0 peak 23503 ppm1 0.682 ppm2 1.703 volume 1.2285 assi ((( attr rmsd < 0.730) and (attr rmsd > 0.630)) and bondedto(attr rmsd < 62.598 and attr rmsd > 61.598)) ( attr rmsd < 1.351 and attr rmsd > 1.251) 6 6 0 peak 13504 ppm1 0.680 ppm2 1.301 volume 1.4728 assi ((( attr rmsd < 0.730) and (attr rmsd > 0.630)) and bondedto(attr rmsd < 15.078 and attr rmsd > 14.078)) ( attr rmsd < 1.351 and attr rmsd > 1.251) 6 6 0 peak 23504 ppm1 0.680 ppm2 1.301 volume 1.4728 assi ((( attr rmsd < 0.731) and (attr rmsd > 0.631)) and bondedto(attr rmsd < 62.613 and attr rmsd > 61.613)) ( attr rmsd < 0.988 and attr rmsd > 0.888) 6 6 0 peak 13505 ppm1 0.681 ppm2 0.938 volume 1.9740 assi ((( attr rmsd < 0.731) and (attr rmsd > 0.631)) and bondedto(attr rmsd < 15.093 and attr rmsd > 14.093)) ( attr rmsd < 0.988 and attr rmsd > 0.888) 6 6 0 peak 23505 ppm1 0.681 ppm2 0.938 volume 1.9740 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 62.570 and attr rmsd > 61.570)) ( attr rmsd < 0.739 and attr rmsd > 0.639) 6 6 0 peak 13506 ppm1 0.682 ppm2 0.689 volume 20.7226 assi ((( attr rmsd < 0.732) and (attr rmsd > 0.632)) and bondedto(attr rmsd < 15.050 and attr rmsd > 14.050)) ( attr rmsd < 0.739 and attr rmsd > 0.639) 6 6 0 peak 23506 ppm1 0.682 ppm2 0.689 volume 20.7226 assi ((( attr rmsd < 4.190) and (attr rmsd > 4.090)) and bondedto(attr rmsd < 38.902 and attr rmsd > 37.902)) ( attr rmsd < 1.926 and attr rmsd > 1.826) 6 6 0 peak 3507 ppm1 4.140 ppm2 1.876 volume 0.3122 assi ((( attr rmsd < 4.171) and (attr rmsd > 4.071)) and bondedto(attr rmsd < 38.805 and attr rmsd > 37.805)) ( attr rmsd < 4.282 and attr rmsd > 4.182) 6 6 0 peak 3508 ppm1 4.121 ppm2 4.232 volume 0.1846 assi ((( attr rmsd < 4.159) and (attr rmsd > 4.059)) and bondedto(attr rmsd < 38.798 and attr rmsd > 37.798)) ( attr rmsd < 4.062 and attr rmsd > 3.962) 6 6 0 peak 3509 ppm1 4.109 ppm2 4.012 volume 1.4845 assi ((( attr rmsd < 4.142) and (attr rmsd > 4.042)) and bondedto(attr rmsd < 38.759 and attr rmsd > 37.759)) ( attr rmsd < 4.251 and attr rmsd > 4.151) 6 6 0 peak 3510 ppm1 4.092 ppm2 4.201 volume 0.5545 assi ((( attr rmsd < 4.144) and (attr rmsd > 4.044)) and bondedto(attr rmsd < 38.797 and attr rmsd > 37.797)) ( attr rmsd < 3.701 and attr rmsd > 3.601) 6 6 0 peak 3511 ppm1 4.094 ppm2 3.651 volume 0.1517 assi ((( attr rmsd < 4.155) and (attr rmsd > 4.055)) and bondedto(attr rmsd < 38.850 and attr rmsd > 37.850)) ( attr rmsd < 0.829 and attr rmsd > 0.729) 6 6 0 peak 3512 ppm1 4.105 ppm2 0.779 volume 0.2078 assi ((( attr rmsd < 4.148) and (attr rmsd > 4.048)) and bondedto(attr rmsd < 38.796 and attr rmsd > 37.796)) ( attr rmsd < 0.542 and attr rmsd > 0.442) 6 6 0 peak 3513 ppm1 4.098 ppm2 0.492 volume 0.1592 assi ((( attr rmsd < 3.945) and (attr rmsd > 3.845)) and bondedto(attr rmsd < 38.756 and attr rmsd > 37.756)) ( attr rmsd < 4.158 and attr rmsd > 4.058) 6 6 0 peak 3514 ppm1 3.895 ppm2 4.108 volume 0.1479 assi ((( attr rmsd < 2.506) and (attr rmsd > 2.406)) and bondedto(attr rmsd < 38.863 and attr rmsd > 37.863)) ( attr rmsd < 0.821 and attr rmsd > 0.721) 6 6 0 peak 3515 ppm1 2.456 ppm2 0.771 volume 0.1566 assi ((( attr rmsd < 2.167) and (attr rmsd > 2.067)) and bondedto(attr rmsd < 38.820 and attr rmsd > 37.820)) ( attr rmsd < 4.152 and attr rmsd > 4.052) 6 6 0 peak 3516 ppm1 2.117 ppm2 4.102 volume 0.1537 assi ((( attr rmsd < 2.163) and (attr rmsd > 2.063)) and bondedto(attr rmsd < 38.760 and attr rmsd > 37.760)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 3517 ppm1 2.113 ppm2 2.111 volume 1.3026 assi ((( attr rmsd < 2.062) and (attr rmsd > 1.962)) and bondedto(attr rmsd < 38.735 and attr rmsd > 37.735)) ( attr rmsd < 4.156 and attr rmsd > 4.056) 6 6 0 peak 3518 ppm1 2.012 ppm2 4.106 volume 0.1461 assi ((( attr rmsd < 1.918) and (attr rmsd > 1.818)) and bondedto(attr rmsd < 38.893 and attr rmsd > 37.893)) ( attr rmsd < 4.191 and attr rmsd > 4.091) 6 6 0 peak 3519 ppm1 1.868 ppm2 4.141 volume 0.4275 assi ((( attr rmsd < 1.918) and (attr rmsd > 1.818)) and bondedto(attr rmsd < 38.908 and attr rmsd > 37.908)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 3520 ppm1 1.868 ppm2 1.874 volume 12.2121 assi ((( attr rmsd < 1.915) and (attr rmsd > 1.815)) and bondedto(attr rmsd < 38.895 and attr rmsd > 37.895)) ( attr rmsd < 0.941 and attr rmsd > 0.841) 6 6 0 peak 3521 ppm1 1.865 ppm2 0.891 volume 0.9909 assi ((( attr rmsd < 1.908) and (attr rmsd > 1.808)) and bondedto(attr rmsd < 38.869 and attr rmsd > 37.869)) ( attr rmsd < 1.542 and attr rmsd > 1.442) 6 6 0 peak 3522 ppm1 1.858 ppm2 1.492 volume 0.2073 assi ((( attr rmsd < 1.682) and (attr rmsd > 1.582)) and bondedto(attr rmsd < 38.767 and attr rmsd > 37.767)) ( attr rmsd < 4.704 and attr rmsd > 4.604) 6 6 0 peak 3523 ppm1 1.632 ppm2 4.654 volume 0.2160 assi ((( attr rmsd < 1.683) and (attr rmsd > 1.583)) and bondedto(attr rmsd < 38.761 and attr rmsd > 37.761)) ( attr rmsd < 1.173 and attr rmsd > 1.073) 6 6 0 peak 3524 ppm1 1.633 ppm2 1.123 volume 0.2490 assi ((( attr rmsd < 1.684) and (attr rmsd > 1.584)) and bondedto(attr rmsd < 38.794 and attr rmsd > 37.794)) ( attr rmsd < 0.806 and attr rmsd > 0.706) 6 6 0 peak 3525 ppm1 1.634 ppm2 0.756 volume 0.3212 assi ((( attr rmsd < 1.561) and (attr rmsd > 1.461)) and bondedto(attr rmsd < 38.765 and attr rmsd > 37.765)) ( attr rmsd < 1.564 and attr rmsd > 1.464) 6 6 0 peak 3526 ppm1 1.511 ppm2 1.514 volume 0.2471 assi ((( attr rmsd < 1.521) and (attr rmsd > 1.421)) and bondedto(attr rmsd < 38.869 and attr rmsd > 37.869)) ( attr rmsd < 1.527 and attr rmsd > 1.427) 6 6 0 peak 3527 ppm1 1.471 ppm2 1.477 volume 0.2094 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 38.876 and attr rmsd > 37.876)) ( attr rmsd < 0.819 and attr rmsd > 0.719) 6 6 0 peak 3528 ppm1 1.419 ppm2 0.769 volume 0.2338 assi ((( attr rmsd < 1.346) and (attr rmsd > 1.246)) and bondedto(attr rmsd < 38.877 and attr rmsd > 37.877)) ( attr rmsd < 0.824 and attr rmsd > 0.724) 6 6 0 peak 3529 ppm1 1.296 ppm2 0.774 volume 0.2065 assi ((( attr rmsd < 1.256) and (attr rmsd > 1.156)) and bondedto(attr rmsd < 38.890 and attr rmsd > 37.890)) ( attr rmsd < 1.928 and attr rmsd > 1.828) 6 6 0 peak 3530 ppm1 1.206 ppm2 1.878 volume 0.2149 assi ((( attr rmsd < 1.197) and (attr rmsd > 1.097)) and bondedto(attr rmsd < 38.862 and attr rmsd > 37.862)) ( attr rmsd < 0.821 and attr rmsd > 0.721) 6 6 0 peak 3531 ppm1 1.147 ppm2 0.771 volume 0.2205 assi ((( attr rmsd < 1.110) and (attr rmsd > 1.010)) and bondedto(attr rmsd < 38.865 and attr rmsd > 37.865)) ( attr rmsd < 0.818 and attr rmsd > 0.718) 6 6 0 peak 3532 ppm1 1.060 ppm2 0.768 volume 0.2199 assi ((( attr rmsd < 1.018) and (attr rmsd > 0.918)) and bondedto(attr rmsd < 38.898 and attr rmsd > 37.898)) ( attr rmsd < 0.818 and attr rmsd > 0.718) 6 6 0 peak 3533 ppm1 0.968 ppm2 0.768 volume 0.3527 assi ((( attr rmsd < 0.940) and (attr rmsd > 0.840)) and bondedto(attr rmsd < 38.898 and attr rmsd > 37.898)) ( attr rmsd < 1.914 and attr rmsd > 1.814) 6 6 0 peak 3534 ppm1 0.890 ppm2 1.864 volume 0.7971 assi ((( attr rmsd < 0.828) and (attr rmsd > 0.728)) and bondedto(attr rmsd < 38.879 and attr rmsd > 37.879)) ( attr rmsd < 0.728 and attr rmsd > 0.628) 6 6 0 peak 3535 ppm1 0.778 ppm2 0.678 volume 2.8495 assi ((( attr rmsd < 0.817) and (attr rmsd > 0.717)) and bondedto(attr rmsd < 38.887 and attr rmsd > 37.887)) ( attr rmsd < 0.606 and attr rmsd > 0.506) 6 6 0 peak 3536 ppm1 0.767 ppm2 0.556 volume 0.7902 assi ((( attr rmsd < 0.816) and (attr rmsd > 0.716)) and bondedto(attr rmsd < 38.896 and attr rmsd > 37.896)) ( attr rmsd < 0.146 and attr rmsd > 0.046) 6 6 0 peak 3537 ppm1 0.766 ppm2 0.096 volume 0.5023 assi ((( attr rmsd < 0.815) and (attr rmsd > 0.715)) and bondedto(attr rmsd < 38.871 and attr rmsd > 37.871)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 3538 ppm1 0.765 ppm2 -0.011 volume 0.5676 assi ((( attr rmsd < 0.726) and (attr rmsd > 0.626)) and bondedto(attr rmsd < 38.817 and attr rmsd > 37.817)) ( attr rmsd < 0.619 and attr rmsd > 0.519) 6 6 0 peak 3539 ppm1 0.676 ppm2 0.569 volume 1.2759 assi ((( attr rmsd < 0.729) and (attr rmsd > 0.629)) and bondedto(attr rmsd < 38.812 and attr rmsd > 37.812)) ( attr rmsd < 0.546 and attr rmsd > 0.446) 6 6 0 peak 3540 ppm1 0.679 ppm2 0.496 volume 0.7023 assi ((( attr rmsd < 0.726) and (attr rmsd > 0.626)) and bondedto(attr rmsd < 38.818 and attr rmsd > 37.818)) ( attr rmsd < 0.316 and attr rmsd > 0.216) 6 6 0 peak 3541 ppm1 0.676 ppm2 0.266 volume 0.4855 assi ((( attr rmsd < 0.728) and (attr rmsd > 0.628)) and bondedto(attr rmsd < 38.781 and attr rmsd > 37.781)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 3542 ppm1 0.678 ppm2 -0.011 volume 0.5288 assi ((( attr rmsd < 2.145) and (attr rmsd > 2.045)) and bondedto(attr rmsd < 62.453 and attr rmsd > 61.453)) ( attr rmsd < 2.247 and attr rmsd > 2.147) 6 6 0 peak 13543 ppm1 2.095 ppm2 2.197 volume 0.1799 assi ((( attr rmsd < 2.145) and (attr rmsd > 2.045)) and bondedto(attr rmsd < 14.933 and attr rmsd > 13.933)) ( attr rmsd < 2.247 and attr rmsd > 2.147) 6 6 0 peak 23543 ppm1 2.095 ppm2 2.197 volume 0.1799 assi ((( attr rmsd < 4.147) and (attr rmsd > 4.047)) and bondedto(attr rmsd < 38.700 and attr rmsd > 37.700)) ( attr rmsd < 0.719 and attr rmsd > 0.619) 6 6 0 peak 3544 ppm1 4.097 ppm2 0.669 volume 0.1928 assi ((( attr rmsd < 4.070) and (attr rmsd > 3.970)) and bondedto(attr rmsd < 38.586 and attr rmsd > 37.586)) ( attr rmsd < 4.166 and attr rmsd > 4.066) 6 6 0 peak 3545 ppm1 4.020 ppm2 4.116 volume 0.1716 assi ((( attr rmsd < 3.912) and (attr rmsd > 3.812)) and bondedto(attr rmsd < 38.697 and attr rmsd > 37.697)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 3546 ppm1 3.862 ppm2 3.866 volume 0.9999 assi ((( attr rmsd < 3.364) and (attr rmsd > 3.264)) and bondedto(attr rmsd < 38.607 and attr rmsd > 37.607)) ( attr rmsd < 4.809 and attr rmsd > 4.709) 6 6 0 peak 3547 ppm1 3.314 ppm2 4.759 volume 0.6089 assi ((( attr rmsd < 3.364) and (attr rmsd > 3.264)) and bondedto(attr rmsd < 38.606 and attr rmsd > 37.606)) ( attr rmsd < 3.368 and attr rmsd > 3.268) 6 6 0 peak 3548 ppm1 3.314 ppm2 3.318 volume 1.1325 assi ((( attr rmsd < 3.360) and (attr rmsd > 3.260)) and bondedto(attr rmsd < 38.608 and attr rmsd > 37.608)) ( attr rmsd < 3.028 and attr rmsd > 2.928) 6 6 0 peak 3549 ppm1 3.310 ppm2 2.978 volume 1.1332 assi ((( attr rmsd < 3.027) and (attr rmsd > 2.927)) and bondedto(attr rmsd < 38.609 and attr rmsd > 37.609)) ( attr rmsd < 4.811 and attr rmsd > 4.711) 6 6 0 peak 3550 ppm1 2.977 ppm2 4.761 volume 0.6107 assi ((( attr rmsd < 3.027) and (attr rmsd > 2.927)) and bondedto(attr rmsd < 38.614 and attr rmsd > 37.614)) ( attr rmsd < 3.370 and attr rmsd > 3.270) 6 6 0 peak 3551 ppm1 2.977 ppm2 3.320 volume 1.2248 assi ((( attr rmsd < 3.026) and (attr rmsd > 2.926)) and bondedto(attr rmsd < 38.607 and attr rmsd > 37.607)) ( attr rmsd < 3.023 and attr rmsd > 2.923) 6 6 0 peak 3552 ppm1 2.976 ppm2 2.973 volume 1.3184 assi ((( attr rmsd < 1.679) and (attr rmsd > 1.579)) and bondedto(attr rmsd < 38.718 and attr rmsd > 37.718)) ( attr rmsd < 1.686 and attr rmsd > 1.586) 6 6 0 peak 3553 ppm1 1.629 ppm2 1.636 volume 1.1609 assi ((( attr rmsd < 1.681) and (attr rmsd > 1.581)) and bondedto(attr rmsd < 38.711 and attr rmsd > 37.711)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 3554 ppm1 1.631 ppm2 0.545 volume 0.5444 assi ((( attr rmsd < 1.673) and (attr rmsd > 1.573)) and bondedto(attr rmsd < 38.704 and attr rmsd > 37.704)) ( attr rmsd < 1.382 and attr rmsd > 1.282) 6 6 0 peak 3555 ppm1 1.623 ppm2 1.332 volume 0.2729 assi ((( attr rmsd < 1.674) and (attr rmsd > 1.574)) and bondedto(attr rmsd < 38.678 and attr rmsd > 37.678)) ( attr rmsd < 0.710 and attr rmsd > 0.610) 6 6 0 peak 3556 ppm1 1.624 ppm2 0.660 volume 0.4445 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 62.117 and attr rmsd > 61.117)) ( attr rmsd < 1.920 and attr rmsd > 1.820) 6 6 0 peak 13557 ppm1 4.343 ppm2 1.870 volume 0.1716 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 14.597 and attr rmsd > 13.597)) ( attr rmsd < 1.920 and attr rmsd > 1.820) 6 6 0 peak 23557 ppm1 4.343 ppm2 1.870 volume 0.1716 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 62.190 and attr rmsd > 61.190)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 13558 ppm1 0.540 ppm2 0.545 volume 2.0972 assi ((( attr rmsd < 0.590) and (attr rmsd > 0.490)) and bondedto(attr rmsd < 14.670 and attr rmsd > 13.670)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 23558 ppm1 0.540 ppm2 0.545 volume 2.0972 assi ((( attr rmsd < 0.588) and (attr rmsd > 0.488)) and bondedto(attr rmsd < 62.223 and attr rmsd > 61.223)) ( attr rmsd < 0.429 and attr rmsd > 0.329) 6 6 0 peak 13559 ppm1 0.538 ppm2 0.379 volume 0.1829 assi ((( attr rmsd < 0.588) and (attr rmsd > 0.488)) and bondedto(attr rmsd < 14.703 and attr rmsd > 13.703)) ( attr rmsd < 0.429 and attr rmsd > 0.329) 6 6 0 peak 23559 ppm1 0.538 ppm2 0.379 volume 0.1829 assi ((( attr rmsd < 3.723) and (attr rmsd > 3.623)) and bondedto(attr rmsd < 38.400 and attr rmsd > 37.400)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 3560 ppm1 3.673 ppm2 3.596 volume 0.3849 assi ((( attr rmsd < 3.637) and (attr rmsd > 3.537)) and bondedto(attr rmsd < 38.445 and attr rmsd > 37.445)) ( attr rmsd < 3.722 and attr rmsd > 3.622) 6 6 0 peak 3561 ppm1 3.587 ppm2 3.672 volume 0.2000 assi ((( attr rmsd < 4.904) and (attr rmsd > 4.804)) and bondedto(attr rmsd < 62.022 and attr rmsd > 61.022)) ( attr rmsd < 4.399 and attr rmsd > 4.299) 6 6 0 peak 13562 ppm1 4.854 ppm2 4.349 volume 0.2211 assi ((( attr rmsd < 4.904) and (attr rmsd > 4.804)) and bondedto(attr rmsd < 14.502 and attr rmsd > 13.502)) ( attr rmsd < 4.399 and attr rmsd > 4.299) 6 6 0 peak 23562 ppm1 4.854 ppm2 4.349 volume 0.2211 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 61.959 and attr rmsd > 60.959)) ( attr rmsd < 0.934 and attr rmsd > 0.834) 6 6 0 peak 13563 ppm1 4.855 ppm2 0.884 volume 0.2416 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 14.439 and attr rmsd > 13.439)) ( attr rmsd < 0.934 and attr rmsd > 0.834) 6 6 0 peak 23563 ppm1 4.855 ppm2 0.884 volume 0.2416 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 62.006 and attr rmsd > 61.006)) ( attr rmsd < 0.703 and attr rmsd > 0.603) 6 6 0 peak 13564 ppm1 4.849 ppm2 0.653 volume 0.2904 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 14.486 and attr rmsd > 13.486)) ( attr rmsd < 0.703 and attr rmsd > 0.603) 6 6 0 peak 23564 ppm1 4.849 ppm2 0.653 volume 0.2904 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 61.957 and attr rmsd > 60.957)) ( attr rmsd < 0.923 and attr rmsd > 0.823) 6 6 0 peak 13565 ppm1 4.731 ppm2 0.873 volume 0.2291 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 14.437 and attr rmsd > 13.437)) ( attr rmsd < 0.923 and attr rmsd > 0.823) 6 6 0 peak 23565 ppm1 4.731 ppm2 0.873 volume 0.2291 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 61.996 and attr rmsd > 60.996)) ( attr rmsd < 0.707 and attr rmsd > 0.607) 6 6 0 peak 13566 ppm1 4.713 ppm2 0.657 volume 0.3553 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 14.476 and attr rmsd > 13.476)) ( attr rmsd < 0.707 and attr rmsd > 0.607) 6 6 0 peak 23566 ppm1 4.713 ppm2 0.657 volume 0.3553 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 61.996 and attr rmsd > 60.996)) ( attr rmsd < 4.398 and attr rmsd > 4.298) 6 6 0 peak 13567 ppm1 4.343 ppm2 4.348 volume 1.5384 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 14.476 and attr rmsd > 13.476)) ( attr rmsd < 4.398 and attr rmsd > 4.298) 6 6 0 peak 23567 ppm1 4.343 ppm2 4.348 volume 1.5384 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 62.008 and attr rmsd > 61.008)) ( attr rmsd < 1.798 and attr rmsd > 1.698) 6 6 0 peak 13568 ppm1 4.343 ppm2 1.748 volume 0.3423 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 14.488 and attr rmsd > 13.488)) ( attr rmsd < 1.798 and attr rmsd > 1.698) 6 6 0 peak 23568 ppm1 4.343 ppm2 1.748 volume 0.3423 assi ((( attr rmsd < 4.391) and (attr rmsd > 4.291)) and bondedto(attr rmsd < 62.041 and attr rmsd > 61.041)) ( attr rmsd < 0.980 and attr rmsd > 0.880) 6 6 0 peak 13569 ppm1 4.341 ppm2 0.930 volume 0.6563 assi ((( attr rmsd < 4.391) and (attr rmsd > 4.291)) and bondedto(attr rmsd < 14.521 and attr rmsd > 13.521)) ( attr rmsd < 0.980 and attr rmsd > 0.880) 6 6 0 peak 23569 ppm1 4.341 ppm2 0.930 volume 0.6563 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 61.993 and attr rmsd > 60.993)) ( attr rmsd < 0.790 and attr rmsd > 0.690) 6 6 0 peak 13570 ppm1 4.343 ppm2 0.740 volume 0.2775 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 14.473 and attr rmsd > 13.473)) ( attr rmsd < 0.790 and attr rmsd > 0.690) 6 6 0 peak 23570 ppm1 4.343 ppm2 0.740 volume 0.2775 assi ((( attr rmsd < 4.389) and (attr rmsd > 4.289)) and bondedto(attr rmsd < 62.041 and attr rmsd > 61.041)) ( attr rmsd < 4.733 and attr rmsd > 4.633) 6 6 0 peak 13571 ppm1 4.339 ppm2 4.683 volume 0.2825 assi ((( attr rmsd < 4.389) and (attr rmsd > 4.289)) and bondedto(attr rmsd < 14.521 and attr rmsd > 13.521)) ( attr rmsd < 4.733 and attr rmsd > 4.633) 6 6 0 peak 23571 ppm1 4.339 ppm2 4.683 volume 0.2825 assi ((( attr rmsd < 3.121) and (attr rmsd > 3.021)) and bondedto(attr rmsd < 62.061 and attr rmsd > 61.061)) ( attr rmsd < 3.135 and attr rmsd > 3.035) 6 6 0 peak 13572 ppm1 3.071 ppm2 3.085 volume 0.3126 assi ((( attr rmsd < 3.121) and (attr rmsd > 3.021)) and bondedto(attr rmsd < 14.541 and attr rmsd > 13.541)) ( attr rmsd < 3.135 and attr rmsd > 3.035) 6 6 0 peak 23572 ppm1 3.071 ppm2 3.085 volume 0.3126 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 62.032 and attr rmsd > 61.032)) ( attr rmsd < 3.093 and attr rmsd > 2.993) 6 6 0 peak 13573 ppm1 3.030 ppm2 3.043 volume 0.5443 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 14.512 and attr rmsd > 13.512)) ( attr rmsd < 3.093 and attr rmsd > 2.993) 6 6 0 peak 23573 ppm1 3.030 ppm2 3.043 volume 0.5443 assi ((( attr rmsd < 2.154) and (attr rmsd > 2.054)) and bondedto(attr rmsd < 62.071 and attr rmsd > 61.071)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 13574 ppm1 2.104 ppm2 2.111 volume 0.2998 assi ((( attr rmsd < 2.154) and (attr rmsd > 2.054)) and bondedto(attr rmsd < 14.551 and attr rmsd > 13.551)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 23574 ppm1 2.104 ppm2 2.111 volume 0.2998 assi ((( attr rmsd < 0.919) and (attr rmsd > 0.819)) and bondedto(attr rmsd < 61.965 and attr rmsd > 60.965)) ( attr rmsd < 0.923 and attr rmsd > 0.823) 6 6 0 peak 13575 ppm1 0.869 ppm2 0.873 volume 19.6427 assi ((( attr rmsd < 0.919) and (attr rmsd > 0.819)) and bondedto(attr rmsd < 14.445 and attr rmsd > 13.445)) ( attr rmsd < 0.923 and attr rmsd > 0.823) 6 6 0 peak 23575 ppm1 0.869 ppm2 0.873 volume 19.6427 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 62.009 and attr rmsd > 61.009)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13576 ppm1 0.645 ppm2 4.774 volume 0.6696 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 14.489 and attr rmsd > 13.489)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23576 ppm1 0.645 ppm2 4.774 volume 0.6696 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 62.084 and attr rmsd > 61.084)) ( attr rmsd < 4.698 and attr rmsd > 4.598) 6 6 0 peak 13577 ppm1 0.648 ppm2 4.648 volume 0.3359 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 14.564 and attr rmsd > 13.564)) ( attr rmsd < 4.698 and attr rmsd > 4.598) 6 6 0 peak 23577 ppm1 0.648 ppm2 4.648 volume 0.3359 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 62.069 and attr rmsd > 61.069)) ( attr rmsd < 1.691 and attr rmsd > 1.591) 6 6 0 peak 13578 ppm1 0.648 ppm2 1.641 volume 0.9129 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 14.549 and attr rmsd > 13.549)) ( attr rmsd < 1.691 and attr rmsd > 1.591) 6 6 0 peak 23578 ppm1 0.648 ppm2 1.641 volume 0.9129 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 62.043 and attr rmsd > 61.043)) ( attr rmsd < 1.170 and attr rmsd > 1.070) 6 6 0 peak 13579 ppm1 0.648 ppm2 1.120 volume 0.3922 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 14.523 and attr rmsd > 13.523)) ( attr rmsd < 1.170 and attr rmsd > 1.070) 6 6 0 peak 23579 ppm1 0.648 ppm2 1.120 volume 0.3922 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 61.950 and attr rmsd > 60.950)) ( attr rmsd < 0.706 and attr rmsd > 0.606) 6 6 0 peak 13580 ppm1 0.648 ppm2 0.656 volume 25.4560 assi ((( attr rmsd < 0.698) and (attr rmsd > 0.598)) and bondedto(attr rmsd < 14.430 and attr rmsd > 13.430)) ( attr rmsd < 0.706 and attr rmsd > 0.606) 6 6 0 peak 23580 ppm1 0.648 ppm2 0.656 volume 25.4560 assi ((( attr rmsd < 4.722) and (attr rmsd > 4.622)) and bondedto(attr rmsd < 38.184 and attr rmsd > 37.184)) ( attr rmsd < 0.934 and attr rmsd > 0.834) 6 6 0 peak 3581 ppm1 4.672 ppm2 0.884 volume 0.1503 assi ((( attr rmsd < 4.692) and (attr rmsd > 4.592)) and bondedto(attr rmsd < 38.206 and attr rmsd > 37.206)) ( attr rmsd < 0.923 and attr rmsd > 0.823) 6 6 0 peak 3582 ppm1 4.642 ppm2 0.873 volume 0.1607 assi ((( attr rmsd < 4.605) and (attr rmsd > 4.505)) and bondedto(attr rmsd < 38.177 and attr rmsd > 37.177)) ( attr rmsd < 0.936 and attr rmsd > 0.836) 6 6 0 peak 3583 ppm1 4.555 ppm2 0.886 volume 0.1449 assi ((( attr rmsd < 4.035) and (attr rmsd > 3.935)) and bondedto(attr rmsd < 38.173 and attr rmsd > 37.173)) ( attr rmsd < 4.036 and attr rmsd > 3.936) 6 6 0 peak 3584 ppm1 3.985 ppm2 3.986 volume 0.5332 assi ((( attr rmsd < 1.437) and (attr rmsd > 1.337)) and bondedto(attr rmsd < 38.249 and attr rmsd > 37.249)) ( attr rmsd < 0.703 and attr rmsd > 0.603) 6 6 0 peak 3585 ppm1 1.387 ppm2 0.653 volume 0.1506 assi ((( attr rmsd < 1.302) and (attr rmsd > 1.202)) and bondedto(attr rmsd < 38.192 and attr rmsd > 37.192)) ( attr rmsd < 0.710 and attr rmsd > 0.610) 6 6 0 peak 3586 ppm1 1.252 ppm2 0.660 volume 0.1513 assi ((( attr rmsd < 0.919) and (attr rmsd > 0.819)) and bondedto(attr rmsd < 38.347 and attr rmsd > 37.347)) ( attr rmsd < 0.809 and attr rmsd > 0.709) 6 6 0 peak 3587 ppm1 0.869 ppm2 0.759 volume 0.3119 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 61.844 and attr rmsd > 60.844)) ( attr rmsd < 0.712 and attr rmsd > 0.612) 6 6 0 peak 13588 ppm1 4.893 ppm2 0.662 volume 0.1581 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 14.324 and attr rmsd > 13.324)) ( attr rmsd < 0.712 and attr rmsd > 0.612) 6 6 0 peak 23588 ppm1 4.893 ppm2 0.662 volume 0.1581 assi ((( attr rmsd < 4.278) and (attr rmsd > 4.178)) and bondedto(attr rmsd < 61.744 and attr rmsd > 60.744)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 13589 ppm1 4.228 ppm2 4.777 volume 0.2387 assi ((( attr rmsd < 4.278) and (attr rmsd > 4.178)) and bondedto(attr rmsd < 14.224 and attr rmsd > 13.224)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 23589 ppm1 4.228 ppm2 4.777 volume 0.2387 assi ((( attr rmsd < 4.280) and (attr rmsd > 4.180)) and bondedto(attr rmsd < 61.852 and attr rmsd > 60.852)) ( attr rmsd < 4.031 and attr rmsd > 3.931) 6 6 0 peak 13590 ppm1 4.230 ppm2 3.981 volume 0.8758 assi ((( attr rmsd < 4.280) and (attr rmsd > 4.180)) and bondedto(attr rmsd < 14.332 and attr rmsd > 13.332)) ( attr rmsd < 4.031 and attr rmsd > 3.931) 6 6 0 peak 23590 ppm1 4.230 ppm2 3.981 volume 0.8758 assi ((( attr rmsd < 4.276) and (attr rmsd > 4.176)) and bondedto(attr rmsd < 61.754 and attr rmsd > 60.754)) ( attr rmsd < 2.004 and attr rmsd > 1.904) 6 6 0 peak 13591 ppm1 4.226 ppm2 1.954 volume 0.1496 assi ((( attr rmsd < 4.276) and (attr rmsd > 4.176)) and bondedto(attr rmsd < 14.234 and attr rmsd > 13.234)) ( attr rmsd < 2.004 and attr rmsd > 1.904) 6 6 0 peak 23591 ppm1 4.226 ppm2 1.954 volume 0.1496 assi ((( attr rmsd < 1.796) and (attr rmsd > 1.696)) and bondedto(attr rmsd < 61.799 and attr rmsd > 60.799)) ( attr rmsd < 1.804 and attr rmsd > 1.704) 6 6 0 peak 13592 ppm1 1.746 ppm2 1.754 volume 0.3493 assi ((( attr rmsd < 1.796) and (attr rmsd > 1.696)) and bondedto(attr rmsd < 14.279 and attr rmsd > 13.279)) ( attr rmsd < 1.804 and attr rmsd > 1.704) 6 6 0 peak 23592 ppm1 1.746 ppm2 1.754 volume 0.3493 assi ((( attr rmsd < 1.781) and (attr rmsd > 1.681)) and bondedto(attr rmsd < 61.814 and attr rmsd > 60.814)) ( attr rmsd < 0.928 and attr rmsd > 0.828) 6 6 0 peak 13593 ppm1 1.731 ppm2 0.878 volume 0.2431 assi ((( attr rmsd < 1.781) and (attr rmsd > 1.681)) and bondedto(attr rmsd < 14.294 and attr rmsd > 13.294)) ( attr rmsd < 0.928 and attr rmsd > 0.828) 6 6 0 peak 23593 ppm1 1.731 ppm2 0.878 volume 0.2431 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 61.890 and attr rmsd > 60.890)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 13594 ppm1 0.865 ppm2 4.620 volume 0.1722 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 14.370 and attr rmsd > 13.370)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 23594 ppm1 0.865 ppm2 4.620 volume 0.1722 assi ((( attr rmsd < 0.916) and (attr rmsd > 0.816)) and bondedto(attr rmsd < 61.902 and attr rmsd > 60.902)) ( attr rmsd < 4.467 and attr rmsd > 4.367) 6 6 0 peak 13595 ppm1 0.866 ppm2 4.417 volume 0.9680 assi ((( attr rmsd < 0.916) and (attr rmsd > 0.816)) and bondedto(attr rmsd < 14.382 and attr rmsd > 13.382)) ( attr rmsd < 4.467 and attr rmsd > 4.367) 6 6 0 peak 23595 ppm1 0.866 ppm2 4.417 volume 0.9680 assi ((( attr rmsd < 0.912) and (attr rmsd > 0.812)) and bondedto(attr rmsd < 61.905 and attr rmsd > 60.905)) ( attr rmsd < 2.495 and attr rmsd > 2.395) 6 6 0 peak 13596 ppm1 0.862 ppm2 2.445 volume 0.1447 assi ((( attr rmsd < 0.912) and (attr rmsd > 0.812)) and bondedto(attr rmsd < 14.385 and attr rmsd > 13.385)) ( attr rmsd < 2.495 and attr rmsd > 2.395) 6 6 0 peak 23596 ppm1 0.862 ppm2 2.445 volume 0.1447 assi ((( attr rmsd < 0.910) and (attr rmsd > 0.810)) and bondedto(attr rmsd < 61.885 and attr rmsd > 60.885)) ( attr rmsd < 2.322 and attr rmsd > 2.222) 6 6 0 peak 13597 ppm1 0.860 ppm2 2.272 volume 0.2955 assi ((( attr rmsd < 0.910) and (attr rmsd > 0.810)) and bondedto(attr rmsd < 14.365 and attr rmsd > 13.365)) ( attr rmsd < 2.322 and attr rmsd > 2.222) 6 6 0 peak 23597 ppm1 0.860 ppm2 2.272 volume 0.2955 assi ((( attr rmsd < 0.918) and (attr rmsd > 0.818)) and bondedto(attr rmsd < 61.884 and attr rmsd > 60.884)) ( attr rmsd < 1.792 and attr rmsd > 1.692) 6 6 0 peak 13598 ppm1 0.868 ppm2 1.742 volume 2.3614 assi ((( attr rmsd < 0.918) and (attr rmsd > 0.818)) and bondedto(attr rmsd < 14.364 and attr rmsd > 13.364)) ( attr rmsd < 1.792 and attr rmsd > 1.692) 6 6 0 peak 23598 ppm1 0.868 ppm2 1.742 volume 2.3614 assi ((( attr rmsd < 0.912) and (attr rmsd > 0.812)) and bondedto(attr rmsd < 61.892 and attr rmsd > 60.892)) ( attr rmsd < 1.348 and attr rmsd > 1.248) 6 6 0 peak 13599 ppm1 0.862 ppm2 1.298 volume 1.1317 assi ((( attr rmsd < 0.912) and (attr rmsd > 0.812)) and bondedto(attr rmsd < 14.372 and attr rmsd > 13.372)) ( attr rmsd < 1.348 and attr rmsd > 1.248) 6 6 0 peak 23599 ppm1 0.862 ppm2 1.298 volume 1.1317 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 61.790 and attr rmsd > 60.790)) ( attr rmsd < 1.132 and attr rmsd > 1.032) 6 6 0 peak 13600 ppm1 0.864 ppm2 1.082 volume 0.2184 assi ((( attr rmsd < 0.914) and (attr rmsd > 0.814)) and bondedto(attr rmsd < 14.270 and attr rmsd > 13.270)) ( attr rmsd < 1.132 and attr rmsd > 1.032) 6 6 0 peak 23600 ppm1 0.864 ppm2 1.082 volume 0.2184 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 61.849 and attr rmsd > 60.849)) ( attr rmsd < 0.781 and attr rmsd > 0.681) 6 6 0 peak 13601 ppm1 0.857 ppm2 0.731 volume 0.5518 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 14.329 and attr rmsd > 13.329)) ( attr rmsd < 0.781 and attr rmsd > 0.681) 6 6 0 peak 23601 ppm1 0.857 ppm2 0.731 volume 0.5518 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 61.877 and attr rmsd > 60.877)) ( attr rmsd < 2.048 and attr rmsd > 1.948) 6 6 0 peak 13602 ppm1 0.645 ppm2 1.998 volume 0.1522 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 14.357 and attr rmsd > 13.357)) ( attr rmsd < 2.048 and attr rmsd > 1.948) 6 6 0 peak 23602 ppm1 0.645 ppm2 1.998 volume 0.1522 assi ((( attr rmsd < 4.669) and (attr rmsd > 4.569)) and bondedto(attr rmsd < 38.063 and attr rmsd > 37.063)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 3603 ppm1 4.619 ppm2 4.621 volume 0.3591 assi ((( attr rmsd < 3.178) and (attr rmsd > 3.078)) and bondedto(attr rmsd < 38.118 and attr rmsd > 37.118)) ( attr rmsd < 3.174 and attr rmsd > 3.074) 6 6 0 peak 3604 ppm1 3.128 ppm2 3.124 volume 0.3629 assi ((( attr rmsd < 1.589) and (attr rmsd > 1.489)) and bondedto(attr rmsd < 38.023 and attr rmsd > 37.023)) ( attr rmsd < 0.706 and attr rmsd > 0.606) 6 6 0 peak 3605 ppm1 1.539 ppm2 0.656 volume 0.1458 assi ((( attr rmsd < 1.263) and (attr rmsd > 1.163)) and bondedto(attr rmsd < 38.089 and attr rmsd > 37.089)) ( attr rmsd < 0.929 and attr rmsd > 0.829) 6 6 0 peak 3606 ppm1 1.213 ppm2 0.879 volume 0.1599 assi ((( attr rmsd < 0.818) and (attr rmsd > 0.718)) and bondedto(attr rmsd < 37.996 and attr rmsd > 36.996)) ( attr rmsd < 0.992 and attr rmsd > 0.892) 6 6 0 peak 3607 ppm1 0.768 ppm2 0.942 volume 0.2358 assi ((( attr rmsd < 0.823) and (attr rmsd > 0.723)) and bondedto(attr rmsd < 38.014 and attr rmsd > 37.014)) ( attr rmsd < 0.824 and attr rmsd > 0.724) 6 6 0 peak 3608 ppm1 0.773 ppm2 0.774 volume 3.4459 assi ((( attr rmsd < 5.210) and (attr rmsd > 5.110)) and bondedto(attr rmsd < 61.718 and attr rmsd > 60.718)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13609 ppm1 5.160 ppm2 4.776 volume 0.1468 assi ((( attr rmsd < 5.210) and (attr rmsd > 5.110)) and bondedto(attr rmsd < 14.198 and attr rmsd > 13.198)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23609 ppm1 5.160 ppm2 4.776 volume 0.1468 assi ((( attr rmsd < 5.100) and (attr rmsd > 5.000)) and bondedto(attr rmsd < 61.634 and attr rmsd > 60.634)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13610 ppm1 5.050 ppm2 4.776 volume 0.1586 assi ((( attr rmsd < 5.100) and (attr rmsd > 5.000)) and bondedto(attr rmsd < 14.114 and attr rmsd > 13.114)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23610 ppm1 5.050 ppm2 4.776 volume 0.1586 assi ((( attr rmsd < 4.880) and (attr rmsd > 4.780)) and bondedto(attr rmsd < 61.665 and attr rmsd > 60.665)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 13611 ppm1 4.830 ppm2 4.778 volume 0.1698 assi ((( attr rmsd < 4.880) and (attr rmsd > 4.780)) and bondedto(attr rmsd < 14.145 and attr rmsd > 13.145)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 23611 ppm1 4.830 ppm2 4.778 volume 0.1698 assi ((( attr rmsd < 4.755) and (attr rmsd > 4.655)) and bondedto(attr rmsd < 61.662 and attr rmsd > 60.662)) ( attr rmsd < 4.779 and attr rmsd > 4.679) 6 6 0 peak 13612 ppm1 4.705 ppm2 4.729 volume 0.2983 assi ((( attr rmsd < 4.755) and (attr rmsd > 4.655)) and bondedto(attr rmsd < 14.142 and attr rmsd > 13.142)) ( attr rmsd < 4.779 and attr rmsd > 4.679) 6 6 0 peak 23612 ppm1 4.705 ppm2 4.729 volume 0.2983 assi ((( attr rmsd < 4.273) and (attr rmsd > 4.173)) and bondedto(attr rmsd < 61.703 and attr rmsd > 60.703)) ( attr rmsd < 4.278 and attr rmsd > 4.178) 6 6 0 peak 13613 ppm1 4.223 ppm2 4.228 volume 3.4440 assi ((( attr rmsd < 4.273) and (attr rmsd > 4.173)) and bondedto(attr rmsd < 14.183 and attr rmsd > 13.183)) ( attr rmsd < 4.278 and attr rmsd > 4.178) 6 6 0 peak 23613 ppm1 4.223 ppm2 4.228 volume 3.4440 assi ((( attr rmsd < 3.773) and (attr rmsd > 3.673)) and bondedto(attr rmsd < 61.734 and attr rmsd > 60.734)) ( attr rmsd < 3.777 and attr rmsd > 3.677) 6 6 0 peak 13614 ppm1 3.723 ppm2 3.727 volume 0.1740 assi ((( attr rmsd < 3.773) and (attr rmsd > 3.673)) and bondedto(attr rmsd < 14.214 and attr rmsd > 13.214)) ( attr rmsd < 3.777 and attr rmsd > 3.677) 6 6 0 peak 23614 ppm1 3.723 ppm2 3.727 volume 0.1740 assi ((( attr rmsd < 2.512) and (attr rmsd > 2.412)) and bondedto(attr rmsd < 61.684 and attr rmsd > 60.684)) ( attr rmsd < 2.518 and attr rmsd > 2.418) 6 6 0 peak 13615 ppm1 2.462 ppm2 2.468 volume 0.2052 assi ((( attr rmsd < 2.512) and (attr rmsd > 2.412)) and bondedto(attr rmsd < 14.164 and attr rmsd > 13.164)) ( attr rmsd < 2.518 and attr rmsd > 2.418) 6 6 0 peak 23615 ppm1 2.462 ppm2 2.468 volume 0.2052 assi ((( attr rmsd < 2.482) and (attr rmsd > 2.382)) and bondedto(attr rmsd < 61.706 and attr rmsd > 60.706)) ( attr rmsd < 2.376 and attr rmsd > 2.276) 6 6 0 peak 13616 ppm1 2.432 ppm2 2.326 volume 0.1682 assi ((( attr rmsd < 2.482) and (attr rmsd > 2.382)) and bondedto(attr rmsd < 14.186 and attr rmsd > 13.186)) ( attr rmsd < 2.376 and attr rmsd > 2.276) 6 6 0 peak 23616 ppm1 2.432 ppm2 2.326 volume 0.1682 assi ((( attr rmsd < 2.371) and (attr rmsd > 2.271)) and bondedto(attr rmsd < 61.685 and attr rmsd > 60.685)) ( attr rmsd < 2.475 and attr rmsd > 2.375) 6 6 0 peak 13617 ppm1 2.321 ppm2 2.425 volume 0.2546 assi ((( attr rmsd < 2.371) and (attr rmsd > 2.271)) and bondedto(attr rmsd < 14.165 and attr rmsd > 13.165)) ( attr rmsd < 2.475 and attr rmsd > 2.375) 6 6 0 peak 23617 ppm1 2.321 ppm2 2.425 volume 0.2546 assi ((( attr rmsd < 2.140) and (attr rmsd > 2.040)) and bondedto(attr rmsd < 61.739 and attr rmsd > 60.739)) ( attr rmsd < 2.252 and attr rmsd > 2.152) 6 6 0 peak 13618 ppm1 2.090 ppm2 2.202 volume 0.2192 assi ((( attr rmsd < 2.140) and (attr rmsd > 2.040)) and bondedto(attr rmsd < 14.219 and attr rmsd > 13.219)) ( attr rmsd < 2.252 and attr rmsd > 2.152) 6 6 0 peak 23618 ppm1 2.090 ppm2 2.202 volume 0.2192 assi ((( attr rmsd < 1.921) and (attr rmsd > 1.821)) and bondedto(attr rmsd < 61.680 and attr rmsd > 60.680)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 13619 ppm1 1.871 ppm2 1.874 volume 1.0085 assi ((( attr rmsd < 1.921) and (attr rmsd > 1.821)) and bondedto(attr rmsd < 14.160 and attr rmsd > 13.160)) ( attr rmsd < 1.924 and attr rmsd > 1.824) 6 6 0 peak 23619 ppm1 1.871 ppm2 1.874 volume 1.0085 assi ((( attr rmsd < 4.907) and (attr rmsd > 4.807)) and bondedto(attr rmsd < 37.923 and attr rmsd > 36.923)) ( attr rmsd < 4.770 and attr rmsd > 4.670) 6 6 0 peak 3620 ppm1 4.857 ppm2 4.720 volume 0.1608 assi ((( attr rmsd < 4.711) and (attr rmsd > 4.611)) and bondedto(attr rmsd < 37.968 and attr rmsd > 36.968)) ( attr rmsd < 4.743 and attr rmsd > 4.643) 6 6 0 peak 3621 ppm1 4.661 ppm2 4.693 volume 0.4081 assi ((( attr rmsd < 4.143) and (attr rmsd > 4.043)) and bondedto(attr rmsd < 37.845 and attr rmsd > 36.845)) ( attr rmsd < 4.110 and attr rmsd > 4.010) 6 6 0 peak 3622 ppm1 4.093 ppm2 4.060 volume 0.3624 assi ((( attr rmsd < 3.904) and (attr rmsd > 3.804)) and bondedto(attr rmsd < 37.823 and attr rmsd > 36.823)) ( attr rmsd < 3.911 and attr rmsd > 3.811) 6 6 0 peak 3623 ppm1 3.854 ppm2 3.861 volume 0.4097 assi ((( attr rmsd < 1.073) and (attr rmsd > 0.973)) and bondedto(attr rmsd < 37.964 and attr rmsd > 36.964)) ( attr rmsd < 0.712 and attr rmsd > 0.612) 6 6 0 peak 3624 ppm1 1.023 ppm2 0.662 volume 0.2060 assi ((( attr rmsd < 1.042) and (attr rmsd > 0.942)) and bondedto(attr rmsd < 37.875 and attr rmsd > 36.875)) ( attr rmsd < 0.706 and attr rmsd > 0.606) 6 6 0 peak 3625 ppm1 0.992 ppm2 0.656 volume 0.2046 assi ((( attr rmsd < 4.190) and (attr rmsd > 4.090)) and bondedto(attr rmsd < 61.384 and attr rmsd > 60.384)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 13626 ppm1 4.140 ppm2 4.778 volume 0.4597 assi ((( attr rmsd < 4.190) and (attr rmsd > 4.090)) and bondedto(attr rmsd < 13.864 and attr rmsd > 12.864)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 23626 ppm1 4.140 ppm2 4.778 volume 0.4597 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 61.375 and attr rmsd > 60.375)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 13627 ppm1 4.142 ppm2 4.147 volume 11.2708 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 13.855 and attr rmsd > 12.855)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 23627 ppm1 4.142 ppm2 4.147 volume 11.2708 assi ((( attr rmsd < 4.191) and (attr rmsd > 4.091)) and bondedto(attr rmsd < 61.433 and attr rmsd > 60.433)) ( attr rmsd < 1.925 and attr rmsd > 1.825) 6 6 0 peak 13628 ppm1 4.141 ppm2 1.875 volume 0.3968 assi ((( attr rmsd < 4.191) and (attr rmsd > 4.091)) and bondedto(attr rmsd < 13.913 and attr rmsd > 12.913)) ( attr rmsd < 1.925 and attr rmsd > 1.825) 6 6 0 peak 23628 ppm1 4.141 ppm2 1.875 volume 0.3968 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 61.439 and attr rmsd > 60.439)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 13629 ppm1 4.142 ppm2 0.893 volume 0.6487 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 13.919 and attr rmsd > 12.919)) ( attr rmsd < 0.943 and attr rmsd > 0.843) 6 6 0 peak 23629 ppm1 4.142 ppm2 0.893 volume 0.6487 assi ((( attr rmsd < 2.321) and (attr rmsd > 2.221)) and bondedto(attr rmsd < 61.531 and attr rmsd > 60.531)) ( attr rmsd < 2.308 and attr rmsd > 2.208) 6 6 0 peak 13630 ppm1 2.271 ppm2 2.258 volume 0.4342 assi ((( attr rmsd < 2.321) and (attr rmsd > 2.221)) and bondedto(attr rmsd < 14.011 and attr rmsd > 13.011)) ( attr rmsd < 2.308 and attr rmsd > 2.208) 6 6 0 peak 23630 ppm1 2.271 ppm2 2.258 volume 0.4342 assi ((( attr rmsd < 1.919) and (attr rmsd > 1.819)) and bondedto(attr rmsd < 61.439 and attr rmsd > 60.439)) ( attr rmsd < 4.194 and attr rmsd > 4.094) 6 6 0 peak 13631 ppm1 1.869 ppm2 4.144 volume 0.2770 assi ((( attr rmsd < 1.919) and (attr rmsd > 1.819)) and bondedto(attr rmsd < 13.919 and attr rmsd > 12.919)) ( attr rmsd < 4.194 and attr rmsd > 4.094) 6 6 0 peak 23631 ppm1 1.869 ppm2 4.144 volume 0.2770 assi ((( attr rmsd < 1.681) and (attr rmsd > 1.581)) and bondedto(attr rmsd < 61.448 and attr rmsd > 60.448)) ( attr rmsd < 1.696 and attr rmsd > 1.596) 6 6 0 peak 13632 ppm1 1.631 ppm2 1.646 volume 0.1450 assi ((( attr rmsd < 1.681) and (attr rmsd > 1.581)) and bondedto(attr rmsd < 13.928 and attr rmsd > 12.928)) ( attr rmsd < 1.696 and attr rmsd > 1.596) 6 6 0 peak 23632 ppm1 1.631 ppm2 1.646 volume 0.1450 assi ((( attr rmsd < 1.530) and (attr rmsd > 1.430)) and bondedto(attr rmsd < 61.462 and attr rmsd > 60.462)) ( attr rmsd < 0.718 and attr rmsd > 0.618) 6 6 0 peak 13633 ppm1 1.480 ppm2 0.668 volume 0.1717 assi ((( attr rmsd < 1.530) and (attr rmsd > 1.430)) and bondedto(attr rmsd < 13.942 and attr rmsd > 12.942)) ( attr rmsd < 0.718 and attr rmsd > 0.618) 6 6 0 peak 23633 ppm1 1.480 ppm2 0.668 volume 0.1717 assi ((( attr rmsd < 0.710) and (attr rmsd > 0.610)) and bondedto(attr rmsd < 61.509 and attr rmsd > 60.509)) ( attr rmsd < 4.622 and attr rmsd > 4.522) 6 6 0 peak 13634 ppm1 0.660 ppm2 4.572 volume 0.1882 assi ((( attr rmsd < 0.710) and (attr rmsd > 0.610)) and bondedto(attr rmsd < 13.989 and attr rmsd > 12.989)) ( attr rmsd < 4.622 and attr rmsd > 4.522) 6 6 0 peak 23634 ppm1 0.660 ppm2 4.572 volume 0.1882 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 61.497 and attr rmsd > 60.497)) ( attr rmsd < 2.945 and attr rmsd > 2.845) 6 6 0 peak 13635 ppm1 0.661 ppm2 2.895 volume 0.1780 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 13.977 and attr rmsd > 12.977)) ( attr rmsd < 2.945 and attr rmsd > 2.845) 6 6 0 peak 23635 ppm1 0.661 ppm2 2.895 volume 0.1780 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 61.521 and attr rmsd > 60.521)) ( attr rmsd < 2.794 and attr rmsd > 2.694) 6 6 0 peak 13636 ppm1 0.661 ppm2 2.744 volume 0.2953 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 14.001 and attr rmsd > 13.001)) ( attr rmsd < 2.794 and attr rmsd > 2.694) 6 6 0 peak 23636 ppm1 0.661 ppm2 2.744 volume 0.2953 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 61.492 and attr rmsd > 60.492)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 13637 ppm1 0.661 ppm2 1.716 volume 1.1003 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 13.972 and attr rmsd > 12.972)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 23637 ppm1 0.661 ppm2 1.716 volume 1.1003 assi ((( attr rmsd < 0.712) and (attr rmsd > 0.612)) and bondedto(attr rmsd < 61.528 and attr rmsd > 60.528)) ( attr rmsd < 1.524 and attr rmsd > 1.424) 6 6 0 peak 13638 ppm1 0.662 ppm2 1.474 volume 1.8226 assi ((( attr rmsd < 0.712) and (attr rmsd > 0.612)) and bondedto(attr rmsd < 14.008 and attr rmsd > 13.008)) ( attr rmsd < 1.524 and attr rmsd > 1.424) 6 6 0 peak 23638 ppm1 0.662 ppm2 1.474 volume 1.8226 assi ((( attr rmsd < 0.715) and (attr rmsd > 0.615)) and bondedto(attr rmsd < 61.469 and attr rmsd > 60.469)) ( attr rmsd < 1.002 and attr rmsd > 0.902) 6 6 0 peak 13639 ppm1 0.665 ppm2 0.952 volume 1.5065 assi ((( attr rmsd < 0.715) and (attr rmsd > 0.615)) and bondedto(attr rmsd < 13.949 and attr rmsd > 12.949)) ( attr rmsd < 1.002 and attr rmsd > 0.902) 6 6 0 peak 23639 ppm1 0.665 ppm2 0.952 volume 1.5065 assi ((( attr rmsd < 4.200) and (attr rmsd > 4.100)) and bondedto(attr rmsd < 37.668 and attr rmsd > 36.668)) ( attr rmsd < 4.098 and attr rmsd > 3.998) 6 6 0 peak 3640 ppm1 4.150 ppm2 4.048 volume 0.9111 assi ((( attr rmsd < 4.193) and (attr rmsd > 4.093)) and bondedto(attr rmsd < 37.728 and attr rmsd > 36.728)) ( attr rmsd < 0.711 and attr rmsd > 0.611) 6 6 0 peak 3641 ppm1 4.143 ppm2 0.661 volume 0.1837 assi ((( attr rmsd < 4.193) and (attr rmsd > 4.093)) and bondedto(attr rmsd < 37.615 and attr rmsd > 36.615)) ( attr rmsd < 0.217 and attr rmsd > 0.117) 6 6 0 peak 3642 ppm1 4.143 ppm2 0.167 volume 0.1819 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 37.625 and attr rmsd > 36.625)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 3643 ppm1 4.142 ppm2 -0.011 volume 0.2716 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 37.683 and attr rmsd > 36.683)) ( attr rmsd < 3.647 and attr rmsd > 3.547) 6 6 0 peak 3644 ppm1 3.677 ppm2 3.597 volume 0.3190 assi ((( attr rmsd < 0.715) and (attr rmsd > 0.615)) and bondedto(attr rmsd < 37.747 and attr rmsd > 36.747)) ( attr rmsd < 0.613 and attr rmsd > 0.513) 6 6 0 peak 3645 ppm1 0.665 ppm2 0.563 volume 1.5395 assi ((( attr rmsd < 4.977) and (attr rmsd > 4.877)) and bondedto(attr rmsd < 61.347 and attr rmsd > 60.347)) ( attr rmsd < 4.201 and attr rmsd > 4.101) 6 6 0 peak 13646 ppm1 4.927 ppm2 4.151 volume 0.3134 assi ((( attr rmsd < 4.977) and (attr rmsd > 4.877)) and bondedto(attr rmsd < 13.827 and attr rmsd > 12.827)) ( attr rmsd < 4.201 and attr rmsd > 4.101) 6 6 0 peak 23646 ppm1 4.927 ppm2 4.151 volume 0.3134 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 61.342 and attr rmsd > 60.342)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 13647 ppm1 4.848 ppm2 4.147 volume 0.7757 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 13.822 and attr rmsd > 12.822)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 23647 ppm1 4.848 ppm2 4.147 volume 0.7757 assi ((( attr rmsd < 4.827) and (attr rmsd > 4.727)) and bondedto(attr rmsd < 61.346 and attr rmsd > 60.346)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 13648 ppm1 4.777 ppm2 4.147 volume 0.4174 assi ((( attr rmsd < 4.827) and (attr rmsd > 4.727)) and bondedto(attr rmsd < 13.826 and attr rmsd > 12.826)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 23648 ppm1 4.777 ppm2 4.147 volume 0.4174 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 61.328 and attr rmsd > 60.328)) ( attr rmsd < 4.200 and attr rmsd > 4.100) 6 6 0 peak 13649 ppm1 4.713 ppm2 4.150 volume 0.5924 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 13.808 and attr rmsd > 12.808)) ( attr rmsd < 4.200 and attr rmsd > 4.100) 6 6 0 peak 23649 ppm1 4.713 ppm2 4.150 volume 0.5924 assi ((( attr rmsd < 4.494) and (attr rmsd > 4.394)) and bondedto(attr rmsd < 61.218 and attr rmsd > 60.218)) ( attr rmsd < 4.982 and attr rmsd > 4.882) 6 6 0 peak 13650 ppm1 4.444 ppm2 4.932 volume 0.1450 assi ((( attr rmsd < 4.494) and (attr rmsd > 4.394)) and bondedto(attr rmsd < 13.698 and attr rmsd > 12.698)) ( attr rmsd < 4.982 and attr rmsd > 4.882) 6 6 0 peak 23650 ppm1 4.444 ppm2 4.932 volume 0.1450 assi ((( attr rmsd < 4.477) and (attr rmsd > 4.377)) and bondedto(attr rmsd < 61.348 and attr rmsd > 60.348)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 13651 ppm1 4.427 ppm2 4.777 volume 0.4058 assi ((( attr rmsd < 4.477) and (attr rmsd > 4.377)) and bondedto(attr rmsd < 13.828 and attr rmsd > 12.828)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 23651 ppm1 4.427 ppm2 4.777 volume 0.4058 assi ((( attr rmsd < 4.477) and (attr rmsd > 4.377)) and bondedto(attr rmsd < 61.293 and attr rmsd > 60.293)) ( attr rmsd < 4.628 and attr rmsd > 4.528) 6 6 0 peak 13652 ppm1 4.427 ppm2 4.578 volume 0.8792 assi ((( attr rmsd < 4.477) and (attr rmsd > 4.377)) and bondedto(attr rmsd < 13.773 and attr rmsd > 12.773)) ( attr rmsd < 4.628 and attr rmsd > 4.528) 6 6 0 peak 23652 ppm1 4.427 ppm2 4.578 volume 0.8792 assi ((( attr rmsd < 4.476) and (attr rmsd > 4.376)) and bondedto(attr rmsd < 61.259 and attr rmsd > 60.259)) ( attr rmsd < 4.479 and attr rmsd > 4.379) 6 6 0 peak 13653 ppm1 4.426 ppm2 4.429 volume 6.3501 assi ((( attr rmsd < 4.476) and (attr rmsd > 4.376)) and bondedto(attr rmsd < 13.739 and attr rmsd > 12.739)) ( attr rmsd < 4.479 and attr rmsd > 4.379) 6 6 0 peak 23653 ppm1 4.426 ppm2 4.429 volume 6.3501 assi ((( attr rmsd < 4.480) and (attr rmsd > 4.380)) and bondedto(attr rmsd < 61.281 and attr rmsd > 60.281)) ( attr rmsd < 1.237 and attr rmsd > 1.137) 6 6 0 peak 13654 ppm1 4.430 ppm2 1.187 volume 0.7891 assi ((( attr rmsd < 4.480) and (attr rmsd > 4.380)) and bondedto(attr rmsd < 13.761 and attr rmsd > 12.761)) ( attr rmsd < 1.237 and attr rmsd > 1.137) 6 6 0 peak 23654 ppm1 4.430 ppm2 1.187 volume 0.7891 assi ((( attr rmsd < 3.362) and (attr rmsd > 3.262)) and bondedto(attr rmsd < 61.301 and attr rmsd > 60.301)) ( attr rmsd < 3.366 and attr rmsd > 3.266) 6 6 0 peak 13655 ppm1 3.312 ppm2 3.316 volume 0.1467 assi ((( attr rmsd < 3.362) and (attr rmsd > 3.262)) and bondedto(attr rmsd < 13.781 and attr rmsd > 12.781)) ( attr rmsd < 3.366 and attr rmsd > 3.266) 6 6 0 peak 23655 ppm1 3.312 ppm2 3.316 volume 0.1467 assi ((( attr rmsd < 3.070) and (attr rmsd > 2.970)) and bondedto(attr rmsd < 61.242 and attr rmsd > 60.242)) ( attr rmsd < 3.070 and attr rmsd > 2.970) 6 6 0 peak 13656 ppm1 3.020 ppm2 3.020 volume 0.5820 assi ((( attr rmsd < 3.070) and (attr rmsd > 2.970)) and bondedto(attr rmsd < 13.722 and attr rmsd > 12.722)) ( attr rmsd < 3.070 and attr rmsd > 2.970) 6 6 0 peak 23656 ppm1 3.020 ppm2 3.020 volume 0.5820 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 37.421 and attr rmsd > 36.421)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 3657 ppm1 4.850 ppm2 4.934 volume 0.4376 assi ((( attr rmsd < 4.622) and (attr rmsd > 4.522)) and bondedto(attr rmsd < 37.471 and attr rmsd > 36.471)) ( attr rmsd < 4.480 and attr rmsd > 4.380) 6 6 0 peak 3658 ppm1 4.572 ppm2 4.430 volume 0.2075 assi ((( attr rmsd < 4.480) and (attr rmsd > 4.380)) and bondedto(attr rmsd < 37.475 and attr rmsd > 36.475)) ( attr rmsd < 4.375 and attr rmsd > 4.275) 6 6 0 peak 3659 ppm1 4.430 ppm2 4.325 volume 0.5358 assi ((( attr rmsd < 4.337) and (attr rmsd > 4.237)) and bondedto(attr rmsd < 37.455 and attr rmsd > 36.455)) ( attr rmsd < 4.484 and attr rmsd > 4.384) 6 6 0 peak 3660 ppm1 4.287 ppm2 4.434 volume 0.1712 assi ((( attr rmsd < 4.305) and (attr rmsd > 4.205)) and bondedto(attr rmsd < 37.501 and attr rmsd > 36.501)) ( attr rmsd < 4.488 and attr rmsd > 4.388) 6 6 0 peak 3661 ppm1 4.255 ppm2 4.438 volume 0.1717 assi ((( attr rmsd < 4.196) and (attr rmsd > 4.096)) and bondedto(attr rmsd < 37.460 and attr rmsd > 36.460)) ( attr rmsd < 0.849 and attr rmsd > 0.749) 6 6 0 peak 3662 ppm1 4.146 ppm2 0.799 volume 0.1874 assi ((( attr rmsd < 4.173) and (attr rmsd > 4.073)) and bondedto(attr rmsd < 37.580 and attr rmsd > 36.580)) ( attr rmsd < 4.291 and attr rmsd > 4.191) 6 6 0 peak 3663 ppm1 4.123 ppm2 4.241 volume 0.2009 assi ((( attr rmsd < 0.593) and (attr rmsd > 0.493)) and bondedto(attr rmsd < 37.519 and attr rmsd > 36.519)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 3664 ppm1 0.543 ppm2 0.545 volume 0.1732 assi ((( attr rmsd < 5.177) and (attr rmsd > 5.077)) and bondedto(attr rmsd < 61.097 and attr rmsd > 60.097)) ( attr rmsd < 4.518 and attr rmsd > 4.418) 6 6 0 peak 13665 ppm1 5.127 ppm2 4.468 volume 0.1959 assi ((( attr rmsd < 5.177) and (attr rmsd > 5.077)) and bondedto(attr rmsd < 13.577 and attr rmsd > 12.577)) ( attr rmsd < 4.518 and attr rmsd > 4.418) 6 6 0 peak 23665 ppm1 5.127 ppm2 4.468 volume 0.1959 assi ((( attr rmsd < 4.987) and (attr rmsd > 4.887)) and bondedto(attr rmsd < 61.149 and attr rmsd > 60.149)) ( attr rmsd < 1.835 and attr rmsd > 1.735) 6 6 0 peak 13666 ppm1 4.937 ppm2 1.785 volume 0.1621 assi ((( attr rmsd < 4.987) and (attr rmsd > 4.887)) and bondedto(attr rmsd < 13.629 and attr rmsd > 12.629)) ( attr rmsd < 1.835 and attr rmsd > 1.735) 6 6 0 peak 23666 ppm1 4.937 ppm2 1.785 volume 0.1621 assi ((( attr rmsd < 4.981) and (attr rmsd > 4.881)) and bondedto(attr rmsd < 61.153 and attr rmsd > 60.153)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 13667 ppm1 4.931 ppm2 4.934 volume 1.2013 assi ((( attr rmsd < 4.981) and (attr rmsd > 4.881)) and bondedto(attr rmsd < 13.633 and attr rmsd > 12.633)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 23667 ppm1 4.931 ppm2 4.934 volume 1.2013 assi ((( attr rmsd < 4.984) and (attr rmsd > 4.884)) and bondedto(attr rmsd < 60.997 and attr rmsd > 59.997)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13668 ppm1 4.934 ppm2 4.774 volume 0.2110 assi ((( attr rmsd < 4.984) and (attr rmsd > 4.884)) and bondedto(attr rmsd < 13.477 and attr rmsd > 12.477)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23668 ppm1 4.934 ppm2 4.774 volume 0.2110 assi ((( attr rmsd < 4.979) and (attr rmsd > 4.879)) and bondedto(attr rmsd < 61.014 and attr rmsd > 60.014)) ( attr rmsd < 0.900 and attr rmsd > 0.800) 6 6 0 peak 13669 ppm1 4.929 ppm2 0.850 volume 0.6267 assi ((( attr rmsd < 4.979) and (attr rmsd > 4.879)) and bondedto(attr rmsd < 13.494 and attr rmsd > 12.494)) ( attr rmsd < 0.900 and attr rmsd > 0.800) 6 6 0 peak 23669 ppm1 4.929 ppm2 0.850 volume 0.6267 assi ((( attr rmsd < 4.983) and (attr rmsd > 4.883)) and bondedto(attr rmsd < 61.131 and attr rmsd > 60.131)) ( attr rmsd < 0.632 and attr rmsd > 0.532) 6 6 0 peak 13670 ppm1 4.933 ppm2 0.582 volume 0.2629 assi ((( attr rmsd < 4.983) and (attr rmsd > 4.883)) and bondedto(attr rmsd < 13.611 and attr rmsd > 12.611)) ( attr rmsd < 0.632 and attr rmsd > 0.532) 6 6 0 peak 23670 ppm1 4.933 ppm2 0.582 volume 0.2629 assi ((( attr rmsd < 4.945) and (attr rmsd > 4.845)) and bondedto(attr rmsd < 61.065 and attr rmsd > 60.065)) ( attr rmsd < 4.505 and attr rmsd > 4.405) 6 6 0 peak 13671 ppm1 4.895 ppm2 4.455 volume 0.5632 assi ((( attr rmsd < 4.945) and (attr rmsd > 4.845)) and bondedto(attr rmsd < 13.545 and attr rmsd > 12.545)) ( attr rmsd < 4.505 and attr rmsd > 4.405) 6 6 0 peak 23671 ppm1 4.895 ppm2 4.455 volume 0.5632 assi ((( attr rmsd < 4.912) and (attr rmsd > 4.812)) and bondedto(attr rmsd < 61.093 and attr rmsd > 60.093)) ( attr rmsd < 4.505 and attr rmsd > 4.405) 6 6 0 peak 13672 ppm1 4.862 ppm2 4.455 volume 0.6757 assi ((( attr rmsd < 4.912) and (attr rmsd > 4.812)) and bondedto(attr rmsd < 13.573 and attr rmsd > 12.573)) ( attr rmsd < 4.505 and attr rmsd > 4.405) 6 6 0 peak 23672 ppm1 4.862 ppm2 4.455 volume 0.6757 assi ((( attr rmsd < 4.779) and (attr rmsd > 4.679)) and bondedto(attr rmsd < 61.118 and attr rmsd > 60.118)) ( attr rmsd < 4.498 and attr rmsd > 4.398) 6 6 0 peak 13673 ppm1 4.729 ppm2 4.448 volume 0.4264 assi ((( attr rmsd < 4.779) and (attr rmsd > 4.679)) and bondedto(attr rmsd < 13.598 and attr rmsd > 12.598)) ( attr rmsd < 4.498 and attr rmsd > 4.398) 6 6 0 peak 23673 ppm1 4.729 ppm2 4.448 volume 0.4264 assi ((( attr rmsd < 4.723) and (attr rmsd > 4.623)) and bondedto(attr rmsd < 61.146 and attr rmsd > 60.146)) ( attr rmsd < 4.988 and attr rmsd > 4.888) 6 6 0 peak 13674 ppm1 4.673 ppm2 4.938 volume 0.1996 assi ((( attr rmsd < 4.723) and (attr rmsd > 4.623)) and bondedto(attr rmsd < 13.626 and attr rmsd > 12.626)) ( attr rmsd < 4.988 and attr rmsd > 4.888) 6 6 0 peak 23674 ppm1 4.673 ppm2 4.938 volume 0.1996 assi ((( attr rmsd < 4.677) and (attr rmsd > 4.577)) and bondedto(attr rmsd < 61.053 and attr rmsd > 60.053)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 13675 ppm1 4.627 ppm2 4.934 volume 0.2056 assi ((( attr rmsd < 4.677) and (attr rmsd > 4.577)) and bondedto(attr rmsd < 13.533 and attr rmsd > 12.533)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 23675 ppm1 4.627 ppm2 4.934 volume 0.2056 assi ((( attr rmsd < 3.174) and (attr rmsd > 3.074)) and bondedto(attr rmsd < 61.082 and attr rmsd > 60.082)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 13676 ppm1 3.124 ppm2 3.128 volume 3.9494 assi ((( attr rmsd < 3.174) and (attr rmsd > 3.074)) and bondedto(attr rmsd < 13.562 and attr rmsd > 12.562)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 23676 ppm1 3.124 ppm2 3.128 volume 3.9494 assi ((( attr rmsd < 1.713) and (attr rmsd > 1.613)) and bondedto(attr rmsd < 61.008 and attr rmsd > 60.008)) ( attr rmsd < 0.864 and attr rmsd > 0.764) 6 6 0 peak 13677 ppm1 1.663 ppm2 0.814 volume 0.2067 assi ((( attr rmsd < 1.713) and (attr rmsd > 1.613)) and bondedto(attr rmsd < 13.488 and attr rmsd > 12.488)) ( attr rmsd < 0.864 and attr rmsd > 0.764) 6 6 0 peak 23677 ppm1 1.663 ppm2 0.814 volume 0.2067 assi ((( attr rmsd < 0.870) and (attr rmsd > 0.770)) and bondedto(attr rmsd < 60.996 and attr rmsd > 59.996)) ( attr rmsd < 5.025 and attr rmsd > 4.925) 6 6 0 peak 13678 ppm1 0.820 ppm2 4.975 volume 0.5795 assi ((( attr rmsd < 0.870) and (attr rmsd > 0.770)) and bondedto(attr rmsd < 13.476 and attr rmsd > 12.476)) ( attr rmsd < 5.025 and attr rmsd > 4.925) 6 6 0 peak 23678 ppm1 0.820 ppm2 4.975 volume 0.5795 assi ((( attr rmsd < 0.871) and (attr rmsd > 0.771)) and bondedto(attr rmsd < 60.997 and attr rmsd > 59.997)) ( attr rmsd < 3.887 and attr rmsd > 3.787) 6 6 0 peak 13679 ppm1 0.821 ppm2 3.837 volume 0.3438 assi ((( attr rmsd < 0.871) and (attr rmsd > 0.771)) and bondedto(attr rmsd < 13.477 and attr rmsd > 12.477)) ( attr rmsd < 3.887 and attr rmsd > 3.787) 6 6 0 peak 23679 ppm1 0.821 ppm2 3.837 volume 0.3438 assi ((( attr rmsd < 0.872) and (attr rmsd > 0.772)) and bondedto(attr rmsd < 61.018 and attr rmsd > 60.018)) ( attr rmsd < 1.757 and attr rmsd > 1.657) 6 6 0 peak 13680 ppm1 0.822 ppm2 1.707 volume 1.8019 assi ((( attr rmsd < 0.872) and (attr rmsd > 0.772)) and bondedto(attr rmsd < 13.498 and attr rmsd > 12.498)) ( attr rmsd < 1.757 and attr rmsd > 1.657) 6 6 0 peak 23680 ppm1 0.822 ppm2 1.707 volume 1.8019 assi ((( attr rmsd < 0.877) and (attr rmsd > 0.777)) and bondedto(attr rmsd < 61.034 and attr rmsd > 60.034)) ( attr rmsd < 1.380 and attr rmsd > 1.280) 6 6 0 peak 13681 ppm1 0.827 ppm2 1.330 volume 0.2219 assi ((( attr rmsd < 0.877) and (attr rmsd > 0.777)) and bondedto(attr rmsd < 13.514 and attr rmsd > 12.514)) ( attr rmsd < 1.380 and attr rmsd > 1.280) 6 6 0 peak 23681 ppm1 0.827 ppm2 1.330 volume 0.2219 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 37.283 and attr rmsd > 36.283)) ( attr rmsd < 0.627 and attr rmsd > 0.527) 6 6 0 peak 3682 ppm1 4.848 ppm2 0.577 volume 0.1834 assi ((( attr rmsd < 4.695) and (attr rmsd > 4.595)) and bondedto(attr rmsd < 37.336 and attr rmsd > 36.336)) ( attr rmsd < 4.505 and attr rmsd > 4.405) 6 6 0 peak 3683 ppm1 4.645 ppm2 4.455 volume 0.3577 assi ((( attr rmsd < 4.384) and (attr rmsd > 4.284)) and bondedto(attr rmsd < 37.327 and attr rmsd > 36.327)) ( attr rmsd < 4.506 and attr rmsd > 4.406) 6 6 0 peak 3684 ppm1 4.334 ppm2 4.456 volume 0.1679 assi ((( attr rmsd < 4.121) and (attr rmsd > 4.021)) and bondedto(attr rmsd < 37.385 and attr rmsd > 36.385)) ( attr rmsd < 4.495 and attr rmsd > 4.395) 6 6 0 peak 3685 ppm1 4.071 ppm2 4.445 volume 0.1456 assi ((( attr rmsd < 3.170) and (attr rmsd > 3.070)) and bondedto(attr rmsd < 37.312 and attr rmsd > 36.312)) ( attr rmsd < 3.270 and attr rmsd > 3.170) 6 6 0 peak 3686 ppm1 3.120 ppm2 3.220 volume 0.2253 assi ((( attr rmsd < 3.175) and (attr rmsd > 3.075)) and bondedto(attr rmsd < 37.332 and attr rmsd > 36.332)) ( attr rmsd < 3.084 and attr rmsd > 2.984) 6 6 0 peak 3687 ppm1 3.125 ppm2 3.034 volume 0.5803 assi ((( attr rmsd < 2.330) and (attr rmsd > 2.230)) and bondedto(attr rmsd < 37.304 and attr rmsd > 36.304)) ( attr rmsd < 0.913 and attr rmsd > 0.813) 6 6 0 peak 3688 ppm1 2.280 ppm2 0.863 volume 0.1840 assi ((( attr rmsd < 2.206) and (attr rmsd > 2.106)) and bondedto(attr rmsd < 37.248 and attr rmsd > 36.248)) ( attr rmsd < 2.016 and attr rmsd > 1.916) 6 6 0 peak 3689 ppm1 2.156 ppm2 1.966 volume 1.4659 assi ((( attr rmsd < 2.013) and (attr rmsd > 1.913)) and bondedto(attr rmsd < 37.274 and attr rmsd > 36.274)) ( attr rmsd < 2.214 and attr rmsd > 2.114) 6 6 0 peak 3690 ppm1 1.963 ppm2 2.164 volume 1.5894 assi ((( attr rmsd < 2.019) and (attr rmsd > 1.919)) and bondedto(attr rmsd < 37.295 and attr rmsd > 36.295)) ( attr rmsd < 1.867 and attr rmsd > 1.767) 6 6 0 peak 3691 ppm1 1.969 ppm2 1.817 volume 0.8109 assi ((( attr rmsd < 1.873) and (attr rmsd > 1.773)) and bondedto(attr rmsd < 37.245 and attr rmsd > 36.245)) ( attr rmsd < 2.226 and attr rmsd > 2.126) 6 6 0 peak 3692 ppm1 1.823 ppm2 2.176 volume 0.1807 assi ((( attr rmsd < 1.875) and (attr rmsd > 1.775)) and bondedto(attr rmsd < 37.268 and attr rmsd > 36.268)) ( attr rmsd < 2.020 and attr rmsd > 1.920) 6 6 0 peak 3693 ppm1 1.825 ppm2 1.970 volume 0.2379 assi ((( attr rmsd < 6.084) and (attr rmsd > 5.984)) and bondedto(attr rmsd < 60.876 and attr rmsd > 59.876)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 13694 ppm1 6.034 ppm2 4.773 volume 0.1760 assi ((( attr rmsd < 6.084) and (attr rmsd > 5.984)) and bondedto(attr rmsd < 13.356 and attr rmsd > 12.356)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 23694 ppm1 6.034 ppm2 4.773 volume 0.1760 assi ((( attr rmsd < 5.873) and (attr rmsd > 5.773)) and bondedto(attr rmsd < 60.847 and attr rmsd > 59.847)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13695 ppm1 5.823 ppm2 4.776 volume 0.1556 assi ((( attr rmsd < 5.873) and (attr rmsd > 5.773)) and bondedto(attr rmsd < 13.327 and attr rmsd > 12.327)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23695 ppm1 5.823 ppm2 4.776 volume 0.1556 assi ((( attr rmsd < 5.756) and (attr rmsd > 5.656)) and bondedto(attr rmsd < 60.873 and attr rmsd > 59.873)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 13696 ppm1 5.706 ppm2 4.779 volume 0.1704 assi ((( attr rmsd < 5.756) and (attr rmsd > 5.656)) and bondedto(attr rmsd < 13.353 and attr rmsd > 12.353)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 23696 ppm1 5.706 ppm2 4.779 volume 0.1704 assi ((( attr rmsd < 5.604) and (attr rmsd > 5.504)) and bondedto(attr rmsd < 60.856 and attr rmsd > 59.856)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 13697 ppm1 5.554 ppm2 4.778 volume 0.1980 assi ((( attr rmsd < 5.604) and (attr rmsd > 5.504)) and bondedto(attr rmsd < 13.336 and attr rmsd > 12.336)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 23697 ppm1 5.554 ppm2 4.778 volume 0.1980 assi ((( attr rmsd < 5.565) and (attr rmsd > 5.465)) and bondedto(attr rmsd < 60.870 and attr rmsd > 59.870)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 13698 ppm1 5.515 ppm2 4.773 volume 0.1831 assi ((( attr rmsd < 5.565) and (attr rmsd > 5.465)) and bondedto(attr rmsd < 13.350 and attr rmsd > 12.350)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 23698 ppm1 5.515 ppm2 4.773 volume 0.1831 assi ((( attr rmsd < 5.386) and (attr rmsd > 5.286)) and bondedto(attr rmsd < 60.821 and attr rmsd > 59.821)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13699 ppm1 5.336 ppm2 4.776 volume 0.1658 assi ((( attr rmsd < 5.386) and (attr rmsd > 5.286)) and bondedto(attr rmsd < 13.301 and attr rmsd > 12.301)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23699 ppm1 5.336 ppm2 4.776 volume 0.1658 assi ((( attr rmsd < 5.301) and (attr rmsd > 5.201)) and bondedto(attr rmsd < 60.868 and attr rmsd > 59.868)) ( attr rmsd < 4.538 and attr rmsd > 4.438) 6 6 0 peak 13700 ppm1 5.251 ppm2 4.488 volume 0.1536 assi ((( attr rmsd < 5.301) and (attr rmsd > 5.201)) and bondedto(attr rmsd < 13.348 and attr rmsd > 12.348)) ( attr rmsd < 4.538 and attr rmsd > 4.438) 6 6 0 peak 23700 ppm1 5.251 ppm2 4.488 volume 0.1536 assi ((( attr rmsd < 5.096) and (attr rmsd > 4.996)) and bondedto(attr rmsd < 60.882 and attr rmsd > 59.882)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 13701 ppm1 5.046 ppm2 4.772 volume 0.1929 assi ((( attr rmsd < 5.096) and (attr rmsd > 4.996)) and bondedto(attr rmsd < 13.362 and attr rmsd > 12.362)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 23701 ppm1 5.046 ppm2 4.772 volume 0.1929 assi ((( attr rmsd < 4.952) and (attr rmsd > 4.852)) and bondedto(attr rmsd < 60.947 and attr rmsd > 59.947)) ( attr rmsd < 0.909 and attr rmsd > 0.809) 6 6 0 peak 13702 ppm1 4.902 ppm2 0.859 volume 0.6146 assi ((( attr rmsd < 4.952) and (attr rmsd > 4.852)) and bondedto(attr rmsd < 13.427 and attr rmsd > 12.427)) ( attr rmsd < 0.909 and attr rmsd > 0.809) 6 6 0 peak 23702 ppm1 4.902 ppm2 0.859 volume 0.6146 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 60.932 and attr rmsd > 59.932)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 13703 ppm1 4.856 ppm2 0.858 volume 0.7586 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 13.412 and attr rmsd > 12.412)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 23703 ppm1 4.856 ppm2 0.858 volume 0.7586 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 60.837 and attr rmsd > 59.837)) ( attr rmsd < 4.831 and attr rmsd > 4.731) 6 6 0 peak 13704 ppm1 4.835 ppm2 4.781 volume 0.2574 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 13.317 and attr rmsd > 12.317)) ( attr rmsd < 4.831 and attr rmsd > 4.731) 6 6 0 peak 23704 ppm1 4.835 ppm2 4.781 volume 0.2574 assi ((( attr rmsd < 4.776) and (attr rmsd > 4.676)) and bondedto(attr rmsd < 60.913 and attr rmsd > 59.913)) ( attr rmsd < 0.910 and attr rmsd > 0.810) 6 6 0 peak 13705 ppm1 4.726 ppm2 0.860 volume 0.9646 assi ((( attr rmsd < 4.776) and (attr rmsd > 4.676)) and bondedto(attr rmsd < 13.393 and attr rmsd > 12.393)) ( attr rmsd < 0.910 and attr rmsd > 0.810) 6 6 0 peak 23705 ppm1 4.726 ppm2 0.860 volume 0.9646 assi ((( attr rmsd < 4.764) and (attr rmsd > 4.664)) and bondedto(attr rmsd < 60.876 and attr rmsd > 59.876)) ( attr rmsd < 4.807 and attr rmsd > 4.707) 6 6 0 peak 13706 ppm1 4.714 ppm2 4.757 volume 0.2777 assi ((( attr rmsd < 4.764) and (attr rmsd > 4.664)) and bondedto(attr rmsd < 13.356 and attr rmsd > 12.356)) ( attr rmsd < 4.807 and attr rmsd > 4.707) 6 6 0 peak 23706 ppm1 4.714 ppm2 4.757 volume 0.2777 assi ((( attr rmsd < 4.603) and (attr rmsd > 4.503)) and bondedto(attr rmsd < 60.940 and attr rmsd > 59.940)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 13707 ppm1 4.553 ppm2 4.934 volume 0.3488 assi ((( attr rmsd < 4.603) and (attr rmsd > 4.503)) and bondedto(attr rmsd < 13.420 and attr rmsd > 12.420)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 23707 ppm1 4.553 ppm2 4.934 volume 0.3488 assi ((( attr rmsd < 4.599) and (attr rmsd > 4.499)) and bondedto(attr rmsd < 60.935 and attr rmsd > 59.935)) ( attr rmsd < 1.422 and attr rmsd > 1.322) 6 6 0 peak 13708 ppm1 4.549 ppm2 1.372 volume 0.1491 assi ((( attr rmsd < 4.599) and (attr rmsd > 4.499)) and bondedto(attr rmsd < 13.415 and attr rmsd > 12.415)) ( attr rmsd < 1.422 and attr rmsd > 1.322) 6 6 0 peak 23708 ppm1 4.549 ppm2 1.372 volume 0.1491 assi ((( attr rmsd < 4.599) and (attr rmsd > 4.499)) and bondedto(attr rmsd < 60.887 and attr rmsd > 59.887)) ( attr rmsd < 0.814 and attr rmsd > 0.714) 6 6 0 peak 13709 ppm1 4.549 ppm2 0.764 volume 0.4903 assi ((( attr rmsd < 4.599) and (attr rmsd > 4.499)) and bondedto(attr rmsd < 13.367 and attr rmsd > 12.367)) ( attr rmsd < 0.814 and attr rmsd > 0.714) 6 6 0 peak 23709 ppm1 4.549 ppm2 0.764 volume 0.4903 assi ((( attr rmsd < 4.536) and (attr rmsd > 4.436)) and bondedto(attr rmsd < 60.898 and attr rmsd > 59.898)) ( attr rmsd < 2.073 and attr rmsd > 1.973) 6 6 0 peak 13710 ppm1 4.486 ppm2 2.023 volume 0.2293 assi ((( attr rmsd < 4.536) and (attr rmsd > 4.436)) and bondedto(attr rmsd < 13.378 and attr rmsd > 12.378)) ( attr rmsd < 2.073 and attr rmsd > 1.973) 6 6 0 peak 23710 ppm1 4.486 ppm2 2.023 volume 0.2293 assi ((( attr rmsd < 4.542) and (attr rmsd > 4.442)) and bondedto(attr rmsd < 60.880 and attr rmsd > 59.880)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 13711 ppm1 4.492 ppm2 1.750 volume 0.2595 assi ((( attr rmsd < 4.542) and (attr rmsd > 4.442)) and bondedto(attr rmsd < 13.360 and attr rmsd > 12.360)) ( attr rmsd < 1.800 and attr rmsd > 1.700) 6 6 0 peak 23711 ppm1 4.492 ppm2 1.750 volume 0.2595 assi ((( attr rmsd < 4.537) and (attr rmsd > 4.437)) and bondedto(attr rmsd < 60.861 and attr rmsd > 59.861)) ( attr rmsd < 0.992 and attr rmsd > 0.892) 6 6 0 peak 13712 ppm1 4.487 ppm2 0.942 volume 0.6778 assi ((( attr rmsd < 4.537) and (attr rmsd > 4.437)) and bondedto(attr rmsd < 13.341 and attr rmsd > 12.341)) ( attr rmsd < 0.992 and attr rmsd > 0.892) 6 6 0 peak 23712 ppm1 4.487 ppm2 0.942 volume 0.6778 assi ((( attr rmsd < 4.110) and (attr rmsd > 4.010)) and bondedto(attr rmsd < 60.809 and attr rmsd > 59.809)) ( attr rmsd < 4.598 and attr rmsd > 4.498) 6 6 0 peak 13713 ppm1 4.060 ppm2 4.548 volume 0.7022 assi ((( attr rmsd < 4.110) and (attr rmsd > 4.010)) and bondedto(attr rmsd < 13.289 and attr rmsd > 12.289)) ( attr rmsd < 4.598 and attr rmsd > 4.498) 6 6 0 peak 23713 ppm1 4.060 ppm2 4.548 volume 0.7022 assi ((( attr rmsd < 4.113) and (attr rmsd > 4.013)) and bondedto(attr rmsd < 60.831 and attr rmsd > 59.831)) ( attr rmsd < 1.728 and attr rmsd > 1.628) 6 6 0 peak 13714 ppm1 4.063 ppm2 1.678 volume 0.2204 assi ((( attr rmsd < 4.113) and (attr rmsd > 4.013)) and bondedto(attr rmsd < 13.311 and attr rmsd > 12.311)) ( attr rmsd < 1.728 and attr rmsd > 1.628) 6 6 0 peak 23714 ppm1 4.063 ppm2 1.678 volume 0.2204 assi ((( attr rmsd < 4.115) and (attr rmsd > 4.015)) and bondedto(attr rmsd < 60.808 and attr rmsd > 59.808)) ( attr rmsd < 1.285 and attr rmsd > 1.185) 6 6 0 peak 13715 ppm1 4.065 ppm2 1.235 volume 1.2406 assi ((( attr rmsd < 4.115) and (attr rmsd > 4.015)) and bondedto(attr rmsd < 13.288 and attr rmsd > 12.288)) ( attr rmsd < 1.285 and attr rmsd > 1.185) 6 6 0 peak 23715 ppm1 4.065 ppm2 1.235 volume 1.2406 assi ((( attr rmsd < 2.152) and (attr rmsd > 2.052)) and bondedto(attr rmsd < 60.875 and attr rmsd > 59.875)) ( attr rmsd < 2.064 and attr rmsd > 1.964) 6 6 0 peak 13716 ppm1 2.102 ppm2 2.014 volume 0.1760 assi ((( attr rmsd < 2.152) and (attr rmsd > 2.052)) and bondedto(attr rmsd < 13.355 and attr rmsd > 12.355)) ( attr rmsd < 2.064 and attr rmsd > 1.964) 6 6 0 peak 23716 ppm1 2.102 ppm2 2.014 volume 0.1760 assi ((( attr rmsd < 1.920) and (attr rmsd > 1.820)) and bondedto(attr rmsd < 60.961 and attr rmsd > 59.961)) ( attr rmsd < 1.921 and attr rmsd > 1.821) 6 6 0 peak 13717 ppm1 1.870 ppm2 1.871 volume 0.3171 assi ((( attr rmsd < 1.920) and (attr rmsd > 1.820)) and bondedto(attr rmsd < 13.441 and attr rmsd > 12.441)) ( attr rmsd < 1.921 and attr rmsd > 1.821) 6 6 0 peak 23717 ppm1 1.870 ppm2 1.871 volume 0.3171 assi ((( attr rmsd < 1.826) and (attr rmsd > 1.726)) and bondedto(attr rmsd < 60.896 and attr rmsd > 59.896)) ( attr rmsd < 1.847 and attr rmsd > 1.747) 6 6 0 peak 13718 ppm1 1.776 ppm2 1.797 volume 0.3239 assi ((( attr rmsd < 1.826) and (attr rmsd > 1.726)) and bondedto(attr rmsd < 13.376 and attr rmsd > 12.376)) ( attr rmsd < 1.847 and attr rmsd > 1.747) 6 6 0 peak 23718 ppm1 1.776 ppm2 1.797 volume 0.3239 assi ((( attr rmsd < 1.543) and (attr rmsd > 1.443)) and bondedto(attr rmsd < 60.893 and attr rmsd > 59.893)) ( attr rmsd < 0.930 and attr rmsd > 0.830) 6 6 0 peak 13719 ppm1 1.493 ppm2 0.880 volume 0.7062 assi ((( attr rmsd < 1.543) and (attr rmsd > 1.443)) and bondedto(attr rmsd < 13.373 and attr rmsd > 12.373)) ( attr rmsd < 0.930 and attr rmsd > 0.830) 6 6 0 peak 23719 ppm1 1.493 ppm2 0.880 volume 0.7062 assi ((( attr rmsd < 1.253) and (attr rmsd > 1.153)) and bondedto(attr rmsd < 60.903 and attr rmsd > 59.903)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 13720 ppm1 1.203 ppm2 0.890 volume 0.2104 assi ((( attr rmsd < 1.253) and (attr rmsd > 1.153)) and bondedto(attr rmsd < 13.383 and attr rmsd > 12.383)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 23720 ppm1 1.203 ppm2 0.890 volume 0.2104 assi ((( attr rmsd < 1.052) and (attr rmsd > 0.952)) and bondedto(attr rmsd < 60.869 and attr rmsd > 59.869)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 13721 ppm1 1.002 ppm2 4.778 volume 0.1469 assi ((( attr rmsd < 1.052) and (attr rmsd > 0.952)) and bondedto(attr rmsd < 13.349 and attr rmsd > 12.349)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 23721 ppm1 1.002 ppm2 4.778 volume 0.1469 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 60.834 and attr rmsd > 59.834)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 13722 ppm1 0.929 ppm2 0.763 volume 0.2084 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 13.314 and attr rmsd > 12.314)) ( attr rmsd < 0.813 and attr rmsd > 0.713) 6 6 0 peak 23722 ppm1 0.929 ppm2 0.763 volume 0.2084 assi ((( attr rmsd < 0.911) and (attr rmsd > 0.811)) and bondedto(attr rmsd < 60.916 and attr rmsd > 59.916)) ( attr rmsd < 1.920 and attr rmsd > 1.820) 6 6 0 peak 13723 ppm1 0.861 ppm2 1.870 volume 0.6358 assi ((( attr rmsd < 0.911) and (attr rmsd > 0.811)) and bondedto(attr rmsd < 13.396 and attr rmsd > 12.396)) ( attr rmsd < 1.920 and attr rmsd > 1.820) 6 6 0 peak 23723 ppm1 0.861 ppm2 1.870 volume 0.6358 assi ((( attr rmsd < 0.916) and (attr rmsd > 0.816)) and bondedto(attr rmsd < 60.910 and attr rmsd > 59.910)) ( attr rmsd < 1.248 and attr rmsd > 1.148) 6 6 0 peak 13724 ppm1 0.866 ppm2 1.198 volume 2.7928 assi ((( attr rmsd < 0.916) and (attr rmsd > 0.816)) and bondedto(attr rmsd < 13.390 and attr rmsd > 12.390)) ( attr rmsd < 1.248 and attr rmsd > 1.148) 6 6 0 peak 23724 ppm1 0.866 ppm2 1.198 volume 2.7928 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 60.909 and attr rmsd > 59.909)) ( attr rmsd < 1.070 and attr rmsd > 0.970) 6 6 0 peak 13725 ppm1 0.867 ppm2 1.020 volume 1.1121 assi ((( attr rmsd < 0.917) and (attr rmsd > 0.817)) and bondedto(attr rmsd < 13.389 and attr rmsd > 12.389)) ( attr rmsd < 1.070 and attr rmsd > 0.970) 6 6 0 peak 23725 ppm1 0.867 ppm2 1.020 volume 1.1121 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 60.901 and attr rmsd > 59.901)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 13726 ppm1 0.857 ppm2 4.142 volume 0.2961 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 13.381 and attr rmsd > 12.381)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 23726 ppm1 0.857 ppm2 4.142 volume 0.2961 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 60.933 and attr rmsd > 59.933)) ( attr rmsd < 1.535 and attr rmsd > 1.435) 6 6 0 peak 13727 ppm1 0.853 ppm2 1.485 volume 1.3886 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 13.413 and attr rmsd > 12.413)) ( attr rmsd < 1.535 and attr rmsd > 1.435) 6 6 0 peak 23727 ppm1 0.853 ppm2 1.485 volume 1.3886 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 60.905 and attr rmsd > 59.905)) ( attr rmsd < 0.909 and attr rmsd > 0.809) 6 6 0 peak 13728 ppm1 0.857 ppm2 0.859 volume 79.5808 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 13.385 and attr rmsd > 12.385)) ( attr rmsd < 0.909 and attr rmsd > 0.809) 6 6 0 peak 23728 ppm1 0.857 ppm2 0.859 volume 79.5808 assi ((( attr rmsd < 0.885) and (attr rmsd > 0.785)) and bondedto(attr rmsd < 60.939 and attr rmsd > 59.939)) ( attr rmsd < 2.234 and attr rmsd > 2.134) 6 6 0 peak 13729 ppm1 0.835 ppm2 2.184 volume 0.2150 assi ((( attr rmsd < 0.885) and (attr rmsd > 0.785)) and bondedto(attr rmsd < 13.419 and attr rmsd > 12.419)) ( attr rmsd < 2.234 and attr rmsd > 2.134) 6 6 0 peak 23729 ppm1 0.835 ppm2 2.184 volume 0.2150 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 60.960 and attr rmsd > 59.960)) ( attr rmsd < 2.375 and attr rmsd > 2.275) 6 6 0 peak 13730 ppm1 0.825 ppm2 2.325 volume 0.3322 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 13.440 and attr rmsd > 12.440)) ( attr rmsd < 2.375 and attr rmsd > 2.275) 6 6 0 peak 23730 ppm1 0.825 ppm2 2.325 volume 0.3322 assi ((( attr rmsd < 0.877) and (attr rmsd > 0.777)) and bondedto(attr rmsd < 60.991 and attr rmsd > 59.991)) ( attr rmsd < 2.078 and attr rmsd > 1.978) 6 6 0 peak 13731 ppm1 0.827 ppm2 2.028 volume 0.4062 assi ((( attr rmsd < 0.877) and (attr rmsd > 0.777)) and bondedto(attr rmsd < 13.471 and attr rmsd > 12.471)) ( attr rmsd < 2.078 and attr rmsd > 1.978) 6 6 0 peak 23731 ppm1 0.827 ppm2 2.028 volume 0.4062 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 60.985 and attr rmsd > 59.985)) ( attr rmsd < 1.023 and attr rmsd > 0.923) 6 6 0 peak 13732 ppm1 0.825 ppm2 0.973 volume 0.6017 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 13.465 and attr rmsd > 12.465)) ( attr rmsd < 1.023 and attr rmsd > 0.923) 6 6 0 peak 23732 ppm1 0.825 ppm2 0.973 volume 0.6017 assi ((( attr rmsd < 4.861) and (attr rmsd > 4.761)) and bondedto(attr rmsd < 37.122 and attr rmsd > 36.122)) ( attr rmsd < 0.917 and attr rmsd > 0.817) 6 6 0 peak 3733 ppm1 4.811 ppm2 0.867 volume 0.1786 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 37.120 and attr rmsd > 36.120)) ( attr rmsd < 0.930 and attr rmsd > 0.830) 6 6 0 peak 3734 ppm1 4.676 ppm2 0.880 volume 0.4683 assi ((( attr rmsd < 4.686) and (attr rmsd > 4.586)) and bondedto(attr rmsd < 37.154 and attr rmsd > 36.154)) ( attr rmsd < 0.916 and attr rmsd > 0.816) 6 6 0 peak 3735 ppm1 4.636 ppm2 0.866 volume 0.4109 assi ((( attr rmsd < 4.657) and (attr rmsd > 4.557)) and bondedto(attr rmsd < 37.161 and attr rmsd > 36.161)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 3736 ppm1 4.607 ppm2 0.858 volume 0.3869 assi ((( attr rmsd < 4.106) and (attr rmsd > 4.006)) and bondedto(attr rmsd < 37.139 and attr rmsd > 36.139)) ( attr rmsd < 0.915 and attr rmsd > 0.815) 6 6 0 peak 3737 ppm1 4.056 ppm2 0.865 volume 0.3309 assi ((( attr rmsd < 2.593) and (attr rmsd > 2.493)) and bondedto(attr rmsd < 37.158 and attr rmsd > 36.158)) ( attr rmsd < 0.912 and attr rmsd > 0.812) 6 6 0 peak 3738 ppm1 2.543 ppm2 0.862 volume 0.3789 assi ((( attr rmsd < 2.508) and (attr rmsd > 2.408)) and bondedto(attr rmsd < 37.160 and attr rmsd > 36.160)) ( attr rmsd < 0.936 and attr rmsd > 0.836) 6 6 0 peak 3739 ppm1 2.458 ppm2 0.886 volume 0.1984 assi ((( attr rmsd < 2.433) and (attr rmsd > 2.333)) and bondedto(attr rmsd < 37.205 and attr rmsd > 36.205)) ( attr rmsd < 0.907 and attr rmsd > 0.807) 6 6 0 peak 3740 ppm1 2.383 ppm2 0.857 volume 0.1999 assi ((( attr rmsd < 2.392) and (attr rmsd > 2.292)) and bondedto(attr rmsd < 37.138 and attr rmsd > 36.138)) ( attr rmsd < 0.929 and attr rmsd > 0.829) 6 6 0 peak 3741 ppm1 2.342 ppm2 0.879 volume 0.2127 assi ((( attr rmsd < 2.219) and (attr rmsd > 2.119)) and bondedto(attr rmsd < 37.219 and attr rmsd > 36.219)) ( attr rmsd < 0.906 and attr rmsd > 0.806) 6 6 0 peak 3742 ppm1 2.169 ppm2 0.856 volume 0.2164 assi ((( attr rmsd < 2.207) and (attr rmsd > 2.107)) and bondedto(attr rmsd < 37.201 and attr rmsd > 36.201)) ( attr rmsd < 4.737 and attr rmsd > 4.637) 6 6 0 peak 3743 ppm1 2.157 ppm2 4.687 volume 0.1699 assi ((( attr rmsd < 2.016) and (attr rmsd > 1.916)) and bondedto(attr rmsd < 37.119 and attr rmsd > 36.119)) ( attr rmsd < 4.736 and attr rmsd > 4.636) 6 6 0 peak 3744 ppm1 1.966 ppm2 4.686 volume 0.1763 assi ((( attr rmsd < 1.295) and (attr rmsd > 1.195)) and bondedto(attr rmsd < 37.135 and attr rmsd > 36.135)) ( attr rmsd < 0.914 and attr rmsd > 0.814) 6 6 0 peak 3745 ppm1 1.245 ppm2 0.864 volume 0.9355 assi ((( attr rmsd < 1.015) and (attr rmsd > 0.915)) and bondedto(attr rmsd < 37.130 and attr rmsd > 36.130)) ( attr rmsd < 1.107 and attr rmsd > 1.007) 6 6 0 peak 3746 ppm1 0.965 ppm2 1.057 volume 0.1845 assi ((( attr rmsd < 0.937) and (attr rmsd > 0.837)) and bondedto(attr rmsd < 37.118 and attr rmsd > 36.118)) ( attr rmsd < 1.161 and attr rmsd > 1.061) 6 6 0 peak 3747 ppm1 0.887 ppm2 1.111 volume 0.3589 assi ((( attr rmsd < 0.928) and (attr rmsd > 0.828)) and bondedto(attr rmsd < 37.149 and attr rmsd > 36.149)) ( attr rmsd < 1.032 and attr rmsd > 0.932) 6 6 0 peak 3748 ppm1 0.878 ppm2 0.982 volume 3.3660 assi ((( attr rmsd < 0.912) and (attr rmsd > 0.812)) and bondedto(attr rmsd < 37.137 and attr rmsd > 36.137)) ( attr rmsd < 0.816 and attr rmsd > 0.716) 6 6 0 peak 3749 ppm1 0.862 ppm2 0.766 volume 9.1683 assi ((( attr rmsd < 0.816) and (attr rmsd > 0.716)) and bondedto(attr rmsd < 37.156 and attr rmsd > 36.156)) ( attr rmsd < 0.958 and attr rmsd > 0.858) 6 6 0 peak 3750 ppm1 0.766 ppm2 0.908 volume 0.2134 assi ((( attr rmsd < 0.529) and (attr rmsd > 0.429)) and bondedto(attr rmsd < 37.145 and attr rmsd > 36.145)) ( attr rmsd < 0.912 and attr rmsd > 0.812) 6 6 0 peak 3751 ppm1 0.479 ppm2 0.862 volume 0.2743 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 60.691 and attr rmsd > 59.691)) ( attr rmsd < 4.107 and attr rmsd > 4.007) 6 6 0 peak 13752 ppm1 4.848 ppm2 4.057 volume 0.6717 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 13.171 and attr rmsd > 12.171)) ( attr rmsd < 4.107 and attr rmsd > 4.007) 6 6 0 peak 23752 ppm1 4.848 ppm2 4.057 volume 0.6717 assi ((( attr rmsd < 4.831) and (attr rmsd > 4.731)) and bondedto(attr rmsd < 60.745 and attr rmsd > 59.745)) ( attr rmsd < 4.544 and attr rmsd > 4.444) 6 6 0 peak 13753 ppm1 4.781 ppm2 4.494 volume 0.2324 assi ((( attr rmsd < 4.831) and (attr rmsd > 4.731)) and bondedto(attr rmsd < 13.225 and attr rmsd > 12.225)) ( attr rmsd < 4.544 and attr rmsd > 4.444) 6 6 0 peak 23753 ppm1 4.781 ppm2 4.494 volume 0.2324 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 60.696 and attr rmsd > 59.696)) ( attr rmsd < 4.107 and attr rmsd > 4.007) 6 6 0 peak 13754 ppm1 4.712 ppm2 4.057 volume 0.6609 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 13.176 and attr rmsd > 12.176)) ( attr rmsd < 4.107 and attr rmsd > 4.007) 6 6 0 peak 23754 ppm1 4.712 ppm2 4.057 volume 0.6609 assi ((( attr rmsd < 4.679) and (attr rmsd > 4.579)) and bondedto(attr rmsd < 60.628 and attr rmsd > 59.628)) ( attr rmsd < 5.461 and attr rmsd > 5.361) 6 6 0 peak 13755 ppm1 4.629 ppm2 5.411 volume 0.1521 assi ((( attr rmsd < 4.679) and (attr rmsd > 4.579)) and bondedto(attr rmsd < 13.108 and attr rmsd > 12.108)) ( attr rmsd < 5.461 and attr rmsd > 5.361) 6 6 0 peak 23755 ppm1 4.629 ppm2 5.411 volume 0.1521 assi ((( attr rmsd < 4.684) and (attr rmsd > 4.584)) and bondedto(attr rmsd < 60.692 and attr rmsd > 59.692)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 13756 ppm1 4.634 ppm2 0.545 volume 0.2464 assi ((( attr rmsd < 4.684) and (attr rmsd > 4.584)) and bondedto(attr rmsd < 13.172 and attr rmsd > 12.172)) ( attr rmsd < 0.595 and attr rmsd > 0.495) 6 6 0 peak 23756 ppm1 4.634 ppm2 0.545 volume 0.2464 assi ((( attr rmsd < 4.538) and (attr rmsd > 4.438)) and bondedto(attr rmsd < 60.751 and attr rmsd > 59.751)) ( attr rmsd < 4.543 and attr rmsd > 4.443) 6 6 0 peak 13757 ppm1 4.488 ppm2 4.493 volume 3.6701 assi ((( attr rmsd < 4.538) and (attr rmsd > 4.438)) and bondedto(attr rmsd < 13.231 and attr rmsd > 12.231)) ( attr rmsd < 4.543 and attr rmsd > 4.443) 6 6 0 peak 23757 ppm1 4.488 ppm2 4.493 volume 3.6701 assi ((( attr rmsd < 4.099) and (attr rmsd > 3.999)) and bondedto(attr rmsd < 60.727 and attr rmsd > 59.727)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 13758 ppm1 4.049 ppm2 4.772 volume 0.5569 assi ((( attr rmsd < 4.099) and (attr rmsd > 3.999)) and bondedto(attr rmsd < 13.207 and attr rmsd > 12.207)) ( attr rmsd < 4.822 and attr rmsd > 4.722) 6 6 0 peak 23758 ppm1 4.049 ppm2 4.772 volume 0.5569 assi ((( attr rmsd < 4.103) and (attr rmsd > 4.003)) and bondedto(attr rmsd < 60.720 and attr rmsd > 59.720)) ( attr rmsd < 4.106 and attr rmsd > 4.006) 6 6 0 peak 13759 ppm1 4.053 ppm2 4.056 volume 8.8391 assi ((( attr rmsd < 4.103) and (attr rmsd > 4.003)) and bondedto(attr rmsd < 13.200 and attr rmsd > 12.200)) ( attr rmsd < 4.106 and attr rmsd > 4.006) 6 6 0 peak 23759 ppm1 4.053 ppm2 4.056 volume 8.8391 assi ((( attr rmsd < 4.104) and (attr rmsd > 4.004)) and bondedto(attr rmsd < 60.801 and attr rmsd > 59.801)) ( attr rmsd < 3.026 and attr rmsd > 2.926) 6 6 0 peak 13760 ppm1 4.054 ppm2 2.976 volume 0.1637 assi ((( attr rmsd < 4.104) and (attr rmsd > 4.004)) and bondedto(attr rmsd < 13.281 and attr rmsd > 12.281)) ( attr rmsd < 3.026 and attr rmsd > 2.926) 6 6 0 peak 23760 ppm1 4.054 ppm2 2.976 volume 0.1637 assi ((( attr rmsd < 4.095) and (attr rmsd > 3.995)) and bondedto(attr rmsd < 60.712 and attr rmsd > 59.712)) ( attr rmsd < 1.526 and attr rmsd > 1.426) 6 6 0 peak 13761 ppm1 4.045 ppm2 1.476 volume 0.7242 assi ((( attr rmsd < 4.095) and (attr rmsd > 3.995)) and bondedto(attr rmsd < 13.192 and attr rmsd > 12.192)) ( attr rmsd < 1.526 and attr rmsd > 1.426) 6 6 0 peak 23761 ppm1 4.045 ppm2 1.476 volume 0.7242 assi ((( attr rmsd < 4.090) and (attr rmsd > 3.990)) and bondedto(attr rmsd < 60.673 and attr rmsd > 59.673)) ( attr rmsd < 2.469 and attr rmsd > 2.369) 6 6 0 peak 13762 ppm1 4.040 ppm2 2.419 volume 0.2916 assi ((( attr rmsd < 4.090) and (attr rmsd > 3.990)) and bondedto(attr rmsd < 13.153 and attr rmsd > 12.153)) ( attr rmsd < 2.469 and attr rmsd > 2.369) 6 6 0 peak 23762 ppm1 4.040 ppm2 2.419 volume 0.2916 assi ((( attr rmsd < 4.082) and (attr rmsd > 3.982)) and bondedto(attr rmsd < 60.633 and attr rmsd > 59.633)) ( attr rmsd < 2.351 and attr rmsd > 2.251) 6 6 0 peak 13763 ppm1 4.032 ppm2 2.301 volume 0.1762 assi ((( attr rmsd < 4.082) and (attr rmsd > 3.982)) and bondedto(attr rmsd < 13.113 and attr rmsd > 12.113)) ( attr rmsd < 2.351 and attr rmsd > 2.251) 6 6 0 peak 23763 ppm1 4.032 ppm2 2.301 volume 0.1762 assi ((( attr rmsd < 4.090) and (attr rmsd > 3.990)) and bondedto(attr rmsd < 60.674 and attr rmsd > 59.674)) ( attr rmsd < 2.226 and attr rmsd > 2.126) 6 6 0 peak 13764 ppm1 4.040 ppm2 2.176 volume 0.5547 assi ((( attr rmsd < 4.090) and (attr rmsd > 3.990)) and bondedto(attr rmsd < 13.154 and attr rmsd > 12.154)) ( attr rmsd < 2.226 and attr rmsd > 2.126) 6 6 0 peak 23764 ppm1 4.040 ppm2 2.176 volume 0.5547 assi ((( attr rmsd < 3.892) and (attr rmsd > 3.792)) and bondedto(attr rmsd < 60.725 and attr rmsd > 59.725)) ( attr rmsd < 3.896 and attr rmsd > 3.796) 6 6 0 peak 13765 ppm1 3.842 ppm2 3.846 volume 0.5566 assi ((( attr rmsd < 3.892) and (attr rmsd > 3.792)) and bondedto(attr rmsd < 13.205 and attr rmsd > 12.205)) ( attr rmsd < 3.896 and attr rmsd > 3.796) 6 6 0 peak 23765 ppm1 3.842 ppm2 3.846 volume 0.5566 assi ((( attr rmsd < 2.144) and (attr rmsd > 2.044)) and bondedto(attr rmsd < 60.654 and attr rmsd > 59.654)) ( attr rmsd < 1.617 and attr rmsd > 1.517) 6 6 0 peak 13766 ppm1 2.094 ppm2 1.567 volume 0.1549 assi ((( attr rmsd < 2.144) and (attr rmsd > 2.044)) and bondedto(attr rmsd < 13.134 and attr rmsd > 12.134)) ( attr rmsd < 1.617 and attr rmsd > 1.517) 6 6 0 peak 23766 ppm1 2.094 ppm2 1.567 volume 0.1549 assi ((( attr rmsd < 1.025) and (attr rmsd > 0.925)) and bondedto(attr rmsd < 60.802 and attr rmsd > 59.802)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13767 ppm1 0.975 ppm2 4.775 volume 0.1653 assi ((( attr rmsd < 1.025) and (attr rmsd > 0.925)) and bondedto(attr rmsd < 13.282 and attr rmsd > 12.282)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23767 ppm1 0.975 ppm2 4.775 volume 0.1653 assi ((( attr rmsd < 0.926) and (attr rmsd > 0.826)) and bondedto(attr rmsd < 60.676 and attr rmsd > 59.676)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 13768 ppm1 0.876 ppm2 2.030 volume 0.2302 assi ((( attr rmsd < 0.926) and (attr rmsd > 0.826)) and bondedto(attr rmsd < 13.156 and attr rmsd > 12.156)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 23768 ppm1 0.876 ppm2 2.030 volume 0.2302 assi ((( attr rmsd < 0.874) and (attr rmsd > 0.774)) and bondedto(attr rmsd < 60.790 and attr rmsd > 59.790)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13769 ppm1 0.824 ppm2 4.776 volume 0.1534 assi ((( attr rmsd < 0.874) and (attr rmsd > 0.774)) and bondedto(attr rmsd < 13.270 and attr rmsd > 12.270)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23769 ppm1 0.824 ppm2 4.776 volume 0.1534 assi ((( attr rmsd < 4.405) and (attr rmsd > 4.305)) and bondedto(attr rmsd < 36.936 and attr rmsd > 35.936)) ( attr rmsd < 4.551 and attr rmsd > 4.451) 6 6 0 peak 3770 ppm1 4.355 ppm2 4.501 volume 0.1769 assi ((( attr rmsd < 4.273) and (attr rmsd > 4.173)) and bondedto(attr rmsd < 36.949 and attr rmsd > 35.949)) ( attr rmsd < 4.542 and attr rmsd > 4.442) 6 6 0 peak 3771 ppm1 4.223 ppm2 4.492 volume 0.1706 assi ((( attr rmsd < 4.191) and (attr rmsd > 4.091)) and bondedto(attr rmsd < 36.968 and attr rmsd > 35.968)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 3772 ppm1 4.141 ppm2 0.858 volume 0.2057 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 36.974 and attr rmsd > 35.974)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 3773 ppm1 3.812 ppm2 3.595 volume 0.1609 assi ((( attr rmsd < 2.526) and (attr rmsd > 2.426)) and bondedto(attr rmsd < 36.940 and attr rmsd > 35.940)) ( attr rmsd < 2.039 and attr rmsd > 1.939) 6 6 0 peak 3774 ppm1 2.476 ppm2 1.989 volume 0.2871 assi ((( attr rmsd < 2.474) and (attr rmsd > 2.374)) and bondedto(attr rmsd < 36.937 and attr rmsd > 35.937)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 3775 ppm1 2.424 ppm2 4.142 volume 0.3364 assi ((( attr rmsd < 2.386) and (attr rmsd > 2.286)) and bondedto(attr rmsd < 36.947 and attr rmsd > 35.947)) ( attr rmsd < 4.205 and attr rmsd > 4.105) 6 6 0 peak 3776 ppm1 2.336 ppm2 4.155 volume 0.4800 assi ((( attr rmsd < 2.258) and (attr rmsd > 2.158)) and bondedto(attr rmsd < 36.944 and attr rmsd > 35.944)) ( attr rmsd < 4.284 and attr rmsd > 4.184) 6 6 0 peak 3777 ppm1 2.208 ppm2 4.234 volume 0.1870 assi ((( attr rmsd < 2.249) and (attr rmsd > 2.149)) and bondedto(attr rmsd < 36.982 and attr rmsd > 35.982)) ( attr rmsd < 1.899 and attr rmsd > 1.799) 6 6 0 peak 3778 ppm1 2.199 ppm2 1.849 volume 1.1423 assi ((( attr rmsd < 2.162) and (attr rmsd > 2.062)) and bondedto(attr rmsd < 36.938 and attr rmsd > 35.938)) ( attr rmsd < 4.296 and attr rmsd > 4.196) 6 6 0 peak 3779 ppm1 2.112 ppm2 4.246 volume 0.1622 assi ((( attr rmsd < 2.163) and (attr rmsd > 2.063)) and bondedto(attr rmsd < 36.879 and attr rmsd > 35.879)) ( attr rmsd < 2.164 and attr rmsd > 2.064) 6 6 0 peak 3780 ppm1 2.113 ppm2 2.114 volume 4.1592 assi ((( attr rmsd < 0.725) and (attr rmsd > 0.625)) and bondedto(attr rmsd < 36.886 and attr rmsd > 35.886)) ( attr rmsd < 1.010 and attr rmsd > 0.910) 6 6 0 peak 3781 ppm1 0.675 ppm2 0.960 volume 0.2139 assi ((( attr rmsd < 0.718) and (attr rmsd > 0.618)) and bondedto(attr rmsd < 36.860 and attr rmsd > 35.860)) ( attr rmsd < 1.526 and attr rmsd > 1.426) 6 6 0 peak 3782 ppm1 0.668 ppm2 1.476 volume 0.2057 assi ((( attr rmsd < 5.227) and (attr rmsd > 5.127)) and bondedto(attr rmsd < 60.497 and attr rmsd > 59.497)) ( attr rmsd < 4.661 and attr rmsd > 4.561) 6 6 0 peak 13783 ppm1 5.177 ppm2 4.611 volume 0.3184 assi ((( attr rmsd < 5.227) and (attr rmsd > 5.127)) and bondedto(attr rmsd < 12.977 and attr rmsd > 11.977)) ( attr rmsd < 4.661 and attr rmsd > 4.561) 6 6 0 peak 23783 ppm1 5.177 ppm2 4.611 volume 0.3184 assi ((( attr rmsd < 5.069) and (attr rmsd > 4.969)) and bondedto(attr rmsd < 60.474 and attr rmsd > 59.474)) ( attr rmsd < 4.661 and attr rmsd > 4.561) 6 6 0 peak 13784 ppm1 5.019 ppm2 4.611 volume 0.5081 assi ((( attr rmsd < 5.069) and (attr rmsd > 4.969)) and bondedto(attr rmsd < 12.954 and attr rmsd > 11.954)) ( attr rmsd < 4.661 and attr rmsd > 4.561) 6 6 0 peak 23784 ppm1 5.019 ppm2 4.611 volume 0.5081 assi ((( attr rmsd < 5.027) and (attr rmsd > 4.927)) and bondedto(attr rmsd < 60.522 and attr rmsd > 59.522)) ( attr rmsd < 2.488 and attr rmsd > 2.388) 6 6 0 peak 13785 ppm1 4.977 ppm2 2.438 volume 0.1853 assi ((( attr rmsd < 5.027) and (attr rmsd > 4.927)) and bondedto(attr rmsd < 13.002 and attr rmsd > 12.002)) ( attr rmsd < 2.488 and attr rmsd > 2.388) 6 6 0 peak 23785 ppm1 4.977 ppm2 2.438 volume 0.1853 assi ((( attr rmsd < 4.996) and (attr rmsd > 4.896)) and bondedto(attr rmsd < 60.486 and attr rmsd > 59.486)) ( attr rmsd < 4.658 and attr rmsd > 4.558) 6 6 0 peak 13786 ppm1 4.946 ppm2 4.608 volume 0.6357 assi ((( attr rmsd < 4.996) and (attr rmsd > 4.896)) and bondedto(attr rmsd < 12.966 and attr rmsd > 11.966)) ( attr rmsd < 4.658 and attr rmsd > 4.558) 6 6 0 peak 23786 ppm1 4.946 ppm2 4.608 volume 0.6357 assi ((( attr rmsd < 4.972) and (attr rmsd > 4.872)) and bondedto(attr rmsd < 60.559 and attr rmsd > 59.559)) ( attr rmsd < 2.494 and attr rmsd > 2.394) 6 6 0 peak 13787 ppm1 4.922 ppm2 2.444 volume 0.2281 assi ((( attr rmsd < 4.972) and (attr rmsd > 4.872)) and bondedto(attr rmsd < 13.039 and attr rmsd > 12.039)) ( attr rmsd < 2.494 and attr rmsd > 2.394) 6 6 0 peak 23787 ppm1 4.922 ppm2 2.444 volume 0.2281 assi ((( attr rmsd < 4.953) and (attr rmsd > 4.853)) and bondedto(attr rmsd < 60.472 and attr rmsd > 59.472)) ( attr rmsd < 4.653 and attr rmsd > 4.553) 6 6 0 peak 13788 ppm1 4.903 ppm2 4.603 volume 0.7134 assi ((( attr rmsd < 4.953) and (attr rmsd > 4.853)) and bondedto(attr rmsd < 12.952 and attr rmsd > 11.952)) ( attr rmsd < 4.653 and attr rmsd > 4.553) 6 6 0 peak 23788 ppm1 4.903 ppm2 4.603 volume 0.7134 assi ((( attr rmsd < 4.921) and (attr rmsd > 4.821)) and bondedto(attr rmsd < 60.463 and attr rmsd > 59.463)) ( attr rmsd < 4.651 and attr rmsd > 4.551) 6 6 0 peak 13789 ppm1 4.871 ppm2 4.601 volume 0.7806 assi ((( attr rmsd < 4.921) and (attr rmsd > 4.821)) and bondedto(attr rmsd < 12.943 and attr rmsd > 11.943)) ( attr rmsd < 4.651 and attr rmsd > 4.551) 6 6 0 peak 23789 ppm1 4.871 ppm2 4.601 volume 0.7806 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 60.554 and attr rmsd > 59.554)) ( attr rmsd < 2.478 and attr rmsd > 2.378) 6 6 0 peak 13790 ppm1 4.849 ppm2 2.428 volume 0.5318 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 13.034 and attr rmsd > 12.034)) ( attr rmsd < 2.478 and attr rmsd > 2.378) 6 6 0 peak 23790 ppm1 4.849 ppm2 2.428 volume 0.5318 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 60.459 and attr rmsd > 59.459)) ( attr rmsd < 2.325 and attr rmsd > 2.225) 6 6 0 peak 13791 ppm1 4.850 ppm2 2.275 volume 0.9752 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 12.939 and attr rmsd > 11.939)) ( attr rmsd < 2.325 and attr rmsd > 2.225) 6 6 0 peak 23791 ppm1 4.850 ppm2 2.275 volume 0.9752 assi ((( attr rmsd < 4.894) and (attr rmsd > 4.794)) and bondedto(attr rmsd < 60.579 and attr rmsd > 59.579)) ( attr rmsd < 2.151 and attr rmsd > 2.051) 6 6 0 peak 13792 ppm1 4.844 ppm2 2.101 volume 0.3223 assi ((( attr rmsd < 4.894) and (attr rmsd > 4.794)) and bondedto(attr rmsd < 13.059 and attr rmsd > 12.059)) ( attr rmsd < 2.151 and attr rmsd > 2.051) 6 6 0 peak 23792 ppm1 4.844 ppm2 2.101 volume 0.3223 assi ((( attr rmsd < 4.818) and (attr rmsd > 4.718)) and bondedto(attr rmsd < 60.548 and attr rmsd > 59.548)) ( attr rmsd < 2.484 and attr rmsd > 2.384) 6 6 0 peak 13793 ppm1 4.768 ppm2 2.434 volume 0.2723 assi ((( attr rmsd < 4.818) and (attr rmsd > 4.718)) and bondedto(attr rmsd < 13.028 and attr rmsd > 12.028)) ( attr rmsd < 2.484 and attr rmsd > 2.384) 6 6 0 peak 23793 ppm1 4.768 ppm2 2.434 volume 0.2723 assi ((( attr rmsd < 4.793) and (attr rmsd > 4.693)) and bondedto(attr rmsd < 60.468 and attr rmsd > 59.468)) ( attr rmsd < 4.649 and attr rmsd > 4.549) 6 6 0 peak 13794 ppm1 4.743 ppm2 4.599 volume 0.2944 assi ((( attr rmsd < 4.793) and (attr rmsd > 4.693)) and bondedto(attr rmsd < 12.948 and attr rmsd > 11.948)) ( attr rmsd < 4.649 and attr rmsd > 4.549) 6 6 0 peak 23794 ppm1 4.743 ppm2 4.599 volume 0.2944 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 60.549 and attr rmsd > 59.549)) ( attr rmsd < 2.481 and attr rmsd > 2.381) 6 6 0 peak 13795 ppm1 4.712 ppm2 2.431 volume 0.4575 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 13.029 and attr rmsd > 12.029)) ( attr rmsd < 2.481 and attr rmsd > 2.381) 6 6 0 peak 23795 ppm1 4.712 ppm2 2.431 volume 0.4575 assi ((( attr rmsd < 4.766) and (attr rmsd > 4.666)) and bondedto(attr rmsd < 60.438 and attr rmsd > 59.438)) ( attr rmsd < 2.312 and attr rmsd > 2.212) 6 6 0 peak 13796 ppm1 4.716 ppm2 2.262 volume 0.8090 assi ((( attr rmsd < 4.766) and (attr rmsd > 4.666)) and bondedto(attr rmsd < 12.918 and attr rmsd > 11.918)) ( attr rmsd < 2.312 and attr rmsd > 2.212) 6 6 0 peak 23796 ppm1 4.716 ppm2 2.262 volume 0.8090 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 60.613 and attr rmsd > 59.613)) ( attr rmsd < 2.154 and attr rmsd > 2.054) 6 6 0 peak 13797 ppm1 4.712 ppm2 2.104 volume 0.3239 assi ((( attr rmsd < 4.762) and (attr rmsd > 4.662)) and bondedto(attr rmsd < 13.093 and attr rmsd > 12.093)) ( attr rmsd < 2.154 and attr rmsd > 2.054) 6 6 0 peak 23797 ppm1 4.712 ppm2 2.104 volume 0.3239 assi ((( attr rmsd < 4.675) and (attr rmsd > 4.575)) and bondedto(attr rmsd < 60.578 and attr rmsd > 59.578)) ( attr rmsd < 1.376 and attr rmsd > 1.276) 6 6 0 peak 13798 ppm1 4.625 ppm2 1.326 volume 0.2221 assi ((( attr rmsd < 4.675) and (attr rmsd > 4.575)) and bondedto(attr rmsd < 13.058 and attr rmsd > 12.058)) ( attr rmsd < 1.376 and attr rmsd > 1.276) 6 6 0 peak 23798 ppm1 4.625 ppm2 1.326 volume 0.2221 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 60.486 and attr rmsd > 59.486)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 13799 ppm1 4.612 ppm2 4.618 volume 4.0420 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 12.966 and attr rmsd > 11.966)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 23799 ppm1 4.612 ppm2 4.618 volume 4.0420 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 60.467 and attr rmsd > 59.467)) ( attr rmsd < 2.323 and attr rmsd > 2.223) 6 6 0 peak 13800 ppm1 4.612 ppm2 2.273 volume 0.7957 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 12.947 and attr rmsd > 11.947)) ( attr rmsd < 2.323 and attr rmsd > 2.223) 6 6 0 peak 23800 ppm1 4.612 ppm2 2.273 volume 0.7957 assi ((( attr rmsd < 4.666) and (attr rmsd > 4.566)) and bondedto(attr rmsd < 60.478 and attr rmsd > 59.478)) ( attr rmsd < 1.001 and attr rmsd > 0.901) 6 6 0 peak 13801 ppm1 4.616 ppm2 0.951 volume 0.6744 assi ((( attr rmsd < 4.666) and (attr rmsd > 4.566)) and bondedto(attr rmsd < 12.958 and attr rmsd > 11.958)) ( attr rmsd < 1.001 and attr rmsd > 0.901) 6 6 0 peak 23801 ppm1 4.616 ppm2 0.951 volume 0.6744 assi ((( attr rmsd < 4.087) and (attr rmsd > 3.987)) and bondedto(attr rmsd < 60.538 and attr rmsd > 59.538)) ( attr rmsd < 2.129 and attr rmsd > 2.029) 6 6 0 peak 13802 ppm1 4.037 ppm2 2.079 volume 0.4009 assi ((( attr rmsd < 4.087) and (attr rmsd > 3.987)) and bondedto(attr rmsd < 13.018 and attr rmsd > 12.018)) ( attr rmsd < 2.129 and attr rmsd > 2.029) 6 6 0 peak 23802 ppm1 4.037 ppm2 2.079 volume 0.4009 assi ((( attr rmsd < 2.484) and (attr rmsd > 2.384)) and bondedto(attr rmsd < 60.557 and attr rmsd > 59.557)) ( attr rmsd < 1.715 and attr rmsd > 1.615) 6 6 0 peak 13803 ppm1 2.434 ppm2 1.665 volume 0.1789 assi ((( attr rmsd < 2.484) and (attr rmsd > 2.384)) and bondedto(attr rmsd < 13.037 and attr rmsd > 12.037)) ( attr rmsd < 1.715 and attr rmsd > 1.615) 6 6 0 peak 23803 ppm1 2.434 ppm2 1.665 volume 0.1789 assi ((( attr rmsd < 2.482) and (attr rmsd > 2.382)) and bondedto(attr rmsd < 60.548 and attr rmsd > 59.548)) ( attr rmsd < 1.396 and attr rmsd > 1.296) 6 6 0 peak 13804 ppm1 2.432 ppm2 1.346 volume 0.1852 assi ((( attr rmsd < 2.482) and (attr rmsd > 2.382)) and bondedto(attr rmsd < 13.028 and attr rmsd > 12.028)) ( attr rmsd < 1.396 and attr rmsd > 1.296) 6 6 0 peak 23804 ppm1 2.432 ppm2 1.346 volume 0.1852 assi ((( attr rmsd < 2.485) and (attr rmsd > 2.385)) and bondedto(attr rmsd < 60.572 and attr rmsd > 59.572)) ( attr rmsd < 1.344 and attr rmsd > 1.244) 6 6 0 peak 13805 ppm1 2.435 ppm2 1.294 volume 0.1917 assi ((( attr rmsd < 2.485) and (attr rmsd > 2.385)) and bondedto(attr rmsd < 13.052 and attr rmsd > 12.052)) ( attr rmsd < 1.344 and attr rmsd > 1.244) 6 6 0 peak 23805 ppm1 2.435 ppm2 1.294 volume 0.1917 assi ((( attr rmsd < 2.482) and (attr rmsd > 2.382)) and bondedto(attr rmsd < 60.600 and attr rmsd > 59.600)) ( attr rmsd < 1.162 and attr rmsd > 1.062) 6 6 0 peak 13806 ppm1 2.432 ppm2 1.112 volume 0.1904 assi ((( attr rmsd < 2.482) and (attr rmsd > 2.382)) and bondedto(attr rmsd < 13.080 and attr rmsd > 12.080)) ( attr rmsd < 1.162 and attr rmsd > 1.062) 6 6 0 peak 23806 ppm1 2.432 ppm2 1.112 volume 0.1904 assi ((( attr rmsd < 2.476) and (attr rmsd > 2.376)) and bondedto(attr rmsd < 60.556 and attr rmsd > 59.556)) ( attr rmsd < 1.928 and attr rmsd > 1.828) 6 6 0 peak 13807 ppm1 2.426 ppm2 1.878 volume 0.2701 assi ((( attr rmsd < 2.476) and (attr rmsd > 2.376)) and bondedto(attr rmsd < 13.036 and attr rmsd > 12.036)) ( attr rmsd < 1.928 and attr rmsd > 1.828) 6 6 0 peak 23807 ppm1 2.426 ppm2 1.878 volume 0.2701 assi ((( attr rmsd < 2.343) and (attr rmsd > 2.243)) and bondedto(attr rmsd < 60.465 and attr rmsd > 59.465)) ( attr rmsd < 1.906 and attr rmsd > 1.806) 6 6 0 peak 13808 ppm1 2.293 ppm2 1.856 volume 0.4531 assi ((( attr rmsd < 2.343) and (attr rmsd > 2.243)) and bondedto(attr rmsd < 12.945 and attr rmsd > 11.945)) ( attr rmsd < 1.906 and attr rmsd > 1.806) 6 6 0 peak 23808 ppm1 2.293 ppm2 1.856 volume 0.4531 assi ((( attr rmsd < 2.325) and (attr rmsd > 2.225)) and bondedto(attr rmsd < 60.468 and attr rmsd > 59.468)) ( attr rmsd < 1.412 and attr rmsd > 1.312) 6 6 0 peak 13809 ppm1 2.275 ppm2 1.362 volume 0.3412 assi ((( attr rmsd < 2.325) and (attr rmsd > 2.225)) and bondedto(attr rmsd < 12.948 and attr rmsd > 11.948)) ( attr rmsd < 1.412 and attr rmsd > 1.312) 6 6 0 peak 23809 ppm1 2.275 ppm2 1.362 volume 0.3412 assi ((( attr rmsd < 2.331) and (attr rmsd > 2.231)) and bondedto(attr rmsd < 60.462 and attr rmsd > 59.462)) ( attr rmsd < 1.105 and attr rmsd > 1.005) 6 6 0 peak 13810 ppm1 2.281 ppm2 1.055 volume 0.3275 assi ((( attr rmsd < 2.331) and (attr rmsd > 2.231)) and bondedto(attr rmsd < 12.942 and attr rmsd > 11.942)) ( attr rmsd < 1.105 and attr rmsd > 1.005) 6 6 0 peak 23810 ppm1 2.281 ppm2 1.055 volume 0.3275 assi ((( attr rmsd < 2.312) and (attr rmsd > 2.212)) and bondedto(attr rmsd < 60.450 and attr rmsd > 59.450)) ( attr rmsd < 0.691 and attr rmsd > 0.591) 6 6 0 peak 13811 ppm1 2.262 ppm2 0.641 volume 0.4062 assi ((( attr rmsd < 2.312) and (attr rmsd > 2.212)) and bondedto(attr rmsd < 12.930 and attr rmsd > 11.930)) ( attr rmsd < 0.691 and attr rmsd > 0.591) 6 6 0 peak 23811 ppm1 2.262 ppm2 0.641 volume 0.4062 assi ((( attr rmsd < 2.184) and (attr rmsd > 2.084)) and bondedto(attr rmsd < 60.489 and attr rmsd > 59.489)) ( attr rmsd < 2.481 and attr rmsd > 2.381) 6 6 0 peak 13812 ppm1 2.134 ppm2 2.431 volume 0.1492 assi ((( attr rmsd < 2.184) and (attr rmsd > 2.084)) and bondedto(attr rmsd < 12.969 and attr rmsd > 11.969)) ( attr rmsd < 2.481 and attr rmsd > 2.381) 6 6 0 peak 23812 ppm1 2.134 ppm2 2.431 volume 0.1492 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 60.524 and attr rmsd > 59.524)) ( attr rmsd < 0.627 and attr rmsd > 0.527) 6 6 0 peak 13813 ppm1 2.100 ppm2 0.577 volume 0.1573 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 13.004 and attr rmsd > 12.004)) ( attr rmsd < 0.627 and attr rmsd > 0.527) 6 6 0 peak 23813 ppm1 2.100 ppm2 0.577 volume 0.1573 assi ((( attr rmsd < 2.156) and (attr rmsd > 2.056)) and bondedto(attr rmsd < 60.547 and attr rmsd > 59.547)) ( attr rmsd < 0.475 and attr rmsd > 0.375) 6 6 0 peak 13814 ppm1 2.106 ppm2 0.425 volume 0.2007 assi ((( attr rmsd < 2.156) and (attr rmsd > 2.056)) and bondedto(attr rmsd < 13.027 and attr rmsd > 12.027)) ( attr rmsd < 0.475 and attr rmsd > 0.375) 6 6 0 peak 23814 ppm1 2.106 ppm2 0.425 volume 0.2007 assi ((( attr rmsd < 2.159) and (attr rmsd > 2.059)) and bondedto(attr rmsd < 60.514 and attr rmsd > 59.514)) ( attr rmsd < 0.383 and attr rmsd > 0.283) 6 6 0 peak 13815 ppm1 2.109 ppm2 0.333 volume 0.2097 assi ((( attr rmsd < 2.159) and (attr rmsd > 2.059)) and bondedto(attr rmsd < 12.994 and attr rmsd > 11.994)) ( attr rmsd < 0.383 and attr rmsd > 0.283) 6 6 0 peak 23815 ppm1 2.109 ppm2 0.333 volume 0.2097 assi ((( attr rmsd < 2.152) and (attr rmsd > 2.052)) and bondedto(attr rmsd < 60.529 and attr rmsd > 59.529)) ( attr rmsd < 0.216 and attr rmsd > 0.116) 6 6 0 peak 13816 ppm1 2.102 ppm2 0.166 volume 0.2834 assi ((( attr rmsd < 2.152) and (attr rmsd > 2.052)) and bondedto(attr rmsd < 13.009 and attr rmsd > 12.009)) ( attr rmsd < 0.216 and attr rmsd > 0.116) 6 6 0 peak 23816 ppm1 2.102 ppm2 0.166 volume 0.2834 assi ((( attr rmsd < 2.142) and (attr rmsd > 2.042)) and bondedto(attr rmsd < 60.573 and attr rmsd > 59.573)) ( attr rmsd < 1.788 and attr rmsd > 1.688) 6 6 0 peak 13817 ppm1 2.092 ppm2 1.738 volume 0.1815 assi ((( attr rmsd < 2.142) and (attr rmsd > 2.042)) and bondedto(attr rmsd < 13.053 and attr rmsd > 12.053)) ( attr rmsd < 1.788 and attr rmsd > 1.688) 6 6 0 peak 23817 ppm1 2.092 ppm2 1.738 volume 0.1815 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 60.574 and attr rmsd > 59.574)) ( attr rmsd < 1.726 and attr rmsd > 1.626) 6 6 0 peak 13818 ppm1 2.093 ppm2 1.676 volume 0.1555 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 13.054 and attr rmsd > 12.054)) ( attr rmsd < 1.726 and attr rmsd > 1.626) 6 6 0 peak 23818 ppm1 2.093 ppm2 1.676 volume 0.1555 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 60.495 and attr rmsd > 59.495)) ( attr rmsd < 1.498 and attr rmsd > 1.398) 6 6 0 peak 13819 ppm1 2.093 ppm2 1.448 volume 0.1496 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 12.975 and attr rmsd > 11.975)) ( attr rmsd < 1.498 and attr rmsd > 1.398) 6 6 0 peak 23819 ppm1 2.093 ppm2 1.448 volume 0.1496 assi ((( attr rmsd < 2.145) and (attr rmsd > 2.045)) and bondedto(attr rmsd < 60.532 and attr rmsd > 59.532)) ( attr rmsd < 1.333 and attr rmsd > 1.233) 6 6 0 peak 13820 ppm1 2.095 ppm2 1.283 volume 0.1526 assi ((( attr rmsd < 2.145) and (attr rmsd > 2.045)) and bondedto(attr rmsd < 13.012 and attr rmsd > 12.012)) ( attr rmsd < 1.333 and attr rmsd > 1.233) 6 6 0 peak 23820 ppm1 2.095 ppm2 1.283 volume 0.1526 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 60.564 and attr rmsd > 59.564)) ( attr rmsd < 1.171 and attr rmsd > 1.071) 6 6 0 peak 13821 ppm1 2.093 ppm2 1.121 volume 0.1490 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 13.044 and attr rmsd > 12.044)) ( attr rmsd < 1.171 and attr rmsd > 1.071) 6 6 0 peak 23821 ppm1 2.093 ppm2 1.121 volume 0.1490 assi ((( attr rmsd < 2.076) and (attr rmsd > 1.976)) and bondedto(attr rmsd < 60.511 and attr rmsd > 59.511)) ( attr rmsd < 2.486 and attr rmsd > 2.386) 6 6 0 peak 13822 ppm1 2.026 ppm2 2.436 volume 0.1461 assi ((( attr rmsd < 2.076) and (attr rmsd > 1.976)) and bondedto(attr rmsd < 12.991 and attr rmsd > 11.991)) ( attr rmsd < 2.486 and attr rmsd > 2.386) 6 6 0 peak 23822 ppm1 2.026 ppm2 2.436 volume 0.1461 assi ((( attr rmsd < 2.068) and (attr rmsd > 1.968)) and bondedto(attr rmsd < 60.543 and attr rmsd > 59.543)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 13823 ppm1 2.018 ppm2 -0.011 volume 0.2124 assi ((( attr rmsd < 2.068) and (attr rmsd > 1.968)) and bondedto(attr rmsd < 13.023 and attr rmsd > 12.023)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 23823 ppm1 2.018 ppm2 -0.011 volume 0.2124 assi ((( attr rmsd < 1.952) and (attr rmsd > 1.852)) and bondedto(attr rmsd < 60.442 and attr rmsd > 59.442)) ( attr rmsd < 2.301 and attr rmsd > 2.201) 6 6 0 peak 13824 ppm1 1.902 ppm2 2.251 volume 0.3042 assi ((( attr rmsd < 1.952) and (attr rmsd > 1.852)) and bondedto(attr rmsd < 12.922 and attr rmsd > 11.922)) ( attr rmsd < 2.301 and attr rmsd > 2.201) 6 6 0 peak 23824 ppm1 1.902 ppm2 2.251 volume 0.3042 assi ((( attr rmsd < 1.837) and (attr rmsd > 1.737)) and bondedto(attr rmsd < 60.544 and attr rmsd > 59.544)) ( attr rmsd < 2.285 and attr rmsd > 2.185) 6 6 0 peak 13825 ppm1 1.787 ppm2 2.235 volume 0.1811 assi ((( attr rmsd < 1.837) and (attr rmsd > 1.737)) and bondedto(attr rmsd < 13.024 and attr rmsd > 12.024)) ( attr rmsd < 2.285 and attr rmsd > 2.185) 6 6 0 peak 23825 ppm1 1.787 ppm2 2.235 volume 0.1811 assi ((( attr rmsd < 1.046) and (attr rmsd > 0.946)) and bondedto(attr rmsd < 60.465 and attr rmsd > 59.465)) ( attr rmsd < 2.077 and attr rmsd > 1.977) 6 6 0 peak 13826 ppm1 0.996 ppm2 2.027 volume 0.1838 assi ((( attr rmsd < 1.046) and (attr rmsd > 0.946)) and bondedto(attr rmsd < 12.945 and attr rmsd > 11.945)) ( attr rmsd < 2.077 and attr rmsd > 1.977) 6 6 0 peak 23826 ppm1 0.996 ppm2 2.027 volume 0.1838 assi ((( attr rmsd < 0.570) and (attr rmsd > 0.470)) and bondedto(attr rmsd < 60.469 and attr rmsd > 59.469)) ( attr rmsd < 2.309 and attr rmsd > 2.209) 6 6 0 peak 13827 ppm1 0.520 ppm2 2.259 volume 0.1495 assi ((( attr rmsd < 0.570) and (attr rmsd > 0.470)) and bondedto(attr rmsd < 12.949 and attr rmsd > 11.949)) ( attr rmsd < 2.309 and attr rmsd > 2.209) 6 6 0 peak 23827 ppm1 0.520 ppm2 2.259 volume 0.1495 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 36.718 and attr rmsd > 35.718)) ( attr rmsd < 4.690 and attr rmsd > 4.590) 6 6 0 peak 3828 ppm1 4.833 ppm2 4.640 volume 0.3966 assi ((( attr rmsd < 4.761) and (attr rmsd > 4.661)) and bondedto(attr rmsd < 36.760 and attr rmsd > 35.760)) ( attr rmsd < 0.769 and attr rmsd > 0.669) 6 6 0 peak 3829 ppm1 4.711 ppm2 0.719 volume 0.2265 assi ((( attr rmsd < 4.744) and (attr rmsd > 4.644)) and bondedto(attr rmsd < 36.727 and attr rmsd > 35.727)) ( attr rmsd < 4.659 and attr rmsd > 4.559) 6 6 0 peak 3830 ppm1 4.694 ppm2 4.609 volume 1.5699 assi ((( attr rmsd < 4.535) and (attr rmsd > 4.435)) and bondedto(attr rmsd < 36.674 and attr rmsd > 35.674)) ( attr rmsd < 4.679 and attr rmsd > 4.579) 6 6 0 peak 3831 ppm1 4.485 ppm2 4.629 volume 0.3604 assi ((( attr rmsd < 4.513) and (attr rmsd > 4.413)) and bondedto(attr rmsd < 36.705 and attr rmsd > 35.705)) ( attr rmsd < 4.673 and attr rmsd > 4.573) 6 6 0 peak 3832 ppm1 4.463 ppm2 4.623 volume 0.3474 assi ((( attr rmsd < 4.425) and (attr rmsd > 4.325)) and bondedto(attr rmsd < 36.691 and attr rmsd > 35.691)) ( attr rmsd < 4.671 and attr rmsd > 4.571) 6 6 0 peak 3833 ppm1 4.375 ppm2 4.621 volume 0.4210 assi ((( attr rmsd < 4.389) and (attr rmsd > 4.289)) and bondedto(attr rmsd < 36.721 and attr rmsd > 35.721)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 3834 ppm1 4.339 ppm2 4.618 volume 0.3908 assi ((( attr rmsd < 4.306) and (attr rmsd > 4.206)) and bondedto(attr rmsd < 36.718 and attr rmsd > 35.718)) ( attr rmsd < 4.669 and attr rmsd > 4.569) 6 6 0 peak 3835 ppm1 4.256 ppm2 4.619 volume 0.3148 assi ((( attr rmsd < 4.277) and (attr rmsd > 4.177)) and bondedto(attr rmsd < 36.711 and attr rmsd > 35.711)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 3836 ppm1 4.227 ppm2 4.618 volume 0.3058 assi ((( attr rmsd < 4.199) and (attr rmsd > 4.099)) and bondedto(attr rmsd < 36.729 and attr rmsd > 35.729)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 3837 ppm1 4.149 ppm2 4.618 volume 0.2721 assi ((( attr rmsd < 4.034) and (attr rmsd > 3.934)) and bondedto(attr rmsd < 36.701 and attr rmsd > 35.701)) ( attr rmsd < 4.672 and attr rmsd > 4.572) 6 6 0 peak 3838 ppm1 3.984 ppm2 4.622 volume 0.2178 assi ((( attr rmsd < 3.954) and (attr rmsd > 3.854)) and bondedto(attr rmsd < 36.732 and attr rmsd > 35.732)) ( attr rmsd < 4.669 and attr rmsd > 4.569) 6 6 0 peak 3839 ppm1 3.904 ppm2 4.619 volume 0.1963 assi ((( attr rmsd < 3.911) and (attr rmsd > 3.811)) and bondedto(attr rmsd < 36.724 and attr rmsd > 35.724)) ( attr rmsd < 4.665 and attr rmsd > 4.565) 6 6 0 peak 3840 ppm1 3.861 ppm2 4.615 volume 0.1925 assi ((( attr rmsd < 3.800) and (attr rmsd > 3.700)) and bondedto(attr rmsd < 36.737 and attr rmsd > 35.737)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 3841 ppm1 3.750 ppm2 4.620 volume 0.1774 assi ((( attr rmsd < 3.730) and (attr rmsd > 3.630)) and bondedto(attr rmsd < 36.805 and attr rmsd > 35.805)) ( attr rmsd < 3.651 and attr rmsd > 3.551) 6 6 0 peak 3842 ppm1 3.680 ppm2 3.601 volume 0.3464 assi ((( attr rmsd < 3.646) and (attr rmsd > 3.546)) and bondedto(attr rmsd < 36.762 and attr rmsd > 35.762)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 3843 ppm1 3.596 ppm2 4.618 volume 0.1601 assi ((( attr rmsd < 3.587) and (attr rmsd > 3.487)) and bondedto(attr rmsd < 36.714 and attr rmsd > 35.714)) ( attr rmsd < 4.667 and attr rmsd > 4.567) 6 6 0 peak 3844 ppm1 3.537 ppm2 4.617 volume 0.1483 assi ((( attr rmsd < 3.421) and (attr rmsd > 3.321)) and bondedto(attr rmsd < 36.739 and attr rmsd > 35.739)) ( attr rmsd < 4.669 and attr rmsd > 4.569) 6 6 0 peak 3845 ppm1 3.371 ppm2 4.619 volume 0.1455 assi ((( attr rmsd < 2.491) and (attr rmsd > 2.391)) and bondedto(attr rmsd < 36.757 and attr rmsd > 35.757)) ( attr rmsd < 4.110 and attr rmsd > 4.010) 6 6 0 peak 3846 ppm1 2.441 ppm2 4.060 volume 0.4460 assi ((( attr rmsd < 2.484) and (attr rmsd > 2.384)) and bondedto(attr rmsd < 36.842 and attr rmsd > 35.842)) ( attr rmsd < 2.230 and attr rmsd > 2.130) 6 6 0 peak 3847 ppm1 2.434 ppm2 2.180 volume 1.0032 assi ((( attr rmsd < 2.475) and (attr rmsd > 2.375)) and bondedto(attr rmsd < 36.761 and attr rmsd > 35.761)) ( attr rmsd < 3.059 and attr rmsd > 2.959) 6 6 0 peak 3848 ppm1 2.425 ppm2 3.009 volume 0.1540 assi ((( attr rmsd < 2.470) and (attr rmsd > 2.370)) and bondedto(attr rmsd < 36.783 and attr rmsd > 35.783)) ( attr rmsd < 2.476 and attr rmsd > 2.376) 6 6 0 peak 3849 ppm1 2.420 ppm2 2.426 volume 7.5111 assi ((( attr rmsd < 2.474) and (attr rmsd > 2.374)) and bondedto(attr rmsd < 36.745 and attr rmsd > 35.745)) ( attr rmsd < 2.360 and attr rmsd > 2.260) 6 6 0 peak 3850 ppm1 2.424 ppm2 2.310 volume 7.0394 assi ((( attr rmsd < 2.473) and (attr rmsd > 2.373)) and bondedto(attr rmsd < 36.812 and attr rmsd > 35.812)) ( attr rmsd < 2.163 and attr rmsd > 2.063) 6 6 0 peak 3851 ppm1 2.423 ppm2 2.113 volume 1.0539 assi ((( attr rmsd < 2.354) and (attr rmsd > 2.254)) and bondedto(attr rmsd < 36.758 and attr rmsd > 35.758)) ( attr rmsd < 2.472 and attr rmsd > 2.372) 6 6 0 peak 3852 ppm1 2.304 ppm2 2.422 volume 7.4282 assi ((( attr rmsd < 2.356) and (attr rmsd > 2.256)) and bondedto(attr rmsd < 36.723 and attr rmsd > 35.723)) ( attr rmsd < 2.132 and attr rmsd > 2.032) 6 6 0 peak 3853 ppm1 2.306 ppm2 2.082 volume 1.2211 assi ((( attr rmsd < 2.342) and (attr rmsd > 2.242)) and bondedto(attr rmsd < 36.800 and attr rmsd > 35.800)) ( attr rmsd < 4.111 and attr rmsd > 4.011) 6 6 0 peak 3854 ppm1 2.292 ppm2 4.061 volume 0.4926 assi ((( attr rmsd < 2.346) and (attr rmsd > 2.246)) and bondedto(attr rmsd < 36.691 and attr rmsd > 35.691)) ( attr rmsd < 3.056 and attr rmsd > 2.956) 6 6 0 peak 3855 ppm1 2.296 ppm2 3.006 volume 0.1534 assi ((( attr rmsd < 2.268) and (attr rmsd > 2.168)) and bondedto(attr rmsd < 36.835 and attr rmsd > 35.835)) ( attr rmsd < 2.155 and attr rmsd > 2.055) 6 6 0 peak 3856 ppm1 2.218 ppm2 2.105 volume 4.0205 assi ((( attr rmsd < 2.232) and (attr rmsd > 2.132)) and bondedto(attr rmsd < 36.832 and attr rmsd > 35.832)) ( attr rmsd < 2.461 and attr rmsd > 2.361) 6 6 0 peak 3857 ppm1 2.182 ppm2 2.411 volume 0.1594 assi ((( attr rmsd < 2.161) and (attr rmsd > 2.061)) and bondedto(attr rmsd < 36.677 and attr rmsd > 35.677)) ( attr rmsd < 4.425 and attr rmsd > 4.325) 6 6 0 peak 3858 ppm1 2.111 ppm2 4.375 volume 0.1740 assi ((( attr rmsd < 2.155) and (attr rmsd > 2.055)) and bondedto(attr rmsd < 36.801 and attr rmsd > 35.801)) ( attr rmsd < 2.272 and attr rmsd > 2.172) 6 6 0 peak 3859 ppm1 2.105 ppm2 2.222 volume 5.4304 assi ((( attr rmsd < 2.161) and (attr rmsd > 2.061)) and bondedto(attr rmsd < 36.824 and attr rmsd > 35.824)) ( attr rmsd < 1.904 and attr rmsd > 1.804) 6 6 0 peak 3860 ppm1 2.111 ppm2 1.854 volume 1.1560 assi ((( attr rmsd < 2.070) and (attr rmsd > 1.970)) and bondedto(attr rmsd < 36.720 and attr rmsd > 35.720)) ( attr rmsd < 2.078 and attr rmsd > 1.978) 6 6 0 peak 3861 ppm1 2.020 ppm2 2.028 volume 4.8796 assi ((( attr rmsd < 2.067) and (attr rmsd > 1.967)) and bondedto(attr rmsd < 36.700 and attr rmsd > 35.700)) ( attr rmsd < 0.986 and attr rmsd > 0.886) 6 6 0 peak 3862 ppm1 2.017 ppm2 0.936 volume 0.9772 assi ((( attr rmsd < 1.897) and (attr rmsd > 1.797)) and bondedto(attr rmsd < 36.747 and attr rmsd > 35.747)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 3863 ppm1 1.847 ppm2 2.108 volume 0.1825 assi ((( attr rmsd < 0.992) and (attr rmsd > 0.892)) and bondedto(attr rmsd < 36.697 and attr rmsd > 35.697)) ( attr rmsd < 2.075 and attr rmsd > 1.975) 6 6 0 peak 3864 ppm1 0.942 ppm2 2.025 volume 0.3810 assi ((( attr rmsd < 0.716) and (attr rmsd > 0.616)) and bondedto(attr rmsd < 36.832 and attr rmsd > 35.832)) ( attr rmsd < 0.850 and attr rmsd > 0.750) 6 6 0 peak 3865 ppm1 0.666 ppm2 0.800 volume 0.1967 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 36.834 and attr rmsd > 35.834)) ( attr rmsd < 0.716 and attr rmsd > 0.616) 6 6 0 peak 3866 ppm1 0.661 ppm2 0.666 volume 2.1139 assi ((( attr rmsd < 4.727) and (attr rmsd > 4.627)) and bondedto(attr rmsd < 60.255 and attr rmsd > 59.255)) ( attr rmsd < 4.389 and attr rmsd > 4.289) 6 6 0 peak 13867 ppm1 4.677 ppm2 4.339 volume 0.1672 assi ((( attr rmsd < 4.727) and (attr rmsd > 4.627)) and bondedto(attr rmsd < 12.735 and attr rmsd > 11.735)) ( attr rmsd < 4.389 and attr rmsd > 4.289) 6 6 0 peak 23867 ppm1 4.677 ppm2 4.339 volume 0.1672 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 60.392 and attr rmsd > 59.392)) ( attr rmsd < 3.085 and attr rmsd > 2.985) 6 6 0 peak 13868 ppm1 3.030 ppm2 3.035 volume 0.5602 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 12.872 and attr rmsd > 11.872)) ( attr rmsd < 3.085 and attr rmsd > 2.985) 6 6 0 peak 23868 ppm1 3.030 ppm2 3.035 volume 0.5602 assi ((( attr rmsd < 2.305) and (attr rmsd > 2.205)) and bondedto(attr rmsd < 60.355 and attr rmsd > 59.355)) ( attr rmsd < 0.865 and attr rmsd > 0.765) 6 6 0 peak 13869 ppm1 2.255 ppm2 0.815 volume 0.2773 assi ((( attr rmsd < 2.305) and (attr rmsd > 2.205)) and bondedto(attr rmsd < 12.835 and attr rmsd > 11.835)) ( attr rmsd < 0.865 and attr rmsd > 0.765) 6 6 0 peak 23869 ppm1 2.255 ppm2 0.815 volume 0.2773 assi ((( attr rmsd < 2.286) and (attr rmsd > 2.186)) and bondedto(attr rmsd < 60.425 and attr rmsd > 59.425)) ( attr rmsd < 1.795 and attr rmsd > 1.695) 6 6 0 peak 13870 ppm1 2.236 ppm2 1.745 volume 0.4028 assi ((( attr rmsd < 2.286) and (attr rmsd > 2.186)) and bondedto(attr rmsd < 12.905 and attr rmsd > 11.905)) ( attr rmsd < 1.795 and attr rmsd > 1.695) 6 6 0 peak 23870 ppm1 2.236 ppm2 1.745 volume 0.4028 assi ((( attr rmsd < 2.040) and (attr rmsd > 1.940)) and bondedto(attr rmsd < 60.391 and attr rmsd > 59.391)) ( attr rmsd < 2.315 and attr rmsd > 2.215) 6 6 0 peak 13871 ppm1 1.990 ppm2 2.265 volume 0.2467 assi ((( attr rmsd < 2.040) and (attr rmsd > 1.940)) and bondedto(attr rmsd < 12.871 and attr rmsd > 11.871)) ( attr rmsd < 2.315 and attr rmsd > 2.215) 6 6 0 peak 23871 ppm1 1.990 ppm2 2.265 volume 0.2467 assi ((( attr rmsd < 4.576) and (attr rmsd > 4.476)) and bondedto(attr rmsd < 36.639 and attr rmsd > 35.639)) ( attr rmsd < 4.703 and attr rmsd > 4.603) 6 6 0 peak 3872 ppm1 4.526 ppm2 4.653 volume 0.3666 assi ((( attr rmsd < 4.194) and (attr rmsd > 4.094)) and bondedto(attr rmsd < 36.562 and attr rmsd > 35.562)) ( attr rmsd < 4.197 and attr rmsd > 4.097) 6 6 0 peak 3873 ppm1 4.144 ppm2 4.147 volume 0.9125 assi ((( attr rmsd < 3.178) and (attr rmsd > 3.078)) and bondedto(attr rmsd < 36.534 and attr rmsd > 35.534)) ( attr rmsd < 3.177 and attr rmsd > 3.077) 6 6 0 peak 3874 ppm1 3.128 ppm2 3.127 volume 0.5977 assi ((( attr rmsd < 2.301) and (attr rmsd > 2.201)) and bondedto(attr rmsd < 36.647 and attr rmsd > 35.647)) ( attr rmsd < 2.307 and attr rmsd > 2.207) 6 6 0 peak 3875 ppm1 2.251 ppm2 2.257 volume 19.9302 assi ((( attr rmsd < 2.298) and (attr rmsd > 2.198)) and bondedto(attr rmsd < 36.612 and attr rmsd > 35.612)) ( attr rmsd < 2.033 and attr rmsd > 1.933) 6 6 0 peak 3876 ppm1 2.248 ppm2 1.983 volume 1.6087 assi ((( attr rmsd < 2.288) and (attr rmsd > 2.188)) and bondedto(attr rmsd < 36.621 and attr rmsd > 35.621)) ( attr rmsd < 4.400 and attr rmsd > 4.300) 6 6 0 peak 3877 ppm1 2.238 ppm2 4.350 volume 0.2557 assi ((( attr rmsd < 2.073) and (attr rmsd > 1.973)) and bondedto(attr rmsd < 36.633 and attr rmsd > 35.633)) ( attr rmsd < 4.542 and attr rmsd > 4.442) 6 6 0 peak 3878 ppm1 2.023 ppm2 4.492 volume 0.3179 assi ((( attr rmsd < 5.036) and (attr rmsd > 4.936)) and bondedto(attr rmsd < 60.122 and attr rmsd > 59.122)) ( attr rmsd < 0.787 and attr rmsd > 0.687) 6 6 0 peak 13879 ppm1 4.986 ppm2 0.737 volume 0.2321 assi ((( attr rmsd < 5.036) and (attr rmsd > 4.936)) and bondedto(attr rmsd < 12.602 and attr rmsd > 11.602)) ( attr rmsd < 0.787 and attr rmsd > 0.687) 6 6 0 peak 23879 ppm1 4.986 ppm2 0.737 volume 0.2321 assi ((( attr rmsd < 4.911) and (attr rmsd > 4.811)) and bondedto(attr rmsd < 60.072 and attr rmsd > 59.072)) ( attr rmsd < 4.511 and attr rmsd > 4.411) 6 6 0 peak 13880 ppm1 4.861 ppm2 4.461 volume 0.7527 assi ((( attr rmsd < 4.911) and (attr rmsd > 4.811)) and bondedto(attr rmsd < 12.552 and attr rmsd > 11.552)) ( attr rmsd < 4.511 and attr rmsd > 4.411) 6 6 0 peak 23880 ppm1 4.861 ppm2 4.461 volume 0.7527 assi ((( attr rmsd < 4.778) and (attr rmsd > 4.678)) and bondedto(attr rmsd < 60.069 and attr rmsd > 59.069)) ( attr rmsd < 4.510 and attr rmsd > 4.410) 6 6 0 peak 13881 ppm1 4.728 ppm2 4.460 volume 0.4965 assi ((( attr rmsd < 4.778) and (attr rmsd > 4.678)) and bondedto(attr rmsd < 12.549 and attr rmsd > 11.549)) ( attr rmsd < 4.510 and attr rmsd > 4.410) 6 6 0 peak 23881 ppm1 4.728 ppm2 4.460 volume 0.4965 assi ((( attr rmsd < 4.722) and (attr rmsd > 4.622)) and bondedto(attr rmsd < 60.060 and attr rmsd > 59.060)) ( attr rmsd < 5.034 and attr rmsd > 4.934) 6 6 0 peak 13882 ppm1 4.672 ppm2 4.984 volume 0.2138 assi ((( attr rmsd < 4.722) and (attr rmsd > 4.622)) and bondedto(attr rmsd < 12.540 and attr rmsd > 11.540)) ( attr rmsd < 5.034 and attr rmsd > 4.934) 6 6 0 peak 23882 ppm1 4.672 ppm2 4.984 volume 0.2138 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 60.202 and attr rmsd > 59.202)) ( attr rmsd < 4.741 and attr rmsd > 4.641) 6 6 0 peak 13883 ppm1 4.680 ppm2 4.691 volume 0.6688 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 12.682 and attr rmsd > 11.682)) ( attr rmsd < 4.741 and attr rmsd > 4.641) 6 6 0 peak 23883 ppm1 4.680 ppm2 4.691 volume 0.6688 assi ((( attr rmsd < 4.725) and (attr rmsd > 4.625)) and bondedto(attr rmsd < 60.197 and attr rmsd > 59.197)) ( attr rmsd < 0.782 and attr rmsd > 0.682) 6 6 0 peak 13884 ppm1 4.675 ppm2 0.732 volume 0.4153 assi ((( attr rmsd < 4.725) and (attr rmsd > 4.625)) and bondedto(attr rmsd < 12.677 and attr rmsd > 11.677)) ( attr rmsd < 0.782 and attr rmsd > 0.682) 6 6 0 peak 23884 ppm1 4.675 ppm2 0.732 volume 0.4153 assi ((( attr rmsd < 4.643) and (attr rmsd > 4.543)) and bondedto(attr rmsd < 60.178 and attr rmsd > 59.178)) ( attr rmsd < 5.024 and attr rmsd > 4.924) 6 6 0 peak 13885 ppm1 4.593 ppm2 4.974 volume 0.2167 assi ((( attr rmsd < 4.643) and (attr rmsd > 4.543)) and bondedto(attr rmsd < 12.658 and attr rmsd > 11.658)) ( attr rmsd < 5.024 and attr rmsd > 4.924) 6 6 0 peak 23885 ppm1 4.593 ppm2 4.974 volume 0.2167 assi ((( attr rmsd < 4.626) and (attr rmsd > 4.526)) and bondedto(attr rmsd < 60.123 and attr rmsd > 59.123)) ( attr rmsd < 5.018 and attr rmsd > 4.918) 6 6 0 peak 13886 ppm1 4.576 ppm2 4.968 volume 0.2148 assi ((( attr rmsd < 4.626) and (attr rmsd > 4.526)) and bondedto(attr rmsd < 12.603 and attr rmsd > 11.603)) ( attr rmsd < 5.018 and attr rmsd > 4.918) 6 6 0 peak 23886 ppm1 4.576 ppm2 4.968 volume 0.2148 assi ((( attr rmsd < 4.624) and (attr rmsd > 4.524)) and bondedto(attr rmsd < 60.184 and attr rmsd > 59.184)) ( attr rmsd < 4.624 and attr rmsd > 4.524) 6 6 0 peak 13887 ppm1 4.574 ppm2 4.574 volume 3.3070 assi ((( attr rmsd < 4.624) and (attr rmsd > 4.524)) and bondedto(attr rmsd < 12.664 and attr rmsd > 11.664)) ( attr rmsd < 4.624 and attr rmsd > 4.524) 6 6 0 peak 23887 ppm1 4.574 ppm2 4.574 volume 3.3070 assi ((( attr rmsd < 4.618) and (attr rmsd > 4.518)) and bondedto(attr rmsd < 60.069 and attr rmsd > 59.069)) ( attr rmsd < 1.752 and attr rmsd > 1.652) 6 6 0 peak 13888 ppm1 4.568 ppm2 1.702 volume 0.5540 assi ((( attr rmsd < 4.618) and (attr rmsd > 4.518)) and bondedto(attr rmsd < 12.549 and attr rmsd > 11.549)) ( attr rmsd < 1.752 and attr rmsd > 1.652) 6 6 0 peak 23888 ppm1 4.568 ppm2 1.702 volume 0.5540 assi ((( attr rmsd < 4.617) and (attr rmsd > 4.517)) and bondedto(attr rmsd < 60.102 and attr rmsd > 59.102)) ( attr rmsd < 0.886 and attr rmsd > 0.786) 6 6 0 peak 13889 ppm1 4.567 ppm2 0.836 volume 0.4083 assi ((( attr rmsd < 4.617) and (attr rmsd > 4.517)) and bondedto(attr rmsd < 12.582 and attr rmsd > 11.582)) ( attr rmsd < 0.886 and attr rmsd > 0.786) 6 6 0 peak 23889 ppm1 4.567 ppm2 0.836 volume 0.4083 assi ((( attr rmsd < 4.506) and (attr rmsd > 4.406)) and bondedto(attr rmsd < 60.093 and attr rmsd > 59.093)) ( attr rmsd < 4.166 and attr rmsd > 4.066) 6 6 0 peak 13890 ppm1 4.456 ppm2 4.116 volume 0.4185 assi ((( attr rmsd < 4.506) and (attr rmsd > 4.406)) and bondedto(attr rmsd < 12.573 and attr rmsd > 11.573)) ( attr rmsd < 4.166 and attr rmsd > 4.066) 6 6 0 peak 23890 ppm1 4.456 ppm2 4.116 volume 0.4185 assi ((( attr rmsd < 4.509) and (attr rmsd > 4.409)) and bondedto(attr rmsd < 60.109 and attr rmsd > 59.109)) ( attr rmsd < 1.165 and attr rmsd > 1.065) 6 6 0 peak 13891 ppm1 4.459 ppm2 1.115 volume 0.3918 assi ((( attr rmsd < 4.509) and (attr rmsd > 4.409)) and bondedto(attr rmsd < 12.589 and attr rmsd > 11.589)) ( attr rmsd < 1.165 and attr rmsd > 1.065) 6 6 0 peak 23891 ppm1 4.459 ppm2 1.115 volume 0.3918 assi ((( attr rmsd < 4.496) and (attr rmsd > 4.396)) and bondedto(attr rmsd < 60.080 and attr rmsd > 59.080)) ( attr rmsd < 2.053 and attr rmsd > 1.953) 6 6 0 peak 13892 ppm1 4.446 ppm2 2.003 volume 0.1918 assi ((( attr rmsd < 4.496) and (attr rmsd > 4.396)) and bondedto(attr rmsd < 12.560 and attr rmsd > 11.560)) ( attr rmsd < 2.053 and attr rmsd > 1.953) 6 6 0 peak 23892 ppm1 4.446 ppm2 2.003 volume 0.1918 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 60.062 and attr rmsd > 59.062)) ( attr rmsd < 0.816 and attr rmsd > 0.716) 6 6 0 peak 13893 ppm1 0.865 ppm2 0.766 volume 0.9936 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 12.542 and attr rmsd > 11.542)) ( attr rmsd < 0.816 and attr rmsd > 0.716) 6 6 0 peak 23893 ppm1 0.865 ppm2 0.766 volume 0.9936 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 36.306 and attr rmsd > 35.306)) ( attr rmsd < 0.898 and attr rmsd > 0.798) 6 6 0 peak 3894 ppm1 4.852 ppm2 0.848 volume 0.2254 assi ((( attr rmsd < 4.895) and (attr rmsd > 4.795)) and bondedto(attr rmsd < 36.388 and attr rmsd > 35.388)) ( attr rmsd < 0.788 and attr rmsd > 0.688) 6 6 0 peak 3895 ppm1 4.845 ppm2 0.738 volume 0.1825 assi ((( attr rmsd < 4.692) and (attr rmsd > 4.592)) and bondedto(attr rmsd < 36.321 and attr rmsd > 35.321)) ( attr rmsd < 4.516 and attr rmsd > 4.416) 6 6 0 peak 3896 ppm1 4.642 ppm2 4.466 volume 0.4731 assi ((( attr rmsd < 4.623) and (attr rmsd > 4.523)) and bondedto(attr rmsd < 36.300 and attr rmsd > 35.300)) ( attr rmsd < 4.501 and attr rmsd > 4.401) 6 6 0 peak 3897 ppm1 4.573 ppm2 4.451 volume 0.3452 assi ((( attr rmsd < 0.926) and (attr rmsd > 0.826)) and bondedto(attr rmsd < 36.319 and attr rmsd > 35.319)) ( attr rmsd < 1.541 and attr rmsd > 1.441) 6 6 0 peak 3898 ppm1 0.876 ppm2 1.491 volume 0.1542 assi ((( attr rmsd < 0.928) and (attr rmsd > 0.828)) and bondedto(attr rmsd < 36.314 and attr rmsd > 35.314)) ( attr rmsd < 1.255 and attr rmsd > 1.155) 6 6 0 peak 3899 ppm1 0.878 ppm2 1.205 volume 0.3607 assi ((( attr rmsd < 0.913) and (attr rmsd > 0.813)) and bondedto(attr rmsd < 36.304 and attr rmsd > 35.304)) ( attr rmsd < 0.921 and attr rmsd > 0.821) 6 6 0 peak 3900 ppm1 0.863 ppm2 0.871 volume 8.5992 assi ((( attr rmsd < 0.876) and (attr rmsd > 0.776)) and bondedto(attr rmsd < 36.369 and attr rmsd > 35.369)) ( attr rmsd < 1.756 and attr rmsd > 1.656) 6 6 0 peak 3901 ppm1 0.826 ppm2 1.706 volume 0.1541 assi ((( attr rmsd < 0.869) and (attr rmsd > 0.769)) and bondedto(attr rmsd < 36.358 and attr rmsd > 35.358)) ( attr rmsd < 1.176 and attr rmsd > 1.076) 6 6 0 peak 3902 ppm1 0.819 ppm2 1.126 volume 0.1489 assi ((( attr rmsd < 5.029) and (attr rmsd > 4.929)) and bondedto(attr rmsd < 60.004 and attr rmsd > 59.004)) ( attr rmsd < 5.028 and attr rmsd > 4.928) 6 6 0 peak 13903 ppm1 4.979 ppm2 4.978 volume 1.1962 assi ((( attr rmsd < 5.029) and (attr rmsd > 4.929)) and bondedto(attr rmsd < 12.484 and attr rmsd > 11.484)) ( attr rmsd < 5.028 and attr rmsd > 4.928) 6 6 0 peak 23903 ppm1 4.979 ppm2 4.978 volume 1.1962 assi ((( attr rmsd < 5.031) and (attr rmsd > 4.931)) and bondedto(attr rmsd < 60.044 and attr rmsd > 59.044)) ( attr rmsd < 1.762 and attr rmsd > 1.662) 6 6 0 peak 13904 ppm1 4.981 ppm2 1.712 volume 0.3673 assi ((( attr rmsd < 5.031) and (attr rmsd > 4.931)) and bondedto(attr rmsd < 12.524 and attr rmsd > 11.524)) ( attr rmsd < 1.762 and attr rmsd > 1.662) 6 6 0 peak 23904 ppm1 4.981 ppm2 1.712 volume 0.3673 assi ((( attr rmsd < 5.027) and (attr rmsd > 4.927)) and bondedto(attr rmsd < 60.003 and attr rmsd > 59.003)) ( attr rmsd < 1.176 and attr rmsd > 1.076) 6 6 0 peak 13905 ppm1 4.977 ppm2 1.126 volume 0.1771 assi ((( attr rmsd < 5.027) and (attr rmsd > 4.927)) and bondedto(attr rmsd < 12.483 and attr rmsd > 11.483)) ( attr rmsd < 1.176 and attr rmsd > 1.076) 6 6 0 peak 23905 ppm1 4.977 ppm2 1.126 volume 0.1771 assi ((( attr rmsd < 5.034) and (attr rmsd > 4.934)) and bondedto(attr rmsd < 59.995 and attr rmsd > 58.995)) ( attr rmsd < 0.897 and attr rmsd > 0.797) 6 6 0 peak 13906 ppm1 4.984 ppm2 0.847 volume 0.6718 assi ((( attr rmsd < 5.034) and (attr rmsd > 4.934)) and bondedto(attr rmsd < 12.475 and attr rmsd > 11.475)) ( attr rmsd < 0.897 and attr rmsd > 0.797) 6 6 0 peak 23906 ppm1 4.984 ppm2 0.847 volume 0.6718 assi ((( attr rmsd < 4.941) and (attr rmsd > 4.841)) and bondedto(attr rmsd < 60.033 and attr rmsd > 59.033)) ( attr rmsd < 4.509 and attr rmsd > 4.409) 6 6 0 peak 13907 ppm1 4.891 ppm2 4.459 volume 0.6026 assi ((( attr rmsd < 4.941) and (attr rmsd > 4.841)) and bondedto(attr rmsd < 12.513 and attr rmsd > 11.513)) ( attr rmsd < 4.509 and attr rmsd > 4.409) 6 6 0 peak 23907 ppm1 4.891 ppm2 4.459 volume 0.6026 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 59.965 and attr rmsd > 58.965)) ( attr rmsd < 3.967 and attr rmsd > 3.867) 6 6 0 peak 13908 ppm1 4.849 ppm2 3.917 volume 0.3053 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 12.445 and attr rmsd > 11.445)) ( attr rmsd < 3.967 and attr rmsd > 3.867) 6 6 0 peak 23908 ppm1 4.849 ppm2 3.917 volume 0.3053 assi ((( attr rmsd < 4.815) and (attr rmsd > 4.715)) and bondedto(attr rmsd < 59.962 and attr rmsd > 58.962)) ( attr rmsd < 3.969 and attr rmsd > 3.869) 6 6 0 peak 13909 ppm1 4.765 ppm2 3.919 volume 0.1799 assi ((( attr rmsd < 4.815) and (attr rmsd > 4.715)) and bondedto(attr rmsd < 12.442 and attr rmsd > 11.442)) ( attr rmsd < 3.969 and attr rmsd > 3.869) 6 6 0 peak 23909 ppm1 4.765 ppm2 3.919 volume 0.1799 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 59.979 and attr rmsd > 58.979)) ( attr rmsd < 3.969 and attr rmsd > 3.869) 6 6 0 peak 13910 ppm1 4.715 ppm2 3.919 volume 0.2764 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 12.459 and attr rmsd > 11.459)) ( attr rmsd < 3.969 and attr rmsd > 3.869) 6 6 0 peak 23910 ppm1 4.715 ppm2 3.919 volume 0.2764 assi ((( attr rmsd < 4.729) and (attr rmsd > 4.629)) and bondedto(attr rmsd < 59.982 and attr rmsd > 58.982)) ( attr rmsd < 1.813 and attr rmsd > 1.713) 6 6 0 peak 13911 ppm1 4.679 ppm2 1.763 volume 0.2016 assi ((( attr rmsd < 4.729) and (attr rmsd > 4.629)) and bondedto(attr rmsd < 12.462 and attr rmsd > 11.462)) ( attr rmsd < 1.813 and attr rmsd > 1.713) 6 6 0 peak 23911 ppm1 4.679 ppm2 1.763 volume 0.2016 assi ((( attr rmsd < 4.722) and (attr rmsd > 4.622)) and bondedto(attr rmsd < 60.010 and attr rmsd > 59.010)) ( attr rmsd < 0.920 and attr rmsd > 0.820) 6 6 0 peak 13912 ppm1 4.672 ppm2 0.870 volume 0.1687 assi ((( attr rmsd < 4.722) and (attr rmsd > 4.622)) and bondedto(attr rmsd < 12.490 and attr rmsd > 11.490)) ( attr rmsd < 0.920 and attr rmsd > 0.820) 6 6 0 peak 23912 ppm1 4.672 ppm2 0.870 volume 0.1687 assi ((( attr rmsd < 4.610) and (attr rmsd > 4.510)) and bondedto(attr rmsd < 59.993 and attr rmsd > 58.993)) ( attr rmsd < 1.531 and attr rmsd > 1.431) 6 6 0 peak 13913 ppm1 4.560 ppm2 1.481 volume 0.1568 assi ((( attr rmsd < 4.610) and (attr rmsd > 4.510)) and bondedto(attr rmsd < 12.473 and attr rmsd > 11.473)) ( attr rmsd < 1.531 and attr rmsd > 1.431) 6 6 0 peak 23913 ppm1 4.560 ppm2 1.481 volume 0.1568 assi ((( attr rmsd < 4.522) and (attr rmsd > 4.422)) and bondedto(attr rmsd < 59.972 and attr rmsd > 58.972)) ( attr rmsd < 5.022 and attr rmsd > 4.922) 6 6 0 peak 13914 ppm1 4.472 ppm2 4.972 volume 0.1552 assi ((( attr rmsd < 4.522) and (attr rmsd > 4.422)) and bondedto(attr rmsd < 12.452 and attr rmsd > 11.452)) ( attr rmsd < 5.022 and attr rmsd > 4.922) 6 6 0 peak 23914 ppm1 4.472 ppm2 4.972 volume 0.1552 assi ((( attr rmsd < 4.503) and (attr rmsd > 4.403)) and bondedto(attr rmsd < 60.035 and attr rmsd > 59.035)) ( attr rmsd < 4.830 and attr rmsd > 4.730) 6 6 0 peak 13915 ppm1 4.453 ppm2 4.780 volume 0.3415 assi ((( attr rmsd < 4.503) and (attr rmsd > 4.403)) and bondedto(attr rmsd < 12.515 and attr rmsd > 11.515)) ( attr rmsd < 4.830 and attr rmsd > 4.730) 6 6 0 peak 23915 ppm1 4.453 ppm2 4.780 volume 0.3415 assi ((( attr rmsd < 4.502) and (attr rmsd > 4.402)) and bondedto(attr rmsd < 60.052 and attr rmsd > 59.052)) ( attr rmsd < 4.508 and attr rmsd > 4.408) 6 6 0 peak 13916 ppm1 4.452 ppm2 4.458 volume 6.2703 assi ((( attr rmsd < 4.502) and (attr rmsd > 4.402)) and bondedto(attr rmsd < 12.532 and attr rmsd > 11.532)) ( attr rmsd < 4.508 and attr rmsd > 4.408) 6 6 0 peak 23916 ppm1 4.452 ppm2 4.458 volume 6.2703 assi ((( attr rmsd < 4.495) and (attr rmsd > 4.395)) and bondedto(attr rmsd < 59.996 and attr rmsd > 58.996)) ( attr rmsd < 3.930 and attr rmsd > 3.830) 6 6 0 peak 13917 ppm1 4.445 ppm2 3.880 volume 1.0655 assi ((( attr rmsd < 4.495) and (attr rmsd > 4.395)) and bondedto(attr rmsd < 12.476 and attr rmsd > 11.476)) ( attr rmsd < 3.930 and attr rmsd > 3.830) 6 6 0 peak 23917 ppm1 4.445 ppm2 3.880 volume 1.0655 assi ((( attr rmsd < 4.498) and (attr rmsd > 4.398)) and bondedto(attr rmsd < 60.044 and attr rmsd > 59.044)) ( attr rmsd < 3.793 and attr rmsd > 3.693) 6 6 0 peak 13918 ppm1 4.448 ppm2 3.743 volume 0.7807 assi ((( attr rmsd < 4.498) and (attr rmsd > 4.398)) and bondedto(attr rmsd < 12.524 and attr rmsd > 11.524)) ( attr rmsd < 3.793 and attr rmsd > 3.693) 6 6 0 peak 23918 ppm1 4.448 ppm2 3.743 volume 0.7807 assi ((( attr rmsd < 4.496) and (attr rmsd > 4.396)) and bondedto(attr rmsd < 60.046 and attr rmsd > 59.046)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 13919 ppm1 4.446 ppm2 2.112 volume 0.3656 assi ((( attr rmsd < 4.496) and (attr rmsd > 4.396)) and bondedto(attr rmsd < 12.526 and attr rmsd > 11.526)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 23919 ppm1 4.446 ppm2 2.112 volume 0.3656 assi ((( attr rmsd < 4.497) and (attr rmsd > 4.397)) and bondedto(attr rmsd < 60.028 and attr rmsd > 59.028)) ( attr rmsd < 1.052 and attr rmsd > 0.952) 6 6 0 peak 13920 ppm1 4.447 ppm2 1.002 volume 0.7160 assi ((( attr rmsd < 4.497) and (attr rmsd > 4.397)) and bondedto(attr rmsd < 12.508 and attr rmsd > 11.508)) ( attr rmsd < 1.052 and attr rmsd > 0.952) 6 6 0 peak 23920 ppm1 4.447 ppm2 1.002 volume 0.7160 assi ((( attr rmsd < 4.400) and (attr rmsd > 4.300)) and bondedto(attr rmsd < 60.007 and attr rmsd > 59.007)) ( attr rmsd < 4.401 and attr rmsd > 4.301) 6 6 0 peak 13921 ppm1 4.350 ppm2 4.351 volume 0.7566 assi ((( attr rmsd < 4.400) and (attr rmsd > 4.300)) and bondedto(attr rmsd < 12.487 and attr rmsd > 11.487)) ( attr rmsd < 4.401 and attr rmsd > 4.301) 6 6 0 peak 23921 ppm1 4.350 ppm2 4.351 volume 0.7566 assi ((( attr rmsd < 3.969) and (attr rmsd > 3.869)) and bondedto(attr rmsd < 59.957 and attr rmsd > 58.957)) ( attr rmsd < 3.976 and attr rmsd > 3.876) 6 6 0 peak 13922 ppm1 3.919 ppm2 3.926 volume 4.2452 assi ((( attr rmsd < 3.969) and (attr rmsd > 3.869)) and bondedto(attr rmsd < 12.437 and attr rmsd > 11.437)) ( attr rmsd < 3.976 and attr rmsd > 3.876) 6 6 0 peak 23922 ppm1 3.919 ppm2 3.926 volume 4.2452 assi ((( attr rmsd < 3.972) and (attr rmsd > 3.872)) and bondedto(attr rmsd < 59.928 and attr rmsd > 58.928)) ( attr rmsd < 1.979 and attr rmsd > 1.879) 6 6 0 peak 13923 ppm1 3.922 ppm2 1.929 volume 0.5760 assi ((( attr rmsd < 3.972) and (attr rmsd > 3.872)) and bondedto(attr rmsd < 12.408 and attr rmsd > 11.408)) ( attr rmsd < 1.979 and attr rmsd > 1.879) 6 6 0 peak 23923 ppm1 3.922 ppm2 1.929 volume 0.5760 assi ((( attr rmsd < 3.973) and (attr rmsd > 3.873)) and bondedto(attr rmsd < 59.935 and attr rmsd > 58.935)) ( attr rmsd < 1.791 and attr rmsd > 1.691) 6 6 0 peak 13924 ppm1 3.923 ppm2 1.741 volume 0.6012 assi ((( attr rmsd < 3.973) and (attr rmsd > 3.873)) and bondedto(attr rmsd < 12.415 and attr rmsd > 11.415)) ( attr rmsd < 1.791 and attr rmsd > 1.691) 6 6 0 peak 23924 ppm1 3.923 ppm2 1.741 volume 0.6012 assi ((( attr rmsd < 3.971) and (attr rmsd > 3.871)) and bondedto(attr rmsd < 59.948 and attr rmsd > 58.948)) ( attr rmsd < 0.874 and attr rmsd > 0.774) 6 6 0 peak 13925 ppm1 3.921 ppm2 0.824 volume 0.2841 assi ((( attr rmsd < 3.971) and (attr rmsd > 3.871)) and bondedto(attr rmsd < 12.428 and attr rmsd > 11.428)) ( attr rmsd < 0.874 and attr rmsd > 0.774) 6 6 0 peak 23925 ppm1 3.921 ppm2 0.824 volume 0.2841 assi ((( attr rmsd < 3.967) and (attr rmsd > 3.867)) and bondedto(attr rmsd < 59.927 and attr rmsd > 58.927)) ( attr rmsd < 1.543 and attr rmsd > 1.443) 6 6 0 peak 13926 ppm1 3.917 ppm2 1.493 volume 0.2839 assi ((( attr rmsd < 3.967) and (attr rmsd > 3.867)) and bondedto(attr rmsd < 12.407 and attr rmsd > 11.407)) ( attr rmsd < 1.543 and attr rmsd > 1.443) 6 6 0 peak 23926 ppm1 3.917 ppm2 1.493 volume 0.2839 assi ((( attr rmsd < 1.825) and (attr rmsd > 1.725)) and bondedto(attr rmsd < 59.900 and attr rmsd > 58.900)) ( attr rmsd < 0.374 and attr rmsd > 0.274) 6 6 0 peak 13927 ppm1 1.775 ppm2 0.324 volume 0.1598 assi ((( attr rmsd < 1.825) and (attr rmsd > 1.725)) and bondedto(attr rmsd < 12.380 and attr rmsd > 11.380)) ( attr rmsd < 0.374 and attr rmsd > 0.274) 6 6 0 peak 23927 ppm1 1.775 ppm2 0.324 volume 0.1598 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 60.038 and attr rmsd > 59.038)) ( attr rmsd < 0.912 and attr rmsd > 0.812) 6 6 0 peak 13928 ppm1 0.931 ppm2 0.862 volume 0.2966 assi ((( attr rmsd < 0.981) and (attr rmsd > 0.881)) and bondedto(attr rmsd < 12.518 and attr rmsd > 11.518)) ( attr rmsd < 0.912 and attr rmsd > 0.812) 6 6 0 peak 23928 ppm1 0.931 ppm2 0.862 volume 0.2966 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 60.052 and attr rmsd > 59.052)) ( attr rmsd < 0.720 and attr rmsd > 0.620) 6 6 0 peak 13929 ppm1 0.857 ppm2 0.670 volume 0.2892 assi ((( attr rmsd < 0.907) and (attr rmsd > 0.807)) and bondedto(attr rmsd < 12.532 and attr rmsd > 11.532)) ( attr rmsd < 0.720 and attr rmsd > 0.620) 6 6 0 peak 23929 ppm1 0.857 ppm2 0.670 volume 0.2892 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 36.258 and attr rmsd > 35.258)) ( attr rmsd < 5.032 and attr rmsd > 4.932) 6 6 0 peak 3930 ppm1 4.855 ppm2 4.982 volume 0.2441 assi ((( attr rmsd < 4.728) and (attr rmsd > 4.628)) and bondedto(attr rmsd < 36.295 and attr rmsd > 35.295)) ( attr rmsd < 4.512 and attr rmsd > 4.412) 6 6 0 peak 3931 ppm1 4.678 ppm2 4.462 volume 0.4730 assi ((( attr rmsd < 4.499) and (attr rmsd > 4.399)) and bondedto(attr rmsd < 36.211 and attr rmsd > 35.211)) ( attr rmsd < 4.379 and attr rmsd > 4.279) 6 6 0 peak 3932 ppm1 4.449 ppm2 4.329 volume 0.3066 assi ((( attr rmsd < 3.974) and (attr rmsd > 3.874)) and bondedto(attr rmsd < 36.217 and attr rmsd > 35.217)) ( attr rmsd < 3.864 and attr rmsd > 3.764) 6 6 0 peak 3933 ppm1 3.924 ppm2 3.814 volume 0.2573 assi ((( attr rmsd < 3.884) and (attr rmsd > 3.784)) and bondedto(attr rmsd < 36.136 and attr rmsd > 35.136)) ( attr rmsd < 3.885 and attr rmsd > 3.785) 6 6 0 peak 3934 ppm1 3.834 ppm2 3.835 volume 0.1941 assi ((( attr rmsd < 1.824) and (attr rmsd > 1.724)) and bondedto(attr rmsd < 36.166 and attr rmsd > 35.166)) ( attr rmsd < 4.645 and attr rmsd > 4.545) 6 6 0 peak 3935 ppm1 1.774 ppm2 4.595 volume 0.7638 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 36.158 and attr rmsd > 35.158)) ( attr rmsd < 1.831 and attr rmsd > 1.731) 6 6 0 peak 3936 ppm1 1.777 ppm2 1.781 volume 6.3445 assi ((( attr rmsd < 1.822) and (attr rmsd > 1.722)) and bondedto(attr rmsd < 36.123 and attr rmsd > 35.123)) ( attr rmsd < 1.581 and attr rmsd > 1.481) 6 6 0 peak 3937 ppm1 1.772 ppm2 1.531 volume 0.9461 assi ((( attr rmsd < 1.830) and (attr rmsd > 1.730)) and bondedto(attr rmsd < 36.171 and attr rmsd > 35.171)) ( attr rmsd < 1.439 and attr rmsd > 1.339) 6 6 0 peak 3938 ppm1 1.780 ppm2 1.389 volume 0.6087 assi ((( attr rmsd < 4.871) and (attr rmsd > 4.771)) and bondedto(attr rmsd < 59.815 and attr rmsd > 58.815)) ( attr rmsd < 1.816 and attr rmsd > 1.716) 6 6 0 peak 13939 ppm1 4.821 ppm2 1.766 volume 0.1769 assi ((( attr rmsd < 4.871) and (attr rmsd > 4.771)) and bondedto(attr rmsd < 12.295 and attr rmsd > 11.295)) ( attr rmsd < 1.816 and attr rmsd > 1.716) 6 6 0 peak 23939 ppm1 4.821 ppm2 1.766 volume 0.1769 assi ((( attr rmsd < 4.829) and (attr rmsd > 4.729)) and bondedto(attr rmsd < 59.838 and attr rmsd > 58.838)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 13940 ppm1 4.779 ppm2 1.761 volume 0.1483 assi ((( attr rmsd < 4.829) and (attr rmsd > 4.729)) and bondedto(attr rmsd < 12.318 and attr rmsd > 11.318)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 23940 ppm1 4.779 ppm2 1.761 volume 0.1483 assi ((( attr rmsd < 4.089) and (attr rmsd > 3.989)) and bondedto(attr rmsd < 59.811 and attr rmsd > 58.811)) ( attr rmsd < 2.036 and attr rmsd > 1.936) 6 6 0 peak 13941 ppm1 4.039 ppm2 1.986 volume 0.9181 assi ((( attr rmsd < 4.089) and (attr rmsd > 3.989)) and bondedto(attr rmsd < 12.291 and attr rmsd > 11.291)) ( attr rmsd < 2.036 and attr rmsd > 1.936) 6 6 0 peak 23941 ppm1 4.039 ppm2 1.986 volume 0.9181 assi ((( attr rmsd < 4.086) and (attr rmsd > 3.986)) and bondedto(attr rmsd < 59.818 and attr rmsd > 58.818)) ( attr rmsd < 1.809 and attr rmsd > 1.709) 6 6 0 peak 13942 ppm1 4.036 ppm2 1.759 volume 0.4615 assi ((( attr rmsd < 4.086) and (attr rmsd > 3.986)) and bondedto(attr rmsd < 12.298 and attr rmsd > 11.298)) ( attr rmsd < 1.809 and attr rmsd > 1.709) 6 6 0 peak 23942 ppm1 4.036 ppm2 1.759 volume 0.4615 assi ((( attr rmsd < 4.084) and (attr rmsd > 3.984)) and bondedto(attr rmsd < 59.784 and attr rmsd > 58.784)) ( attr rmsd < 1.625 and attr rmsd > 1.525) 6 6 0 peak 13943 ppm1 4.034 ppm2 1.575 volume 0.2319 assi ((( attr rmsd < 4.084) and (attr rmsd > 3.984)) and bondedto(attr rmsd < 12.264 and attr rmsd > 11.264)) ( attr rmsd < 1.625 and attr rmsd > 1.525) 6 6 0 peak 23943 ppm1 4.034 ppm2 1.575 volume 0.2319 assi ((( attr rmsd < 4.115) and (attr rmsd > 4.015)) and bondedto(attr rmsd < 35.960 and attr rmsd > 34.960)) ( attr rmsd < 1.290 and attr rmsd > 1.190) 6 6 0 peak 3944 ppm1 4.065 ppm2 1.240 volume 0.1563 assi ((( attr rmsd < 1.971) and (attr rmsd > 1.871)) and bondedto(attr rmsd < 36.091 and attr rmsd > 35.091)) ( attr rmsd < 4.732 and attr rmsd > 4.632) 6 6 0 peak 3945 ppm1 1.921 ppm2 4.682 volume 0.1744 assi ((( attr rmsd < 1.973) and (attr rmsd > 1.873)) and bondedto(attr rmsd < 36.015 and attr rmsd > 35.015)) ( attr rmsd < 0.987 and attr rmsd > 0.887) 6 6 0 peak 3946 ppm1 1.923 ppm2 0.937 volume 0.4640 assi ((( attr rmsd < 1.592) and (attr rmsd > 1.492)) and bondedto(attr rmsd < 36.082 and attr rmsd > 35.082)) ( attr rmsd < 4.733 and attr rmsd > 4.633) 6 6 0 peak 3947 ppm1 1.542 ppm2 4.683 volume 0.1904 assi ((( attr rmsd < 1.591) and (attr rmsd > 1.491)) and bondedto(attr rmsd < 36.028 and attr rmsd > 35.028)) ( attr rmsd < 1.972 and attr rmsd > 1.872) 6 6 0 peak 3948 ppm1 1.541 ppm2 1.922 volume 0.4312 assi ((( attr rmsd < 1.589) and (attr rmsd > 1.489)) and bondedto(attr rmsd < 36.027 and attr rmsd > 35.027)) ( attr rmsd < 1.604 and attr rmsd > 1.504) 6 6 0 peak 3949 ppm1 1.539 ppm2 1.554 volume 0.4615 assi ((( attr rmsd < 1.588) and (attr rmsd > 1.488)) and bondedto(attr rmsd < 36.030 and attr rmsd > 35.030)) ( attr rmsd < 0.984 and attr rmsd > 0.884) 6 6 0 peak 3950 ppm1 1.538 ppm2 0.934 volume 0.4405 assi ((( attr rmsd < 1.581) and (attr rmsd > 1.481)) and bondedto(attr rmsd < 36.092 and attr rmsd > 35.092)) ( attr rmsd < 1.805 and attr rmsd > 1.705) 6 6 0 peak 3951 ppm1 1.531 ppm2 1.755 volume 0.2081 assi ((( attr rmsd < 0.713) and (attr rmsd > 0.613)) and bondedto(attr rmsd < 36.014 and attr rmsd > 35.014)) ( attr rmsd < 0.718 and attr rmsd > 0.618) 6 6 0 peak 3952 ppm1 0.663 ppm2 0.668 volume 0.5382 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 59.642 and attr rmsd > 58.642)) ( attr rmsd < 4.897 and attr rmsd > 4.797) 6 6 0 peak 13953 ppm1 4.849 ppm2 4.847 volume 0.2093 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 12.122 and attr rmsd > 11.122)) ( attr rmsd < 4.897 and attr rmsd > 4.797) 6 6 0 peak 23953 ppm1 4.849 ppm2 4.847 volume 0.2093 assi ((( attr rmsd < 4.105) and (attr rmsd > 4.005)) and bondedto(attr rmsd < 59.523 and attr rmsd > 58.523)) ( attr rmsd < 4.271 and attr rmsd > 4.171) 6 6 0 peak 13954 ppm1 4.055 ppm2 4.221 volume 0.1938 assi ((( attr rmsd < 4.105) and (attr rmsd > 4.005)) and bondedto(attr rmsd < 12.003 and attr rmsd > 11.003)) ( attr rmsd < 4.271 and attr rmsd > 4.171) 6 6 0 peak 23954 ppm1 4.055 ppm2 4.221 volume 0.1938 assi ((( attr rmsd < 3.128) and (attr rmsd > 3.028)) and bondedto(attr rmsd < 59.652 and attr rmsd > 58.652)) ( attr rmsd < 3.132 and attr rmsd > 3.032) 6 6 0 peak 13955 ppm1 3.078 ppm2 3.082 volume 0.2080 assi ((( attr rmsd < 3.128) and (attr rmsd > 3.028)) and bondedto(attr rmsd < 12.132 and attr rmsd > 11.132)) ( attr rmsd < 3.132 and attr rmsd > 3.032) 6 6 0 peak 23955 ppm1 3.078 ppm2 3.082 volume 0.2080 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 59.606 and attr rmsd > 58.606)) ( attr rmsd < 3.080 and attr rmsd > 2.980) 6 6 0 peak 13956 ppm1 3.030 ppm2 3.030 volume 0.4324 assi ((( attr rmsd < 3.080) and (attr rmsd > 2.980)) and bondedto(attr rmsd < 12.086 and attr rmsd > 11.086)) ( attr rmsd < 3.080 and attr rmsd > 2.980) 6 6 0 peak 23956 ppm1 3.030 ppm2 3.030 volume 0.4324 assi ((( attr rmsd < 2.265) and (attr rmsd > 2.165)) and bondedto(attr rmsd < 59.517 and attr rmsd > 58.517)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 13957 ppm1 2.215 ppm2 2.112 volume 0.2893 assi ((( attr rmsd < 2.265) and (attr rmsd > 2.165)) and bondedto(attr rmsd < 11.997 and attr rmsd > 10.997)) ( attr rmsd < 2.162 and attr rmsd > 2.062) 6 6 0 peak 23957 ppm1 2.215 ppm2 2.112 volume 0.2893 assi ((( attr rmsd < 2.079) and (attr rmsd > 1.979)) and bondedto(attr rmsd < 59.539 and attr rmsd > 58.539)) ( attr rmsd < 2.084 and attr rmsd > 1.984) 6 6 0 peak 13958 ppm1 2.029 ppm2 2.034 volume 0.2456 assi ((( attr rmsd < 2.079) and (attr rmsd > 1.979)) and bondedto(attr rmsd < 12.019 and attr rmsd > 11.019)) ( attr rmsd < 2.084 and attr rmsd > 1.984) 6 6 0 peak 23958 ppm1 2.029 ppm2 2.034 volume 0.2456 assi ((( attr rmsd < 1.010) and (attr rmsd > 0.910)) and bondedto(attr rmsd < 59.664 and attr rmsd > 58.664)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 13959 ppm1 0.960 ppm2 0.966 volume 0.1722 assi ((( attr rmsd < 1.010) and (attr rmsd > 0.910)) and bondedto(attr rmsd < 12.144 and attr rmsd > 11.144)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 23959 ppm1 0.960 ppm2 0.966 volume 0.1722 assi ((( attr rmsd < 4.568) and (attr rmsd > 4.468)) and bondedto(attr rmsd < 35.791 and attr rmsd > 34.791)) ( attr rmsd < 4.568 and attr rmsd > 4.468) 6 6 0 peak 3960 ppm1 4.518 ppm2 4.518 volume 0.5577 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 59.470 and attr rmsd > 58.470)) ( attr rmsd < 4.115 and attr rmsd > 4.015) 6 6 0 peak 13961 ppm1 4.850 ppm2 4.065 volume 0.5858 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 11.950 and attr rmsd > 10.950)) ( attr rmsd < 4.115 and attr rmsd > 4.015) 6 6 0 peak 23961 ppm1 4.850 ppm2 4.065 volume 0.5858 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 59.440 and attr rmsd > 58.440)) ( attr rmsd < 4.113 and attr rmsd > 4.013) 6 6 0 peak 13962 ppm1 4.713 ppm2 4.063 volume 0.5386 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 11.920 and attr rmsd > 10.920)) ( attr rmsd < 4.113 and attr rmsd > 4.013) 6 6 0 peak 23962 ppm1 4.713 ppm2 4.063 volume 0.5386 assi ((( attr rmsd < 4.113) and (attr rmsd > 4.013)) and bondedto(attr rmsd < 59.310 and attr rmsd > 58.310)) ( attr rmsd < 2.508 and attr rmsd > 2.408) 6 6 0 peak 13963 ppm1 4.063 ppm2 2.458 volume 0.2578 assi ((( attr rmsd < 4.113) and (attr rmsd > 4.013)) and bondedto(attr rmsd < 11.790 and attr rmsd > 10.790)) ( attr rmsd < 2.508 and attr rmsd > 2.408) 6 6 0 peak 23963 ppm1 4.063 ppm2 2.458 volume 0.2578 assi ((( attr rmsd < 4.107) and (attr rmsd > 4.007)) and bondedto(attr rmsd < 59.436 and attr rmsd > 58.436)) ( attr rmsd < 4.110 and attr rmsd > 4.010) 6 6 0 peak 13964 ppm1 4.057 ppm2 4.060 volume 7.3252 assi ((( attr rmsd < 4.107) and (attr rmsd > 4.007)) and bondedto(attr rmsd < 11.916 and attr rmsd > 10.916)) ( attr rmsd < 4.110 and attr rmsd > 4.010) 6 6 0 peak 23964 ppm1 4.057 ppm2 4.060 volume 7.3252 assi ((( attr rmsd < 2.472) and (attr rmsd > 2.372)) and bondedto(attr rmsd < 59.474 and attr rmsd > 58.474)) ( attr rmsd < 2.471 and attr rmsd > 2.371) 6 6 0 peak 13965 ppm1 2.422 ppm2 2.421 volume 0.3673 assi ((( attr rmsd < 2.472) and (attr rmsd > 2.372)) and bondedto(attr rmsd < 11.954 and attr rmsd > 10.954)) ( attr rmsd < 2.471 and attr rmsd > 2.371) 6 6 0 peak 23965 ppm1 2.422 ppm2 2.421 volume 0.3673 assi ((( attr rmsd < 2.466) and (attr rmsd > 2.366)) and bondedto(attr rmsd < 59.417 and attr rmsd > 58.417)) ( attr rmsd < 2.359 and attr rmsd > 2.259) 6 6 0 peak 13966 ppm1 2.416 ppm2 2.309 volume 0.3631 assi ((( attr rmsd < 2.466) and (attr rmsd > 2.366)) and bondedto(attr rmsd < 11.897 and attr rmsd > 10.897)) ( attr rmsd < 2.359 and attr rmsd > 2.259) 6 6 0 peak 23966 ppm1 2.416 ppm2 2.309 volume 0.3631 assi ((( attr rmsd < 2.358) and (attr rmsd > 2.258)) and bondedto(attr rmsd < 59.455 and attr rmsd > 58.455)) ( attr rmsd < 2.466 and attr rmsd > 2.366) 6 6 0 peak 13967 ppm1 2.308 ppm2 2.416 volume 0.3775 assi ((( attr rmsd < 2.358) and (attr rmsd > 2.258)) and bondedto(attr rmsd < 11.935 and attr rmsd > 10.935)) ( attr rmsd < 2.466 and attr rmsd > 2.366) 6 6 0 peak 23967 ppm1 2.308 ppm2 2.416 volume 0.3775 assi ((( attr rmsd < 2.293) and (attr rmsd > 2.193)) and bondedto(attr rmsd < 59.358 and attr rmsd > 58.358)) ( attr rmsd < 2.302 and attr rmsd > 2.202) 6 6 0 peak 13968 ppm1 2.243 ppm2 2.252 volume 1.2815 assi ((( attr rmsd < 2.293) and (attr rmsd > 2.193)) and bondedto(attr rmsd < 11.838 and attr rmsd > 10.838)) ( attr rmsd < 2.302 and attr rmsd > 2.202) 6 6 0 peak 23968 ppm1 2.243 ppm2 2.252 volume 1.2815 assi ((( attr rmsd < 2.152) and (attr rmsd > 2.052)) and bondedto(attr rmsd < 59.478 and attr rmsd > 58.478)) ( attr rmsd < 2.272 and attr rmsd > 2.172) 6 6 0 peak 13969 ppm1 2.102 ppm2 2.222 volume 0.4346 assi ((( attr rmsd < 2.152) and (attr rmsd > 2.052)) and bondedto(attr rmsd < 11.958 and attr rmsd > 10.958)) ( attr rmsd < 2.272 and attr rmsd > 2.172) 6 6 0 peak 23969 ppm1 2.102 ppm2 2.222 volume 0.4346 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 59.470 and attr rmsd > 58.470)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 13970 ppm1 2.093 ppm2 2.108 volume 0.4541 assi ((( attr rmsd < 2.143) and (attr rmsd > 2.043)) and bondedto(attr rmsd < 11.950 and attr rmsd > 10.950)) ( attr rmsd < 2.158 and attr rmsd > 2.058) 6 6 0 peak 23970 ppm1 2.093 ppm2 2.108 volume 0.4541 assi ((( attr rmsd < 4.104) and (attr rmsd > 4.004)) and bondedto(attr rmsd < 35.624 and attr rmsd > 34.624)) ( attr rmsd < 3.986 and attr rmsd > 3.886) 6 6 0 peak 3971 ppm1 4.054 ppm2 3.936 volume 0.4264 assi ((( attr rmsd < 3.864) and (attr rmsd > 3.764)) and bondedto(attr rmsd < 35.707 and attr rmsd > 34.707)) ( attr rmsd < 3.872 and attr rmsd > 3.772) 6 6 0 peak 3972 ppm1 3.814 ppm2 3.822 volume 0.1968 assi ((( attr rmsd < 3.177) and (attr rmsd > 3.077)) and bondedto(attr rmsd < 35.656 and attr rmsd > 34.656)) ( attr rmsd < 3.171 and attr rmsd > 3.071) 6 6 0 peak 3973 ppm1 3.127 ppm2 3.121 volume 0.1715 assi ((( attr rmsd < 1.936) and (attr rmsd > 1.836)) and bondedto(attr rmsd < 35.704 and attr rmsd > 34.704)) ( attr rmsd < 1.598 and attr rmsd > 1.498) 6 6 0 peak 3974 ppm1 1.886 ppm2 1.548 volume 0.5703 assi ((( attr rmsd < 1.925) and (attr rmsd > 1.825)) and bondedto(attr rmsd < 35.557 and attr rmsd > 34.557)) ( attr rmsd < 1.928 and attr rmsd > 1.828) 6 6 0 peak 3975 ppm1 1.875 ppm2 1.878 volume 1.0444 assi ((( attr rmsd < 6.485) and (attr rmsd > 6.385)) and bondedto(attr rmsd < 59.164 and attr rmsd > 58.164)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13976 ppm1 6.435 ppm2 4.776 volume 0.1533 assi ((( attr rmsd < 6.485) and (attr rmsd > 6.385)) and bondedto(attr rmsd < 11.644 and attr rmsd > 10.644)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23976 ppm1 6.435 ppm2 4.776 volume 0.1533 assi ((( attr rmsd < 5.581) and (attr rmsd > 5.481)) and bondedto(attr rmsd < 59.192 and attr rmsd > 58.192)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13977 ppm1 5.531 ppm2 4.774 volume 0.1478 assi ((( attr rmsd < 5.581) and (attr rmsd > 5.481)) and bondedto(attr rmsd < 11.672 and attr rmsd > 10.672)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23977 ppm1 5.531 ppm2 4.774 volume 0.1478 assi ((( attr rmsd < 5.517) and (attr rmsd > 5.417)) and bondedto(attr rmsd < 59.144 and attr rmsd > 58.144)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13978 ppm1 5.467 ppm2 4.775 volume 0.1466 assi ((( attr rmsd < 5.517) and (attr rmsd > 5.417)) and bondedto(attr rmsd < 11.624 and attr rmsd > 10.624)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23978 ppm1 5.467 ppm2 4.775 volume 0.1466 assi ((( attr rmsd < 5.448) and (attr rmsd > 5.348)) and bondedto(attr rmsd < 59.174 and attr rmsd > 58.174)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 13979 ppm1 5.398 ppm2 4.776 volume 0.1653 assi ((( attr rmsd < 5.448) and (attr rmsd > 5.348)) and bondedto(attr rmsd < 11.654 and attr rmsd > 10.654)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 23979 ppm1 5.398 ppm2 4.776 volume 0.1653 assi ((( attr rmsd < 4.352) and (attr rmsd > 4.252)) and bondedto(attr rmsd < 59.244 and attr rmsd > 58.244)) ( attr rmsd < 4.350 and attr rmsd > 4.250) 6 6 0 peak 13980 ppm1 4.302 ppm2 4.300 volume 0.5404 assi ((( attr rmsd < 4.352) and (attr rmsd > 4.252)) and bondedto(attr rmsd < 11.724 and attr rmsd > 10.724)) ( attr rmsd < 4.350 and attr rmsd > 4.250) 6 6 0 peak 23980 ppm1 4.302 ppm2 4.300 volume 0.5404 assi ((( attr rmsd < 4.111) and (attr rmsd > 4.011)) and bondedto(attr rmsd < 59.305 and attr rmsd > 58.305)) ( attr rmsd < 2.312 and attr rmsd > 2.212) 6 6 0 peak 13981 ppm1 4.061 ppm2 2.262 volume 0.3521 assi ((( attr rmsd < 4.111) and (attr rmsd > 4.011)) and bondedto(attr rmsd < 11.785 and attr rmsd > 10.785)) ( attr rmsd < 2.312 and attr rmsd > 2.212) 6 6 0 peak 23981 ppm1 4.061 ppm2 2.262 volume 0.3521 assi ((( attr rmsd < 4.112) and (attr rmsd > 4.012)) and bondedto(attr rmsd < 59.292 and attr rmsd > 58.292)) ( attr rmsd < 2.189 and attr rmsd > 2.089) 6 6 0 peak 13982 ppm1 4.062 ppm2 2.139 volume 0.6559 assi ((( attr rmsd < 4.112) and (attr rmsd > 4.012)) and bondedto(attr rmsd < 11.772 and attr rmsd > 10.772)) ( attr rmsd < 2.189 and attr rmsd > 2.089) 6 6 0 peak 23982 ppm1 4.062 ppm2 2.139 volume 0.6559 assi ((( attr rmsd < 0.983) and (attr rmsd > 0.883)) and bondedto(attr rmsd < 59.245 and attr rmsd > 58.245)) ( attr rmsd < 0.927 and attr rmsd > 0.827) 6 6 0 peak 13983 ppm1 0.933 ppm2 0.877 volume 0.1477 assi ((( attr rmsd < 0.983) and (attr rmsd > 0.883)) and bondedto(attr rmsd < 11.725 and attr rmsd > 10.725)) ( attr rmsd < 0.927 and attr rmsd > 0.827) 6 6 0 peak 23983 ppm1 0.933 ppm2 0.877 volume 0.1477 assi ((( attr rmsd < 0.904) and (attr rmsd > 0.804)) and bondedto(attr rmsd < 59.203 and attr rmsd > 58.203)) ( attr rmsd < 0.809 and attr rmsd > 0.709) 6 6 0 peak 13984 ppm1 0.854 ppm2 0.759 volume 0.2283 assi ((( attr rmsd < 0.904) and (attr rmsd > 0.804)) and bondedto(attr rmsd < 11.683 and attr rmsd > 10.683)) ( attr rmsd < 0.809 and attr rmsd > 0.709) 6 6 0 peak 23984 ppm1 0.854 ppm2 0.759 volume 0.2283 assi ((( attr rmsd < 2.541) and (attr rmsd > 2.441)) and bondedto(attr rmsd < 35.500 and attr rmsd > 34.500)) ( attr rmsd < 2.546 and attr rmsd > 2.446) 6 6 0 peak 3985 ppm1 2.491 ppm2 2.496 volume 1.5925 assi ((( attr rmsd < 2.533) and (attr rmsd > 2.433)) and bondedto(attr rmsd < 35.533 and attr rmsd > 34.533)) ( attr rmsd < 4.408 and attr rmsd > 4.308) 6 6 0 peak 3986 ppm1 2.483 ppm2 4.358 volume 0.3515 assi ((( attr rmsd < 2.537) and (attr rmsd > 2.437)) and bondedto(attr rmsd < 35.511 and attr rmsd > 34.511)) ( attr rmsd < 2.362 and attr rmsd > 2.262) 6 6 0 peak 3987 ppm1 2.487 ppm2 2.312 volume 1.9660 assi ((( attr rmsd < 2.362) and (attr rmsd > 2.262)) and bondedto(attr rmsd < 35.535 and attr rmsd > 34.535)) ( attr rmsd < 4.408 and attr rmsd > 4.308) 6 6 0 peak 3988 ppm1 2.312 ppm2 4.358 volume 0.3210 assi ((( attr rmsd < 2.365) and (attr rmsd > 2.265)) and bondedto(attr rmsd < 35.501 and attr rmsd > 34.501)) ( attr rmsd < 2.547 and attr rmsd > 2.447) 6 6 0 peak 3989 ppm1 2.315 ppm2 2.497 volume 1.2666 assi ((( attr rmsd < 2.365) and (attr rmsd > 2.265)) and bondedto(attr rmsd < 35.514 and attr rmsd > 34.514)) ( attr rmsd < 2.370 and attr rmsd > 2.270) 6 6 0 peak 3990 ppm1 2.315 ppm2 2.320 volume 1.6005 assi ((( attr rmsd < 1.923) and (attr rmsd > 1.823)) and bondedto(attr rmsd < 35.544 and attr rmsd > 34.544)) ( attr rmsd < 5.677 and attr rmsd > 5.577) 6 6 0 peak 3991 ppm1 1.873 ppm2 5.627 volume 0.2504 assi ((( attr rmsd < 1.926) and (attr rmsd > 1.826)) and bondedto(attr rmsd < 35.542 and attr rmsd > 34.542)) ( attr rmsd < 1.785 and attr rmsd > 1.685) 6 6 0 peak 3992 ppm1 1.876 ppm2 1.735 volume 0.9966 assi ((( attr rmsd < 1.788) and (attr rmsd > 1.688)) and bondedto(attr rmsd < 35.511 and attr rmsd > 34.511)) ( attr rmsd < 5.682 and attr rmsd > 5.582) 6 6 0 peak 3993 ppm1 1.738 ppm2 5.632 volume 0.2301 assi ((( attr rmsd < 1.783) and (attr rmsd > 1.683)) and bondedto(attr rmsd < 35.489 and attr rmsd > 34.489)) ( attr rmsd < 1.921 and attr rmsd > 1.821) 6 6 0 peak 3994 ppm1 1.733 ppm2 1.871 volume 0.9724 assi ((( attr rmsd < 0.911) and (attr rmsd > 0.811)) and bondedto(attr rmsd < 35.475 and attr rmsd > 34.475)) ( attr rmsd < 0.920 and attr rmsd > 0.820) 6 6 0 peak 3995 ppm1 0.861 ppm2 0.870 volume 1.6978 assi ((( attr rmsd < 6.096) and (attr rmsd > 5.996)) and bondedto(attr rmsd < 58.986 and attr rmsd > 57.986)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 13996 ppm1 6.046 ppm2 4.774 volume 0.1455 assi ((( attr rmsd < 6.096) and (attr rmsd > 5.996)) and bondedto(attr rmsd < 11.466 and attr rmsd > 10.466)) ( attr rmsd < 4.824 and attr rmsd > 4.724) 6 6 0 peak 23996 ppm1 6.046 ppm2 4.774 volume 0.1455 assi ((( attr rmsd < 5.755) and (attr rmsd > 5.655)) and bondedto(attr rmsd < 59.028 and attr rmsd > 58.028)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13997 ppm1 5.705 ppm2 4.775 volume 0.1462 assi ((( attr rmsd < 5.755) and (attr rmsd > 5.655)) and bondedto(attr rmsd < 11.508 and attr rmsd > 10.508)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23997 ppm1 5.705 ppm2 4.775 volume 0.1462 assi ((( attr rmsd < 5.686) and (attr rmsd > 5.586)) and bondedto(attr rmsd < 59.118 and attr rmsd > 58.118)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 13998 ppm1 5.636 ppm2 4.775 volume 0.1617 assi ((( attr rmsd < 5.686) and (attr rmsd > 5.586)) and bondedto(attr rmsd < 11.598 and attr rmsd > 10.598)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 23998 ppm1 5.636 ppm2 4.775 volume 0.1617 assi ((( attr rmsd < 5.097) and (attr rmsd > 4.997)) and bondedto(attr rmsd < 58.946 and attr rmsd > 57.946)) ( attr rmsd < 4.233 and attr rmsd > 4.133) 6 6 0 peak 13999 ppm1 5.047 ppm2 4.183 volume 0.2407 assi ((( attr rmsd < 5.097) and (attr rmsd > 4.997)) and bondedto(attr rmsd < 11.426 and attr rmsd > 10.426)) ( attr rmsd < 4.233 and attr rmsd > 4.133) 6 6 0 peak 23999 ppm1 5.047 ppm2 4.183 volume 0.2407 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 59.121 and attr rmsd > 58.121)) ( attr rmsd < 2.043 and attr rmsd > 1.943) 6 6 0 peak 14000 ppm1 4.713 ppm2 1.993 volume 0.1444 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 11.601 and attr rmsd > 10.601)) ( attr rmsd < 2.043 and attr rmsd > 1.943) 6 6 0 peak 24000 ppm1 4.713 ppm2 1.993 volume 0.1444 assi ((( attr rmsd < 4.747) and (attr rmsd > 4.647)) and bondedto(attr rmsd < 58.961 and attr rmsd > 57.961)) ( attr rmsd < 4.758 and attr rmsd > 4.658) 6 6 0 peak 14001 ppm1 4.697 ppm2 4.708 volume 0.3801 assi ((( attr rmsd < 4.747) and (attr rmsd > 4.647)) and bondedto(attr rmsd < 11.441 and attr rmsd > 10.441)) ( attr rmsd < 4.758 and attr rmsd > 4.658) 6 6 0 peak 24001 ppm1 4.697 ppm2 4.708 volume 0.3801 assi ((( attr rmsd < 4.253) and (attr rmsd > 4.153)) and bondedto(attr rmsd < 59.041 and attr rmsd > 58.041)) ( attr rmsd < 1.576 and attr rmsd > 1.476) 6 6 0 peak 14002 ppm1 4.203 ppm2 1.526 volume 0.3378 assi ((( attr rmsd < 4.253) and (attr rmsd > 4.153)) and bondedto(attr rmsd < 11.521 and attr rmsd > 10.521)) ( attr rmsd < 1.576 and attr rmsd > 1.476) 6 6 0 peak 24002 ppm1 4.203 ppm2 1.526 volume 0.3378 assi ((( attr rmsd < 4.242) and (attr rmsd > 4.142)) and bondedto(attr rmsd < 58.966 and attr rmsd > 57.966)) ( attr rmsd < 2.041 and attr rmsd > 1.941) 6 6 0 peak 14003 ppm1 4.192 ppm2 1.991 volume 1.0884 assi ((( attr rmsd < 4.242) and (attr rmsd > 4.142)) and bondedto(attr rmsd < 11.446 and attr rmsd > 10.446)) ( attr rmsd < 2.041 and attr rmsd > 1.941) 6 6 0 peak 24003 ppm1 4.192 ppm2 1.991 volume 1.0884 assi ((( attr rmsd < 5.042) and (attr rmsd > 4.942)) and bondedto(attr rmsd < 35.207 and attr rmsd > 34.207)) ( attr rmsd < 5.025 and attr rmsd > 4.925) 6 6 0 peak 4004 ppm1 4.992 ppm2 4.975 volume 0.1498 assi ((( attr rmsd < 4.950) and (attr rmsd > 4.850)) and bondedto(attr rmsd < 35.193 and attr rmsd > 34.193)) ( attr rmsd < 4.936 and attr rmsd > 4.836) 6 6 0 peak 4005 ppm1 4.900 ppm2 4.886 volume 0.2273 assi ((( attr rmsd < 4.907) and (attr rmsd > 4.807)) and bondedto(attr rmsd < 35.359 and attr rmsd > 34.359)) ( attr rmsd < 4.772 and attr rmsd > 4.672) 6 6 0 peak 4006 ppm1 4.857 ppm2 4.722 volume 0.2524 assi ((( attr rmsd < 3.957) and (attr rmsd > 3.857)) and bondedto(attr rmsd < 35.222 and attr rmsd > 34.222)) ( attr rmsd < 3.867 and attr rmsd > 3.767) 6 6 0 peak 4007 ppm1 3.907 ppm2 3.817 volume 0.4596 assi ((( attr rmsd < 3.730) and (attr rmsd > 3.630)) and bondedto(attr rmsd < 35.282 and attr rmsd > 34.282)) ( attr rmsd < 3.642 and attr rmsd > 3.542) 6 6 0 peak 4008 ppm1 3.680 ppm2 3.592 volume 0.3714 assi ((( attr rmsd < 2.169) and (attr rmsd > 2.069)) and bondedto(attr rmsd < 35.295 and attr rmsd > 34.295)) ( attr rmsd < 2.169 and attr rmsd > 2.069) 6 6 0 peak 4009 ppm1 2.119 ppm2 2.119 volume 0.2385 assi ((( attr rmsd < 2.056) and (attr rmsd > 1.956)) and bondedto(attr rmsd < 35.184 and attr rmsd > 34.184)) ( attr rmsd < 0.990 and attr rmsd > 0.890) 6 6 0 peak 4010 ppm1 2.006 ppm2 0.940 volume 0.1485 assi ((( attr rmsd < 1.593) and (attr rmsd > 1.493)) and bondedto(attr rmsd < 35.191 and attr rmsd > 34.191)) ( attr rmsd < 5.126 and attr rmsd > 5.026) 6 6 0 peak 4011 ppm1 1.543 ppm2 5.076 volume 0.1546 assi ((( attr rmsd < 0.776) and (attr rmsd > 0.676)) and bondedto(attr rmsd < 35.229 and attr rmsd > 34.229)) ( attr rmsd < 0.781 and attr rmsd > 0.681) 6 6 0 peak 4012 ppm1 0.726 ppm2 0.731 volume 0.2082 assi ((( attr rmsd < 5.152) and (attr rmsd > 5.052)) and bondedto(attr rmsd < 58.882 and attr rmsd > 57.882)) ( attr rmsd < 4.220 and attr rmsd > 4.120) 6 6 0 peak 14013 ppm1 5.102 ppm2 4.170 volume 0.1828 assi ((( attr rmsd < 5.152) and (attr rmsd > 5.052)) and bondedto(attr rmsd < 11.362 and attr rmsd > 10.362)) ( attr rmsd < 4.220 and attr rmsd > 4.120) 6 6 0 peak 24013 ppm1 5.102 ppm2 4.170 volume 0.1828 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 58.900 and attr rmsd > 57.900)) ( attr rmsd < 4.908 and attr rmsd > 4.808) 6 6 0 peak 14014 ppm1 4.856 ppm2 4.858 volume 0.2339 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 11.380 and attr rmsd > 10.380)) ( attr rmsd < 4.908 and attr rmsd > 4.808) 6 6 0 peak 24014 ppm1 4.856 ppm2 4.858 volume 0.2339 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 58.793 and attr rmsd > 57.793)) ( attr rmsd < 4.213 and attr rmsd > 4.113) 6 6 0 peak 14015 ppm1 4.850 ppm2 4.163 volume 1.1067 assi ((( attr rmsd < 4.900) and (attr rmsd > 4.800)) and bondedto(attr rmsd < 11.273 and attr rmsd > 10.273)) ( attr rmsd < 4.213 and attr rmsd > 4.113) 6 6 0 peak 24015 ppm1 4.850 ppm2 4.163 volume 1.1067 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 58.891 and attr rmsd > 57.891)) ( attr rmsd < 2.063 and attr rmsd > 1.963) 6 6 0 peak 14016 ppm1 4.852 ppm2 2.013 volume 0.1609 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 11.371 and attr rmsd > 10.371)) ( attr rmsd < 2.063 and attr rmsd > 1.963) 6 6 0 peak 24016 ppm1 4.852 ppm2 2.013 volume 0.1609 assi ((( attr rmsd < 4.830) and (attr rmsd > 4.730)) and bondedto(attr rmsd < 58.791 and attr rmsd > 57.791)) ( attr rmsd < 4.206 and attr rmsd > 4.106) 6 6 0 peak 14017 ppm1 4.780 ppm2 4.156 volume 0.5565 assi ((( attr rmsd < 4.830) and (attr rmsd > 4.730)) and bondedto(attr rmsd < 11.271 and attr rmsd > 10.271)) ( attr rmsd < 4.206 and attr rmsd > 4.106) 6 6 0 peak 24017 ppm1 4.780 ppm2 4.156 volume 0.5565 assi ((( attr rmsd < 4.764) and (attr rmsd > 4.664)) and bondedto(attr rmsd < 58.792 and attr rmsd > 57.792)) ( attr rmsd < 4.213 and attr rmsd > 4.113) 6 6 0 peak 14018 ppm1 4.714 ppm2 4.163 volume 0.8250 assi ((( attr rmsd < 4.764) and (attr rmsd > 4.664)) and bondedto(attr rmsd < 11.272 and attr rmsd > 10.272)) ( attr rmsd < 4.213 and attr rmsd > 4.113) 6 6 0 peak 24018 ppm1 4.714 ppm2 4.163 volume 0.8250 assi ((( attr rmsd < 4.194) and (attr rmsd > 4.094)) and bondedto(attr rmsd < 58.779 and attr rmsd > 57.779)) ( attr rmsd < 4.199 and attr rmsd > 4.099) 6 6 0 peak 14019 ppm1 4.144 ppm2 4.149 volume 11.9967 assi ((( attr rmsd < 4.194) and (attr rmsd > 4.094)) and bondedto(attr rmsd < 11.259 and attr rmsd > 10.259)) ( attr rmsd < 4.199 and attr rmsd > 4.099) 6 6 0 peak 24019 ppm1 4.144 ppm2 4.149 volume 11.9967 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 58.821 and attr rmsd > 57.821)) ( attr rmsd < 1.836 and attr rmsd > 1.736) 6 6 0 peak 14020 ppm1 4.142 ppm2 1.786 volume 1.0077 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 11.301 and attr rmsd > 10.301)) ( attr rmsd < 1.836 and attr rmsd > 1.736) 6 6 0 peak 24020 ppm1 4.142 ppm2 1.786 volume 1.0077 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 58.835 and attr rmsd > 57.835)) ( attr rmsd < 1.539 and attr rmsd > 1.439) 6 6 0 peak 14021 ppm1 4.142 ppm2 1.489 volume 0.4621 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 11.315 and attr rmsd > 10.315)) ( attr rmsd < 1.539 and attr rmsd > 1.439) 6 6 0 peak 24021 ppm1 4.142 ppm2 1.489 volume 0.4621 assi ((( attr rmsd < 3.948) and (attr rmsd > 3.848)) and bondedto(attr rmsd < 58.913 and attr rmsd > 57.913)) ( attr rmsd < 3.951 and attr rmsd > 3.851) 6 6 0 peak 14022 ppm1 3.898 ppm2 3.901 volume 3.6841 assi ((( attr rmsd < 3.948) and (attr rmsd > 3.848)) and bondedto(attr rmsd < 11.393 and attr rmsd > 10.393)) ( attr rmsd < 3.951 and attr rmsd > 3.851) 6 6 0 peak 24022 ppm1 3.898 ppm2 3.901 volume 3.6841 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 58.796 and attr rmsd > 57.796)) ( attr rmsd < 3.089 and attr rmsd > 2.989) 6 6 0 peak 14023 ppm1 3.029 ppm2 3.039 volume 0.2634 assi ((( attr rmsd < 3.079) and (attr rmsd > 2.979)) and bondedto(attr rmsd < 11.276 and attr rmsd > 10.276)) ( attr rmsd < 3.089 and attr rmsd > 2.989) 6 6 0 peak 24023 ppm1 3.029 ppm2 3.039 volume 0.2634 assi ((( attr rmsd < 1.747) and (attr rmsd > 1.647)) and bondedto(attr rmsd < 58.806 and attr rmsd > 57.806)) ( attr rmsd < 0.301 and attr rmsd > 0.201) 6 6 0 peak 14024 ppm1 1.697 ppm2 0.251 volume 0.1753 assi ((( attr rmsd < 1.747) and (attr rmsd > 1.647)) and bondedto(attr rmsd < 11.286 and attr rmsd > 10.286)) ( attr rmsd < 0.301 and attr rmsd > 0.201) 6 6 0 peak 24024 ppm1 1.697 ppm2 0.251 volume 0.1753 assi ((( attr rmsd < 1.755) and (attr rmsd > 1.655)) and bondedto(attr rmsd < 58.817 and attr rmsd > 57.817)) ( attr rmsd < 0.139 and attr rmsd > 0.039) 6 6 0 peak 14025 ppm1 1.705 ppm2 0.089 volume 0.2131 assi ((( attr rmsd < 1.755) and (attr rmsd > 1.655)) and bondedto(attr rmsd < 11.297 and attr rmsd > 10.297)) ( attr rmsd < 0.139 and attr rmsd > 0.039) 6 6 0 peak 24025 ppm1 1.705 ppm2 0.089 volume 0.2131 assi ((( attr rmsd < 1.753) and (attr rmsd > 1.653)) and bondedto(attr rmsd < 58.825 and attr rmsd > 57.825)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 14026 ppm1 1.703 ppm2 -0.011 volume 0.2689 assi ((( attr rmsd < 1.753) and (attr rmsd > 1.653)) and bondedto(attr rmsd < 11.305 and attr rmsd > 10.305)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 24026 ppm1 1.703 ppm2 -0.011 volume 0.2689 assi ((( attr rmsd < 0.834) and (attr rmsd > 0.734)) and bondedto(attr rmsd < 58.811 and attr rmsd > 57.811)) ( attr rmsd < 0.832 and attr rmsd > 0.732) 6 6 0 peak 14027 ppm1 0.784 ppm2 0.782 volume 0.1796 assi ((( attr rmsd < 0.834) and (attr rmsd > 0.734)) and bondedto(attr rmsd < 11.291 and attr rmsd > 10.291)) ( attr rmsd < 0.832 and attr rmsd > 0.732) 6 6 0 peak 24027 ppm1 0.784 ppm2 0.782 volume 0.1796 assi ((( attr rmsd < 4.705) and (attr rmsd > 4.605)) and bondedto(attr rmsd < 35.029 and attr rmsd > 34.029)) ( attr rmsd < 4.758 and attr rmsd > 4.658) 6 6 0 peak 4028 ppm1 4.655 ppm2 4.708 volume 0.4495 assi ((( attr rmsd < 4.197) and (attr rmsd > 4.097)) and bondedto(attr rmsd < 35.042 and attr rmsd > 34.042)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 4029 ppm1 4.147 ppm2 -0.011 volume 0.2779 assi ((( attr rmsd < 4.003) and (attr rmsd > 3.903)) and bondedto(attr rmsd < 35.169 and attr rmsd > 34.169)) ( attr rmsd < 3.966 and attr rmsd > 3.866) 6 6 0 peak 4030 ppm1 3.953 ppm2 3.916 volume 0.1660 assi ((( attr rmsd < 3.976) and (attr rmsd > 3.876)) and bondedto(attr rmsd < 35.064 and attr rmsd > 34.064)) ( attr rmsd < 4.202 and attr rmsd > 4.102) 6 6 0 peak 4031 ppm1 3.926 ppm2 4.152 volume 0.1572 assi ((( attr rmsd < 3.952) and (attr rmsd > 3.852)) and bondedto(attr rmsd < 35.156 and attr rmsd > 34.156)) ( attr rmsd < 4.051 and attr rmsd > 3.951) 6 6 0 peak 4032 ppm1 3.902 ppm2 4.001 volume 0.2751 assi ((( attr rmsd < 1.837) and (attr rmsd > 1.737)) and bondedto(attr rmsd < 35.061 and attr rmsd > 34.061)) ( attr rmsd < 5.067 and attr rmsd > 4.967) 6 6 0 peak 4033 ppm1 1.787 ppm2 5.017 volume 0.2783 assi ((( attr rmsd < 1.839) and (attr rmsd > 1.739)) and bondedto(attr rmsd < 35.158 and attr rmsd > 34.158)) ( attr rmsd < 1.728 and attr rmsd > 1.628) 6 6 0 peak 4034 ppm1 1.789 ppm2 1.678 volume 1.7792 assi ((( attr rmsd < 1.840) and (attr rmsd > 1.740)) and bondedto(attr rmsd < 35.150 and attr rmsd > 34.150)) ( attr rmsd < 1.422 and attr rmsd > 1.322) 6 6 0 peak 4035 ppm1 1.790 ppm2 1.372 volume 0.5900 assi ((( attr rmsd < 1.768) and (attr rmsd > 1.668)) and bondedto(attr rmsd < 35.098 and attr rmsd > 34.098)) ( attr rmsd < 4.739 and attr rmsd > 4.639) 6 6 0 peak 4036 ppm1 1.718 ppm2 4.689 volume 0.2442 assi ((( attr rmsd < 1.766) and (attr rmsd > 1.666)) and bondedto(attr rmsd < 35.059 and attr rmsd > 34.059)) ( attr rmsd < 1.771 and attr rmsd > 1.671) 6 6 0 peak 4037 ppm1 1.716 ppm2 1.721 volume 3.4543 assi ((( attr rmsd < 1.771) and (attr rmsd > 1.671)) and bondedto(attr rmsd < 35.077 and attr rmsd > 34.077)) ( attr rmsd < 0.779 and attr rmsd > 0.679) 6 6 0 peak 4038 ppm1 1.721 ppm2 0.729 volume 1.4132 assi ((( attr rmsd < 1.723) and (attr rmsd > 1.623)) and bondedto(attr rmsd < 35.134 and attr rmsd > 34.134)) ( attr rmsd < 1.422 and attr rmsd > 1.322) 6 6 0 peak 4039 ppm1 1.673 ppm2 1.372 volume 0.6213 assi ((( attr rmsd < 1.592) and (attr rmsd > 1.492)) and bondedto(attr rmsd < 35.146 and attr rmsd > 34.146)) ( attr rmsd < 1.498 and attr rmsd > 1.398) 6 6 0 peak 4040 ppm1 1.542 ppm2 1.448 volume 0.6173 assi ((( attr rmsd < 1.592) and (attr rmsd > 1.492)) and bondedto(attr rmsd < 35.167 and attr rmsd > 34.167)) ( attr rmsd < 0.724 and attr rmsd > 0.624) 6 6 0 peak 4041 ppm1 1.542 ppm2 0.674 volume 0.1703 assi ((( attr rmsd < 1.478) and (attr rmsd > 1.378)) and bondedto(attr rmsd < 35.155 and attr rmsd > 34.155)) ( attr rmsd < 1.498 and attr rmsd > 1.398) 6 6 0 peak 4042 ppm1 1.428 ppm2 1.448 volume 0.6625 assi ((( attr rmsd < 1.488) and (attr rmsd > 1.388)) and bondedto(attr rmsd < 35.151 and attr rmsd > 34.151)) ( attr rmsd < 0.728 and attr rmsd > 0.628) 6 6 0 peak 4043 ppm1 1.438 ppm2 0.678 volume 0.1982 assi ((( attr rmsd < 1.469) and (attr rmsd > 1.369)) and bondedto(attr rmsd < 35.130 and attr rmsd > 34.130)) ( attr rmsd < 5.125 and attr rmsd > 5.025) 6 6 0 peak 4044 ppm1 1.419 ppm2 5.075 volume 0.1554 assi ((( attr rmsd < 1.420) and (attr rmsd > 1.320)) and bondedto(attr rmsd < 35.135 and attr rmsd > 34.135)) ( attr rmsd < 1.834 and attr rmsd > 1.734) 6 6 0 peak 4045 ppm1 1.370 ppm2 1.784 volume 0.1448 assi ((( attr rmsd < 1.419) and (attr rmsd > 1.319)) and bondedto(attr rmsd < 35.141 and attr rmsd > 34.141)) ( attr rmsd < 1.730 and attr rmsd > 1.630) 6 6 0 peak 4046 ppm1 1.369 ppm2 1.680 volume 0.1670 assi ((( attr rmsd < 0.775) and (attr rmsd > 0.675)) and bondedto(attr rmsd < 35.082 and attr rmsd > 34.082)) ( attr rmsd < 1.776 and attr rmsd > 1.676) 6 6 0 peak 4047 ppm1 0.725 ppm2 1.726 volume 0.2444 assi ((( attr rmsd < 0.712) and (attr rmsd > 0.612)) and bondedto(attr rmsd < 35.109 and attr rmsd > 34.109)) ( attr rmsd < 0.710 and attr rmsd > 0.610) 6 6 0 peak 4048 ppm1 0.662 ppm2 0.660 volume 0.1810 assi ((( attr rmsd < 4.818) and (attr rmsd > 4.718)) and bondedto(attr rmsd < 58.576 and attr rmsd > 57.576)) ( attr rmsd < 1.815 and attr rmsd > 1.715) 6 6 0 peak 14049 ppm1 4.768 ppm2 1.765 volume 0.1484 assi ((( attr rmsd < 4.818) and (attr rmsd > 4.718)) and bondedto(attr rmsd < 11.056 and attr rmsd > 10.056)) ( attr rmsd < 1.815 and attr rmsd > 1.715) 6 6 0 peak 24049 ppm1 4.768 ppm2 1.765 volume 0.1484 assi ((( attr rmsd < 4.755) and (attr rmsd > 4.655)) and bondedto(attr rmsd < 58.581 and attr rmsd > 57.581)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 14050 ppm1 4.705 ppm2 1.761 volume 0.2647 assi ((( attr rmsd < 4.755) and (attr rmsd > 4.655)) and bondedto(attr rmsd < 11.061 and attr rmsd > 10.061)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 24050 ppm1 4.705 ppm2 1.761 volume 0.2647 assi ((( attr rmsd < 4.201) and (attr rmsd > 4.101)) and bondedto(attr rmsd < 58.617 and attr rmsd > 57.617)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 14051 ppm1 4.151 ppm2 4.776 volume 0.1968 assi ((( attr rmsd < 4.201) and (attr rmsd > 4.101)) and bondedto(attr rmsd < 11.097 and attr rmsd > 10.097)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 24051 ppm1 4.151 ppm2 4.776 volume 0.1968 assi ((( attr rmsd < 4.198) and (attr rmsd > 4.098)) and bondedto(attr rmsd < 58.713 and attr rmsd > 57.713)) ( attr rmsd < 2.396 and attr rmsd > 2.296) 6 6 0 peak 14052 ppm1 4.148 ppm2 2.346 volume 0.5357 assi ((( attr rmsd < 4.198) and (attr rmsd > 4.098)) and bondedto(attr rmsd < 11.193 and attr rmsd > 10.193)) ( attr rmsd < 2.396 and attr rmsd > 2.296) 6 6 0 peak 24052 ppm1 4.148 ppm2 2.346 volume 0.5357 assi ((( attr rmsd < 4.191) and (attr rmsd > 4.091)) and bondedto(attr rmsd < 58.735 and attr rmsd > 57.735)) ( attr rmsd < 2.234 and attr rmsd > 2.134) 6 6 0 peak 14053 ppm1 4.141 ppm2 2.184 volume 0.7912 assi ((( attr rmsd < 4.191) and (attr rmsd > 4.091)) and bondedto(attr rmsd < 11.215 and attr rmsd > 10.215)) ( attr rmsd < 2.234 and attr rmsd > 2.134) 6 6 0 peak 24053 ppm1 4.141 ppm2 2.184 volume 0.7912 assi ((( attr rmsd < 4.182) and (attr rmsd > 4.082)) and bondedto(attr rmsd < 58.723 and attr rmsd > 57.723)) ( attr rmsd < 3.067 and attr rmsd > 2.967) 6 6 0 peak 14054 ppm1 4.132 ppm2 3.017 volume 0.2059 assi ((( attr rmsd < 4.182) and (attr rmsd > 4.082)) and bondedto(attr rmsd < 11.203 and attr rmsd > 10.203)) ( attr rmsd < 3.067 and attr rmsd > 2.967) 6 6 0 peak 24054 ppm1 4.132 ppm2 3.017 volume 0.2059 assi ((( attr rmsd < 4.180) and (attr rmsd > 4.080)) and bondedto(attr rmsd < 58.670 and attr rmsd > 57.670)) ( attr rmsd < 0.868 and attr rmsd > 0.768) 6 6 0 peak 14055 ppm1 4.130 ppm2 0.818 volume 0.3980 assi ((( attr rmsd < 4.180) and (attr rmsd > 4.080)) and bondedto(attr rmsd < 11.150 and attr rmsd > 10.150)) ( attr rmsd < 0.868 and attr rmsd > 0.768) 6 6 0 peak 24055 ppm1 4.130 ppm2 0.818 volume 0.3980 assi ((( attr rmsd < 1.835) and (attr rmsd > 1.735)) and bondedto(attr rmsd < 58.636 and attr rmsd > 57.636)) ( attr rmsd < 0.138 and attr rmsd > 0.038) 6 6 0 peak 14056 ppm1 1.785 ppm2 0.088 volume 0.1809 assi ((( attr rmsd < 1.835) and (attr rmsd > 1.735)) and bondedto(attr rmsd < 11.116 and attr rmsd > 10.116)) ( attr rmsd < 0.138 and attr rmsd > 0.038) 6 6 0 peak 24056 ppm1 1.785 ppm2 0.088 volume 0.1809 assi ((( attr rmsd < 1.823) and (attr rmsd > 1.723)) and bondedto(attr rmsd < 58.675 and attr rmsd > 57.675)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 14057 ppm1 1.773 ppm2 -0.011 volume 0.2470 assi ((( attr rmsd < 1.823) and (attr rmsd > 1.723)) and bondedto(attr rmsd < 11.155 and attr rmsd > 10.155)) ( attr rmsd < 0.039 and attr rmsd > -0.061) 6 6 0 peak 24057 ppm1 1.773 ppm2 -0.011 volume 0.2470 assi ((( attr rmsd < 1.815) and (attr rmsd > 1.715)) and bondedto(attr rmsd < 58.592 and attr rmsd > 57.592)) ( attr rmsd < 0.471 and attr rmsd > 0.371) 6 6 0 peak 14058 ppm1 1.765 ppm2 0.421 volume 0.1537 assi ((( attr rmsd < 1.815) and (attr rmsd > 1.715)) and bondedto(attr rmsd < 11.072 and attr rmsd > 10.072)) ( attr rmsd < 0.471 and attr rmsd > 0.371) 6 6 0 peak 24058 ppm1 1.765 ppm2 0.421 volume 0.1537 assi ((( attr rmsd < 4.560) and (attr rmsd > 4.460)) and bondedto(attr rmsd < 34.838 and attr rmsd > 33.838)) ( attr rmsd < 4.238 and attr rmsd > 4.138) 6 6 0 peak 4059 ppm1 4.510 ppm2 4.188 volume 0.3897 assi ((( attr rmsd < 4.193) and (attr rmsd > 4.093)) and bondedto(attr rmsd < 34.971 and attr rmsd > 33.971)) ( attr rmsd < 0.323 and attr rmsd > 0.223) 6 6 0 peak 4060 ppm1 4.143 ppm2 0.273 volume 0.1757 assi ((( attr rmsd < 4.185) and (attr rmsd > 4.085)) and bondedto(attr rmsd < 34.931 and attr rmsd > 33.931)) ( attr rmsd < 4.066 and attr rmsd > 3.966) 6 6 0 peak 4061 ppm1 4.135 ppm2 4.016 volume 0.5236 assi ((( attr rmsd < 5.970) and (attr rmsd > 5.870)) and bondedto(attr rmsd < 58.534 and attr rmsd > 57.534)) ( attr rmsd < 4.572 and attr rmsd > 4.472) 6 6 0 peak 14062 ppm1 5.920 ppm2 4.522 volume 0.1679 assi ((( attr rmsd < 5.970) and (attr rmsd > 5.870)) and bondedto(attr rmsd < 11.014 and attr rmsd > 10.014)) ( attr rmsd < 4.572 and attr rmsd > 4.472) 6 6 0 peak 24062 ppm1 5.920 ppm2 4.522 volume 0.1679 assi ((( attr rmsd < 4.831) and (attr rmsd > 4.731)) and bondedto(attr rmsd < 58.512 and attr rmsd > 57.512)) ( attr rmsd < 4.566 and attr rmsd > 4.466) 6 6 0 peak 14063 ppm1 4.781 ppm2 4.516 volume 0.6011 assi ((( attr rmsd < 4.831) and (attr rmsd > 4.731)) and bondedto(attr rmsd < 10.992 and attr rmsd > 9.992)) ( attr rmsd < 4.566 and attr rmsd > 4.466) 6 6 0 peak 24063 ppm1 4.781 ppm2 4.516 volume 0.6011 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 58.511 and attr rmsd > 57.511)) ( attr rmsd < 4.562 and attr rmsd > 4.462) 6 6 0 peak 14064 ppm1 4.731 ppm2 4.512 volume 0.9364 assi ((( attr rmsd < 4.781) and (attr rmsd > 4.681)) and bondedto(attr rmsd < 10.991 and attr rmsd > 9.991)) ( attr rmsd < 4.562 and attr rmsd > 4.462) 6 6 0 peak 24064 ppm1 4.731 ppm2 4.512 volume 0.9364 assi ((( attr rmsd < 4.731) and (attr rmsd > 4.631)) and bondedto(attr rmsd < 58.534 and attr rmsd > 57.534)) ( attr rmsd < 4.462 and attr rmsd > 4.362) 6 6 0 peak 14065 ppm1 4.681 ppm2 4.412 volume 0.2114 assi ((( attr rmsd < 4.731) and (attr rmsd > 4.631)) and bondedto(attr rmsd < 11.014 and attr rmsd > 10.014)) ( attr rmsd < 4.462 and attr rmsd > 4.362) 6 6 0 peak 24065 ppm1 4.681 ppm2 4.412 volume 0.2114 assi ((( attr rmsd < 4.665) and (attr rmsd > 4.565)) and bondedto(attr rmsd < 58.559 and attr rmsd > 57.559)) ( attr rmsd < 4.461 and attr rmsd > 4.361) 6 6 0 peak 14066 ppm1 4.615 ppm2 4.411 volume 0.1811 assi ((( attr rmsd < 4.665) and (attr rmsd > 4.565)) and bondedto(attr rmsd < 11.039 and attr rmsd > 10.039)) ( attr rmsd < 4.461 and attr rmsd > 4.361) 6 6 0 peak 24066 ppm1 4.615 ppm2 4.411 volume 0.1811 assi ((( attr rmsd < 4.555) and (attr rmsd > 4.455)) and bondedto(attr rmsd < 58.468 and attr rmsd > 57.468)) ( attr rmsd < 4.833 and attr rmsd > 4.733) 6 6 0 peak 14067 ppm1 4.505 ppm2 4.783 volume 0.2790 assi ((( attr rmsd < 4.555) and (attr rmsd > 4.455)) and bondedto(attr rmsd < 10.948 and attr rmsd > 9.948)) ( attr rmsd < 4.833 and attr rmsd > 4.733) 6 6 0 peak 24067 ppm1 4.505 ppm2 4.783 volume 0.2790 assi ((( attr rmsd < 4.558) and (attr rmsd > 4.458)) and bondedto(attr rmsd < 58.514 and attr rmsd > 57.514)) ( attr rmsd < 4.560 and attr rmsd > 4.460) 6 6 0 peak 14068 ppm1 4.508 ppm2 4.510 volume 21.0683 assi ((( attr rmsd < 4.558) and (attr rmsd > 4.458)) and bondedto(attr rmsd < 10.994 and attr rmsd > 9.994)) ( attr rmsd < 4.560 and attr rmsd > 4.460) 6 6 0 peak 24068 ppm1 4.508 ppm2 4.510 volume 21.0683 assi ((( attr rmsd < 4.131) and (attr rmsd > 4.031)) and bondedto(attr rmsd < 58.429 and attr rmsd > 57.429)) ( attr rmsd < 4.830 and attr rmsd > 4.730) 6 6 0 peak 14069 ppm1 4.081 ppm2 4.780 volume 0.1684 assi ((( attr rmsd < 4.131) and (attr rmsd > 4.031)) and bondedto(attr rmsd < 10.909 and attr rmsd > 9.909)) ( attr rmsd < 4.830 and attr rmsd > 4.730) 6 6 0 peak 24069 ppm1 4.081 ppm2 4.780 volume 0.1684 assi ((( attr rmsd < 3.904) and (attr rmsd > 3.804)) and bondedto(attr rmsd < 58.439 and attr rmsd > 57.439)) ( attr rmsd < 4.540 and attr rmsd > 4.440) 6 6 0 peak 14070 ppm1 3.854 ppm2 4.490 volume 0.1898 assi ((( attr rmsd < 3.904) and (attr rmsd > 3.804)) and bondedto(attr rmsd < 10.919 and attr rmsd > 9.919)) ( attr rmsd < 4.540 and attr rmsd > 4.440) 6 6 0 peak 24070 ppm1 3.854 ppm2 4.490 volume 0.1898 assi ((( attr rmsd < 3.877) and (attr rmsd > 3.777)) and bondedto(attr rmsd < 58.408 and attr rmsd > 57.408)) ( attr rmsd < 3.882 and attr rmsd > 3.782) 6 6 0 peak 14071 ppm1 3.827 ppm2 3.832 volume 2.5061 assi ((( attr rmsd < 3.877) and (attr rmsd > 3.777)) and bondedto(attr rmsd < 10.888 and attr rmsd > 9.888)) ( attr rmsd < 3.882 and attr rmsd > 3.782) 6 6 0 peak 24071 ppm1 3.827 ppm2 3.832 volume 2.5061 assi ((( attr rmsd < 3.874) and (attr rmsd > 3.774)) and bondedto(attr rmsd < 58.390 and attr rmsd > 57.390)) ( attr rmsd < 1.810 and attr rmsd > 1.710) 6 6 0 peak 14072 ppm1 3.824 ppm2 1.760 volume 0.6411 assi ((( attr rmsd < 3.874) and (attr rmsd > 3.774)) and bondedto(attr rmsd < 10.870 and attr rmsd > 9.870)) ( attr rmsd < 1.810 and attr rmsd > 1.710) 6 6 0 peak 24072 ppm1 3.824 ppm2 1.760 volume 0.6411 assi ((( attr rmsd < 3.874) and (attr rmsd > 3.774)) and bondedto(attr rmsd < 58.414 and attr rmsd > 57.414)) ( attr rmsd < 1.688 and attr rmsd > 1.588) 6 6 0 peak 14073 ppm1 3.824 ppm2 1.638 volume 0.5617 assi ((( attr rmsd < 3.874) and (attr rmsd > 3.774)) and bondedto(attr rmsd < 10.894 and attr rmsd > 9.894)) ( attr rmsd < 1.688 and attr rmsd > 1.588) 6 6 0 peak 24073 ppm1 3.824 ppm2 1.638 volume 0.5617 assi ((( attr rmsd < 3.874) and (attr rmsd > 3.774)) and bondedto(attr rmsd < 58.405 and attr rmsd > 57.405)) ( attr rmsd < 0.709 and attr rmsd > 0.609) 6 6 0 peak 14074 ppm1 3.824 ppm2 0.659 volume 0.8654 assi ((( attr rmsd < 3.874) and (attr rmsd > 3.774)) and bondedto(attr rmsd < 10.885 and attr rmsd > 9.885)) ( attr rmsd < 0.709 and attr rmsd > 0.609) 6 6 0 peak 24074 ppm1 3.824 ppm2 0.659 volume 0.8654 assi ((( attr rmsd < 3.870) and (attr rmsd > 3.770)) and bondedto(attr rmsd < 58.382 and attr rmsd > 57.382)) ( attr rmsd < 0.864 and attr rmsd > 0.764) 6 6 0 peak 14075 ppm1 3.820 ppm2 0.814 volume 0.2736 assi ((( attr rmsd < 3.870) and (attr rmsd > 3.770)) and bondedto(attr rmsd < 10.862 and attr rmsd > 9.862)) ( attr rmsd < 0.864 and attr rmsd > 0.764) 6 6 0 peak 24075 ppm1 3.820 ppm2 0.814 volume 0.2736 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 58.401 and attr rmsd > 57.401)) ( attr rmsd < 1.592 and attr rmsd > 1.492) 6 6 0 peak 14076 ppm1 1.777 ppm2 1.542 volume 0.1739 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 10.881 and attr rmsd > 9.881)) ( attr rmsd < 1.592 and attr rmsd > 1.492) 6 6 0 peak 24076 ppm1 1.777 ppm2 1.542 volume 0.1739 assi ((( attr rmsd < 1.802) and (attr rmsd > 1.702)) and bondedto(attr rmsd < 58.503 and attr rmsd > 57.503)) ( attr rmsd < 0.393 and attr rmsd > 0.293) 6 6 0 peak 14077 ppm1 1.752 ppm2 0.343 volume 0.1459 assi ((( attr rmsd < 1.802) and (attr rmsd > 1.702)) and bondedto(attr rmsd < 10.983 and attr rmsd > 9.983)) ( attr rmsd < 0.393 and attr rmsd > 0.293) 6 6 0 peak 24077 ppm1 1.752 ppm2 0.343 volume 0.1459 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 58.412 and attr rmsd > 57.412)) ( attr rmsd < 0.987 and attr rmsd > 0.887) 6 6 0 peak 14078 ppm1 0.929 ppm2 0.937 volume 0.2603 assi ((( attr rmsd < 0.979) and (attr rmsd > 0.879)) and bondedto(attr rmsd < 10.892 and attr rmsd > 9.892)) ( attr rmsd < 0.987 and attr rmsd > 0.887) 6 6 0 peak 24078 ppm1 0.929 ppm2 0.937 volume 0.2603 assi ((( attr rmsd < 4.940) and (attr rmsd > 4.840)) and bondedto(attr rmsd < 34.680 and attr rmsd > 33.680)) ( attr rmsd < 4.459 and attr rmsd > 4.359) 6 6 0 peak 4079 ppm1 4.890 ppm2 4.409 volume 0.1671 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 34.699 and attr rmsd > 33.699)) ( attr rmsd < 4.460 and attr rmsd > 4.360) 6 6 0 peak 4080 ppm1 4.868 ppm2 4.410 volume 0.1924 assi ((( attr rmsd < 4.733) and (attr rmsd > 4.633)) and bondedto(attr rmsd < 34.770 and attr rmsd > 33.770)) ( attr rmsd < 4.568 and attr rmsd > 4.468) 6 6 0 peak 4081 ppm1 4.683 ppm2 4.518 volume 1.6605 assi ((( attr rmsd < 4.698) and (attr rmsd > 4.598)) and bondedto(attr rmsd < 34.767 and attr rmsd > 33.767)) ( attr rmsd < 4.568 and attr rmsd > 4.468) 6 6 0 peak 4082 ppm1 4.648 ppm2 4.518 volume 1.3527 assi ((( attr rmsd < 4.654) and (attr rmsd > 4.554)) and bondedto(attr rmsd < 34.768 and attr rmsd > 33.768)) ( attr rmsd < 4.571 and attr rmsd > 4.471) 6 6 0 peak 4083 ppm1 4.604 ppm2 4.521 volume 1.1480 assi ((( attr rmsd < 4.624) and (attr rmsd > 4.524)) and bondedto(attr rmsd < 34.749 and attr rmsd > 33.749)) ( attr rmsd < 4.559 and attr rmsd > 4.459) 6 6 0 peak 4084 ppm1 4.574 ppm2 4.509 volume 1.0912 assi ((( attr rmsd < 4.572) and (attr rmsd > 4.472)) and bondedto(attr rmsd < 34.767 and attr rmsd > 33.767)) ( attr rmsd < 4.676 and attr rmsd > 4.576) 6 6 0 peak 4085 ppm1 4.522 ppm2 4.626 volume 1.2032 assi ((( attr rmsd < 4.558) and (attr rmsd > 4.458)) and bondedto(attr rmsd < 34.757 and attr rmsd > 33.757)) ( attr rmsd < 4.460 and attr rmsd > 4.360) 6 6 0 peak 4086 ppm1 4.508 ppm2 4.410 volume 2.9271 assi ((( attr rmsd < 4.561) and (attr rmsd > 4.461)) and bondedto(attr rmsd < 34.752 and attr rmsd > 33.752)) ( attr rmsd < 3.877 and attr rmsd > 3.777) 6 6 0 peak 4087 ppm1 4.511 ppm2 3.827 volume 0.1477 assi ((( attr rmsd < 4.502) and (attr rmsd > 4.402)) and bondedto(attr rmsd < 34.777 and attr rmsd > 33.777)) ( attr rmsd < 4.574 and attr rmsd > 4.474) 6 6 0 peak 4088 ppm1 4.452 ppm2 4.524 volume 1.1614 assi ((( attr rmsd < 2.680) and (attr rmsd > 2.580)) and bondedto(attr rmsd < 34.778 and attr rmsd > 33.778)) ( attr rmsd < 4.562 and attr rmsd > 4.462) 6 6 0 peak 4089 ppm1 2.630 ppm2 4.512 volume 0.1544 assi ((( attr rmsd < 2.056) and (attr rmsd > 1.956)) and bondedto(attr rmsd < 34.652 and attr rmsd > 33.652)) ( attr rmsd < 5.008 and attr rmsd > 4.908) 6 6 0 peak 4090 ppm1 2.006 ppm2 4.958 volume 0.2380 assi ((( attr rmsd < 2.047) and (attr rmsd > 1.947)) and bondedto(attr rmsd < 34.785 and attr rmsd > 33.785)) ( attr rmsd < 2.052 and attr rmsd > 1.952) 6 6 0 peak 4091 ppm1 1.997 ppm2 2.002 volume 1.1402 assi ((( attr rmsd < 2.053) and (attr rmsd > 1.953)) and bondedto(attr rmsd < 34.642 and attr rmsd > 33.642)) ( attr rmsd < 1.778 and attr rmsd > 1.678) 6 6 0 peak 4092 ppm1 2.003 ppm2 1.728 volume 0.9687 assi ((( attr rmsd < 2.033) and (attr rmsd > 1.933)) and bondedto(attr rmsd < 34.677 and attr rmsd > 33.677)) ( attr rmsd < 2.328 and attr rmsd > 2.228) 6 6 0 peak 4093 ppm1 1.983 ppm2 2.278 volume 0.2143 assi ((( attr rmsd < 1.830) and (attr rmsd > 1.730)) and bondedto(attr rmsd < 34.687 and attr rmsd > 33.687)) ( attr rmsd < 1.833 and attr rmsd > 1.733) 6 6 0 peak 4094 ppm1 1.780 ppm2 1.783 volume 4.0465 assi ((( attr rmsd < 1.777) and (attr rmsd > 1.677)) and bondedto(attr rmsd < 34.693 and attr rmsd > 33.693)) ( attr rmsd < 2.058 and attr rmsd > 1.958) 6 6 0 peak 4095 ppm1 1.727 ppm2 2.008 volume 0.6203 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 58.255 and attr rmsd > 57.255)) ( attr rmsd < 2.476 and attr rmsd > 2.376) 6 6 0 peak 14096 ppm1 4.849 ppm2 2.426 volume 0.3207 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 10.735 and attr rmsd > 9.735)) ( attr rmsd < 2.476 and attr rmsd > 2.376) 6 6 0 peak 24096 ppm1 4.849 ppm2 2.426 volume 0.3207 assi ((( attr rmsd < 4.880) and (attr rmsd > 4.780)) and bondedto(attr rmsd < 58.342 and attr rmsd > 57.342)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 14097 ppm1 4.830 ppm2 4.776 volume 0.3459 assi ((( attr rmsd < 4.880) and (attr rmsd > 4.780)) and bondedto(attr rmsd < 10.822 and attr rmsd > 9.822)) ( attr rmsd < 4.826 and attr rmsd > 4.726) 6 6 0 peak 24097 ppm1 4.830 ppm2 4.776 volume 0.3459 assi ((( attr rmsd < 4.887) and (attr rmsd > 4.787)) and bondedto(attr rmsd < 58.365 and attr rmsd > 57.365)) ( attr rmsd < 3.880 and attr rmsd > 3.780) 6 6 0 peak 14098 ppm1 4.837 ppm2 3.830 volume 0.1518 assi ((( attr rmsd < 4.887) and (attr rmsd > 4.787)) and bondedto(attr rmsd < 10.845 and attr rmsd > 9.845)) ( attr rmsd < 3.880 and attr rmsd > 3.780) 6 6 0 peak 24098 ppm1 4.837 ppm2 3.830 volume 0.1518 assi ((( attr rmsd < 4.820) and (attr rmsd > 4.720)) and bondedto(attr rmsd < 58.343 and attr rmsd > 57.343)) ( attr rmsd < 4.831 and attr rmsd > 4.731) 6 6 0 peak 14099 ppm1 4.770 ppm2 4.781 volume 0.1685 assi ((( attr rmsd < 4.820) and (attr rmsd > 4.720)) and bondedto(attr rmsd < 10.823 and attr rmsd > 9.823)) ( attr rmsd < 4.831 and attr rmsd > 4.731) 6 6 0 peak 24099 ppm1 4.770 ppm2 4.781 volume 0.1685 assi ((( attr rmsd < 4.753) and (attr rmsd > 4.653)) and bondedto(attr rmsd < 58.246 and attr rmsd > 57.246)) ( attr rmsd < 4.789 and attr rmsd > 4.689) 6 6 0 peak 14100 ppm1 4.703 ppm2 4.739 volume 0.4944 assi ((( attr rmsd < 4.753) and (attr rmsd > 4.653)) and bondedto(attr rmsd < 10.726 and attr rmsd > 9.726)) ( attr rmsd < 4.789 and attr rmsd > 4.689) 6 6 0 peak 24100 ppm1 4.703 ppm2 4.739 volume 0.4944 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 58.261 and attr rmsd > 57.261)) ( attr rmsd < 2.477 and attr rmsd > 2.377) 6 6 0 peak 14101 ppm1 4.713 ppm2 2.427 volume 0.2910 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 10.741 and attr rmsd > 9.741)) ( attr rmsd < 2.477 and attr rmsd > 2.377) 6 6 0 peak 24101 ppm1 4.713 ppm2 2.427 volume 0.2910 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 58.363 and attr rmsd > 57.363)) ( attr rmsd < 3.882 and attr rmsd > 3.782) 6 6 0 peak 14102 ppm1 4.698 ppm2 3.832 volume 0.1727 assi ((( attr rmsd < 4.748) and (attr rmsd > 4.648)) and bondedto(attr rmsd < 10.843 and attr rmsd > 9.843)) ( attr rmsd < 3.882 and attr rmsd > 3.782) 6 6 0 peak 24102 ppm1 4.698 ppm2 3.832 volume 0.1727 assi ((( attr rmsd < 4.708) and (attr rmsd > 4.608)) and bondedto(attr rmsd < 58.336 and attr rmsd > 57.336)) ( attr rmsd < 4.861 and attr rmsd > 4.761) 6 6 0 peak 14103 ppm1 4.658 ppm2 4.811 volume 0.1539 assi ((( attr rmsd < 4.708) and (attr rmsd > 4.608)) and bondedto(attr rmsd < 10.816 and attr rmsd > 9.816)) ( attr rmsd < 4.861 and attr rmsd > 4.761) 6 6 0 peak 24103 ppm1 4.658 ppm2 4.811 volume 0.1539 assi ((( attr rmsd < 3.706) and (attr rmsd > 3.606)) and bondedto(attr rmsd < 58.244 and attr rmsd > 57.244)) ( attr rmsd < 4.510 and attr rmsd > 4.410) 6 6 0 peak 14104 ppm1 3.656 ppm2 4.460 volume 0.1802 assi ((( attr rmsd < 3.706) and (attr rmsd > 3.606)) and bondedto(attr rmsd < 10.724 and attr rmsd > 9.724)) ( attr rmsd < 4.510 and attr rmsd > 4.410) 6 6 0 peak 24104 ppm1 3.656 ppm2 4.460 volume 0.1802 assi ((( attr rmsd < 3.709) and (attr rmsd > 3.609)) and bondedto(attr rmsd < 58.316 and attr rmsd > 57.316)) ( attr rmsd < 3.715 and attr rmsd > 3.615) 6 6 0 peak 14105 ppm1 3.659 ppm2 3.665 volume 1.5210 assi ((( attr rmsd < 3.709) and (attr rmsd > 3.609)) and bondedto(attr rmsd < 10.796 and attr rmsd > 9.796)) ( attr rmsd < 3.715 and attr rmsd > 3.615) 6 6 0 peak 24105 ppm1 3.659 ppm2 3.665 volume 1.5210 assi ((( attr rmsd < 3.701) and (attr rmsd > 3.601)) and bondedto(attr rmsd < 58.243 and attr rmsd > 57.243)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 14106 ppm1 3.651 ppm2 2.274 volume 0.1718 assi ((( attr rmsd < 3.701) and (attr rmsd > 3.601)) and bondedto(attr rmsd < 10.723 and attr rmsd > 9.723)) ( attr rmsd < 2.324 and attr rmsd > 2.224) 6 6 0 peak 24106 ppm1 3.651 ppm2 2.274 volume 0.1718 assi ((( attr rmsd < 3.710) and (attr rmsd > 3.610)) and bondedto(attr rmsd < 58.297 and attr rmsd > 57.297)) ( attr rmsd < 1.787 and attr rmsd > 1.687) 6 6 0 peak 14107 ppm1 3.660 ppm2 1.737 volume 0.5424 assi ((( attr rmsd < 3.710) and (attr rmsd > 3.610)) and bondedto(attr rmsd < 10.777 and attr rmsd > 9.777)) ( attr rmsd < 1.787 and attr rmsd > 1.687) 6 6 0 peak 24107 ppm1 3.660 ppm2 1.737 volume 0.5424 assi ((( attr rmsd < 3.707) and (attr rmsd > 3.607)) and bondedto(attr rmsd < 58.342 and attr rmsd > 57.342)) ( attr rmsd < 1.641 and attr rmsd > 1.541) 6 6 0 peak 14108 ppm1 3.657 ppm2 1.591 volume 0.1936 assi ((( attr rmsd < 3.707) and (attr rmsd > 3.607)) and bondedto(attr rmsd < 10.822 and attr rmsd > 9.822)) ( attr rmsd < 1.641 and attr rmsd > 1.541) 6 6 0 peak 24108 ppm1 3.657 ppm2 1.591 volume 0.1936 assi ((( attr rmsd < 3.709) and (attr rmsd > 3.609)) and bondedto(attr rmsd < 58.257 and attr rmsd > 57.257)) ( attr rmsd < 1.260 and attr rmsd > 1.160) 6 6 0 peak 14109 ppm1 3.659 ppm2 1.210 volume 0.2042 assi ((( attr rmsd < 3.709) and (attr rmsd > 3.609)) and bondedto(attr rmsd < 10.737 and attr rmsd > 9.737)) ( attr rmsd < 1.260 and attr rmsd > 1.160) 6 6 0 peak 24109 ppm1 3.659 ppm2 1.210 volume 0.2042 assi ((( attr rmsd < 3.706) and (attr rmsd > 3.606)) and bondedto(attr rmsd < 58.284 and attr rmsd > 57.284)) ( attr rmsd < 0.558 and attr rmsd > 0.458) 6 6 0 peak 14110 ppm1 3.656 ppm2 0.508 volume 0.4517 assi ((( attr rmsd < 3.706) and (attr rmsd > 3.606)) and bondedto(attr rmsd < 10.764 and attr rmsd > 9.764)) ( attr rmsd < 0.558 and attr rmsd > 0.458) 6 6 0 peak 24110 ppm1 3.656 ppm2 0.508 volume 0.4517 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 58.355 and attr rmsd > 57.355)) ( attr rmsd < 3.653 and attr rmsd > 3.553) 6 6 0 peak 14111 ppm1 3.581 ppm2 3.603 volume 0.1908 assi ((( attr rmsd < 3.631) and (attr rmsd > 3.531)) and bondedto(attr rmsd < 10.835 and attr rmsd > 9.835)) ( attr rmsd < 3.653 and attr rmsd > 3.553) 6 6 0 peak 24111 ppm1 3.581 ppm2 3.603 volume 0.1908 assi ((( attr rmsd < 3.604) and (attr rmsd > 3.504)) and bondedto(attr rmsd < 58.316 and attr rmsd > 57.316)) ( attr rmsd < 3.724 and attr rmsd > 3.624) 6 6 0 peak 14112 ppm1 3.554 ppm2 3.674 volume 0.1601 assi ((( attr rmsd < 3.604) and (attr rmsd > 3.504)) and bondedto(attr rmsd < 10.796 and attr rmsd > 9.796)) ( attr rmsd < 3.724 and attr rmsd > 3.624) 6 6 0 peak 24112 ppm1 3.554 ppm2 3.674 volume 0.1601 assi ((( attr rmsd < 2.480) and (attr rmsd > 2.380)) and bondedto(attr rmsd < 58.264 and attr rmsd > 57.264)) ( attr rmsd < 2.339 and attr rmsd > 2.239) 6 6 0 peak 14113 ppm1 2.430 ppm2 2.289 volume 0.5065 assi ((( attr rmsd < 2.480) and (attr rmsd > 2.380)) and bondedto(attr rmsd < 10.744 and attr rmsd > 9.744)) ( attr rmsd < 2.339 and attr rmsd > 2.239) 6 6 0 peak 24113 ppm1 2.430 ppm2 2.289 volume 0.5065 assi ((( attr rmsd < 2.144) and (attr rmsd > 2.044)) and bondedto(attr rmsd < 58.357 and attr rmsd > 57.357)) ( attr rmsd < 2.242 and attr rmsd > 2.142) 6 6 0 peak 14114 ppm1 2.094 ppm2 2.192 volume 0.1646 assi ((( attr rmsd < 2.144) and (attr rmsd > 2.044)) and bondedto(attr rmsd < 10.837 and attr rmsd > 9.837)) ( attr rmsd < 2.242 and attr rmsd > 2.142) 6 6 0 peak 24114 ppm1 2.094 ppm2 2.192 volume 0.1646 assi ((( attr rmsd < 4.909) and (attr rmsd > 4.809)) and bondedto(attr rmsd < 34.464 and attr rmsd > 33.464)) ( attr rmsd < 4.776 and attr rmsd > 4.676) 6 6 0 peak 4115 ppm1 4.859 ppm2 4.726 volume 0.3254 assi ((( attr rmsd < 4.641) and (attr rmsd > 4.541)) and bondedto(attr rmsd < 34.549 and attr rmsd > 33.549)) ( attr rmsd < 4.746 and attr rmsd > 4.646) 6 6 0 peak 4116 ppm1 4.591 ppm2 4.696 volume 0.1484 assi ((( attr rmsd < 4.111) and (attr rmsd > 4.011)) and bondedto(attr rmsd < 34.461 and attr rmsd > 33.461)) ( attr rmsd < 4.109 and attr rmsd > 4.009) 6 6 0 peak 4117 ppm1 4.061 ppm2 4.059 volume 0.4390 assi ((( attr rmsd < 3.733) and (attr rmsd > 3.633)) and bondedto(attr rmsd < 34.595 and attr rmsd > 33.595)) ( attr rmsd < 3.638 and attr rmsd > 3.538) 6 6 0 peak 4118 ppm1 3.683 ppm2 3.588 volume 0.3332 assi ((( attr rmsd < 2.481) and (attr rmsd > 2.381)) and bondedto(attr rmsd < 34.557 and attr rmsd > 33.557)) ( attr rmsd < 4.548 and attr rmsd > 4.448) 6 6 0 peak 4119 ppm1 2.431 ppm2 4.498 volume 0.4527 assi ((( attr rmsd < 2.475) and (attr rmsd > 2.375)) and bondedto(attr rmsd < 34.492 and attr rmsd > 33.492)) ( attr rmsd < 2.476 and attr rmsd > 2.376) 6 6 0 peak 4120 ppm1 2.425 ppm2 2.426 volume 10.1821 assi ((( attr rmsd < 1.829) and (attr rmsd > 1.729)) and bondedto(attr rmsd < 34.533 and attr rmsd > 33.533)) ( attr rmsd < 0.893 and attr rmsd > 0.793) 6 6 0 peak 4121 ppm1 1.779 ppm2 0.843 volume 0.8390 assi ((( attr rmsd < 1.826) and (attr rmsd > 1.726)) and bondedto(attr rmsd < 34.506 and attr rmsd > 33.506)) ( attr rmsd < 0.634 and attr rmsd > 0.534) 6 6 0 peak 4122 ppm1 1.776 ppm2 0.584 volume 0.6485 assi ((( attr rmsd < 1.814) and (attr rmsd > 1.714)) and bondedto(attr rmsd < 34.572 and attr rmsd > 33.572)) ( attr rmsd < 4.982 and attr rmsd > 4.882) 6 6 0 peak 4123 ppm1 1.764 ppm2 4.932 volume 0.3344 assi ((( attr rmsd < 0.904) and (attr rmsd > 0.804)) and bondedto(attr rmsd < 34.611 and attr rmsd > 33.611)) ( attr rmsd < 0.912 and attr rmsd > 0.812) 6 6 0 peak 4124 ppm1 0.854 ppm2 0.862 volume 0.4172 assi ((( attr rmsd < 0.886) and (attr rmsd > 0.786)) and bondedto(attr rmsd < 34.526 and attr rmsd > 33.526)) ( attr rmsd < 1.836 and attr rmsd > 1.736) 6 6 0 peak 4125 ppm1 0.836 ppm2 1.786 volume 0.1738 assi ((( attr rmsd < 0.632) and (attr rmsd > 0.532)) and bondedto(attr rmsd < 34.534 and attr rmsd > 33.534)) ( attr rmsd < 1.839 and attr rmsd > 1.739) 6 6 0 peak 4126 ppm1 0.582 ppm2 1.789 volume 0.2056 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 58.034 and attr rmsd > 57.034)) ( attr rmsd < 2.348 and attr rmsd > 2.248) 6 6 0 peak 14127 ppm1 4.893 ppm2 2.298 volume 0.2248 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 10.514 and attr rmsd > 9.514)) ( attr rmsd < 2.348 and attr rmsd > 2.248) 6 6 0 peak 24127 ppm1 4.893 ppm2 2.298 volume 0.2248 assi ((( attr rmsd < 4.914) and (attr rmsd > 4.814)) and bondedto(attr rmsd < 58.066 and attr rmsd > 57.066)) ( attr rmsd < 4.914 and attr rmsd > 4.814) 6 6 0 peak 14128 ppm1 4.864 ppm2 4.864 volume 0.2972 assi ((( attr rmsd < 4.914) and (attr rmsd > 4.814)) and bondedto(attr rmsd < 10.546 and attr rmsd > 9.546)) ( attr rmsd < 4.914 and attr rmsd > 4.814) 6 6 0 peak 24128 ppm1 4.864 ppm2 4.864 volume 0.2972 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 58.024 and attr rmsd > 57.024)) ( attr rmsd < 2.352 and attr rmsd > 2.252) 6 6 0 peak 14129 ppm1 4.849 ppm2 2.302 volume 0.3944 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 10.504 and attr rmsd > 9.504)) ( attr rmsd < 2.352 and attr rmsd > 2.252) 6 6 0 peak 24129 ppm1 4.849 ppm2 2.302 volume 0.3944 assi ((( attr rmsd < 4.816) and (attr rmsd > 4.716)) and bondedto(attr rmsd < 58.040 and attr rmsd > 57.040)) ( attr rmsd < 2.351 and attr rmsd > 2.251) 6 6 0 peak 14130 ppm1 4.766 ppm2 2.301 volume 0.3143 assi ((( attr rmsd < 4.816) and (attr rmsd > 4.716)) and bondedto(attr rmsd < 10.520 and attr rmsd > 9.520)) ( attr rmsd < 2.351 and attr rmsd > 2.251) 6 6 0 peak 24130 ppm1 4.766 ppm2 2.301 volume 0.3143 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 58.047 and attr rmsd > 57.047)) ( attr rmsd < 2.349 and attr rmsd > 2.249) 6 6 0 peak 14131 ppm1 4.713 ppm2 2.299 volume 0.3914 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 10.527 and attr rmsd > 9.527)) ( attr rmsd < 2.349 and attr rmsd > 2.249) 6 6 0 peak 24131 ppm1 4.713 ppm2 2.299 volume 0.3914 assi ((( attr rmsd < 2.474) and (attr rmsd > 2.374)) and bondedto(attr rmsd < 58.182 and attr rmsd > 57.182)) ( attr rmsd < 0.634 and attr rmsd > 0.534) 6 6 0 peak 14132 ppm1 2.424 ppm2 0.584 volume 0.1457 assi ((( attr rmsd < 2.474) and (attr rmsd > 2.374)) and bondedto(attr rmsd < 10.662 and attr rmsd > 9.662)) ( attr rmsd < 0.634 and attr rmsd > 0.534) 6 6 0 peak 24132 ppm1 2.424 ppm2 0.584 volume 0.1457 assi ((( attr rmsd < 2.341) and (attr rmsd > 2.241)) and bondedto(attr rmsd < 58.152 and attr rmsd > 57.152)) ( attr rmsd < 2.486 and attr rmsd > 2.386) 6 6 0 peak 14133 ppm1 2.291 ppm2 2.436 volume 0.1971 assi ((( attr rmsd < 2.341) and (attr rmsd > 2.241)) and bondedto(attr rmsd < 10.632 and attr rmsd > 9.632)) ( attr rmsd < 2.486 and attr rmsd > 2.386) 6 6 0 peak 24133 ppm1 2.291 ppm2 2.436 volume 0.1971 assi ((( attr rmsd < 2.341) and (attr rmsd > 2.241)) and bondedto(attr rmsd < 58.035 and attr rmsd > 57.035)) ( attr rmsd < 2.228 and attr rmsd > 2.128) 6 6 0 peak 14134 ppm1 2.291 ppm2 2.178 volume 1.1290 assi ((( attr rmsd < 2.341) and (attr rmsd > 2.241)) and bondedto(attr rmsd < 10.515 and attr rmsd > 9.515)) ( attr rmsd < 2.228 and attr rmsd > 2.128) 6 6 0 peak 24134 ppm1 2.291 ppm2 2.178 volume 1.1290 assi ((( attr rmsd < 2.341) and (attr rmsd > 2.241)) and bondedto(attr rmsd < 58.021 and attr rmsd > 57.021)) ( attr rmsd < 1.419 and attr rmsd > 1.319) 6 6 0 peak 14135 ppm1 2.291 ppm2 1.369 volume 0.1703 assi ((( attr rmsd < 2.341) and (attr rmsd > 2.241)) and bondedto(attr rmsd < 10.501 and attr rmsd > 9.501)) ( attr rmsd < 1.419 and attr rmsd > 1.319) 6 6 0 peak 24135 ppm1 2.291 ppm2 1.369 volume 0.1703 assi ((( attr rmsd < 2.340) and (attr rmsd > 2.240)) and bondedto(attr rmsd < 58.060 and attr rmsd > 57.060)) ( attr rmsd < 1.269 and attr rmsd > 1.169) 6 6 0 peak 14136 ppm1 2.290 ppm2 1.219 volume 0.1739 assi ((( attr rmsd < 2.340) and (attr rmsd > 2.240)) and bondedto(attr rmsd < 10.540 and attr rmsd > 9.540)) ( attr rmsd < 1.269 and attr rmsd > 1.169) 6 6 0 peak 24136 ppm1 2.290 ppm2 1.219 volume 0.1739 assi ((( attr rmsd < 2.336) and (attr rmsd > 2.236)) and bondedto(attr rmsd < 58.071 and attr rmsd > 57.071)) ( attr rmsd < 1.169 and attr rmsd > 1.069) 6 6 0 peak 14137 ppm1 2.286 ppm2 1.119 volume 0.1715 assi ((( attr rmsd < 2.336) and (attr rmsd > 2.236)) and bondedto(attr rmsd < 10.551 and attr rmsd > 9.551)) ( attr rmsd < 1.169 and attr rmsd > 1.069) 6 6 0 peak 24137 ppm1 2.286 ppm2 1.119 volume 0.1715 assi ((( attr rmsd < 2.221) and (attr rmsd > 2.121)) and bondedto(attr rmsd < 58.041 and attr rmsd > 57.041)) ( attr rmsd < 2.355 and attr rmsd > 2.255) 6 6 0 peak 14138 ppm1 2.171 ppm2 2.305 volume 0.2036 assi ((( attr rmsd < 2.221) and (attr rmsd > 2.121)) and bondedto(attr rmsd < 10.521 and attr rmsd > 9.521)) ( attr rmsd < 2.355 and attr rmsd > 2.255) 6 6 0 peak 24138 ppm1 2.171 ppm2 2.305 volume 0.2036 assi ((( attr rmsd < 2.126) and (attr rmsd > 2.026)) and bondedto(attr rmsd < 58.139 and attr rmsd > 57.139)) ( attr rmsd < 2.038 and attr rmsd > 1.938) 6 6 0 peak 14139 ppm1 2.076 ppm2 1.988 volume 0.1627 assi ((( attr rmsd < 2.126) and (attr rmsd > 2.026)) and bondedto(attr rmsd < 10.619 and attr rmsd > 9.619)) ( attr rmsd < 2.038 and attr rmsd > 1.938) 6 6 0 peak 24139 ppm1 2.076 ppm2 1.988 volume 0.1627 assi ((( attr rmsd < 2.093) and (attr rmsd > 1.993)) and bondedto(attr rmsd < 58.023 and attr rmsd > 57.023)) ( attr rmsd < 2.350 and attr rmsd > 2.250) 6 6 0 peak 14140 ppm1 2.043 ppm2 2.300 volume 0.2894 assi ((( attr rmsd < 2.093) and (attr rmsd > 1.993)) and bondedto(attr rmsd < 10.503 and attr rmsd > 9.503)) ( attr rmsd < 2.350 and attr rmsd > 2.250) 6 6 0 peak 24140 ppm1 2.043 ppm2 2.300 volume 0.2894 assi ((( attr rmsd < 1.829) and (attr rmsd > 1.729)) and bondedto(attr rmsd < 58.056 and attr rmsd > 57.056)) ( attr rmsd < 1.939 and attr rmsd > 1.839) 6 6 0 peak 14141 ppm1 1.779 ppm2 1.889 volume 0.1547 assi ((( attr rmsd < 1.829) and (attr rmsd > 1.729)) and bondedto(attr rmsd < 10.536 and attr rmsd > 9.536)) ( attr rmsd < 1.939 and attr rmsd > 1.839) 6 6 0 peak 24141 ppm1 1.779 ppm2 1.889 volume 0.1547 assi ((( attr rmsd < 4.946) and (attr rmsd > 4.846)) and bondedto(attr rmsd < 34.343 and attr rmsd > 33.343)) ( attr rmsd < 4.754 and attr rmsd > 4.654) 6 6 0 peak 4142 ppm1 4.896 ppm2 4.704 volume 0.1643 assi ((( attr rmsd < 3.957) and (attr rmsd > 3.857)) and bondedto(attr rmsd < 34.377 and attr rmsd > 33.377)) ( attr rmsd < 3.965 and attr rmsd > 3.865) 6 6 0 peak 4143 ppm1 3.907 ppm2 3.915 volume 0.3749 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 34.379 and attr rmsd > 33.379)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 4144 ppm1 3.810 ppm2 3.595 volume 0.2983 assi ((( attr rmsd < 2.478) and (attr rmsd > 2.378)) and bondedto(attr rmsd < 34.380 and attr rmsd > 33.380)) ( attr rmsd < 2.110 and attr rmsd > 2.010) 6 6 0 peak 4145 ppm1 2.428 ppm2 2.060 volume 0.5823 assi ((( attr rmsd < 2.478) and (attr rmsd > 2.378)) and bondedto(attr rmsd < 34.362 and attr rmsd > 33.362)) ( attr rmsd < 1.963 and attr rmsd > 1.863) 6 6 0 peak 4146 ppm1 2.428 ppm2 1.913 volume 0.4671 assi ((( attr rmsd < 2.338) and (attr rmsd > 2.238)) and bondedto(attr rmsd < 34.247 and attr rmsd > 33.247)) ( attr rmsd < 4.401 and attr rmsd > 4.301) 6 6 0 peak 4147 ppm1 2.288 ppm2 4.351 volume 0.3455 assi ((( attr rmsd < 2.343) and (attr rmsd > 2.243)) and bondedto(attr rmsd < 34.275 and attr rmsd > 33.275)) ( attr rmsd < 2.348 and attr rmsd > 2.248) 6 6 0 peak 4148 ppm1 2.293 ppm2 2.298 volume 15.0273 assi ((( attr rmsd < 2.346) and (attr rmsd > 2.246)) and bondedto(attr rmsd < 34.270 and attr rmsd > 33.270)) ( attr rmsd < 2.142 and attr rmsd > 2.042) 6 6 0 peak 4149 ppm1 2.296 ppm2 2.092 volume 1.0105 assi ((( attr rmsd < 2.342) and (attr rmsd > 2.242)) and bondedto(attr rmsd < 34.290 and attr rmsd > 33.290)) ( attr rmsd < 2.047 and attr rmsd > 1.947) 6 6 0 peak 4150 ppm1 2.292 ppm2 1.997 volume 1.0379 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 34.283 and attr rmsd > 33.283)) ( attr rmsd < 2.350 and attr rmsd > 2.250) 6 6 0 peak 4151 ppm1 2.100 ppm2 2.300 volume 0.2882 assi ((( attr rmsd < 4.304) and (attr rmsd > 4.204)) and bondedto(attr rmsd < 57.844 and attr rmsd > 56.844)) ( attr rmsd < 2.360 and attr rmsd > 2.260) 6 6 0 peak 14152 ppm1 4.254 ppm2 2.310 volume 0.1728 assi ((( attr rmsd < 4.304) and (attr rmsd > 4.204)) and bondedto(attr rmsd < 10.324 and attr rmsd > 9.324)) ( attr rmsd < 2.360 and attr rmsd > 2.260) 6 6 0 peak 24152 ppm1 4.254 ppm2 2.310 volume 0.1728 assi ((( attr rmsd < 3.073) and (attr rmsd > 2.973)) and bondedto(attr rmsd < 57.867 and attr rmsd > 56.867)) ( attr rmsd < 3.093 and attr rmsd > 2.993) 6 6 0 peak 14153 ppm1 3.023 ppm2 3.043 volume 0.1605 assi ((( attr rmsd < 3.073) and (attr rmsd > 2.973)) and bondedto(attr rmsd < 10.347 and attr rmsd > 9.347)) ( attr rmsd < 3.093 and attr rmsd > 2.993) 6 6 0 peak 24153 ppm1 3.023 ppm2 3.043 volume 0.1605 assi ((( attr rmsd < 2.340) and (attr rmsd > 2.240)) and bondedto(attr rmsd < 57.978 and attr rmsd > 56.978)) ( attr rmsd < 1.928 and attr rmsd > 1.828) 6 6 0 peak 14154 ppm1 2.290 ppm2 1.878 volume 0.3235 assi ((( attr rmsd < 2.340) and (attr rmsd > 2.240)) and bondedto(attr rmsd < 10.458 and attr rmsd > 9.458)) ( attr rmsd < 1.928 and attr rmsd > 1.828) 6 6 0 peak 24154 ppm1 2.290 ppm2 1.878 volume 0.3235 assi ((( attr rmsd < 2.341) and (attr rmsd > 2.241)) and bondedto(attr rmsd < 57.975 and attr rmsd > 56.975)) ( attr rmsd < 1.327 and attr rmsd > 1.227) 6 6 0 peak 14155 ppm1 2.291 ppm2 1.277 volume 0.1775 assi ((( attr rmsd < 2.341) and (attr rmsd > 2.241)) and bondedto(attr rmsd < 10.455 and attr rmsd > 9.455)) ( attr rmsd < 1.327 and attr rmsd > 1.227) 6 6 0 peak 24155 ppm1 2.291 ppm2 1.277 volume 0.1775 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 57.901 and attr rmsd > 56.901)) ( attr rmsd < 2.159 and attr rmsd > 2.059) 6 6 0 peak 14156 ppm1 2.100 ppm2 2.109 volume 0.4361 assi ((( attr rmsd < 2.150) and (attr rmsd > 2.050)) and bondedto(attr rmsd < 10.381 and attr rmsd > 9.381)) ( attr rmsd < 2.159 and attr rmsd > 2.059) 6 6 0 peak 24156 ppm1 2.100 ppm2 2.109 volume 0.4361 assi ((( attr rmsd < 1.717) and (attr rmsd > 1.617)) and bondedto(attr rmsd < 57.947 and attr rmsd > 56.947)) ( attr rmsd < 1.870 and attr rmsd > 1.770) 6 6 0 peak 14157 ppm1 1.667 ppm2 1.820 volume 0.1451 assi ((( attr rmsd < 1.717) and (attr rmsd > 1.617)) and bondedto(attr rmsd < 10.427 and attr rmsd > 9.427)) ( attr rmsd < 1.870 and attr rmsd > 1.770) 6 6 0 peak 24157 ppm1 1.667 ppm2 1.820 volume 0.1451 assi ((( attr rmsd < 1.537) and (attr rmsd > 1.437)) and bondedto(attr rmsd < 57.828 and attr rmsd > 56.828)) ( attr rmsd < 1.546 and attr rmsd > 1.446) 6 6 0 peak 14158 ppm1 1.487 ppm2 1.496 volume 0.1528 assi ((( attr rmsd < 1.537) and (attr rmsd > 1.437)) and bondedto(attr rmsd < 10.308 and attr rmsd > 9.308)) ( attr rmsd < 1.546 and attr rmsd > 1.446) 6 6 0 peak 24158 ppm1 1.487 ppm2 1.496 volume 0.1528 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 57.886 and attr rmsd > 56.886)) ( attr rmsd < 1.252 and attr rmsd > 1.152) 6 6 0 peak 14159 ppm1 1.200 ppm2 1.202 volume 0.1518 assi ((( attr rmsd < 1.250) and (attr rmsd > 1.150)) and bondedto(attr rmsd < 10.366 and attr rmsd > 9.366)) ( attr rmsd < 1.252 and attr rmsd > 1.152) 6 6 0 peak 24159 ppm1 1.200 ppm2 1.202 volume 0.1518 assi ((( attr rmsd < 0.786) and (attr rmsd > 0.686)) and bondedto(attr rmsd < 57.860 and attr rmsd > 56.860)) ( attr rmsd < 0.795 and attr rmsd > 0.695) 6 6 0 peak 14160 ppm1 0.736 ppm2 0.745 volume 0.1980 assi ((( attr rmsd < 0.786) and (attr rmsd > 0.686)) and bondedto(attr rmsd < 10.340 and attr rmsd > 9.340)) ( attr rmsd < 0.795 and attr rmsd > 0.695) 6 6 0 peak 24160 ppm1 0.736 ppm2 0.745 volume 0.1980 assi ((( attr rmsd < 4.958) and (attr rmsd > 4.858)) and bondedto(attr rmsd < 34.153 and attr rmsd > 33.153)) ( attr rmsd < 4.948 and attr rmsd > 4.848) 6 6 0 peak 4161 ppm1 4.908 ppm2 4.898 volume 0.2420 assi ((( attr rmsd < 4.708) and (attr rmsd > 4.608)) and bondedto(attr rmsd < 34.188 and attr rmsd > 33.188)) ( attr rmsd < 4.757 and attr rmsd > 4.657) 6 6 0 peak 4162 ppm1 4.658 ppm2 4.707 volume 0.5586 assi ((( attr rmsd < 4.302) and (attr rmsd > 4.202)) and bondedto(attr rmsd < 57.792 and attr rmsd > 56.792)) ( attr rmsd < 2.128 and attr rmsd > 2.028) 6 6 0 peak 14163 ppm1 4.252 ppm2 2.078 volume 0.2069 assi ((( attr rmsd < 4.302) and (attr rmsd > 4.202)) and bondedto(attr rmsd < 10.272 and attr rmsd > 9.272)) ( attr rmsd < 2.128 and attr rmsd > 2.028) 6 6 0 peak 24163 ppm1 4.252 ppm2 2.078 volume 0.2069 assi ((( attr rmsd < 3.861) and (attr rmsd > 3.761)) and bondedto(attr rmsd < 57.638 and attr rmsd > 56.638)) ( attr rmsd < 3.731 and attr rmsd > 3.631) 6 6 0 peak 14164 ppm1 3.811 ppm2 3.681 volume 0.1837 assi ((( attr rmsd < 3.861) and (attr rmsd > 3.761)) and bondedto(attr rmsd < 10.118 and attr rmsd > 9.118)) ( attr rmsd < 3.731 and attr rmsd > 3.631) 6 6 0 peak 24164 ppm1 3.811 ppm2 3.681 volume 0.1837 assi ((( attr rmsd < 4.393) and (attr rmsd > 4.293)) and bondedto(attr rmsd < 33.904 and attr rmsd > 32.904)) ( attr rmsd < 4.398 and attr rmsd > 4.298) 6 6 0 peak 4165 ppm1 4.343 ppm2 4.348 volume 0.6149 assi ((( attr rmsd < 4.176) and (attr rmsd > 4.076)) and bondedto(attr rmsd < 33.932 and attr rmsd > 32.932)) ( attr rmsd < 4.189 and attr rmsd > 4.089) 6 6 0 peak 4166 ppm1 4.126 ppm2 4.139 volume 0.4504 assi ((( attr rmsd < 4.559) and (attr rmsd > 4.459)) and bondedto(attr rmsd < 57.471 and attr rmsd > 56.471)) ( attr rmsd < 4.460 and attr rmsd > 4.360) 6 6 0 peak 14167 ppm1 4.509 ppm2 4.410 volume 0.2471 assi ((( attr rmsd < 4.559) and (attr rmsd > 4.459)) and bondedto(attr rmsd < 9.951 and attr rmsd > 8.951)) ( attr rmsd < 4.460 and attr rmsd > 4.360) 6 6 0 peak 24167 ppm1 4.509 ppm2 4.410 volume 0.2471 assi ((( attr rmsd < 3.604) and (attr rmsd > 3.504)) and bondedto(attr rmsd < 57.486 and attr rmsd > 56.486)) ( attr rmsd < 3.727 and attr rmsd > 3.627) 6 6 0 peak 14168 ppm1 3.554 ppm2 3.677 volume 0.1564 assi ((( attr rmsd < 3.604) and (attr rmsd > 3.504)) and bondedto(attr rmsd < 9.966 and attr rmsd > 8.966)) ( attr rmsd < 3.727 and attr rmsd > 3.627) 6 6 0 peak 24168 ppm1 3.554 ppm2 3.677 volume 0.1564 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 57.570 and attr rmsd > 56.570)) ( attr rmsd < 0.985 and attr rmsd > 0.885) 6 6 0 peak 14169 ppm1 0.930 ppm2 0.935 volume 0.4981 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 10.050 and attr rmsd > 9.050)) ( attr rmsd < 0.985 and attr rmsd > 0.885) 6 6 0 peak 24169 ppm1 0.930 ppm2 0.935 volume 0.4981 assi ((( attr rmsd < 4.571) and (attr rmsd > 4.471)) and bondedto(attr rmsd < 33.733 and attr rmsd > 32.733)) ( attr rmsd < 4.573 and attr rmsd > 4.473) 6 6 0 peak 4170 ppm1 4.521 ppm2 4.523 volume 1.8003 assi ((( attr rmsd < 4.881) and (attr rmsd > 4.781)) and bondedto(attr rmsd < 57.304 and attr rmsd > 56.304)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 14171 ppm1 4.831 ppm2 4.777 volume 0.4109 assi ((( attr rmsd < 4.881) and (attr rmsd > 4.781)) and bondedto(attr rmsd < 9.784 and attr rmsd > 8.784)) ( attr rmsd < 4.827 and attr rmsd > 4.727) 6 6 0 peak 24171 ppm1 4.831 ppm2 4.777 volume 0.4109 assi ((( attr rmsd < 4.743) and (attr rmsd > 4.643)) and bondedto(attr rmsd < 57.424 and attr rmsd > 56.424)) ( attr rmsd < 4.571 and attr rmsd > 4.471) 6 6 0 peak 14172 ppm1 4.693 ppm2 4.521 volume 0.1928 assi ((( attr rmsd < 4.743) and (attr rmsd > 4.643)) and bondedto(attr rmsd < 9.904 and attr rmsd > 8.904)) ( attr rmsd < 4.571 and attr rmsd > 4.471) 6 6 0 peak 24172 ppm1 4.693 ppm2 4.521 volume 0.1928 assi ((( attr rmsd < 2.535) and (attr rmsd > 2.435)) and bondedto(attr rmsd < 57.304 and attr rmsd > 56.304)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 14173 ppm1 2.485 ppm2 2.030 volume 0.3467 assi ((( attr rmsd < 2.535) and (attr rmsd > 2.435)) and bondedto(attr rmsd < 9.784 and attr rmsd > 8.784)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 24173 ppm1 2.485 ppm2 2.030 volume 0.3467 assi ((( attr rmsd < 2.487) and (attr rmsd > 2.387)) and bondedto(attr rmsd < 57.316 and attr rmsd > 56.316)) ( attr rmsd < 2.480 and attr rmsd > 2.380) 6 6 0 peak 14174 ppm1 2.437 ppm2 2.430 volume 0.3685 assi ((( attr rmsd < 2.487) and (attr rmsd > 2.387)) and bondedto(attr rmsd < 9.796 and attr rmsd > 8.796)) ( attr rmsd < 2.480 and attr rmsd > 2.380) 6 6 0 peak 24174 ppm1 2.437 ppm2 2.430 volume 0.3685 assi ((( attr rmsd < 1.963) and (attr rmsd > 1.863)) and bondedto(attr rmsd < 57.329 and attr rmsd > 56.329)) ( attr rmsd < 1.817 and attr rmsd > 1.717) 6 6 0 peak 14175 ppm1 1.913 ppm2 1.767 volume 0.2107 assi ((( attr rmsd < 1.963) and (attr rmsd > 1.863)) and bondedto(attr rmsd < 9.809 and attr rmsd > 8.809)) ( attr rmsd < 1.817 and attr rmsd > 1.717) 6 6 0 peak 24175 ppm1 1.913 ppm2 1.767 volume 0.2107 assi ((( attr rmsd < 1.905) and (attr rmsd > 1.805)) and bondedto(attr rmsd < 57.361 and attr rmsd > 56.361)) ( attr rmsd < 1.718 and attr rmsd > 1.618) 6 6 0 peak 14176 ppm1 1.855 ppm2 1.668 volume 0.2274 assi ((( attr rmsd < 1.905) and (attr rmsd > 1.805)) and bondedto(attr rmsd < 9.841 and attr rmsd > 8.841)) ( attr rmsd < 1.718 and attr rmsd > 1.618) 6 6 0 peak 24176 ppm1 1.855 ppm2 1.668 volume 0.2274 assi ((( attr rmsd < 1.541) and (attr rmsd > 1.441)) and bondedto(attr rmsd < 57.276 and attr rmsd > 56.276)) ( attr rmsd < 1.533 and attr rmsd > 1.433) 6 6 0 peak 14177 ppm1 1.491 ppm2 1.483 volume 0.1568 assi ((( attr rmsd < 1.541) and (attr rmsd > 1.441)) and bondedto(attr rmsd < 9.756 and attr rmsd > 8.756)) ( attr rmsd < 1.533 and attr rmsd > 1.433) 6 6 0 peak 24177 ppm1 1.491 ppm2 1.483 volume 0.1568 assi ((( attr rmsd < 4.382) and (attr rmsd > 4.282)) and bondedto(attr rmsd < 33.570 and attr rmsd > 32.570)) ( attr rmsd < 1.870 and attr rmsd > 1.770) 6 6 0 peak 4178 ppm1 4.332 ppm2 1.820 volume 0.1834 assi ((( attr rmsd < 3.866) and (attr rmsd > 3.766)) and bondedto(attr rmsd < 33.574 and attr rmsd > 32.574)) ( attr rmsd < 3.875 and attr rmsd > 3.775) 6 6 0 peak 4179 ppm1 3.816 ppm2 3.825 volume 0.3188 assi ((( attr rmsd < 3.722) and (attr rmsd > 3.622)) and bondedto(attr rmsd < 33.557 and attr rmsd > 32.557)) ( attr rmsd < 3.722 and attr rmsd > 3.622) 6 6 0 peak 4180 ppm1 3.672 ppm2 3.672 volume 0.5732 assi ((( attr rmsd < 3.728) and (attr rmsd > 3.628)) and bondedto(attr rmsd < 33.599 and attr rmsd > 32.599)) ( attr rmsd < 3.656 and attr rmsd > 3.556) 6 6 0 peak 4181 ppm1 3.678 ppm2 3.606 volume 0.5446 assi ((( attr rmsd < 3.667) and (attr rmsd > 3.567)) and bondedto(attr rmsd < 33.655 and attr rmsd > 32.655)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 4182 ppm1 3.617 ppm2 3.596 volume 0.2602 assi ((( attr rmsd < 3.048) and (attr rmsd > 2.948)) and bondedto(attr rmsd < 33.660 and attr rmsd > 32.660)) ( attr rmsd < 3.042 and attr rmsd > 2.942) 6 6 0 peak 4183 ppm1 2.998 ppm2 2.992 volume 0.1463 assi ((( attr rmsd < 2.098) and (attr rmsd > 1.998)) and bondedto(attr rmsd < 33.505 and attr rmsd > 32.505)) ( attr rmsd < 2.475 and attr rmsd > 2.375) 6 6 0 peak 4184 ppm1 2.048 ppm2 2.425 volume 0.5974 assi ((( attr rmsd < 1.964) and (attr rmsd > 1.864)) and bondedto(attr rmsd < 33.503 and attr rmsd > 32.503)) ( attr rmsd < 4.541 and attr rmsd > 4.441) 6 6 0 peak 4185 ppm1 1.914 ppm2 4.491 volume 0.2193 assi ((( attr rmsd < 1.960) and (attr rmsd > 1.860)) and bondedto(attr rmsd < 33.573 and attr rmsd > 32.573)) ( attr rmsd < 2.476 and attr rmsd > 2.376) 6 6 0 peak 4186 ppm1 1.910 ppm2 2.426 volume 0.5646 assi ((( attr rmsd < 1.829) and (attr rmsd > 1.729)) and bondedto(attr rmsd < 33.493 and attr rmsd > 32.493)) ( attr rmsd < 4.384 and attr rmsd > 4.284) 6 6 0 peak 4187 ppm1 1.779 ppm2 4.334 volume 0.1954 assi ((( attr rmsd < 5.176) and (attr rmsd > 5.076)) and bondedto(attr rmsd < 57.175 and attr rmsd > 56.175)) ( attr rmsd < 4.282 and attr rmsd > 4.182) 6 6 0 peak 14188 ppm1 5.126 ppm2 4.232 volume 0.1706 assi ((( attr rmsd < 5.176) and (attr rmsd > 5.076)) and bondedto(attr rmsd < 9.655 and attr rmsd > 8.655)) ( attr rmsd < 4.282 and attr rmsd > 4.182) 6 6 0 peak 24188 ppm1 5.126 ppm2 4.232 volume 0.1706 assi ((( attr rmsd < 5.106) and (attr rmsd > 5.006)) and bondedto(attr rmsd < 57.131 and attr rmsd > 56.131)) ( attr rmsd < 4.286 and attr rmsd > 4.186) 6 6 0 peak 14189 ppm1 5.056 ppm2 4.236 volume 0.2263 assi ((( attr rmsd < 5.106) and (attr rmsd > 5.006)) and bondedto(attr rmsd < 9.611 and attr rmsd > 8.611)) ( attr rmsd < 4.286 and attr rmsd > 4.186) 6 6 0 peak 24189 ppm1 5.056 ppm2 4.236 volume 0.2263 assi ((( attr rmsd < 5.023) and (attr rmsd > 4.923)) and bondedto(attr rmsd < 57.184 and attr rmsd > 56.184)) ( attr rmsd < 4.282 and attr rmsd > 4.182) 6 6 0 peak 14190 ppm1 4.973 ppm2 4.232 volume 0.3427 assi ((( attr rmsd < 5.023) and (attr rmsd > 4.923)) and bondedto(attr rmsd < 9.664 and attr rmsd > 8.664)) ( attr rmsd < 4.282 and attr rmsd > 4.182) 6 6 0 peak 24190 ppm1 4.973 ppm2 4.232 volume 0.3427 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 57.125 and attr rmsd > 56.125)) ( attr rmsd < 4.277 and attr rmsd > 4.177) 6 6 0 peak 14191 ppm1 4.851 ppm2 4.227 volume 1.0254 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 9.605 and attr rmsd > 8.605)) ( attr rmsd < 4.277 and attr rmsd > 4.177) 6 6 0 peak 24191 ppm1 4.851 ppm2 4.227 volume 1.0254 assi ((( attr rmsd < 4.766) and (attr rmsd > 4.666)) and bondedto(attr rmsd < 57.087 and attr rmsd > 56.087)) ( attr rmsd < 4.276 and attr rmsd > 4.176) 6 6 0 peak 14192 ppm1 4.716 ppm2 4.226 volume 0.7601 assi ((( attr rmsd < 4.766) and (attr rmsd > 4.666)) and bondedto(attr rmsd < 9.567 and attr rmsd > 8.567)) ( attr rmsd < 4.276 and attr rmsd > 4.176) 6 6 0 peak 24192 ppm1 4.716 ppm2 4.226 volume 0.7601 assi ((( attr rmsd < 4.576) and (attr rmsd > 4.476)) and bondedto(attr rmsd < 57.083 and attr rmsd > 56.083)) ( attr rmsd < 2.087 and attr rmsd > 1.987) 6 6 0 peak 14193 ppm1 4.526 ppm2 2.037 volume 0.1839 assi ((( attr rmsd < 4.576) and (attr rmsd > 4.476)) and bondedto(attr rmsd < 9.563 and attr rmsd > 8.563)) ( attr rmsd < 2.087 and attr rmsd > 1.987) 6 6 0 peak 24193 ppm1 4.526 ppm2 2.037 volume 0.1839 assi ((( attr rmsd < 4.532) and (attr rmsd > 4.432)) and bondedto(attr rmsd < 57.086 and attr rmsd > 56.086)) ( attr rmsd < 1.842 and attr rmsd > 1.742) 6 6 0 peak 14194 ppm1 4.482 ppm2 1.792 volume 0.1547 assi ((( attr rmsd < 4.532) and (attr rmsd > 4.432)) and bondedto(attr rmsd < 9.566 and attr rmsd > 8.566)) ( attr rmsd < 1.842 and attr rmsd > 1.742) 6 6 0 peak 24194 ppm1 4.482 ppm2 1.792 volume 0.1547 assi ((( attr rmsd < 4.255) and (attr rmsd > 4.155)) and bondedto(attr rmsd < 57.131 and attr rmsd > 56.131)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 14195 ppm1 4.205 ppm2 4.775 volume 0.8686 assi ((( attr rmsd < 4.255) and (attr rmsd > 4.155)) and bondedto(attr rmsd < 9.611 and attr rmsd > 8.611)) ( attr rmsd < 4.825 and attr rmsd > 4.725) 6 6 0 peak 24195 ppm1 4.205 ppm2 4.775 volume 0.8686 assi ((( attr rmsd < 4.261) and (attr rmsd > 4.161)) and bondedto(attr rmsd < 57.085 and attr rmsd > 56.085)) ( attr rmsd < 4.263 and attr rmsd > 4.163) 6 6 0 peak 14196 ppm1 4.211 ppm2 4.213 volume 9.7556 assi ((( attr rmsd < 4.261) and (attr rmsd > 4.161)) and bondedto(attr rmsd < 9.565 and attr rmsd > 8.565)) ( attr rmsd < 4.263 and attr rmsd > 4.163) 6 6 0 peak 24196 ppm1 4.211 ppm2 4.213 volume 9.7556 assi ((( attr rmsd < 2.607) and (attr rmsd > 2.507)) and bondedto(attr rmsd < 57.191 and attr rmsd > 56.191)) ( attr rmsd < 2.085 and attr rmsd > 1.985) 6 6 0 peak 14197 ppm1 2.557 ppm2 2.035 volume 0.1717 assi ((( attr rmsd < 2.607) and (attr rmsd > 2.507)) and bondedto(attr rmsd < 9.671 and attr rmsd > 8.671)) ( attr rmsd < 2.085 and attr rmsd > 1.985) 6 6 0 peak 24197 ppm1 2.557 ppm2 2.035 volume 0.1717 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 57.117 and attr rmsd > 56.117)) ( attr rmsd < 1.854 and attr rmsd > 1.754) 6 6 0 peak 14198 ppm1 1.980 ppm2 1.804 volume 0.3720 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 9.597 and attr rmsd > 8.597)) ( attr rmsd < 1.854 and attr rmsd > 1.754) 6 6 0 peak 24198 ppm1 1.980 ppm2 1.804 volume 0.3720 assi ((( attr rmsd < 1.796) and (attr rmsd > 1.696)) and bondedto(attr rmsd < 57.083 and attr rmsd > 56.083)) ( attr rmsd < 1.669 and attr rmsd > 1.569) 6 6 0 peak 14199 ppm1 1.746 ppm2 1.619 volume 1.0860 assi ((( attr rmsd < 1.796) and (attr rmsd > 1.696)) and bondedto(attr rmsd < 9.563 and attr rmsd > 8.563)) ( attr rmsd < 1.669 and attr rmsd > 1.569) 6 6 0 peak 24199 ppm1 1.746 ppm2 1.619 volume 1.0860 assi ((( attr rmsd < 1.759) and (attr rmsd > 1.659)) and bondedto(attr rmsd < 57.241 and attr rmsd > 56.241)) ( attr rmsd < 1.929 and attr rmsd > 1.829) 6 6 0 peak 14200 ppm1 1.709 ppm2 1.879 volume 0.1579 assi ((( attr rmsd < 1.759) and (attr rmsd > 1.659)) and bondedto(attr rmsd < 9.721 and attr rmsd > 8.721)) ( attr rmsd < 1.929 and attr rmsd > 1.829) 6 6 0 peak 24200 ppm1 1.709 ppm2 1.879 volume 0.1579 assi ((( attr rmsd < 1.573) and (attr rmsd > 1.473)) and bondedto(attr rmsd < 57.158 and attr rmsd > 56.158)) ( attr rmsd < 1.836 and attr rmsd > 1.736) 6 6 0 peak 14201 ppm1 1.523 ppm2 1.786 volume 0.1722 assi ((( attr rmsd < 1.573) and (attr rmsd > 1.473)) and bondedto(attr rmsd < 9.638 and attr rmsd > 8.638)) ( attr rmsd < 1.836 and attr rmsd > 1.736) 6 6 0 peak 24201 ppm1 1.523 ppm2 1.786 volume 0.1722 assi ((( attr rmsd < 1.497) and (attr rmsd > 1.397)) and bondedto(attr rmsd < 57.070 and attr rmsd > 56.070)) ( attr rmsd < 1.794 and attr rmsd > 1.694) 6 6 0 peak 14202 ppm1 1.447 ppm2 1.744 volume 0.1867 assi ((( attr rmsd < 1.497) and (attr rmsd > 1.397)) and bondedto(attr rmsd < 9.550 and attr rmsd > 8.550)) ( attr rmsd < 1.794 and attr rmsd > 1.694) 6 6 0 peak 24202 ppm1 1.447 ppm2 1.744 volume 0.1867 assi ((( attr rmsd < 1.468) and (attr rmsd > 1.368)) and bondedto(attr rmsd < 57.226 and attr rmsd > 56.226)) ( attr rmsd < 1.501 and attr rmsd > 1.401) 6 6 0 peak 14203 ppm1 1.418 ppm2 1.451 volume 0.1517 assi ((( attr rmsd < 1.468) and (attr rmsd > 1.368)) and bondedto(attr rmsd < 9.706 and attr rmsd > 8.706)) ( attr rmsd < 1.501 and attr rmsd > 1.401) 6 6 0 peak 24203 ppm1 1.418 ppm2 1.451 volume 0.1517 assi ((( attr rmsd < 1.403) and (attr rmsd > 1.303)) and bondedto(attr rmsd < 57.109 and attr rmsd > 56.109)) ( attr rmsd < 1.875 and attr rmsd > 1.775) 6 6 0 peak 14204 ppm1 1.353 ppm2 1.825 volume 0.1655 assi ((( attr rmsd < 1.403) and (attr rmsd > 1.303)) and bondedto(attr rmsd < 9.589 and attr rmsd > 8.589)) ( attr rmsd < 1.875 and attr rmsd > 1.775) 6 6 0 peak 24204 ppm1 1.353 ppm2 1.825 volume 0.1655 assi ((( attr rmsd < 1.251) and (attr rmsd > 1.151)) and bondedto(attr rmsd < 57.200 and attr rmsd > 56.200)) ( attr rmsd < 1.252 and attr rmsd > 1.152) 6 6 0 peak 14205 ppm1 1.201 ppm2 1.202 volume 0.1739 assi ((( attr rmsd < 1.251) and (attr rmsd > 1.151)) and bondedto(attr rmsd < 9.680 and attr rmsd > 8.680)) ( attr rmsd < 1.252 and attr rmsd > 1.152) 6 6 0 peak 24205 ppm1 1.201 ppm2 1.202 volume 0.1739 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) and bondedto(attr rmsd < 57.126 and attr rmsd > 56.126)) ( attr rmsd < 0.904 and attr rmsd > 0.804) 6 6 0 peak 14206 ppm1 0.848 ppm2 0.854 volume 0.4275 assi ((( attr rmsd < 0.898) and (attr rmsd > 0.798)) and bondedto(attr rmsd < 9.606 and attr rmsd > 8.606)) ( attr rmsd < 0.904 and attr rmsd > 0.804) 6 6 0 peak 24206 ppm1 0.848 ppm2 0.854 volume 0.4275 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 57.112 and attr rmsd > 56.112)) ( attr rmsd < 0.818 and attr rmsd > 0.718) 6 6 0 peak 14207 ppm1 0.754 ppm2 0.768 volume 0.1617 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 9.592 and attr rmsd > 8.592)) ( attr rmsd < 0.818 and attr rmsd > 0.718) 6 6 0 peak 24207 ppm1 0.754 ppm2 0.768 volume 0.1617 assi ((( attr rmsd < 4.526) and (attr rmsd > 4.426)) and bondedto(attr rmsd < 33.429 and attr rmsd > 32.429)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 4208 ppm1 4.476 ppm2 2.017 volume 0.2457 assi ((( attr rmsd < 4.250) and (attr rmsd > 4.150)) and bondedto(attr rmsd < 33.379 and attr rmsd > 32.379)) ( attr rmsd < 4.145 and attr rmsd > 4.045) 6 6 0 peak 4209 ppm1 4.200 ppm2 4.095 volume 0.8707 assi ((( attr rmsd < 4.128) and (attr rmsd > 4.028)) and bondedto(attr rmsd < 33.477 and attr rmsd > 32.477)) ( attr rmsd < 4.276 and attr rmsd > 4.176) 6 6 0 peak 4210 ppm1 4.078 ppm2 4.226 volume 0.1566 assi ((( attr rmsd < 3.953) and (attr rmsd > 3.853)) and bondedto(attr rmsd < 33.478 and attr rmsd > 32.478)) ( attr rmsd < 3.960 and attr rmsd > 3.860) 6 6 0 peak 4211 ppm1 3.903 ppm2 3.910 volume 0.2034 assi ((( attr rmsd < 3.947) and (attr rmsd > 3.847)) and bondedto(attr rmsd < 33.443 and attr rmsd > 32.443)) ( attr rmsd < 4.276 and attr rmsd > 4.176) 6 6 0 peak 4212 ppm1 3.897 ppm2 4.226 volume 0.1483 assi ((( attr rmsd < 2.099) and (attr rmsd > 1.999)) and bondedto(attr rmsd < 33.444 and attr rmsd > 32.444)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 4213 ppm1 2.049 ppm2 4.484 volume 0.3089 assi ((( attr rmsd < 1.887) and (attr rmsd > 1.787)) and bondedto(attr rmsd < 33.330 and attr rmsd > 32.330)) ( attr rmsd < 1.869 and attr rmsd > 1.769) 6 6 0 peak 4214 ppm1 1.837 ppm2 1.819 volume 8.0184 assi ((( attr rmsd < 1.793) and (attr rmsd > 1.693)) and bondedto(attr rmsd < 33.323 and attr rmsd > 32.323)) ( attr rmsd < 4.823 and attr rmsd > 4.723) 6 6 0 peak 4215 ppm1 1.743 ppm2 4.773 volume 0.2447 assi ((( attr rmsd < 5.851) and (attr rmsd > 5.751)) and bondedto(attr rmsd < 56.913 and attr rmsd > 55.913)) ( attr rmsd < 2.633 and attr rmsd > 2.533) 6 6 0 peak 14216 ppm1 5.801 ppm2 2.583 volume 0.2202 assi ((( attr rmsd < 5.851) and (attr rmsd > 5.751)) and bondedto(attr rmsd < 9.393 and attr rmsd > 8.393)) ( attr rmsd < 2.633 and attr rmsd > 2.533) 6 6 0 peak 24216 ppm1 5.801 ppm2 2.583 volume 0.2202 assi ((( attr rmsd < 5.852) and (attr rmsd > 5.752)) and bondedto(attr rmsd < 56.968 and attr rmsd > 55.968)) ( attr rmsd < 0.899 and attr rmsd > 0.799) 6 6 0 peak 14217 ppm1 5.802 ppm2 0.849 volume 0.1676 assi ((( attr rmsd < 5.852) and (attr rmsd > 5.752)) and bondedto(attr rmsd < 9.448 and attr rmsd > 8.448)) ( attr rmsd < 0.899 and attr rmsd > 0.799) 6 6 0 peak 24217 ppm1 5.802 ppm2 0.849 volume 0.1676 assi ((( attr rmsd < 5.845) and (attr rmsd > 5.745)) and bondedto(attr rmsd < 56.941 and attr rmsd > 55.941)) ( attr rmsd < 5.848 and attr rmsd > 5.748) 6 6 0 peak 14218 ppm1 5.795 ppm2 5.798 volume 1.3050 assi ((( attr rmsd < 5.845) and (attr rmsd > 5.745)) and bondedto(attr rmsd < 9.421 and attr rmsd > 8.421)) ( attr rmsd < 5.848 and attr rmsd > 5.748) 6 6 0 peak 24218 ppm1 5.795 ppm2 5.798 volume 1.3050 assi ((( attr rmsd < 5.845) and (attr rmsd > 5.745)) and bondedto(attr rmsd < 56.922 and attr rmsd > 55.922)) ( attr rmsd < 2.787 and attr rmsd > 2.687) 6 6 0 peak 14219 ppm1 5.795 ppm2 2.737 volume 0.3185 assi ((( attr rmsd < 5.845) and (attr rmsd > 5.745)) and bondedto(attr rmsd < 9.402 and attr rmsd > 8.402)) ( attr rmsd < 2.787 and attr rmsd > 2.687) 6 6 0 peak 24219 ppm1 5.795 ppm2 2.737 volume 0.3185 assi ((( attr rmsd < 4.947) and (attr rmsd > 4.847)) and bondedto(attr rmsd < 56.893 and attr rmsd > 55.893)) ( attr rmsd < 3.131 and attr rmsd > 3.031) 6 6 0 peak 14220 ppm1 4.897 ppm2 3.081 volume 0.2953 assi ((( attr rmsd < 4.947) and (attr rmsd > 4.847)) and bondedto(attr rmsd < 9.373 and attr rmsd > 8.373)) ( attr rmsd < 3.131 and attr rmsd > 3.031) 6 6 0 peak 24220 ppm1 4.897 ppm2 3.081 volume 0.2953 assi ((( attr rmsd < 4.950) and (attr rmsd > 4.850)) and bondedto(attr rmsd < 56.907 and attr rmsd > 55.907)) ( attr rmsd < 3.005 and attr rmsd > 2.905) 6 6 0 peak 14221 ppm1 4.900 ppm2 2.955 volume 0.1869 assi ((( attr rmsd < 4.950) and (attr rmsd > 4.850)) and bondedto(attr rmsd < 9.387 and attr rmsd > 8.387)) ( attr rmsd < 3.005 and attr rmsd > 2.905) 6 6 0 peak 24221 ppm1 4.900 ppm2 2.955 volume 0.1869 assi ((( attr rmsd < 4.935) and (attr rmsd > 4.835)) and bondedto(attr rmsd < 56.980 and attr rmsd > 55.980)) ( attr rmsd < 4.945 and attr rmsd > 4.845) 6 6 0 peak 14222 ppm1 4.885 ppm2 4.895 volume 1.6734 assi ((( attr rmsd < 4.935) and (attr rmsd > 4.835)) and bondedto(attr rmsd < 9.460 and attr rmsd > 8.460)) ( attr rmsd < 4.945 and attr rmsd > 4.845) 6 6 0 peak 24222 ppm1 4.885 ppm2 4.895 volume 1.6734 assi ((( attr rmsd < 4.938) and (attr rmsd > 4.838)) and bondedto(attr rmsd < 56.966 and attr rmsd > 55.966)) ( attr rmsd < 1.847 and attr rmsd > 1.747) 6 6 0 peak 14223 ppm1 4.888 ppm2 1.797 volume 0.2225 assi ((( attr rmsd < 4.938) and (attr rmsd > 4.838)) and bondedto(attr rmsd < 9.446 and attr rmsd > 8.446)) ( attr rmsd < 1.847 and attr rmsd > 1.747) 6 6 0 peak 24223 ppm1 4.888 ppm2 1.797 volume 0.2225 assi ((( attr rmsd < 4.891) and (attr rmsd > 4.791)) and bondedto(attr rmsd < 56.916 and attr rmsd > 55.916)) ( attr rmsd < 2.106 and attr rmsd > 2.006) 6 6 0 peak 14224 ppm1 4.841 ppm2 2.056 volume 0.6282 assi ((( attr rmsd < 4.891) and (attr rmsd > 4.791)) and bondedto(attr rmsd < 9.396 and attr rmsd > 8.396)) ( attr rmsd < 2.106 and attr rmsd > 2.006) 6 6 0 peak 24224 ppm1 4.841 ppm2 2.056 volume 0.6282 assi ((( attr rmsd < 4.882) and (attr rmsd > 4.782)) and bondedto(attr rmsd < 57.028 and attr rmsd > 56.028)) ( attr rmsd < 1.874 and attr rmsd > 1.774) 6 6 0 peak 14225 ppm1 4.832 ppm2 1.824 volume 0.3727 assi ((( attr rmsd < 4.882) and (attr rmsd > 4.782)) and bondedto(attr rmsd < 9.508 and attr rmsd > 8.508)) ( attr rmsd < 1.874 and attr rmsd > 1.774) 6 6 0 peak 24225 ppm1 4.832 ppm2 1.824 volume 0.3727 assi ((( attr rmsd < 4.836) and (attr rmsd > 4.736)) and bondedto(attr rmsd < 56.992 and attr rmsd > 55.992)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 14226 ppm1 4.786 ppm2 1.761 volume 0.3620 assi ((( attr rmsd < 4.836) and (attr rmsd > 4.736)) and bondedto(attr rmsd < 9.472 and attr rmsd > 8.472)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 24226 ppm1 4.786 ppm2 1.761 volume 0.3620 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 56.905 and attr rmsd > 55.905)) ( attr rmsd < 2.112 and attr rmsd > 2.012) 6 6 0 peak 14227 ppm1 4.707 ppm2 2.062 volume 0.6932 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 9.385 and attr rmsd > 8.385)) ( attr rmsd < 2.112 and attr rmsd > 2.012) 6 6 0 peak 24227 ppm1 4.707 ppm2 2.062 volume 0.6932 assi ((( attr rmsd < 4.743) and (attr rmsd > 4.643)) and bondedto(attr rmsd < 57.008 and attr rmsd > 56.008)) ( attr rmsd < 1.838 and attr rmsd > 1.738) 6 6 0 peak 14228 ppm1 4.693 ppm2 1.788 volume 0.3912 assi ((( attr rmsd < 4.743) and (attr rmsd > 4.643)) and bondedto(attr rmsd < 9.488 and attr rmsd > 8.488)) ( attr rmsd < 1.838 and attr rmsd > 1.738) 6 6 0 peak 24228 ppm1 4.693 ppm2 1.788 volume 0.3912 assi ((( attr rmsd < 4.683) and (attr rmsd > 4.583)) and bondedto(attr rmsd < 56.931 and attr rmsd > 55.931)) ( attr rmsd < 2.857 and attr rmsd > 2.757) 6 6 0 peak 14229 ppm1 4.633 ppm2 2.807 volume 0.7017 assi ((( attr rmsd < 4.683) and (attr rmsd > 4.583)) and bondedto(attr rmsd < 9.411 and attr rmsd > 8.411)) ( attr rmsd < 2.857 and attr rmsd > 2.757) 6 6 0 peak 24229 ppm1 4.633 ppm2 2.807 volume 0.7017 assi ((( attr rmsd < 4.682) and (attr rmsd > 4.582)) and bondedto(attr rmsd < 56.974 and attr rmsd > 55.974)) ( attr rmsd < 2.587 and attr rmsd > 2.487) 6 6 0 peak 14230 ppm1 4.632 ppm2 2.537 volume 0.4586 assi ((( attr rmsd < 4.682) and (attr rmsd > 4.582)) and bondedto(attr rmsd < 9.454 and attr rmsd > 8.454)) ( attr rmsd < 2.587 and attr rmsd > 2.487) 6 6 0 peak 24230 ppm1 4.632 ppm2 2.537 volume 0.4586 assi ((( attr rmsd < 4.688) and (attr rmsd > 4.588)) and bondedto(attr rmsd < 56.937 and attr rmsd > 55.937)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 14231 ppm1 4.638 ppm2 1.761 volume 0.4525 assi ((( attr rmsd < 4.688) and (attr rmsd > 4.588)) and bondedto(attr rmsd < 9.417 and attr rmsd > 8.417)) ( attr rmsd < 1.811 and attr rmsd > 1.711) 6 6 0 peak 24231 ppm1 4.638 ppm2 1.761 volume 0.4525 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 56.978 and attr rmsd > 55.978)) ( attr rmsd < 2.103 and attr rmsd > 2.003) 6 6 0 peak 14232 ppm1 4.614 ppm2 2.053 volume 0.2013 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 9.458 and attr rmsd > 8.458)) ( attr rmsd < 2.103 and attr rmsd > 2.003) 6 6 0 peak 24232 ppm1 4.614 ppm2 2.053 volume 0.2013 assi ((( attr rmsd < 4.479) and (attr rmsd > 4.379)) and bondedto(attr rmsd < 57.039 and attr rmsd > 56.039)) ( attr rmsd < 2.072 and attr rmsd > 1.972) 6 6 0 peak 14233 ppm1 4.429 ppm2 2.022 volume 0.1850 assi ((( attr rmsd < 4.479) and (attr rmsd > 4.379)) and bondedto(attr rmsd < 9.519 and attr rmsd > 8.519)) ( attr rmsd < 2.072 and attr rmsd > 1.972) 6 6 0 peak 24233 ppm1 4.429 ppm2 2.022 volume 0.1850 assi ((( attr rmsd < 4.284) and (attr rmsd > 4.184)) and bondedto(attr rmsd < 56.976 and attr rmsd > 55.976)) ( attr rmsd < 2.154 and attr rmsd > 2.054) 6 6 0 peak 14234 ppm1 4.234 ppm2 2.104 volume 0.2386 assi ((( attr rmsd < 4.284) and (attr rmsd > 4.184)) and bondedto(attr rmsd < 9.456 and attr rmsd > 8.456)) ( attr rmsd < 2.154 and attr rmsd > 2.054) 6 6 0 peak 24234 ppm1 4.234 ppm2 2.104 volume 0.2386 assi ((( attr rmsd < 4.288) and (attr rmsd > 4.188)) and bondedto(attr rmsd < 56.958 and attr rmsd > 55.958)) ( attr rmsd < 1.900 and attr rmsd > 1.800) 6 6 0 peak 14235 ppm1 4.238 ppm2 1.850 volume 0.6415 assi ((( attr rmsd < 4.288) and (attr rmsd > 4.188)) and bondedto(attr rmsd < 9.438 and attr rmsd > 8.438)) ( attr rmsd < 1.900 and attr rmsd > 1.800) 6 6 0 peak 24235 ppm1 4.238 ppm2 1.850 volume 0.6415 assi ((( attr rmsd < 4.194) and (attr rmsd > 4.094)) and bondedto(attr rmsd < 56.909 and attr rmsd > 55.909)) ( attr rmsd < 2.118 and attr rmsd > 2.018) 6 6 0 peak 14236 ppm1 4.144 ppm2 2.068 volume 0.2061 assi ((( attr rmsd < 4.194) and (attr rmsd > 4.094)) and bondedto(attr rmsd < 9.389 and attr rmsd > 8.389)) ( attr rmsd < 2.118 and attr rmsd > 2.018) 6 6 0 peak 24236 ppm1 4.144 ppm2 2.068 volume 0.2061 assi ((( attr rmsd < 3.859) and (attr rmsd > 3.759)) and bondedto(attr rmsd < 57.004 and attr rmsd > 56.004)) ( attr rmsd < 3.735 and attr rmsd > 3.635) 6 6 0 peak 14237 ppm1 3.809 ppm2 3.685 volume 0.2516 assi ((( attr rmsd < 3.859) and (attr rmsd > 3.759)) and bondedto(attr rmsd < 9.484 and attr rmsd > 8.484)) ( attr rmsd < 3.735 and attr rmsd > 3.635) 6 6 0 peak 24237 ppm1 3.809 ppm2 3.685 volume 0.2516 assi ((( attr rmsd < 2.346) and (attr rmsd > 2.246)) and bondedto(attr rmsd < 57.042 and attr rmsd > 56.042)) ( attr rmsd < 2.349 and attr rmsd > 2.249) 6 6 0 peak 14238 ppm1 2.296 ppm2 2.299 volume 1.2006 assi ((( attr rmsd < 2.346) and (attr rmsd > 2.246)) and bondedto(attr rmsd < 9.522 and attr rmsd > 8.522)) ( attr rmsd < 2.349 and attr rmsd > 2.249) 6 6 0 peak 24238 ppm1 2.296 ppm2 2.299 volume 1.2006 assi ((( attr rmsd < 1.320) and (attr rmsd > 1.220)) and bondedto(attr rmsd < 57.034 and attr rmsd > 56.034)) ( attr rmsd < 1.806 and attr rmsd > 1.706) 6 6 0 peak 14239 ppm1 1.270 ppm2 1.756 volume 0.1869 assi ((( attr rmsd < 1.320) and (attr rmsd > 1.220)) and bondedto(attr rmsd < 9.514 and attr rmsd > 8.514)) ( attr rmsd < 1.806 and attr rmsd > 1.706) 6 6 0 peak 24239 ppm1 1.270 ppm2 1.756 volume 0.1869 assi ((( attr rmsd < 1.088) and (attr rmsd > 0.988)) and bondedto(attr rmsd < 56.893 and attr rmsd > 55.893)) ( attr rmsd < 2.115 and attr rmsd > 2.015) 6 6 0 peak 14240 ppm1 1.038 ppm2 2.065 volume 0.2904 assi ((( attr rmsd < 1.088) and (attr rmsd > 0.988)) and bondedto(attr rmsd < 9.373 and attr rmsd > 8.373)) ( attr rmsd < 2.115 and attr rmsd > 2.015) 6 6 0 peak 24240 ppm1 1.038 ppm2 2.065 volume 0.2904 assi ((( attr rmsd < 1.048) and (attr rmsd > 0.948)) and bondedto(attr rmsd < 56.931 and attr rmsd > 55.931)) ( attr rmsd < 2.113 and attr rmsd > 2.013) 6 6 0 peak 14241 ppm1 0.998 ppm2 2.063 volume 0.7688 assi ((( attr rmsd < 1.048) and (attr rmsd > 0.948)) and bondedto(attr rmsd < 9.411 and attr rmsd > 8.411)) ( attr rmsd < 2.113 and attr rmsd > 2.013) 6 6 0 peak 24241 ppm1 0.998 ppm2 2.063 volume 0.7688 assi ((( attr rmsd < 1.001) and (attr rmsd > 0.901)) and bondedto(attr rmsd < 56.926 and attr rmsd > 55.926)) ( attr rmsd < 1.809 and attr rmsd > 1.709) 6 6 0 peak 14242 ppm1 0.951 ppm2 1.759 volume 0.1455 assi ((( attr rmsd < 1.001) and (attr rmsd > 0.901)) and bondedto(attr rmsd < 9.406 and attr rmsd > 8.406)) ( attr rmsd < 1.809 and attr rmsd > 1.709) 6 6 0 peak 24242 ppm1 0.951 ppm2 1.759 volume 0.1455 assi ((( attr rmsd < 0.959) and (attr rmsd > 0.859)) and bondedto(attr rmsd < 56.936 and attr rmsd > 55.936)) ( attr rmsd < 2.123 and attr rmsd > 2.023) 6 6 0 peak 14243 ppm1 0.909 ppm2 2.073 volume 0.6995 assi ((( attr rmsd < 0.959) and (attr rmsd > 0.859)) and bondedto(attr rmsd < 9.416 and attr rmsd > 8.416)) ( attr rmsd < 2.123 and attr rmsd > 2.023) 6 6 0 peak 24243 ppm1 0.909 ppm2 2.073 volume 0.6995 assi ((( attr rmsd < 4.884) and (attr rmsd > 4.784)) and bondedto(attr rmsd < 33.233 and attr rmsd > 32.233)) ( attr rmsd < 4.943 and attr rmsd > 4.843) 6 6 0 peak 4244 ppm1 4.834 ppm2 4.893 volume 0.8045 assi ((( attr rmsd < 4.758) and (attr rmsd > 4.658)) and bondedto(attr rmsd < 33.140 and attr rmsd > 32.140)) ( attr rmsd < 4.946 and attr rmsd > 4.846) 6 6 0 peak 4245 ppm1 4.708 ppm2 4.896 volume 0.4568 assi ((( attr rmsd < 4.684) and (attr rmsd > 4.584)) and bondedto(attr rmsd < 33.180 and attr rmsd > 32.180)) ( attr rmsd < 0.315 and attr rmsd > 0.215) 6 6 0 peak 4246 ppm1 4.634 ppm2 0.265 volume 0.1566 assi ((( attr rmsd < 4.149) and (attr rmsd > 4.049)) and bondedto(attr rmsd < 33.187 and attr rmsd > 32.187)) ( attr rmsd < 2.117 and attr rmsd > 2.017) 6 6 0 peak 4247 ppm1 4.099 ppm2 2.067 volume 0.3716 assi ((( attr rmsd < 3.645) and (attr rmsd > 3.545)) and bondedto(attr rmsd < 33.269 and attr rmsd > 32.269)) ( attr rmsd < 3.727 and attr rmsd > 3.627) 6 6 0 peak 4248 ppm1 3.595 ppm2 3.677 volume 0.1536 assi ((( attr rmsd < 2.168) and (attr rmsd > 2.068)) and bondedto(attr rmsd < 33.170 and attr rmsd > 32.170)) ( attr rmsd < 4.501 and attr rmsd > 4.401) 6 6 0 peak 4249 ppm1 2.118 ppm2 4.451 volume 0.4637 assi ((( attr rmsd < 2.171) and (attr rmsd > 2.071)) and bondedto(attr rmsd < 33.179 and attr rmsd > 32.179)) ( attr rmsd < 3.802 and attr rmsd > 3.702) 6 6 0 peak 4250 ppm1 2.121 ppm2 3.752 volume 0.2716 assi ((( attr rmsd < 2.166) and (attr rmsd > 2.066)) and bondedto(attr rmsd < 33.161 and attr rmsd > 32.161)) ( attr rmsd < 1.050 and attr rmsd > 0.950) 6 6 0 peak 4251 ppm1 2.116 ppm2 1.000 volume 1.4623 assi ((( attr rmsd < 2.156) and (attr rmsd > 2.056)) and bondedto(attr rmsd < 33.120 and attr rmsd > 32.120)) ( attr rmsd < 3.928 and attr rmsd > 3.828) 6 6 0 peak 4252 ppm1 2.106 ppm2 3.878 volume 0.1974 assi ((( attr rmsd < 2.112) and (attr rmsd > 2.012)) and bondedto(attr rmsd < 33.184 and attr rmsd > 32.184)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 4253 ppm1 2.062 ppm2 4.104 volume 0.2918 assi ((( attr rmsd < 2.113) and (attr rmsd > 2.013)) and bondedto(attr rmsd < 33.195 and attr rmsd > 32.195)) ( attr rmsd < 2.114 and attr rmsd > 2.014) 6 6 0 peak 4254 ppm1 2.063 ppm2 2.064 volume 19.7173 assi ((( attr rmsd < 1.888) and (attr rmsd > 1.788)) and bondedto(attr rmsd < 33.225 and attr rmsd > 32.225)) ( attr rmsd < 1.522 and attr rmsd > 1.422) 6 6 0 peak 4255 ppm1 1.838 ppm2 1.472 volume 0.8027 assi ((( attr rmsd < 1.872) and (attr rmsd > 1.772)) and bondedto(attr rmsd < 33.185 and attr rmsd > 32.185)) ( attr rmsd < 3.179 and attr rmsd > 3.079) 6 6 0 peak 4256 ppm1 1.822 ppm2 3.129 volume 0.2609 assi ((( attr rmsd < 1.871) and (attr rmsd > 1.771)) and bondedto(attr rmsd < 33.124 and attr rmsd > 32.124)) ( attr rmsd < 1.674 and attr rmsd > 1.574) 6 6 0 peak 4257 ppm1 1.821 ppm2 1.624 volume 0.5770 assi ((( attr rmsd < 1.794) and (attr rmsd > 1.694)) and bondedto(attr rmsd < 33.262 and attr rmsd > 32.262)) ( attr rmsd < 1.803 and attr rmsd > 1.703) 6 6 0 peak 4258 ppm1 1.744 ppm2 1.753 volume 17.5054 assi ((( attr rmsd < 1.792) and (attr rmsd > 1.692)) and bondedto(attr rmsd < 33.281 and attr rmsd > 32.281)) ( attr rmsd < 1.447 and attr rmsd > 1.347) 6 6 0 peak 4259 ppm1 1.742 ppm2 1.397 volume 0.6274 assi ((( attr rmsd < 1.686) and (attr rmsd > 1.586)) and bondedto(attr rmsd < 33.160 and attr rmsd > 32.160)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 4260 ppm1 1.636 ppm2 3.128 volume 0.3037 assi ((( attr rmsd < 1.690) and (attr rmsd > 1.590)) and bondedto(attr rmsd < 33.201 and attr rmsd > 32.201)) ( attr rmsd < 1.877 and attr rmsd > 1.777) 6 6 0 peak 4261 ppm1 1.640 ppm2 1.827 volume 0.7480 assi ((( attr rmsd < 1.687) and (attr rmsd > 1.587)) and bondedto(attr rmsd < 33.223 and attr rmsd > 32.223)) ( attr rmsd < 1.508 and attr rmsd > 1.408) 6 6 0 peak 4262 ppm1 1.637 ppm2 1.458 volume 0.2370 assi ((( attr rmsd < 1.522) and (attr rmsd > 1.422)) and bondedto(attr rmsd < 33.244 and attr rmsd > 32.244)) ( attr rmsd < 1.892 and attr rmsd > 1.792) 6 6 0 peak 4263 ppm1 1.472 ppm2 1.842 volume 0.1735 assi ((( attr rmsd < 1.078) and (attr rmsd > 0.978)) and bondedto(attr rmsd < 33.200 and attr rmsd > 32.200)) ( attr rmsd < 2.194 and attr rmsd > 2.094) 6 6 0 peak 4264 ppm1 1.028 ppm2 2.144 volume 0.1918 assi ((( attr rmsd < 1.004) and (attr rmsd > 0.904)) and bondedto(attr rmsd < 33.176 and attr rmsd > 32.176)) ( attr rmsd < 2.128 and attr rmsd > 2.028) 6 6 0 peak 4265 ppm1 0.954 ppm2 2.078 volume 1.8923 assi ((( attr rmsd < 4.681) and (attr rmsd > 4.581)) and bondedto(attr rmsd < 56.833 and attr rmsd > 55.833)) ( attr rmsd < 4.975 and attr rmsd > 4.875) 6 6 0 peak 14266 ppm1 4.631 ppm2 4.925 volume 0.5344 assi ((( attr rmsd < 4.681) and (attr rmsd > 4.581)) and bondedto(attr rmsd < 9.313 and attr rmsd > 8.313)) ( attr rmsd < 4.975 and attr rmsd > 4.875) 6 6 0 peak 24266 ppm1 4.631 ppm2 4.925 volume 0.5344 assi ((( attr rmsd < 4.366) and (attr rmsd > 4.266)) and bondedto(attr rmsd < 56.757 and attr rmsd > 55.757)) ( attr rmsd < 2.071 and attr rmsd > 1.971) 6 6 0 peak 14267 ppm1 4.316 ppm2 2.021 volume 0.4320 assi ((( attr rmsd < 4.366) and (attr rmsd > 4.266)) and bondedto(attr rmsd < 9.237 and attr rmsd > 8.237)) ( attr rmsd < 2.071 and attr rmsd > 1.971) 6 6 0 peak 24267 ppm1 4.316 ppm2 2.021 volume 0.4320 assi ((( attr rmsd < 4.302) and (attr rmsd > 4.202)) and bondedto(attr rmsd < 56.843 and attr rmsd > 55.843)) ( attr rmsd < 2.259 and attr rmsd > 2.159) 6 6 0 peak 14268 ppm1 4.252 ppm2 2.209 volume 0.1668 assi ((( attr rmsd < 4.302) and (attr rmsd > 4.202)) and bondedto(attr rmsd < 9.323 and attr rmsd > 8.323)) ( attr rmsd < 2.259 and attr rmsd > 2.159) 6 6 0 peak 24268 ppm1 4.252 ppm2 2.209 volume 0.1668 assi ((( attr rmsd < 4.100) and (attr rmsd > 4.000)) and bondedto(attr rmsd < 56.858 and attr rmsd > 55.858)) ( attr rmsd < 2.112 and attr rmsd > 2.012) 6 6 0 peak 14269 ppm1 4.050 ppm2 2.062 volume 0.2109 assi ((( attr rmsd < 4.100) and (attr rmsd > 4.000)) and bondedto(attr rmsd < 9.338 and attr rmsd > 8.338)) ( attr rmsd < 2.112 and attr rmsd > 2.012) 6 6 0 peak 24269 ppm1 4.050 ppm2 2.062 volume 0.2109 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 56.797 and attr rmsd > 55.797)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 14270 ppm1 3.580 ppm2 3.598 volume 0.2710 assi ((( attr rmsd < 3.630) and (attr rmsd > 3.530)) and bondedto(attr rmsd < 9.277 and attr rmsd > 8.277)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 24270 ppm1 3.580 ppm2 3.598 volume 0.2710 assi ((( attr rmsd < 0.939) and (attr rmsd > 0.839)) and bondedto(attr rmsd < 56.733 and attr rmsd > 55.733)) ( attr rmsd < 0.944 and attr rmsd > 0.844) 6 6 0 peak 14271 ppm1 0.889 ppm2 0.894 volume 0.3849 assi ((( attr rmsd < 0.939) and (attr rmsd > 0.839)) and bondedto(attr rmsd < 9.213 and attr rmsd > 8.213)) ( attr rmsd < 0.944 and attr rmsd > 0.844) 6 6 0 peak 24271 ppm1 0.889 ppm2 0.894 volume 0.3849 assi ((( attr rmsd < 5.051) and (attr rmsd > 4.951)) and bondedto(attr rmsd < 33.019 and attr rmsd > 32.019)) ( attr rmsd < 4.949 and attr rmsd > 4.849) 6 6 0 peak 4272 ppm1 5.001 ppm2 4.899 volume 0.3387 assi ((( attr rmsd < 5.028) and (attr rmsd > 4.928)) and bondedto(attr rmsd < 33.048 and attr rmsd > 32.048)) ( attr rmsd < 4.948 and attr rmsd > 4.848) 6 6 0 peak 4273 ppm1 4.978 ppm2 4.898 volume 0.3696 assi ((( attr rmsd < 4.887) and (attr rmsd > 4.787)) and bondedto(attr rmsd < 33.036 and attr rmsd > 32.036)) ( attr rmsd < 3.138 and attr rmsd > 3.038) 6 6 0 peak 4274 ppm1 4.837 ppm2 3.088 volume 0.1618 assi ((( attr rmsd < 4.680) and (attr rmsd > 4.580)) and bondedto(attr rmsd < 32.937 and attr rmsd > 31.937)) ( attr rmsd < 4.573 and attr rmsd > 4.473) 6 6 0 peak 4275 ppm1 4.630 ppm2 4.523 volume 0.7375 assi ((( attr rmsd < 4.552) and (attr rmsd > 4.452)) and bondedto(attr rmsd < 33.020 and attr rmsd > 32.020)) ( attr rmsd < 4.549 and attr rmsd > 4.449) 6 6 0 peak 4276 ppm1 4.502 ppm2 4.499 volume 0.5919 assi ((( attr rmsd < 3.158) and (attr rmsd > 3.058)) and bondedto(attr rmsd < 32.939 and attr rmsd > 31.939)) ( attr rmsd < 3.150 and attr rmsd > 3.050) 6 6 0 peak 4277 ppm1 3.108 ppm2 3.100 volume 0.3007 assi ((( attr rmsd < 1.939) and (attr rmsd > 1.839)) and bondedto(attr rmsd < 32.944 and attr rmsd > 31.944)) ( attr rmsd < 4.284 and attr rmsd > 4.184) 6 6 0 peak 4278 ppm1 1.889 ppm2 4.234 volume 0.3023 assi ((( attr rmsd < 1.873) and (attr rmsd > 1.773)) and bondedto(attr rmsd < 33.017 and attr rmsd > 32.017)) ( attr rmsd < 4.723 and attr rmsd > 4.623) 6 6 0 peak 4279 ppm1 1.823 ppm2 4.673 volume 0.3590 assi ((( attr rmsd < 1.666) and (attr rmsd > 1.566)) and bondedto(attr rmsd < 32.944 and attr rmsd > 31.944)) ( attr rmsd < 4.701 and attr rmsd > 4.601) 6 6 0 peak 4280 ppm1 1.616 ppm2 4.651 volume 0.6397 assi ((( attr rmsd < 1.668) and (attr rmsd > 1.568)) and bondedto(attr rmsd < 32.978 and attr rmsd > 31.978)) ( attr rmsd < 1.670 and attr rmsd > 1.570) 6 6 0 peak 4281 ppm1 1.618 ppm2 1.620 volume 2.4340 assi ((( attr rmsd < 4.877) and (attr rmsd > 4.777)) and bondedto(attr rmsd < 56.648 and attr rmsd > 55.648)) ( attr rmsd < 4.835 and attr rmsd > 4.735) 6 6 0 peak 14282 ppm1 4.827 ppm2 4.785 volume 0.6389 assi ((( attr rmsd < 4.877) and (attr rmsd > 4.777)) and bondedto(attr rmsd < 9.128 and attr rmsd > 8.128)) ( attr rmsd < 4.835 and attr rmsd > 4.735) 6 6 0 peak 24282 ppm1 4.827 ppm2 4.785 volume 0.6389 assi ((( attr rmsd < 4.823) and (attr rmsd > 4.723)) and bondedto(attr rmsd < 56.609 and attr rmsd > 55.609)) ( attr rmsd < 4.830 and attr rmsd > 4.730) 6 6 0 peak 14283 ppm1 4.773 ppm2 4.780 volume 0.4809 assi ((( attr rmsd < 4.823) and (attr rmsd > 4.723)) and bondedto(attr rmsd < 9.089 and attr rmsd > 8.089)) ( attr rmsd < 4.830 and attr rmsd > 4.730) 6 6 0 peak 24283 ppm1 4.773 ppm2 4.780 volume 0.4809 assi ((( attr rmsd < 4.792) and (attr rmsd > 4.692)) and bondedto(attr rmsd < 56.661 and attr rmsd > 55.661)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 14284 ppm1 4.742 ppm2 4.618 volume 0.6267 assi ((( attr rmsd < 4.792) and (attr rmsd > 4.692)) and bondedto(attr rmsd < 9.141 and attr rmsd > 8.141)) ( attr rmsd < 4.668 and attr rmsd > 4.568) 6 6 0 peak 24284 ppm1 4.742 ppm2 4.618 volume 0.6267 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 56.594 and attr rmsd > 55.594)) ( attr rmsd < 4.736 and attr rmsd > 4.636) 6 6 0 peak 14285 ppm1 4.676 ppm2 4.686 volume 13.4195 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 9.074 and attr rmsd > 8.074)) ( attr rmsd < 4.736 and attr rmsd > 4.636) 6 6 0 peak 24285 ppm1 4.676 ppm2 4.686 volume 13.4195 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 56.629 and attr rmsd > 55.629)) ( attr rmsd < 4.836 and attr rmsd > 4.736) 6 6 0 peak 14286 ppm1 4.614 ppm2 4.786 volume 1.1719 assi ((( attr rmsd < 4.664) and (attr rmsd > 4.564)) and bondedto(attr rmsd < 9.109 and attr rmsd > 8.109)) ( attr rmsd < 4.836 and attr rmsd > 4.736) 6 6 0 peak 24286 ppm1 4.614 ppm2 4.786 volume 1.1719 assi ((( attr rmsd < 4.669) and (attr rmsd > 4.569)) and bondedto(attr rmsd < 56.667 and attr rmsd > 55.667)) ( attr rmsd < 4.665 and attr rmsd > 4.565) 6 6 0 peak 14287 ppm1 4.619 ppm2 4.615 volume 10.0399 assi ((( attr rmsd < 4.669) and (attr rmsd > 4.569)) and bondedto(attr rmsd < 9.147 and attr rmsd > 8.147)) ( attr rmsd < 4.665 and attr rmsd > 4.565) 6 6 0 peak 24287 ppm1 4.619 ppm2 4.615 volume 10.0399 assi ((( attr rmsd < 4.666) and (attr rmsd > 4.566)) and bondedto(attr rmsd < 56.563 and attr rmsd > 55.563)) ( attr rmsd < 3.171 and attr rmsd > 3.071) 6 6 0 peak 14288 ppm1 4.616 ppm2 3.121 volume 0.7624 assi ((( attr rmsd < 4.666) and (attr rmsd > 4.566)) and bondedto(attr rmsd < 9.043 and attr rmsd > 8.043)) ( attr rmsd < 3.171 and attr rmsd > 3.071) 6 6 0 peak 24288 ppm1 4.616 ppm2 3.121 volume 0.7624 assi ((( attr rmsd < 4.518) and (attr rmsd > 4.418)) and bondedto(attr rmsd < 56.628 and attr rmsd > 55.628)) ( attr rmsd < 4.847 and attr rmsd > 4.747) 6 6 0 peak 14289 ppm1 4.468 ppm2 4.797 volume 0.1943 assi ((( attr rmsd < 4.518) and (attr rmsd > 4.418)) and bondedto(attr rmsd < 9.108 and attr rmsd > 8.108)) ( attr rmsd < 4.847 and attr rmsd > 4.747) 6 6 0 peak 24289 ppm1 4.468 ppm2 4.797 volume 0.1943 assi ((( attr rmsd < 4.380) and (attr rmsd > 4.280)) and bondedto(attr rmsd < 56.507 and attr rmsd > 55.507)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 14290 ppm1 4.330 ppm2 4.779 volume 1.8662 assi ((( attr rmsd < 4.380) and (attr rmsd > 4.280)) and bondedto(attr rmsd < 8.987 and attr rmsd > 7.987)) ( attr rmsd < 4.829 and attr rmsd > 4.729) 6 6 0 peak 24290 ppm1 4.330 ppm2 4.779 volume 1.8662 assi ((( attr rmsd < 4.384) and (attr rmsd > 4.284)) and bondedto(attr rmsd < 56.625 and attr rmsd > 55.625)) ( attr rmsd < 4.579 and attr rmsd > 4.479) 6 6 0 peak 14291 ppm1 4.334 ppm2 4.529 volume 0.2922 assi ((( attr rmsd < 4.384) and (attr rmsd > 4.284)) and bondedto(attr rmsd < 9.105 and attr rmsd > 8.105)) ( attr rmsd < 4.579 and attr rmsd > 4.479) 6 6 0 peak 24291 ppm1 4.334 ppm2 4.529 volume 0.2922 assi ((( attr rmsd < 4.104) and (attr rmsd > 4.004)) and bondedto(attr rmsd < 56.556 and attr rmsd > 55.556)) ( attr rmsd < 4.107 and attr rmsd > 4.007) 6 6 0 peak 14292 ppm1 4.054 ppm2 4.057 volume 0.3298 assi ((( attr rmsd < 4.104) and (attr rmsd > 4.004)) and bondedto(attr rmsd < 9.036 and attr rmsd > 8.036)) ( attr rmsd < 4.107 and attr rmsd > 4.007) 6 6 0 peak 24292 ppm1 4.054 ppm2 4.057 volume 0.3298 assi ((( attr rmsd < 3.787) and (attr rmsd > 3.687)) and bondedto(attr rmsd < 56.639 and attr rmsd > 55.639)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 14293 ppm1 3.737 ppm2 3.598 volume 0.1654 assi ((( attr rmsd < 3.787) and (attr rmsd > 3.687)) and bondedto(attr rmsd < 9.119 and attr rmsd > 8.119)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 24293 ppm1 3.737 ppm2 3.598 volume 0.1654 assi ((( attr rmsd < 3.662) and (attr rmsd > 3.562)) and bondedto(attr rmsd < 56.625 and attr rmsd > 55.625)) ( attr rmsd < 3.744 and attr rmsd > 3.644) 6 6 0 peak 14294 ppm1 3.612 ppm2 3.694 volume 0.2386 assi ((( attr rmsd < 3.662) and (attr rmsd > 3.562)) and bondedto(attr rmsd < 9.105 and attr rmsd > 8.105)) ( attr rmsd < 3.744 and attr rmsd > 3.644) 6 6 0 peak 24294 ppm1 3.612 ppm2 3.694 volume 0.2386 assi ((( attr rmsd < 3.605) and (attr rmsd > 3.505)) and bondedto(attr rmsd < 56.622 and attr rmsd > 55.622)) ( attr rmsd < 3.729 and attr rmsd > 3.629) 6 6 0 peak 14295 ppm1 3.555 ppm2 3.679 volume 0.2665 assi ((( attr rmsd < 3.605) and (attr rmsd > 3.505)) and bondedto(attr rmsd < 9.102 and attr rmsd > 8.102)) ( attr rmsd < 3.729 and attr rmsd > 3.629) 6 6 0 peak 24295 ppm1 3.555 ppm2 3.679 volume 0.2665 assi ((( attr rmsd < 2.031) and (attr rmsd > 1.931)) and bondedto(attr rmsd < 56.531 and attr rmsd > 55.531)) ( attr rmsd < 1.403 and attr rmsd > 1.303) 6 6 0 peak 14296 ppm1 1.981 ppm2 1.353 volume 0.2748 assi ((( attr rmsd < 2.031) and (attr rmsd > 1.931)) and bondedto(attr rmsd < 9.011 and attr rmsd > 8.011)) ( attr rmsd < 1.403 and attr rmsd > 1.303) 6 6 0 peak 24296 ppm1 1.981 ppm2 1.353 volume 0.2748 assi ((( attr rmsd < 1.535) and (attr rmsd > 1.435)) and bondedto(attr rmsd < 56.603 and attr rmsd > 55.603)) ( attr rmsd < 1.541 and attr rmsd > 1.441) 6 6 0 peak 14297 ppm1 1.485 ppm2 1.491 volume 0.1540 assi ((( attr rmsd < 1.535) and (attr rmsd > 1.435)) and bondedto(attr rmsd < 9.083 and attr rmsd > 8.083)) ( attr rmsd < 1.541 and attr rmsd > 1.441) 6 6 0 peak 24297 ppm1 1.485 ppm2 1.491 volume 0.1540 assi ((( attr rmsd < 1.246) and (attr rmsd > 1.146)) and bondedto(attr rmsd < 56.507 and attr rmsd > 55.507)) ( attr rmsd < 1.250 and attr rmsd > 1.150) 6 6 0 peak 14298 ppm1 1.196 ppm2 1.200 volume 0.1559 assi ((( attr rmsd < 1.246) and (attr rmsd > 1.146)) and bondedto(attr rmsd < 8.987 and attr rmsd > 7.987)) ( attr rmsd < 1.250 and attr rmsd > 1.150) 6 6 0 peak 24298 ppm1 1.196 ppm2 1.200 volume 0.1559 assi ((( attr rmsd < 0.973) and (attr rmsd > 0.873)) and bondedto(attr rmsd < 56.592 and attr rmsd > 55.592)) ( attr rmsd < 0.989 and attr rmsd > 0.889) 6 6 0 peak 14299 ppm1 0.923 ppm2 0.939 volume 0.4252 assi ((( attr rmsd < 0.973) and (attr rmsd > 0.873)) and bondedto(attr rmsd < 9.072 and attr rmsd > 8.072)) ( attr rmsd < 0.989 and attr rmsd > 0.889) 6 6 0 peak 24299 ppm1 0.923 ppm2 0.939 volume 0.4252 assi ((( attr rmsd < 5.155) and (attr rmsd > 5.055)) and bondedto(attr rmsd < 32.815 and attr rmsd > 31.815)) ( attr rmsd < 5.125 and attr rmsd > 5.025) 6 6 0 peak 4300 ppm1 5.105 ppm2 5.075 volume 0.1657 assi ((( attr rmsd < 4.892) and (attr rmsd > 4.792)) and bondedto(attr rmsd < 32.851 and attr rmsd > 31.851)) ( attr rmsd < 4.732 and attr rmsd > 4.632) 6 6 0 peak 4301 ppm1 4.842 ppm2 4.682 volume 3.1591 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 32.883 and attr rmsd > 31.883)) ( attr rmsd < 4.708 and attr rmsd > 4.608) 6 6 0 peak 4302 ppm1 4.710 ppm2 4.658 volume 5.8049 assi ((( attr rmsd < 4.751) and (attr rmsd > 4.651)) and bondedto(attr rmsd < 32.780 and attr rmsd > 31.780)) ( attr rmsd < 3.163 and attr rmsd > 3.063) 6 6 0 peak 4303 ppm1 4.701 ppm2 3.113 volume 0.2115 assi ((( attr rmsd < 4.593) and (attr rmsd > 4.493)) and bondedto(attr rmsd < 32.849 and attr rmsd > 31.849)) ( attr rmsd < 4.724 and attr rmsd > 4.624) 6 6 0 peak 4304 ppm1 4.543 ppm2 4.674 volume 2.6982 assi ((( attr rmsd < 4.383) and (attr rmsd > 4.283)) and bondedto(attr rmsd < 32.886 and attr rmsd > 31.886)) ( attr rmsd < 2.881 and attr rmsd > 2.781) 6 6 0 peak 4305 ppm1 4.333 ppm2 2.831 volume 0.1907 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 32.892 and attr rmsd > 31.892)) ( attr rmsd < 3.871 and attr rmsd > 3.771) 6 6 0 peak 4306 ppm1 3.810 ppm2 3.821 volume 0.4850 assi ((( attr rmsd < 3.725) and (attr rmsd > 3.625)) and bondedto(attr rmsd < 32.809 and attr rmsd > 31.809)) ( attr rmsd < 3.724 and attr rmsd > 3.624) 6 6 0 peak 4307 ppm1 3.675 ppm2 3.674 volume 1.0101 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 32.870 and attr rmsd > 31.870)) ( attr rmsd < 3.653 and attr rmsd > 3.553) 6 6 0 peak 4308 ppm1 3.677 ppm2 3.603 volume 1.1042 assi ((( attr rmsd < 3.666) and (attr rmsd > 3.566)) and bondedto(attr rmsd < 32.866 and attr rmsd > 31.866)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 4309 ppm1 3.616 ppm2 3.591 volume 0.4722 assi ((( attr rmsd < 3.598) and (attr rmsd > 3.498)) and bondedto(attr rmsd < 32.858 and attr rmsd > 31.858)) ( attr rmsd < 3.632 and attr rmsd > 3.532) 6 6 0 peak 4310 ppm1 3.548 ppm2 3.582 volume 0.1503 assi ((( attr rmsd < 3.239) and (attr rmsd > 3.139)) and bondedto(attr rmsd < 32.780 and attr rmsd > 31.780)) ( attr rmsd < 3.245 and attr rmsd > 3.145) 6 6 0 peak 4311 ppm1 3.189 ppm2 3.195 volume 0.2454 assi ((( attr rmsd < 3.106) and (attr rmsd > 3.006)) and bondedto(attr rmsd < 32.849 and attr rmsd > 31.849)) ( attr rmsd < 4.729 and attr rmsd > 4.629) 6 6 0 peak 4312 ppm1 3.056 ppm2 4.679 volume 0.4232 assi ((( attr rmsd < 2.485) and (attr rmsd > 2.385)) and bondedto(attr rmsd < 32.884 and attr rmsd > 31.884)) ( attr rmsd < 4.225 and attr rmsd > 4.125) 6 6 0 peak 4313 ppm1 2.435 ppm2 4.175 volume 1.0168 assi ((( attr rmsd < 2.488) and (attr rmsd > 2.388)) and bondedto(attr rmsd < 32.916 and attr rmsd > 31.916)) ( attr rmsd < 4.026 and attr rmsd > 3.926) 6 6 0 peak 4314 ppm1 2.438 ppm2 3.976 volume 0.1824 assi ((( attr rmsd < 2.482) and (attr rmsd > 2.382)) and bondedto(attr rmsd < 32.880 and attr rmsd > 31.880)) ( attr rmsd < 3.873 and attr rmsd > 3.773) 6 6 0 peak 4315 ppm1 2.432 ppm2 3.823 volume 0.1980 assi ((( attr rmsd < 2.060) and (attr rmsd > 1.960)) and bondedto(attr rmsd < 32.878 and attr rmsd > 31.878)) ( attr rmsd < 4.691 and attr rmsd > 4.591) 6 6 0 peak 4316 ppm1 2.010 ppm2 4.641 volume 0.6610 assi ((( attr rmsd < 2.056) and (attr rmsd > 1.956)) and bondedto(attr rmsd < 32.855 and attr rmsd > 31.855)) ( attr rmsd < 1.660 and attr rmsd > 1.560) 6 6 0 peak 4317 ppm1 2.006 ppm2 1.610 volume 1.0373 assi ((( attr rmsd < 1.943) and (attr rmsd > 1.843)) and bondedto(attr rmsd < 32.791 and attr rmsd > 31.791)) ( attr rmsd < 4.381 and attr rmsd > 4.281) 6 6 0 peak 4318 ppm1 1.893 ppm2 4.331 volume 0.3813 assi ((( attr rmsd < 1.942) and (attr rmsd > 1.842)) and bondedto(attr rmsd < 32.798 and attr rmsd > 31.798)) ( attr rmsd < 3.976 and attr rmsd > 3.876) 6 6 0 peak 4319 ppm1 1.892 ppm2 3.926 volume 0.3663 assi ((( attr rmsd < 1.771) and (attr rmsd > 1.671)) and bondedto(attr rmsd < 32.747 and attr rmsd > 31.747)) ( attr rmsd < 4.389 and attr rmsd > 4.289) 6 6 0 peak 4320 ppm1 1.721 ppm2 4.339 volume 0.3224 assi ((( attr rmsd < 1.663) and (attr rmsd > 1.563)) and bondedto(attr rmsd < 32.920 and attr rmsd > 31.920)) ( attr rmsd < 3.802 and attr rmsd > 3.702) 6 6 0 peak 4321 ppm1 1.613 ppm2 3.752 volume 0.1648 assi ((( attr rmsd < 1.656) and (attr rmsd > 1.556)) and bondedto(attr rmsd < 32.832 and attr rmsd > 31.832)) ( attr rmsd < 3.935 and attr rmsd > 3.835) 6 6 0 peak 4322 ppm1 1.606 ppm2 3.885 volume 0.1493 assi ((( attr rmsd < 1.656) and (attr rmsd > 1.556)) and bondedto(attr rmsd < 32.877 and attr rmsd > 31.877)) ( attr rmsd < 2.054 and attr rmsd > 1.954) 6 6 0 peak 4323 ppm1 1.606 ppm2 2.004 volume 1.8743 assi ((( attr rmsd < 1.659) and (attr rmsd > 1.559)) and bondedto(attr rmsd < 32.890 and attr rmsd > 31.890)) ( attr rmsd < 0.593 and attr rmsd > 0.493) 6 6 0 peak 4324 ppm1 1.609 ppm2 0.543 volume 0.2542 assi ((( attr rmsd < 4.622) and (attr rmsd > 4.522)) and bondedto(attr rmsd < 56.409 and attr rmsd > 55.409)) ( attr rmsd < 2.056 and attr rmsd > 1.956) 6 6 0 peak 14325 ppm1 4.572 ppm2 2.006 volume 0.1993 assi ((( attr rmsd < 4.622) and (attr rmsd > 4.522)) and bondedto(attr rmsd < 8.889 and attr rmsd > 7.889)) ( attr rmsd < 2.056 and attr rmsd > 1.956) 6 6 0 peak 24325 ppm1 4.572 ppm2 2.006 volume 0.1993 assi ((( attr rmsd < 4.410) and (attr rmsd > 4.310)) and bondedto(attr rmsd < 56.382 and attr rmsd > 55.382)) ( attr rmsd < 2.542 and attr rmsd > 2.442) 6 6 0 peak 14326 ppm1 4.360 ppm2 2.492 volume 0.4765 assi ((( attr rmsd < 4.410) and (attr rmsd > 4.310)) and bondedto(attr rmsd < 8.862 and attr rmsd > 7.862)) ( attr rmsd < 2.542 and attr rmsd > 2.442) 6 6 0 peak 24326 ppm1 4.360 ppm2 2.492 volume 0.4765 assi ((( attr rmsd < 4.385) and (attr rmsd > 4.285)) and bondedto(attr rmsd < 56.476 and attr rmsd > 55.476)) ( attr rmsd < 4.389 and attr rmsd > 4.289) 6 6 0 peak 14327 ppm1 4.335 ppm2 4.339 volume 38.8404 assi ((( attr rmsd < 4.385) and (attr rmsd > 4.285)) and bondedto(attr rmsd < 8.956 and attr rmsd > 7.956)) ( attr rmsd < 4.389 and attr rmsd > 4.289) 6 6 0 peak 24327 ppm1 4.335 ppm2 4.339 volume 38.8404 assi ((( attr rmsd < 4.385) and (attr rmsd > 4.285)) and bondedto(attr rmsd < 56.415 and attr rmsd > 55.415)) ( attr rmsd < 1.879 and attr rmsd > 1.779) 6 6 0 peak 14328 ppm1 4.335 ppm2 1.829 volume 0.6564 assi ((( attr rmsd < 4.385) and (attr rmsd > 4.285)) and bondedto(attr rmsd < 8.895 and attr rmsd > 7.895)) ( attr rmsd < 1.879 and attr rmsd > 1.779) 6 6 0 peak 24328 ppm1 4.335 ppm2 1.829 volume 0.6564 assi ((( attr rmsd < 2.037) and (attr rmsd > 1.937)) and bondedto(attr rmsd < 56.444 and attr rmsd > 55.444)) ( attr rmsd < 1.344 and attr rmsd > 1.244) 6 6 0 peak 14329 ppm1 1.987 ppm2 1.294 volume 0.2616 assi ((( attr rmsd < 2.037) and (attr rmsd > 1.937)) and bondedto(attr rmsd < 8.924 and attr rmsd > 7.924)) ( attr rmsd < 1.344 and attr rmsd > 1.244) 6 6 0 peak 24329 ppm1 1.987 ppm2 1.294 volume 0.2616 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 56.477 and attr rmsd > 55.477)) ( attr rmsd < 0.678 and attr rmsd > 0.578) 6 6 0 peak 14330 ppm1 1.980 ppm2 0.628 volume 0.2282 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 8.957 and attr rmsd > 7.957)) ( attr rmsd < 0.678 and attr rmsd > 0.578) 6 6 0 peak 24330 ppm1 1.980 ppm2 0.628 volume 0.2282 assi ((( attr rmsd < 2.022) and (attr rmsd > 1.922)) and bondedto(attr rmsd < 56.484 and attr rmsd > 55.484)) ( attr rmsd < 1.097 and attr rmsd > 0.997) 6 6 0 peak 14331 ppm1 1.972 ppm2 1.047 volume 0.2239 assi ((( attr rmsd < 2.022) and (attr rmsd > 1.922)) and bondedto(attr rmsd < 8.964 and attr rmsd > 7.964)) ( attr rmsd < 1.097 and attr rmsd > 0.997) 6 6 0 peak 24331 ppm1 1.972 ppm2 1.047 volume 0.2239 assi ((( attr rmsd < 1.830) and (attr rmsd > 1.730)) and bondedto(attr rmsd < 56.419 and attr rmsd > 55.419)) ( attr rmsd < 4.385 and attr rmsd > 4.285) 6 6 0 peak 14332 ppm1 1.780 ppm2 4.335 volume 0.2016 assi ((( attr rmsd < 1.830) and (attr rmsd > 1.730)) and bondedto(attr rmsd < 8.899 and attr rmsd > 7.899)) ( attr rmsd < 4.385 and attr rmsd > 4.285) 6 6 0 peak 24332 ppm1 1.780 ppm2 4.335 volume 0.2016 assi ((( attr rmsd < 0.890) and (attr rmsd > 0.790)) and bondedto(attr rmsd < 56.445 and attr rmsd > 55.445)) ( attr rmsd < 0.897 and attr rmsd > 0.797) 6 6 0 peak 14333 ppm1 0.840 ppm2 0.847 volume 0.3268 assi ((( attr rmsd < 0.890) and (attr rmsd > 0.790)) and bondedto(attr rmsd < 8.925 and attr rmsd > 7.925)) ( attr rmsd < 0.897 and attr rmsd > 0.797) 6 6 0 peak 24333 ppm1 0.840 ppm2 0.847 volume 0.3268 assi ((( attr rmsd < 0.790) and (attr rmsd > 0.690)) and bondedto(attr rmsd < 56.473 and attr rmsd > 55.473)) ( attr rmsd < 0.803 and attr rmsd > 0.703) 6 6 0 peak 14334 ppm1 0.740 ppm2 0.753 volume 0.1777 assi ((( attr rmsd < 0.790) and (attr rmsd > 0.690)) and bondedto(attr rmsd < 8.953 and attr rmsd > 7.953)) ( attr rmsd < 0.803 and attr rmsd > 0.703) 6 6 0 peak 24334 ppm1 0.740 ppm2 0.753 volume 0.1777 assi ((( attr rmsd < 4.723) and (attr rmsd > 4.623)) and bondedto(attr rmsd < 32.718 and attr rmsd > 31.718)) ( attr rmsd < 4.396 and attr rmsd > 4.296) 6 6 0 peak 4335 ppm1 4.673 ppm2 4.346 volume 1.4143 assi ((( attr rmsd < 4.691) and (attr rmsd > 4.591)) and bondedto(attr rmsd < 32.722 and attr rmsd > 31.722)) ( attr rmsd < 4.393 and attr rmsd > 4.293) 6 6 0 peak 4336 ppm1 4.641 ppm2 4.343 volume 1.3319 assi ((( attr rmsd < 4.654) and (attr rmsd > 4.554)) and bondedto(attr rmsd < 32.712 and attr rmsd > 31.712)) ( attr rmsd < 4.394 and attr rmsd > 4.294) 6 6 0 peak 4337 ppm1 4.604 ppm2 4.344 volume 1.1468 assi ((( attr rmsd < 4.578) and (attr rmsd > 4.478)) and bondedto(attr rmsd < 32.654 and attr rmsd > 31.654)) ( attr rmsd < 4.391 and attr rmsd > 4.291) 6 6 0 peak 4338 ppm1 4.528 ppm2 4.341 volume 0.7328 assi ((( attr rmsd < 4.399) and (attr rmsd > 4.299)) and bondedto(attr rmsd < 32.637 and attr rmsd > 31.637)) ( attr rmsd < 4.295 and attr rmsd > 4.195) 6 6 0 peak 4339 ppm1 4.349 ppm2 4.245 volume 3.0056 assi ((( attr rmsd < 4.379) and (attr rmsd > 4.279)) and bondedto(attr rmsd < 32.733 and attr rmsd > 31.733)) ( attr rmsd < 3.916 and attr rmsd > 3.816) 6 6 0 peak 4340 ppm1 4.329 ppm2 3.866 volume 0.3620 assi ((( attr rmsd < 4.382) and (attr rmsd > 4.282)) and bondedto(attr rmsd < 32.708 and attr rmsd > 31.708)) ( attr rmsd < 3.851 and attr rmsd > 3.751) 6 6 0 peak 4341 ppm1 4.332 ppm2 3.801 volume 0.3525 assi ((( attr rmsd < 4.381) and (attr rmsd > 4.281)) and bondedto(attr rmsd < 32.684 and attr rmsd > 31.684)) ( attr rmsd < 3.526 and attr rmsd > 3.426) 6 6 0 peak 4342 ppm1 4.331 ppm2 3.476 volume 0.2356 assi ((( attr rmsd < 4.382) and (attr rmsd > 4.282)) and bondedto(attr rmsd < 32.741 and attr rmsd > 31.741)) ( attr rmsd < 3.387 and attr rmsd > 3.287) 6 6 0 peak 4343 ppm1 4.332 ppm2 3.337 volume 0.2022 assi ((( attr rmsd < 4.382) and (attr rmsd > 4.282)) and bondedto(attr rmsd < 32.705 and attr rmsd > 31.705)) ( attr rmsd < 3.195 and attr rmsd > 3.095) 6 6 0 peak 4344 ppm1 4.332 ppm2 3.145 volume 0.2219 assi ((( attr rmsd < 4.384) and (attr rmsd > 4.284)) and bondedto(attr rmsd < 32.637 and attr rmsd > 31.637)) ( attr rmsd < 2.744 and attr rmsd > 2.644) 6 6 0 peak 4345 ppm1 4.334 ppm2 2.694 volume 0.1503 assi ((( attr rmsd < 4.383) and (attr rmsd > 4.283)) and bondedto(attr rmsd < 32.686 and attr rmsd > 31.686)) ( attr rmsd < 1.360 and attr rmsd > 1.260) 6 6 0 peak 4346 ppm1 4.333 ppm2 1.310 volume 0.2424 assi ((( attr rmsd < 4.385) and (attr rmsd > 4.285)) and bondedto(attr rmsd < 32.716 and attr rmsd > 31.716)) ( attr rmsd < 1.157 and attr rmsd > 1.057) 6 6 0 peak 4347 ppm1 4.335 ppm2 1.107 volume 0.2339 assi ((( attr rmsd < 4.384) and (attr rmsd > 4.284)) and bondedto(attr rmsd < 32.723 and attr rmsd > 31.723)) ( attr rmsd < 1.114 and attr rmsd > 1.014) 6 6 0 peak 4348 ppm1 4.334 ppm2 1.064 volume 0.2370 assi ((( attr rmsd < 4.260) and (attr rmsd > 4.160)) and bondedto(attr rmsd < 32.707 and attr rmsd > 31.707)) ( attr rmsd < 4.395 and attr rmsd > 4.295) 6 6 0 peak 4349 ppm1 4.210 ppm2 4.345 volume 0.7697 assi ((( attr rmsd < 2.536) and (attr rmsd > 2.436)) and bondedto(attr rmsd < 32.589 and attr rmsd > 31.589)) ( attr rmsd < 3.982 and attr rmsd > 3.882) 6 6 0 peak 4350 ppm1 2.486 ppm2 3.932 volume 0.3153 assi ((( attr rmsd < 2.531) and (attr rmsd > 2.431)) and bondedto(attr rmsd < 32.597 and attr rmsd > 31.597)) ( attr rmsd < 2.074 and attr rmsd > 1.974) 6 6 0 peak 4351 ppm1 2.481 ppm2 2.024 volume 2.8786 assi ((( attr rmsd < 2.362) and (attr rmsd > 2.262)) and bondedto(attr rmsd < 32.617 and attr rmsd > 31.617)) ( attr rmsd < 4.398 and attr rmsd > 4.298) 6 6 0 peak 4352 ppm1 2.312 ppm2 4.348 volume 0.2919 assi ((( attr rmsd < 2.353) and (attr rmsd > 2.253)) and bondedto(attr rmsd < 32.625 and attr rmsd > 31.625)) ( attr rmsd < 1.892 and attr rmsd > 1.792) 6 6 0 peak 4353 ppm1 2.303 ppm2 1.842 volume 0.2926 assi ((( attr rmsd < 2.064) and (attr rmsd > 1.964)) and bondedto(attr rmsd < 32.556 and attr rmsd > 31.556)) ( attr rmsd < 4.588 and attr rmsd > 4.488) 6 6 0 peak 4354 ppm1 2.014 ppm2 4.538 volume 0.5425 assi ((( attr rmsd < 2.046) and (attr rmsd > 1.946)) and bondedto(attr rmsd < 32.686 and attr rmsd > 31.686)) ( attr rmsd < 3.977 and attr rmsd > 3.877) 6 6 0 peak 4355 ppm1 1.996 ppm2 3.927 volume 0.6553 assi ((( attr rmsd < 2.045) and (attr rmsd > 1.945)) and bondedto(attr rmsd < 32.721 and attr rmsd > 31.721)) ( attr rmsd < 2.518 and attr rmsd > 2.418) 6 6 0 peak 4356 ppm1 1.995 ppm2 2.468 volume 2.4878 assi ((( attr rmsd < 2.042) and (attr rmsd > 1.942)) and bondedto(attr rmsd < 32.706 and attr rmsd > 31.706)) ( attr rmsd < 2.050 and attr rmsd > 1.950) 6 6 0 peak 4357 ppm1 1.992 ppm2 2.000 volume 10.5074 assi ((( attr rmsd < 2.030) and (attr rmsd > 1.930)) and bondedto(attr rmsd < 32.727 and attr rmsd > 31.727)) ( attr rmsd < 4.246 and attr rmsd > 4.146) 6 6 0 peak 4358 ppm1 1.980 ppm2 4.196 volume 0.8762 assi ((( attr rmsd < 2.004) and (attr rmsd > 1.904)) and bondedto(attr rmsd < 32.733 and attr rmsd > 31.733)) ( attr rmsd < 1.776 and attr rmsd > 1.676) 6 6 0 peak 4359 ppm1 1.954 ppm2 1.726 volume 0.8213 assi ((( attr rmsd < 1.829) and (attr rmsd > 1.729)) and bondedto(attr rmsd < 32.728 and attr rmsd > 31.728)) ( attr rmsd < 4.201 and attr rmsd > 4.101) 6 6 0 peak 4360 ppm1 1.779 ppm2 4.151 volume 1.2775 assi ((( attr rmsd < 1.831) and (attr rmsd > 1.731)) and bondedto(attr rmsd < 32.738 and attr rmsd > 31.738)) ( attr rmsd < 1.554 and attr rmsd > 1.454) 6 6 0 peak 4361 ppm1 1.781 ppm2 1.504 volume 1.3294 assi ((( attr rmsd < 5.054) and (attr rmsd > 4.954)) and bondedto(attr rmsd < 56.134 and attr rmsd > 55.134)) ( attr rmsd < 5.061 and attr rmsd > 4.961) 6 6 0 peak 14362 ppm1 5.004 ppm2 5.011 volume 3.4306 assi ((( attr rmsd < 5.054) and (attr rmsd > 4.954)) and bondedto(attr rmsd < 8.614 and attr rmsd > 7.614)) ( attr rmsd < 5.061 and attr rmsd > 4.961) 6 6 0 peak 24362 ppm1 5.004 ppm2 5.011 volume 3.4306 assi ((( attr rmsd < 5.057) and (attr rmsd > 4.957)) and bondedto(attr rmsd < 56.129 and attr rmsd > 55.129)) ( attr rmsd < 3.970 and attr rmsd > 3.870) 6 6 0 peak 14363 ppm1 5.007 ppm2 3.920 volume 1.4864 assi ((( attr rmsd < 5.057) and (attr rmsd > 4.957)) and bondedto(attr rmsd < 8.609 and attr rmsd > 7.609)) ( attr rmsd < 3.970 and attr rmsd > 3.870) 6 6 0 peak 24363 ppm1 5.007 ppm2 3.920 volume 1.4864 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 56.155 and attr rmsd > 55.155)) ( attr rmsd < 2.357 and attr rmsd > 2.257) 6 6 0 peak 14364 ppm1 4.851 ppm2 2.307 volume 0.1890 assi ((( attr rmsd < 4.901) and (attr rmsd > 4.801)) and bondedto(attr rmsd < 8.635 and attr rmsd > 7.635)) ( attr rmsd < 2.357 and attr rmsd > 2.257) 6 6 0 peak 24364 ppm1 4.851 ppm2 2.307 volume 0.1890 assi ((( attr rmsd < 4.862) and (attr rmsd > 4.762)) and bondedto(attr rmsd < 56.181 and attr rmsd > 55.181)) ( attr rmsd < 5.054 and attr rmsd > 4.954) 6 6 0 peak 14365 ppm1 4.812 ppm2 5.004 volume 0.2311 assi ((( attr rmsd < 4.862) and (attr rmsd > 4.762)) and bondedto(attr rmsd < 8.661 and attr rmsd > 7.661)) ( attr rmsd < 5.054 and attr rmsd > 4.954) 6 6 0 peak 24365 ppm1 4.812 ppm2 5.004 volume 0.2311 assi ((( attr rmsd < 4.399) and (attr rmsd > 4.299)) and bondedto(attr rmsd < 56.189 and attr rmsd > 55.189)) ( attr rmsd < 5.051 and attr rmsd > 4.951) 6 6 0 peak 14366 ppm1 4.349 ppm2 5.001 volume 0.2343 assi ((( attr rmsd < 4.399) and (attr rmsd > 4.299)) and bondedto(attr rmsd < 8.669 and attr rmsd > 7.669)) ( attr rmsd < 5.051 and attr rmsd > 4.951) 6 6 0 peak 24366 ppm1 4.349 ppm2 5.001 volume 0.2343 assi ((( attr rmsd < 4.402) and (attr rmsd > 4.302)) and bondedto(attr rmsd < 56.249 and attr rmsd > 55.249)) ( attr rmsd < 2.355 and attr rmsd > 2.255) 6 6 0 peak 14367 ppm1 4.352 ppm2 2.305 volume 1.2909 assi ((( attr rmsd < 4.402) and (attr rmsd > 4.302)) and bondedto(attr rmsd < 8.729 and attr rmsd > 7.729)) ( attr rmsd < 2.355 and attr rmsd > 2.255) 6 6 0 peak 24367 ppm1 4.352 ppm2 2.305 volume 1.2909 assi ((( attr rmsd < 2.532) and (attr rmsd > 2.432)) and bondedto(attr rmsd < 56.239 and attr rmsd > 55.239)) ( attr rmsd < 1.942 and attr rmsd > 1.842) 6 6 0 peak 14368 ppm1 2.482 ppm2 1.892 volume 0.2974 assi ((( attr rmsd < 2.532) and (attr rmsd > 2.432)) and bondedto(attr rmsd < 8.719 and attr rmsd > 7.719)) ( attr rmsd < 1.942 and attr rmsd > 1.842) 6 6 0 peak 24368 ppm1 2.482 ppm2 1.892 volume 0.2974 assi ((( attr rmsd < 2.538) and (attr rmsd > 2.438)) and bondedto(attr rmsd < 56.198 and attr rmsd > 55.198)) ( attr rmsd < 1.700 and attr rmsd > 1.600) 6 6 0 peak 14369 ppm1 2.488 ppm2 1.650 volume 0.1502 assi ((( attr rmsd < 2.538) and (attr rmsd > 2.438)) and bondedto(attr rmsd < 8.678 and attr rmsd > 7.678)) ( attr rmsd < 1.700 and attr rmsd > 1.600) 6 6 0 peak 24369 ppm1 2.488 ppm2 1.650 volume 0.1502 assi ((( attr rmsd < 2.516) and (attr rmsd > 2.416)) and bondedto(attr rmsd < 56.167 and attr rmsd > 55.167)) ( attr rmsd < 1.100 and attr rmsd > 1.000) 6 6 0 peak 14370 ppm1 2.466 ppm2 1.050 volume 0.1467 assi ((( attr rmsd < 2.516) and (attr rmsd > 2.416)) and bondedto(attr rmsd < 8.647 and attr rmsd > 7.647)) ( attr rmsd < 1.100 and attr rmsd > 1.000) 6 6 0 peak 24370 ppm1 2.466 ppm2 1.050 volume 0.1467 assi ((( attr rmsd < 4.948) and (attr rmsd > 4.848)) and bondedto(attr rmsd < 32.473 and attr rmsd > 31.473)) ( attr rmsd < 3.972 and attr rmsd > 3.872) 6 6 0 peak 4371 ppm1 4.898 ppm2 3.922 volume 0.1943 assi ((( attr rmsd < 4.916) and (attr rmsd > 4.816)) and bondedto(attr rmsd < 32.389 and attr rmsd > 31.389)) ( attr rmsd < 3.976 and attr rmsd > 3.876) 6 6 0 peak 4372 ppm1 4.866 ppm2 3.926 volume 0.2110 assi ((( attr rmsd < 2.976) and (attr rmsd > 2.876)) and bondedto(attr rmsd < 32.434 and attr rmsd > 31.434)) ( attr rmsd < 5.464 and attr rmsd > 5.364) 6 6 0 peak 4373 ppm1 2.926 ppm2 5.414 volume 0.1777 assi ((( attr rmsd < 2.978) and (attr rmsd > 2.878)) and bondedto(attr rmsd < 32.399 and attr rmsd > 31.399)) ( attr rmsd < 2.980 and attr rmsd > 2.880) 6 6 0 peak 4374 ppm1 2.928 ppm2 2.930 volume 0.8275 assi ((( attr rmsd < 2.976) and (attr rmsd > 2.876)) and bondedto(attr rmsd < 32.407 and attr rmsd > 31.407)) ( attr rmsd < 2.750 and attr rmsd > 2.650) 6 6 0 peak 4375 ppm1 2.926 ppm2 2.700 volume 0.7024 assi ((( attr rmsd < 2.972) and (attr rmsd > 2.872)) and bondedto(attr rmsd < 32.425 and attr rmsd > 31.425)) ( attr rmsd < 0.760 and attr rmsd > 0.660) 6 6 0 peak 4376 ppm1 2.922 ppm2 0.710 volume 0.2864 assi ((( attr rmsd < 2.752) and (attr rmsd > 2.652)) and bondedto(attr rmsd < 32.395 and attr rmsd > 31.395)) ( attr rmsd < 5.470 and attr rmsd > 5.370) 6 6 0 peak 4377 ppm1 2.702 ppm2 5.420 volume 0.1784 assi ((( attr rmsd < 2.748) and (attr rmsd > 2.648)) and bondedto(attr rmsd < 32.414 and attr rmsd > 31.414)) ( attr rmsd < 2.983 and attr rmsd > 2.883) 6 6 0 peak 4378 ppm1 2.698 ppm2 2.933 volume 0.7087 assi ((( attr rmsd < 2.748) and (attr rmsd > 2.648)) and bondedto(attr rmsd < 32.424 and attr rmsd > 31.424)) ( attr rmsd < 2.753 and attr rmsd > 2.653) 6 6 0 peak 4379 ppm1 2.698 ppm2 2.703 volume 0.7087 assi ((( attr rmsd < 2.751) and (attr rmsd > 2.651)) and bondedto(attr rmsd < 32.393 and attr rmsd > 31.393)) ( attr rmsd < 0.766 and attr rmsd > 0.666) 6 6 0 peak 4380 ppm1 2.701 ppm2 0.716 volume 0.3225 assi ((( attr rmsd < 2.535) and (attr rmsd > 2.435)) and bondedto(attr rmsd < 32.545 and attr rmsd > 31.545)) ( attr rmsd < 4.582 and attr rmsd > 4.482) 6 6 0 peak 4381 ppm1 2.485 ppm2 4.532 volume 0.9628 assi ((( attr rmsd < 2.094) and (attr rmsd > 1.994)) and bondedto(attr rmsd < 32.501 and attr rmsd > 31.501)) ( attr rmsd < 4.391 and attr rmsd > 4.291) 6 6 0 peak 4382 ppm1 2.044 ppm2 4.341 volume 0.2909 assi ((( attr rmsd < 5.072) and (attr rmsd > 4.972)) and bondedto(attr rmsd < 56.036 and attr rmsd > 55.036)) ( attr rmsd < 2.549 and attr rmsd > 2.449) 6 6 0 peak 14383 ppm1 5.022 ppm2 2.499 volume 0.1858 assi ((( attr rmsd < 5.072) and (attr rmsd > 4.972)) and bondedto(attr rmsd < 8.516 and attr rmsd > 7.516)) ( attr rmsd < 2.549 and attr rmsd > 2.449) 6 6 0 peak 24383 ppm1 5.022 ppm2 2.499 volume 0.1858 assi ((( attr rmsd < 4.998) and (attr rmsd > 4.898)) and bondedto(attr rmsd < 56.004 and attr rmsd > 55.004)) ( attr rmsd < 2.058 and attr rmsd > 1.958) 6 6 0 peak 14384 ppm1 4.948 ppm2 2.008 volume 0.3786 assi ((( attr rmsd < 4.998) and (attr rmsd > 4.898)) and bondedto(attr rmsd < 8.484 and attr rmsd > 7.484)) ( attr rmsd < 2.058 and attr rmsd > 1.958) 6 6 0 peak 24384 ppm1 4.948 ppm2 2.008 volume 0.3786 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 56.093 and attr rmsd > 55.093)) ( attr rmsd < 2.545 and attr rmsd > 2.445) 6 6 0 peak 14385 ppm1 4.852 ppm2 2.495 volume 0.5345 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 8.573 and attr rmsd > 7.573)) ( attr rmsd < 2.545 and attr rmsd > 2.445) 6 6 0 peak 24385 ppm1 4.852 ppm2 2.495 volume 0.5345 assi ((( attr rmsd < 4.809) and (attr rmsd > 4.709)) and bondedto(attr rmsd < 56.115 and attr rmsd > 55.115)) ( attr rmsd < 5.055 and attr rmsd > 4.955) 6 6 0 peak 14386 ppm1 4.759 ppm2 5.005 volume 0.1785 assi ((( attr rmsd < 4.809) and (attr rmsd > 4.709)) and bondedto(attr rmsd < 8.595 and attr rmsd > 7.595)) ( attr rmsd < 5.055 and attr rmsd > 4.955) 6 6 0 peak 24386 ppm1 4.759 ppm2 5.005 volume 0.1785 assi ((( attr rmsd < 4.768) and (attr rmsd > 4.668)) and bondedto(attr rmsd < 56.085 and attr rmsd > 55.085)) ( attr rmsd < 2.544 and attr rmsd > 2.444) 6 6 0 peak 14387 ppm1 4.718 ppm2 2.494 volume 0.3935 assi ((( attr rmsd < 4.768) and (attr rmsd > 4.668)) and bondedto(attr rmsd < 8.565 and attr rmsd > 7.565)) ( attr rmsd < 2.544 and attr rmsd > 2.444) 6 6 0 peak 24387 ppm1 4.718 ppm2 2.494 volume 0.3935 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 56.123 and attr rmsd > 55.123)) ( attr rmsd < 2.359 and attr rmsd > 2.259) 6 6 0 peak 14388 ppm1 4.715 ppm2 2.309 volume 0.1474 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 8.603 and attr rmsd > 7.603)) ( attr rmsd < 2.359 and attr rmsd > 2.259) 6 6 0 peak 24388 ppm1 4.715 ppm2 2.309 volume 0.1474 assi ((( attr rmsd < 4.736) and (attr rmsd > 4.636)) and bondedto(attr rmsd < 56.118 and attr rmsd > 55.118)) ( attr rmsd < 3.953 and attr rmsd > 3.853) 6 6 0 peak 14389 ppm1 4.686 ppm2 3.903 volume 0.2311 assi ((( attr rmsd < 4.736) and (attr rmsd > 4.636)) and bondedto(attr rmsd < 8.598 and attr rmsd > 7.598)) ( attr rmsd < 3.953 and attr rmsd > 3.853) 6 6 0 peak 24389 ppm1 4.686 ppm2 3.903 volume 0.2311 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 56.056 and attr rmsd > 55.056)) ( attr rmsd < 5.053 and attr rmsd > 4.953) 6 6 0 peak 14390 ppm1 4.676 ppm2 5.003 volume 0.7313 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 8.536 and attr rmsd > 7.536)) ( attr rmsd < 5.053 and attr rmsd > 4.953) 6 6 0 peak 24390 ppm1 4.676 ppm2 5.003 volume 0.7313 assi ((( attr rmsd < 4.698) and (attr rmsd > 4.598)) and bondedto(attr rmsd < 56.085 and attr rmsd > 55.085)) ( attr rmsd < 3.970 and attr rmsd > 3.870) 6 6 0 peak 14391 ppm1 4.648 ppm2 3.920 volume 0.1809 assi ((( attr rmsd < 4.698) and (attr rmsd > 4.598)) and bondedto(attr rmsd < 8.565 and attr rmsd > 7.565)) ( attr rmsd < 3.970 and attr rmsd > 3.870) 6 6 0 peak 24391 ppm1 4.648 ppm2 3.920 volume 0.1809 assi ((( attr rmsd < 4.652) and (attr rmsd > 4.552)) and bondedto(attr rmsd < 56.047 and attr rmsd > 55.047)) ( attr rmsd < 3.977 and attr rmsd > 3.877) 6 6 0 peak 14392 ppm1 4.602 ppm2 3.927 volume 0.1707 assi ((( attr rmsd < 4.652) and (attr rmsd > 4.552)) and bondedto(attr rmsd < 8.527 and attr rmsd > 7.527)) ( attr rmsd < 3.977 and attr rmsd > 3.877) 6 6 0 peak 24392 ppm1 4.602 ppm2 3.927 volume 0.1707 assi ((( attr rmsd < 4.402) and (attr rmsd > 4.302)) and bondedto(attr rmsd < 55.972 and attr rmsd > 54.972)) ( attr rmsd < 2.146 and attr rmsd > 2.046) 6 6 0 peak 14393 ppm1 4.352 ppm2 2.096 volume 0.5755 assi ((( attr rmsd < 4.402) and (attr rmsd > 4.302)) and bondedto(attr rmsd < 8.452 and attr rmsd > 7.452)) ( attr rmsd < 2.146 and attr rmsd > 2.046) 6 6 0 peak 24393 ppm1 4.352 ppm2 2.096 volume 0.5755 assi ((( attr rmsd < 4.404) and (attr rmsd > 4.304)) and bondedto(attr rmsd < 56.023 and attr rmsd > 55.023)) ( attr rmsd < 2.045 and attr rmsd > 1.945) 6 6 0 peak 14394 ppm1 4.354 ppm2 1.995 volume 0.5085 assi ((( attr rmsd < 4.404) and (attr rmsd > 4.304)) and bondedto(attr rmsd < 8.503 and attr rmsd > 7.503)) ( attr rmsd < 2.045 and attr rmsd > 1.945) 6 6 0 peak 24394 ppm1 4.354 ppm2 1.995 volume 0.5085 assi ((( attr rmsd < 2.632) and (attr rmsd > 2.532)) and bondedto(attr rmsd < 55.964 and attr rmsd > 54.964)) ( attr rmsd < 2.496 and attr rmsd > 2.396) 6 6 0 peak 14395 ppm1 2.582 ppm2 2.446 volume 0.4586 assi ((( attr rmsd < 2.632) and (attr rmsd > 2.532)) and bondedto(attr rmsd < 8.444 and attr rmsd > 7.444)) ( attr rmsd < 2.496 and attr rmsd > 2.396) 6 6 0 peak 24395 ppm1 2.582 ppm2 2.446 volume 0.4586 assi ((( attr rmsd < 2.549) and (attr rmsd > 2.449)) and bondedto(attr rmsd < 56.033 and attr rmsd > 55.033)) ( attr rmsd < 2.378 and attr rmsd > 2.278) 6 6 0 peak 14396 ppm1 2.499 ppm2 2.328 volume 0.6064 assi ((( attr rmsd < 2.549) and (attr rmsd > 2.449)) and bondedto(attr rmsd < 8.513 and attr rmsd > 7.513)) ( attr rmsd < 2.378 and attr rmsd > 2.278) 6 6 0 peak 24396 ppm1 2.499 ppm2 2.328 volume 0.6064 assi ((( attr rmsd < 2.514) and (attr rmsd > 2.414)) and bondedto(attr rmsd < 56.043 and attr rmsd > 55.043)) ( attr rmsd < 2.382 and attr rmsd > 2.282) 6 6 0 peak 14397 ppm1 2.464 ppm2 2.332 volume 0.6517 assi ((( attr rmsd < 2.514) and (attr rmsd > 2.414)) and bondedto(attr rmsd < 8.523 and attr rmsd > 7.523)) ( attr rmsd < 2.382 and attr rmsd > 2.282) 6 6 0 peak 24397 ppm1 2.464 ppm2 2.332 volume 0.6517 assi ((( attr rmsd < 2.440) and (attr rmsd > 2.340)) and bondedto(attr rmsd < 55.990 and attr rmsd > 54.990)) ( attr rmsd < 2.590 and attr rmsd > 2.490) 6 6 0 peak 14398 ppm1 2.390 ppm2 2.540 volume 0.3997 assi ((( attr rmsd < 2.440) and (attr rmsd > 2.340)) and bondedto(attr rmsd < 8.470 and attr rmsd > 7.470)) ( attr rmsd < 2.590 and attr rmsd > 2.490) 6 6 0 peak 24398 ppm1 2.390 ppm2 2.540 volume 0.3997 assi ((( attr rmsd < 2.155) and (attr rmsd > 2.055)) and bondedto(attr rmsd < 55.968 and attr rmsd > 54.968)) ( attr rmsd < 2.556 and attr rmsd > 2.456) 6 6 0 peak 14399 ppm1 2.105 ppm2 2.506 volume 0.1680 assi ((( attr rmsd < 2.155) and (attr rmsd > 2.055)) and bondedto(attr rmsd < 8.448 and attr rmsd > 7.448)) ( attr rmsd < 2.556 and attr rmsd > 2.456) 6 6 0 peak 24399 ppm1 2.105 ppm2 2.506 volume 0.1680 assi ((( attr rmsd < 1.006) and (attr rmsd > 0.906)) and bondedto(attr rmsd < 55.954 and attr rmsd > 54.954)) ( attr rmsd < 2.117 and attr rmsd > 2.017) 6 6 0 peak 14400 ppm1 0.956 ppm2 2.067 volume 0.2414 assi ((( attr rmsd < 1.006) and (attr rmsd > 0.906)) and bondedto(attr rmsd < 8.434 and attr rmsd > 7.434)) ( attr rmsd < 2.117 and attr rmsd > 2.017) 6 6 0 peak 24400 ppm1 0.956 ppm2 2.067 volume 0.2414 assi ((( attr rmsd < 4.902) and (attr rmsd > 4.802)) and bondedto(attr rmsd < 32.291 and attr rmsd > 31.291)) ( attr rmsd < 5.037 and attr rmsd > 4.937) 6 6 0 peak 4401 ppm1 4.852 ppm2 4.987 volume 0.7109 assi ((( attr rmsd < 2.965) and (attr rmsd > 2.865)) and bondedto(attr rmsd < 32.361 and attr rmsd > 31.361)) ( attr rmsd < 0.993 and attr rmsd > 0.893) 6 6 0 peak 4402 ppm1 2.915 ppm2 0.943 volume 0.1625 assi ((( attr rmsd < 2.544) and (attr rmsd > 2.444)) and bondedto(attr rmsd < 32.317 and attr rmsd > 31.317)) ( attr rmsd < 2.538 and attr rmsd > 2.438) 6 6 0 peak 4403 ppm1 2.494 ppm2 2.488 volume 9.9516 assi ((( attr rmsd < 2.522) and (attr rmsd > 2.422)) and bondedto(attr rmsd < 32.300 and attr rmsd > 31.300)) ( attr rmsd < 2.551 and attr rmsd > 2.451) 6 6 0 peak 4404 ppm1 2.472 ppm2 2.501 volume 10.0571 assi ((( attr rmsd < 2.374) and (attr rmsd > 2.274)) and bondedto(attr rmsd < 32.249 and attr rmsd > 31.249)) ( attr rmsd < 2.378 and attr rmsd > 2.278) 6 6 0 peak 4405 ppm1 2.324 ppm2 2.328 volume 2.3584 assi ((( attr rmsd < 2.031) and (attr rmsd > 1.931)) and bondedto(attr rmsd < 32.191 and attr rmsd > 31.191)) ( attr rmsd < 2.299 and attr rmsd > 2.199) 6 6 0 peak 4406 ppm1 1.981 ppm2 2.249 volume 0.6480 assi ((( attr rmsd < 2.005) and (attr rmsd > 1.905)) and bondedto(attr rmsd < 32.203 and attr rmsd > 31.203)) ( attr rmsd < 4.415 and attr rmsd > 4.315) 6 6 0 peak 4407 ppm1 1.955 ppm2 4.365 volume 0.3196 assi ((( attr rmsd < 1.886) and (attr rmsd > 1.786)) and bondedto(attr rmsd < 32.201 and attr rmsd > 31.201)) ( attr rmsd < 2.028 and attr rmsd > 1.928) 6 6 0 peak 4408 ppm1 1.836 ppm2 1.978 volume 2.0316 assi ((( attr rmsd < 5.762) and (attr rmsd > 5.662)) and bondedto(attr rmsd < 55.797 and attr rmsd > 54.797)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 14409 ppm1 5.712 ppm2 4.484 volume 0.1813 assi ((( attr rmsd < 5.762) and (attr rmsd > 5.662)) and bondedto(attr rmsd < 8.277 and attr rmsd > 7.277)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 24409 ppm1 5.712 ppm2 4.484 volume 0.1813 assi ((( attr rmsd < 5.618) and (attr rmsd > 5.518)) and bondedto(attr rmsd < 55.799 and attr rmsd > 54.799)) ( attr rmsd < 4.539 and attr rmsd > 4.439) 6 6 0 peak 14410 ppm1 5.568 ppm2 4.489 volume 0.2129 assi ((( attr rmsd < 5.618) and (attr rmsd > 5.518)) and bondedto(attr rmsd < 8.279 and attr rmsd > 7.279)) ( attr rmsd < 4.539 and attr rmsd > 4.439) 6 6 0 peak 24410 ppm1 5.568 ppm2 4.489 volume 0.2129 assi ((( attr rmsd < 5.493) and (attr rmsd > 5.393)) and bondedto(attr rmsd < 55.764 and attr rmsd > 54.764)) ( attr rmsd < 4.533 and attr rmsd > 4.433) 6 6 0 peak 14411 ppm1 5.443 ppm2 4.483 volume 0.2454 assi ((( attr rmsd < 5.493) and (attr rmsd > 5.393)) and bondedto(attr rmsd < 8.244 and attr rmsd > 7.244)) ( attr rmsd < 4.533 and attr rmsd > 4.433) 6 6 0 peak 24411 ppm1 5.443 ppm2 4.483 volume 0.2454 assi ((( attr rmsd < 5.418) and (attr rmsd > 5.318)) and bondedto(attr rmsd < 55.755 and attr rmsd > 54.755)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 14412 ppm1 5.368 ppm2 4.484 volume 0.2668 assi ((( attr rmsd < 5.418) and (attr rmsd > 5.318)) and bondedto(attr rmsd < 8.235 and attr rmsd > 7.235)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 24412 ppm1 5.368 ppm2 4.484 volume 0.2668 assi ((( attr rmsd < 4.997) and (attr rmsd > 4.897)) and bondedto(attr rmsd < 55.884 and attr rmsd > 54.884)) ( attr rmsd < 1.760 and attr rmsd > 1.660) 6 6 0 peak 14413 ppm1 4.947 ppm2 1.710 volume 0.4623 assi ((( attr rmsd < 4.997) and (attr rmsd > 4.897)) and bondedto(attr rmsd < 8.364 and attr rmsd > 7.364)) ( attr rmsd < 1.760 and attr rmsd > 1.660) 6 6 0 peak 24413 ppm1 4.947 ppm2 1.710 volume 0.4623 assi ((( attr rmsd < 4.543) and (attr rmsd > 4.443)) and bondedto(attr rmsd < 55.827 and attr rmsd > 54.827)) ( attr rmsd < 5.040 and attr rmsd > 4.940) 6 6 0 peak 14414 ppm1 4.493 ppm2 4.990 volume 0.3188 assi ((( attr rmsd < 4.543) and (attr rmsd > 4.443)) and bondedto(attr rmsd < 8.307 and attr rmsd > 7.307)) ( attr rmsd < 5.040 and attr rmsd > 4.940) 6 6 0 peak 24414 ppm1 4.493 ppm2 4.990 volume 0.3188 assi ((( attr rmsd < 4.529) and (attr rmsd > 4.429)) and bondedto(attr rmsd < 55.764 and attr rmsd > 54.764)) ( attr rmsd < 2.089 and attr rmsd > 1.989) 6 6 0 peak 14415 ppm1 4.479 ppm2 2.039 volume 0.4807 assi ((( attr rmsd < 4.529) and (attr rmsd > 4.429)) and bondedto(attr rmsd < 8.244 and attr rmsd > 7.244)) ( attr rmsd < 2.089 and attr rmsd > 1.989) 6 6 0 peak 24415 ppm1 4.479 ppm2 2.039 volume 0.4807 assi ((( attr rmsd < 4.035) and (attr rmsd > 3.935)) and bondedto(attr rmsd < 55.797 and attr rmsd > 54.797)) ( attr rmsd < 4.040 and attr rmsd > 3.940) 6 6 0 peak 14416 ppm1 3.985 ppm2 3.990 volume 0.9913 assi ((( attr rmsd < 4.035) and (attr rmsd > 3.935)) and bondedto(attr rmsd < 8.277 and attr rmsd > 7.277)) ( attr rmsd < 4.040 and attr rmsd > 3.940) 6 6 0 peak 24416 ppm1 3.985 ppm2 3.990 volume 0.9913 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 55.783 and attr rmsd > 54.783)) ( attr rmsd < 3.731 and attr rmsd > 3.631) 6 6 0 peak 14417 ppm1 3.812 ppm2 3.681 volume 1.3959 assi ((( attr rmsd < 3.862) and (attr rmsd > 3.762)) and bondedto(attr rmsd < 8.263 and attr rmsd > 7.263)) ( attr rmsd < 3.731 and attr rmsd > 3.631) 6 6 0 peak 24417 ppm1 3.812 ppm2 3.681 volume 1.3959 assi ((( attr rmsd < 3.231) and (attr rmsd > 3.131)) and bondedto(attr rmsd < 55.872 and attr rmsd > 54.872)) ( attr rmsd < 3.162 and attr rmsd > 3.062) 6 6 0 peak 14418 ppm1 3.181 ppm2 3.112 volume 0.5266 assi ((( attr rmsd < 3.231) and (attr rmsd > 3.131)) and bondedto(attr rmsd < 8.352 and attr rmsd > 7.352)) ( attr rmsd < 3.162 and attr rmsd > 3.062) 6 6 0 peak 24418 ppm1 3.181 ppm2 3.112 volume 0.5266 assi ((( attr rmsd < 3.154) and (attr rmsd > 3.054)) and bondedto(attr rmsd < 55.924 and attr rmsd > 54.924)) ( attr rmsd < 3.220 and attr rmsd > 3.120) 6 6 0 peak 14419 ppm1 3.104 ppm2 3.170 volume 0.5458 assi ((( attr rmsd < 3.154) and (attr rmsd > 3.054)) and bondedto(attr rmsd < 8.404 and attr rmsd > 7.404)) ( attr rmsd < 3.220 and attr rmsd > 3.120) 6 6 0 peak 24419 ppm1 3.104 ppm2 3.170 volume 0.5458 assi ((( attr rmsd < 2.063) and (attr rmsd > 1.963)) and bondedto(attr rmsd < 55.812 and attr rmsd > 54.812)) ( attr rmsd < 1.678 and attr rmsd > 1.578) 6 6 0 peak 14420 ppm1 2.013 ppm2 1.628 volume 0.1578 assi ((( attr rmsd < 2.063) and (attr rmsd > 1.963)) and bondedto(attr rmsd < 8.292 and attr rmsd > 7.292)) ( attr rmsd < 1.678 and attr rmsd > 1.578) 6 6 0 peak 24420 ppm1 2.013 ppm2 1.628 volume 0.1578 assi ((( attr rmsd < 1.865) and (attr rmsd > 1.765)) and bondedto(attr rmsd < 55.906 and attr rmsd > 54.906)) ( attr rmsd < 0.475 and attr rmsd > 0.375) 6 6 0 peak 14421 ppm1 1.815 ppm2 0.425 volume 0.2223 assi ((( attr rmsd < 1.865) and (attr rmsd > 1.765)) and bondedto(attr rmsd < 8.386 and attr rmsd > 7.386)) ( attr rmsd < 0.475 and attr rmsd > 0.375) 6 6 0 peak 24421 ppm1 1.815 ppm2 0.425 volume 0.2223 assi ((( attr rmsd < 2.374) and (attr rmsd > 2.274)) and bondedto(attr rmsd < 32.110 and attr rmsd > 31.110)) ( attr rmsd < 4.154 and attr rmsd > 4.054) 6 6 0 peak 4422 ppm1 2.324 ppm2 4.104 volume 0.6417 assi ((( attr rmsd < 2.370) and (attr rmsd > 2.270)) and bondedto(attr rmsd < 32.176 and attr rmsd > 31.176)) ( attr rmsd < 3.743 and attr rmsd > 3.643) 6 6 0 peak 4423 ppm1 2.320 ppm2 3.693 volume 0.1660 assi ((( attr rmsd < 2.370) and (attr rmsd > 2.270)) and bondedto(attr rmsd < 32.159 and attr rmsd > 31.159)) ( attr rmsd < 2.088 and attr rmsd > 1.988) 6 6 0 peak 4424 ppm1 2.320 ppm2 2.038 volume 2.0528 assi ((( attr rmsd < 2.376) and (attr rmsd > 2.276)) and bondedto(attr rmsd < 32.113 and attr rmsd > 31.113)) ( attr rmsd < 0.884 and attr rmsd > 0.784) 6 6 0 peak 4425 ppm1 2.326 ppm2 0.834 volume 0.5234 assi ((( attr rmsd < 2.095) and (attr rmsd > 1.995)) and bondedto(attr rmsd < 32.134 and attr rmsd > 31.134)) ( attr rmsd < 4.152 and attr rmsd > 4.052) 6 6 0 peak 4426 ppm1 2.045 ppm2 4.102 volume 0.4645 assi ((( attr rmsd < 2.087) and (attr rmsd > 1.987)) and bondedto(attr rmsd < 32.146 and attr rmsd > 31.146)) ( attr rmsd < 3.744 and attr rmsd > 3.644) 6 6 0 peak 4427 ppm1 2.037 ppm2 3.694 volume 0.1614 assi ((( attr rmsd < 2.094) and (attr rmsd > 1.994)) and bondedto(attr rmsd < 32.179 and attr rmsd > 31.179)) ( attr rmsd < 3.640 and attr rmsd > 3.540) 6 6 0 peak 4428 ppm1 2.044 ppm2 3.590 volume 0.1785 assi ((( attr rmsd < 2.095) and (attr rmsd > 1.995)) and bondedto(attr rmsd < 32.123 and attr rmsd > 31.123)) ( attr rmsd < 2.378 and attr rmsd > 2.278) 6 6 0 peak 4429 ppm1 2.045 ppm2 2.328 volume 1.4455 assi ((( attr rmsd < 2.095) and (attr rmsd > 1.995)) and bondedto(attr rmsd < 32.102 and attr rmsd > 31.102)) ( attr rmsd < 0.883 and attr rmsd > 0.783) 6 6 0 peak 4430 ppm1 2.045 ppm2 0.833 volume 0.4321 assi ((( attr rmsd < 2.013) and (attr rmsd > 1.913)) and bondedto(attr rmsd < 32.106 and attr rmsd > 31.106)) ( attr rmsd < 1.888 and attr rmsd > 1.788) 6 6 0 peak 4431 ppm1 1.963 ppm2 1.838 volume 1.4017 assi ((( attr rmsd < 1.894) and (attr rmsd > 1.794)) and bondedto(attr rmsd < 32.180 and attr rmsd > 31.180)) ( attr rmsd < 4.425 and attr rmsd > 4.325) 6 6 0 peak 4432 ppm1 1.844 ppm2 4.375 volume 0.3126 assi ((( attr rmsd < 1.862) and (attr rmsd > 1.762)) and bondedto(attr rmsd < 32.093 and attr rmsd > 31.093)) ( attr rmsd < 2.206 and attr rmsd > 2.106) 6 6 0 peak 4433 ppm1 1.812 ppm2 2.156 volume 1.0474 assi ((( attr rmsd < 4.911) and (attr rmsd > 4.811)) and bondedto(attr rmsd < 55.665 and attr rmsd > 54.665)) ( attr rmsd < 4.530 and attr rmsd > 4.430) 6 6 0 peak 14434 ppm1 4.861 ppm2 4.480 volume 1.9173 assi ((( attr rmsd < 4.911) and (attr rmsd > 4.811)) and bondedto(attr rmsd < 8.145 and attr rmsd > 7.145)) ( attr rmsd < 4.530 and attr rmsd > 4.430) 6 6 0 peak 24434 ppm1 4.861 ppm2 4.480 volume 1.9173 assi ((( attr rmsd < 4.830) and (attr rmsd > 4.730)) and bondedto(attr rmsd < 55.672 and attr rmsd > 54.672)) ( attr rmsd < 4.531 and attr rmsd > 4.431) 6 6 0 peak 14435 ppm1 4.780 ppm2 4.481 volume 0.6925 assi ((( attr rmsd < 4.830) and (attr rmsd > 4.730)) and bondedto(attr rmsd < 8.152 and attr rmsd > 7.152)) ( attr rmsd < 4.531 and attr rmsd > 4.431) 6 6 0 peak 24435 ppm1 4.780 ppm2 4.481 volume 0.6925 assi ((( attr rmsd < 4.779) and (attr rmsd > 4.679)) and bondedto(attr rmsd < 55.652 and attr rmsd > 54.652)) ( attr rmsd < 4.529 and attr rmsd > 4.429) 6 6 0 peak 14436 ppm1 4.729 ppm2 4.479 volume 1.2472 assi ((( attr rmsd < 4.779) and (attr rmsd > 4.679)) and bondedto(attr rmsd < 8.132 and attr rmsd > 7.132)) ( attr rmsd < 4.529 and attr rmsd > 4.429) 6 6 0 peak 24436 ppm1 4.729 ppm2 4.479 volume 1.2472 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 55.720 and attr rmsd > 54.720)) ( attr rmsd < 2.224 and attr rmsd > 2.124) 6 6 0 peak 14437 ppm1 4.680 ppm2 2.174 volume 0.1546 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 8.200 and attr rmsd > 7.200)) ( attr rmsd < 2.224 and attr rmsd > 2.124) 6 6 0 peak 24437 ppm1 4.680 ppm2 2.174 volume 0.1546 assi ((( attr rmsd < 4.532) and (attr rmsd > 4.432)) and bondedto(attr rmsd < 55.687 and attr rmsd > 54.687)) ( attr rmsd < 1.783 and attr rmsd > 1.683) 6 6 0 peak 14438 ppm1 4.482 ppm2 1.733 volume 0.2619 assi ((( attr rmsd < 4.532) and (attr rmsd > 4.432)) and bondedto(attr rmsd < 8.167 and attr rmsd > 7.167)) ( attr rmsd < 1.783 and attr rmsd > 1.683) 6 6 0 peak 24438 ppm1 4.482 ppm2 1.733 volume 0.2619 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 55.668 and attr rmsd > 54.668)) ( attr rmsd < 4.532 and attr rmsd > 4.432) 6 6 0 peak 14439 ppm1 4.480 ppm2 4.482 volume 18.4596 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 8.148 and attr rmsd > 7.148)) ( attr rmsd < 4.532 and attr rmsd > 4.432) 6 6 0 peak 24439 ppm1 4.480 ppm2 4.482 volume 18.4596 assi ((( attr rmsd < 4.531) and (attr rmsd > 4.431)) and bondedto(attr rmsd < 55.737 and attr rmsd > 54.737)) ( attr rmsd < 2.479 and attr rmsd > 2.379) 6 6 0 peak 14440 ppm1 4.481 ppm2 2.429 volume 0.2792 assi ((( attr rmsd < 4.531) and (attr rmsd > 4.431)) and bondedto(attr rmsd < 8.217 and attr rmsd > 7.217)) ( attr rmsd < 2.479 and attr rmsd > 2.379) 6 6 0 peak 24440 ppm1 4.481 ppm2 2.429 volume 0.2792 assi ((( attr rmsd < 4.323) and (attr rmsd > 4.223)) and bondedto(attr rmsd < 55.587 and attr rmsd > 54.587)) ( attr rmsd < 4.688 and attr rmsd > 4.588) 6 6 0 peak 14441 ppm1 4.273 ppm2 4.638 volume 0.1765 assi ((( attr rmsd < 4.323) and (attr rmsd > 4.223)) and bondedto(attr rmsd < 8.067 and attr rmsd > 7.067)) ( attr rmsd < 4.688 and attr rmsd > 4.588) 6 6 0 peak 24441 ppm1 4.273 ppm2 4.638 volume 0.1765 assi ((( attr rmsd < 4.325) and (attr rmsd > 4.225)) and bondedto(attr rmsd < 55.570 and attr rmsd > 54.570)) ( attr rmsd < 3.097 and attr rmsd > 2.997) 6 6 0 peak 14442 ppm1 4.275 ppm2 3.047 volume 0.3994 assi ((( attr rmsd < 4.325) and (attr rmsd > 4.225)) and bondedto(attr rmsd < 8.050 and attr rmsd > 7.050)) ( attr rmsd < 3.097 and attr rmsd > 2.997) 6 6 0 peak 24442 ppm1 4.275 ppm2 3.047 volume 0.3994 assi ((( attr rmsd < 4.326) and (attr rmsd > 4.226)) and bondedto(attr rmsd < 55.591 and attr rmsd > 54.591)) ( attr rmsd < 2.584 and attr rmsd > 2.484) 6 6 0 peak 14443 ppm1 4.276 ppm2 2.534 volume 0.5677 assi ((( attr rmsd < 4.326) and (attr rmsd > 4.226)) and bondedto(attr rmsd < 8.071 and attr rmsd > 7.071)) ( attr rmsd < 2.584 and attr rmsd > 2.484) 6 6 0 peak 24443 ppm1 4.276 ppm2 2.534 volume 0.5677 assi ((( attr rmsd < 3.900) and (attr rmsd > 3.800)) and bondedto(attr rmsd < 55.659 and attr rmsd > 54.659)) ( attr rmsd < 3.898 and attr rmsd > 3.798) 6 6 0 peak 14444 ppm1 3.850 ppm2 3.848 volume 2.3898 assi ((( attr rmsd < 3.900) and (attr rmsd > 3.800)) and bondedto(attr rmsd < 8.139 and attr rmsd > 7.139)) ( attr rmsd < 3.898 and attr rmsd > 3.798) 6 6 0 peak 24444 ppm1 3.850 ppm2 3.848 volume 2.3898 assi ((( attr rmsd < 3.885) and (attr rmsd > 3.785)) and bondedto(attr rmsd < 55.622 and attr rmsd > 54.622)) ( attr rmsd < 1.829 and attr rmsd > 1.729) 6 6 0 peak 14445 ppm1 3.835 ppm2 1.779 volume 0.3835 assi ((( attr rmsd < 3.885) and (attr rmsd > 3.785)) and bondedto(attr rmsd < 8.102 and attr rmsd > 7.102)) ( attr rmsd < 1.829 and attr rmsd > 1.729) 6 6 0 peak 24445 ppm1 3.835 ppm2 1.779 volume 0.3835 assi ((( attr rmsd < 3.886) and (attr rmsd > 3.786)) and bondedto(attr rmsd < 55.630 and attr rmsd > 54.630)) ( attr rmsd < 1.517 and attr rmsd > 1.417) 6 6 0 peak 14446 ppm1 3.836 ppm2 1.467 volume 0.9579 assi ((( attr rmsd < 3.886) and (attr rmsd > 3.786)) and bondedto(attr rmsd < 8.110 and attr rmsd > 7.110)) ( attr rmsd < 1.517 and attr rmsd > 1.417) 6 6 0 peak 24446 ppm1 3.836 ppm2 1.467 volume 0.9579 assi ((( attr rmsd < 3.886) and (attr rmsd > 3.786)) and bondedto(attr rmsd < 55.685 and attr rmsd > 54.685)) ( attr rmsd < 0.935 and attr rmsd > 0.835) 6 6 0 peak 14447 ppm1 3.836 ppm2 0.885 volume 0.6140 assi ((( attr rmsd < 3.886) and (attr rmsd > 3.786)) and bondedto(attr rmsd < 8.165 and attr rmsd > 7.165)) ( attr rmsd < 0.935 and attr rmsd > 0.835) 6 6 0 peak 24447 ppm1 3.836 ppm2 0.885 volume 0.6140 assi ((( attr rmsd < 1.868) and (attr rmsd > 1.768)) and bondedto(attr rmsd < 55.666 and attr rmsd > 54.666)) ( attr rmsd < 0.549 and attr rmsd > 0.449) 6 6 0 peak 14448 ppm1 1.818 ppm2 0.499 volume 0.2376 assi ((( attr rmsd < 1.868) and (attr rmsd > 1.768)) and bondedto(attr rmsd < 8.146 and attr rmsd > 7.146)) ( attr rmsd < 0.549 and attr rmsd > 0.449) 6 6 0 peak 24448 ppm1 1.818 ppm2 0.499 volume 0.2376 assi ((( attr rmsd < 1.717) and (attr rmsd > 1.617)) and bondedto(attr rmsd < 55.576 and attr rmsd > 54.576)) ( attr rmsd < 1.722 and attr rmsd > 1.622) 6 6 0 peak 14449 ppm1 1.667 ppm2 1.672 volume 0.9946 assi ((( attr rmsd < 1.717) and (attr rmsd > 1.617)) and bondedto(attr rmsd < 8.056 and attr rmsd > 7.056)) ( attr rmsd < 1.722 and attr rmsd > 1.622) 6 6 0 peak 24449 ppm1 1.667 ppm2 1.672 volume 0.9946 assi ((( attr rmsd < 1.660) and (attr rmsd > 1.560)) and bondedto(attr rmsd < 55.743 and attr rmsd > 54.743)) ( attr rmsd < 2.059 and attr rmsd > 1.959) 6 6 0 peak 14450 ppm1 1.610 ppm2 2.009 volume 0.2186 assi ((( attr rmsd < 1.660) and (attr rmsd > 1.560)) and bondedto(attr rmsd < 8.223 and attr rmsd > 7.223)) ( attr rmsd < 2.059 and attr rmsd > 1.959) 6 6 0 peak 24450 ppm1 1.610 ppm2 2.009 volume 0.2186 assi ((( attr rmsd < 1.511) and (attr rmsd > 1.411)) and bondedto(attr rmsd < 55.663 and attr rmsd > 54.663)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 14451 ppm1 1.461 ppm2 3.838 volume 0.1845 assi ((( attr rmsd < 1.511) and (attr rmsd > 1.411)) and bondedto(attr rmsd < 8.143 and attr rmsd > 7.143)) ( attr rmsd < 3.888 and attr rmsd > 3.788) 6 6 0 peak 24451 ppm1 1.461 ppm2 3.838 volume 0.1845 assi ((( attr rmsd < 4.728) and (attr rmsd > 4.628)) and bondedto(attr rmsd < 31.904 and attr rmsd > 30.904)) ( attr rmsd < 4.535 and attr rmsd > 4.435) 6 6 0 peak 4452 ppm1 4.678 ppm2 4.485 volume 1.6556 assi ((( attr rmsd < 4.696) and (attr rmsd > 4.596)) and bondedto(attr rmsd < 31.868 and attr rmsd > 30.868)) ( attr rmsd < 4.536 and attr rmsd > 4.436) 6 6 0 peak 4453 ppm1 4.646 ppm2 4.486 volume 1.6498 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 31.926 and attr rmsd > 30.926)) ( attr rmsd < 1.111 and attr rmsd > 1.011) 6 6 0 peak 4454 ppm1 4.480 ppm2 1.061 volume 0.1524 assi ((( attr rmsd < 3.855) and (attr rmsd > 3.755)) and bondedto(attr rmsd < 31.847 and attr rmsd > 30.847)) ( attr rmsd < 3.857 and attr rmsd > 3.757) 6 6 0 peak 4455 ppm1 3.805 ppm2 3.807 volume 1.7988 assi ((( attr rmsd < 3.633) and (attr rmsd > 3.533)) and bondedto(attr rmsd < 31.906 and attr rmsd > 30.906)) ( attr rmsd < 3.723 and attr rmsd > 3.623) 6 6 0 peak 4456 ppm1 3.583 ppm2 3.673 volume 1.0948 assi ((( attr rmsd < 1.825) and (attr rmsd > 1.725)) and bondedto(attr rmsd < 31.847 and attr rmsd > 30.847)) ( attr rmsd < 3.897 and attr rmsd > 3.797) 6 6 0 peak 4457 ppm1 1.775 ppm2 3.847 volume 0.3611 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 31.966 and attr rmsd > 30.966)) ( attr rmsd < 0.265 and attr rmsd > 0.165) 6 6 0 peak 4458 ppm1 1.777 ppm2 0.215 volume 0.3244 assi ((( attr rmsd < 1.813) and (attr rmsd > 1.713)) and bondedto(attr rmsd < 31.818 and attr rmsd > 30.818)) ( attr rmsd < 0.823 and attr rmsd > 0.723) 6 6 0 peak 4459 ppm1 1.763 ppm2 0.773 volume 1.0400 assi ((( attr rmsd < 5.676) and (attr rmsd > 5.576)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 5.679 and attr rmsd > 5.579) 6 6 0 peak 14460 ppm1 5.626 ppm2 5.629 volume 0.7541 assi ((( attr rmsd < 5.676) and (attr rmsd > 5.576)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 5.679 and attr rmsd > 5.579) 6 6 0 peak 24460 ppm1 5.626 ppm2 5.629 volume 0.7541 assi ((( attr rmsd < 5.674) and (attr rmsd > 5.574)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.923 and attr rmsd > 1.823) 6 6 0 peak 14461 ppm1 5.624 ppm2 1.873 volume 0.2061 assi ((( attr rmsd < 5.674) and (attr rmsd > 5.574)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.923 and attr rmsd > 1.823) 6 6 0 peak 24461 ppm1 5.624 ppm2 1.873 volume 0.2061 assi ((( attr rmsd < 5.673) and (attr rmsd > 5.573)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 14462 ppm1 5.623 ppm2 1.716 volume 0.2700 assi ((( attr rmsd < 5.673) and (attr rmsd > 5.573)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.766 and attr rmsd > 1.666) 6 6 0 peak 24462 ppm1 5.623 ppm2 1.716 volume 0.2700 assi ((( attr rmsd < 5.674) and (attr rmsd > 5.574)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.593 and attr rmsd > 1.493) 6 6 0 peak 14463 ppm1 5.624 ppm2 1.543 volume 0.1982 assi ((( attr rmsd < 5.674) and (attr rmsd > 5.574)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.593 and attr rmsd > 1.493) 6 6 0 peak 24463 ppm1 5.624 ppm2 1.543 volume 0.1982 assi ((( attr rmsd < 5.467) and (attr rmsd > 5.367)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 5.473 and attr rmsd > 5.373) 6 6 0 peak 14464 ppm1 5.417 ppm2 5.423 volume 1.1760 assi ((( attr rmsd < 5.467) and (attr rmsd > 5.367)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 5.473 and attr rmsd > 5.373) 6 6 0 peak 24464 ppm1 5.417 ppm2 5.423 volume 1.1760 assi ((( attr rmsd < 5.459) and (attr rmsd > 5.359)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.981 and attr rmsd > 2.881) 6 6 0 peak 14465 ppm1 5.409 ppm2 2.931 volume 0.2094 assi ((( attr rmsd < 5.459) and (attr rmsd > 5.359)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.981 and attr rmsd > 2.881) 6 6 0 peak 24465 ppm1 5.409 ppm2 2.931 volume 0.2094 assi ((( attr rmsd < 5.466) and (attr rmsd > 5.366)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.749 and attr rmsd > 2.649) 6 6 0 peak 14466 ppm1 5.416 ppm2 2.699 volume 0.2486 assi ((( attr rmsd < 5.466) and (attr rmsd > 5.366)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.749 and attr rmsd > 2.649) 6 6 0 peak 24466 ppm1 5.416 ppm2 2.699 volume 0.2486 assi ((( attr rmsd < 5.465) and (attr rmsd > 5.365)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.981 and attr rmsd > 0.881) 6 6 0 peak 14467 ppm1 5.415 ppm2 0.931 volume 0.2181 assi ((( attr rmsd < 5.465) and (attr rmsd > 5.365)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.981 and attr rmsd > 0.881) 6 6 0 peak 24467 ppm1 5.415 ppm2 0.931 volume 0.2181 assi ((( attr rmsd < 5.071) and (attr rmsd > 4.971)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.850 and attr rmsd > 1.750) 6 6 0 peak 14468 ppm1 5.021 ppm2 1.800 volume 0.4158 assi ((( attr rmsd < 5.071) and (attr rmsd > 4.971)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.850 and attr rmsd > 1.750) 6 6 0 peak 24468 ppm1 5.021 ppm2 1.800 volume 0.4158 assi ((( attr rmsd < 5.071) and (attr rmsd > 4.971)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.711 and attr rmsd > 1.611) 6 6 0 peak 14469 ppm1 5.021 ppm2 1.661 volume 0.3111 assi ((( attr rmsd < 5.071) and (attr rmsd > 4.971)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.711 and attr rmsd > 1.611) 6 6 0 peak 24469 ppm1 5.021 ppm2 1.661 volume 0.3111 assi ((( attr rmsd < 5.072) and (attr rmsd > 4.972)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.420 and attr rmsd > 1.320) 6 6 0 peak 14470 ppm1 5.022 ppm2 1.370 volume 0.2587 assi ((( attr rmsd < 5.072) and (attr rmsd > 4.972)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.420 and attr rmsd > 1.320) 6 6 0 peak 24470 ppm1 5.022 ppm2 1.370 volume 0.2587 assi ((( attr rmsd < 5.066) and (attr rmsd > 4.966)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.934 and attr rmsd > 0.834) 6 6 0 peak 14471 ppm1 5.016 ppm2 0.884 volume 0.1938 assi ((( attr rmsd < 5.066) and (attr rmsd > 4.966)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.934 and attr rmsd > 0.834) 6 6 0 peak 24471 ppm1 5.016 ppm2 0.884 volume 0.1938 assi ((( attr rmsd < 5.045) and (attr rmsd > 4.945)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.931 and attr rmsd > 0.831) 6 6 0 peak 14472 ppm1 4.995 ppm2 0.881 volume 0.1930 assi ((( attr rmsd < 5.045) and (attr rmsd > 4.945)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.931 and attr rmsd > 0.831) 6 6 0 peak 24472 ppm1 4.995 ppm2 0.881 volume 0.1930 assi ((( attr rmsd < 4.959) and (attr rmsd > 4.859)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 5.025 and attr rmsd > 4.925) 6 6 0 peak 14473 ppm1 4.909 ppm2 4.975 volume 1.8431 assi ((( attr rmsd < 4.959) and (attr rmsd > 4.859)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 5.025 and attr rmsd > 4.925) 6 6 0 peak 24473 ppm1 4.909 ppm2 4.975 volume 1.8431 assi ((( attr rmsd < 4.946) and (attr rmsd > 4.846)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.942 and attr rmsd > 0.842) 6 6 0 peak 14474 ppm1 4.896 ppm2 0.892 volume 0.3081 assi ((( attr rmsd < 4.946) and (attr rmsd > 4.846)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.942 and attr rmsd > 0.842) 6 6 0 peak 24474 ppm1 4.896 ppm2 0.892 volume 0.3081 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 14475 ppm1 4.868 ppm2 4.934 volume 2.6871 assi ((( attr rmsd < 4.918) and (attr rmsd > 4.818)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 24475 ppm1 4.868 ppm2 4.934 volume 2.6871 assi ((( attr rmsd < 4.912) and (attr rmsd > 4.812)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.917 and attr rmsd > 1.817) 6 6 0 peak 14476 ppm1 4.862 ppm2 1.867 volume 0.1447 assi ((( attr rmsd < 4.912) and (attr rmsd > 4.812)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.917 and attr rmsd > 1.817) 6 6 0 peak 24476 ppm1 4.862 ppm2 1.867 volume 0.1447 assi ((( attr rmsd < 4.911) and (attr rmsd > 4.811)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.605 and attr rmsd > 1.505) 6 6 0 peak 14477 ppm1 4.861 ppm2 1.555 volume 0.2341 assi ((( attr rmsd < 4.911) and (attr rmsd > 4.811)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.605 and attr rmsd > 1.505) 6 6 0 peak 24477 ppm1 4.861 ppm2 1.555 volume 0.2341 assi ((( attr rmsd < 4.914) and (attr rmsd > 4.814)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 14478 ppm1 4.864 ppm2 0.890 volume 0.3645 assi ((( attr rmsd < 4.914) and (attr rmsd > 4.814)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 24478 ppm1 4.864 ppm2 0.890 volume 0.3645 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.214 and attr rmsd > 4.114) 6 6 0 peak 14479 ppm1 4.849 ppm2 4.164 volume 0.3566 assi ((( attr rmsd < 4.899) and (attr rmsd > 4.799)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.214 and attr rmsd > 4.114) 6 6 0 peak 24479 ppm1 4.849 ppm2 4.164 volume 0.3566 assi ((( attr rmsd < 4.877) and (attr rmsd > 4.777)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.836 and attr rmsd > 4.736) 6 6 0 peak 14480 ppm1 4.827 ppm2 4.786 volume 4.1488 assi ((( attr rmsd < 4.877) and (attr rmsd > 4.777)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.836 and attr rmsd > 4.736) 6 6 0 peak 24480 ppm1 4.827 ppm2 4.786 volume 4.1488 assi ((( attr rmsd < 4.868) and (attr rmsd > 4.768)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.852 and attr rmsd > 1.752) 6 6 0 peak 14481 ppm1 4.818 ppm2 1.802 volume 0.2824 assi ((( attr rmsd < 4.868) and (attr rmsd > 4.768)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.852 and attr rmsd > 1.752) 6 6 0 peak 24481 ppm1 4.818 ppm2 1.802 volume 0.2824 assi ((( attr rmsd < 4.824) and (attr rmsd > 4.724)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 14482 ppm1 4.774 ppm2 4.778 volume 3.3102 assi ((( attr rmsd < 4.824) and (attr rmsd > 4.724)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.828 and attr rmsd > 4.728) 6 6 0 peak 24482 ppm1 4.774 ppm2 4.778 volume 3.3102 assi ((( attr rmsd < 4.828) and (attr rmsd > 4.728)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.206 and attr rmsd > 4.106) 6 6 0 peak 14483 ppm1 4.778 ppm2 4.156 volume 0.1725 assi ((( attr rmsd < 4.828) and (attr rmsd > 4.728)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.206 and attr rmsd > 4.106) 6 6 0 peak 24483 ppm1 4.778 ppm2 4.156 volume 0.1725 assi ((( attr rmsd < 4.783) and (attr rmsd > 4.683)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.708 and attr rmsd > 4.608) 6 6 0 peak 14484 ppm1 4.733 ppm2 4.658 volume 1.0909 assi ((( attr rmsd < 4.783) and (attr rmsd > 4.683)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.708 and attr rmsd > 4.608) 6 6 0 peak 24484 ppm1 4.733 ppm2 4.658 volume 1.0909 assi ((( attr rmsd < 4.786) and (attr rmsd > 4.686)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.931 and attr rmsd > 0.831) 6 6 0 peak 14485 ppm1 4.736 ppm2 0.881 volume 0.2017 assi ((( attr rmsd < 4.786) and (attr rmsd > 4.686)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.931 and attr rmsd > 0.831) 6 6 0 peak 24485 ppm1 4.736 ppm2 0.881 volume 0.2017 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.211 and attr rmsd > 4.111) 6 6 0 peak 14486 ppm1 4.710 ppm2 4.161 volume 0.2559 assi ((( attr rmsd < 4.760) and (attr rmsd > 4.660)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.211 and attr rmsd > 4.111) 6 6 0 peak 24486 ppm1 4.710 ppm2 4.161 volume 0.2559 assi ((( attr rmsd < 4.738) and (attr rmsd > 4.638)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.785 and attr rmsd > 4.685) 6 6 0 peak 14487 ppm1 4.688 ppm2 4.735 volume 15.5951 assi ((( attr rmsd < 4.738) and (attr rmsd > 4.638)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.785 and attr rmsd > 4.685) 6 6 0 peak 24487 ppm1 4.688 ppm2 4.735 volume 15.5951 assi ((( attr rmsd < 4.722) and (attr rmsd > 4.622)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 5.645 and attr rmsd > 5.545) 6 6 0 peak 14488 ppm1 4.672 ppm2 5.595 volume 0.1582 assi ((( attr rmsd < 4.722) and (attr rmsd > 4.622)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 5.645 and attr rmsd > 5.545) 6 6 0 peak 24488 ppm1 4.672 ppm2 5.595 volume 0.1582 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 5.474 and attr rmsd > 5.374) 6 6 0 peak 14489 ppm1 4.676 ppm2 5.424 volume 0.1991 assi ((( attr rmsd < 4.726) and (attr rmsd > 4.626)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 5.474 and attr rmsd > 5.374) 6 6 0 peak 24489 ppm1 4.676 ppm2 5.424 volume 0.1991 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.855 and attr rmsd > 1.755) 6 6 0 peak 14490 ppm1 4.680 ppm2 1.805 volume 0.4468 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.855 and attr rmsd > 1.755) 6 6 0 peak 24490 ppm1 4.680 ppm2 1.805 volume 0.4468 assi ((( attr rmsd < 4.724) and (attr rmsd > 4.624)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.698 and attr rmsd > 1.598) 6 6 0 peak 14491 ppm1 4.674 ppm2 1.648 volume 0.1978 assi ((( attr rmsd < 4.724) and (attr rmsd > 4.624)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.698 and attr rmsd > 1.598) 6 6 0 peak 24491 ppm1 4.674 ppm2 1.648 volume 0.1978 assi ((( attr rmsd < 4.728) and (attr rmsd > 4.628)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.491 and attr rmsd > 1.391) 6 6 0 peak 14492 ppm1 4.678 ppm2 1.441 volume 0.1745 assi ((( attr rmsd < 4.728) and (attr rmsd > 4.628)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.491 and attr rmsd > 1.391) 6 6 0 peak 24492 ppm1 4.678 ppm2 1.441 volume 0.1745 assi ((( attr rmsd < 4.724) and (attr rmsd > 4.624)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.415 and attr rmsd > 1.315) 6 6 0 peak 14493 ppm1 4.674 ppm2 1.365 volume 0.1821 assi ((( attr rmsd < 4.724) and (attr rmsd > 4.624)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.415 and attr rmsd > 1.315) 6 6 0 peak 24493 ppm1 4.674 ppm2 1.365 volume 0.1821 assi ((( attr rmsd < 4.692) and (attr rmsd > 4.592)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.501 and attr rmsd > 2.401) 6 6 0 peak 14494 ppm1 4.642 ppm2 2.451 volume 0.3286 assi ((( attr rmsd < 4.692) and (attr rmsd > 4.592)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.501 and attr rmsd > 2.401) 6 6 0 peak 24494 ppm1 4.642 ppm2 2.451 volume 0.3286 assi ((( attr rmsd < 4.688) and (attr rmsd > 4.588)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 5.455 and attr rmsd > 5.355) 6 6 0 peak 14495 ppm1 4.638 ppm2 5.405 volume 0.1762 assi ((( attr rmsd < 4.688) and (attr rmsd > 4.588)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 5.455 and attr rmsd > 5.355) 6 6 0 peak 24495 ppm1 4.638 ppm2 5.405 volume 0.1762 assi ((( attr rmsd < 4.686) and (attr rmsd > 4.586)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.957 and attr rmsd > 2.857) 6 6 0 peak 14496 ppm1 4.636 ppm2 2.907 volume 0.2356 assi ((( attr rmsd < 4.686) and (attr rmsd > 4.586)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.957 and attr rmsd > 2.857) 6 6 0 peak 24496 ppm1 4.636 ppm2 2.907 volume 0.2356 assi ((( attr rmsd < 4.536) and (attr rmsd > 4.436)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.954 and attr rmsd > 1.854) 6 6 0 peak 14497 ppm1 4.486 ppm2 1.904 volume 0.4016 assi ((( attr rmsd < 4.536) and (attr rmsd > 4.436)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.954 and attr rmsd > 1.854) 6 6 0 peak 24497 ppm1 4.486 ppm2 1.904 volume 0.4016 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.979 and attr rmsd > 0.879) 6 6 0 peak 14498 ppm1 4.480 ppm2 0.929 volume 0.5727 assi ((( attr rmsd < 4.530) and (attr rmsd > 4.430)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.979 and attr rmsd > 0.879) 6 6 0 peak 24498 ppm1 4.480 ppm2 0.929 volume 0.5727 assi ((( attr rmsd < 4.485) and (attr rmsd > 4.385)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 14499 ppm1 4.435 ppm2 0.890 volume 0.5710 assi ((( attr rmsd < 4.485) and (attr rmsd > 4.385)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 24499 ppm1 4.435 ppm2 0.890 volume 0.5710 assi ((( attr rmsd < 4.478) and (attr rmsd > 4.378)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.612 and attr rmsd > 1.512) 6 6 0 peak 14500 ppm1 4.428 ppm2 1.562 volume 0.2768 assi ((( attr rmsd < 4.478) and (attr rmsd > 4.378)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.612 and attr rmsd > 1.512) 6 6 0 peak 24500 ppm1 4.428 ppm2 1.562 volume 0.2768 assi ((( attr rmsd < 4.419) and (attr rmsd > 4.319)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.675 and attr rmsd > 1.575) 6 6 0 peak 14501 ppm1 4.369 ppm2 1.625 volume 0.4406 assi ((( attr rmsd < 4.419) and (attr rmsd > 4.319)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.675 and attr rmsd > 1.575) 6 6 0 peak 24501 ppm1 4.369 ppm2 1.625 volume 0.4406 assi ((( attr rmsd < 4.310) and (attr rmsd > 4.210)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.309 and attr rmsd > 4.209) 6 6 0 peak 14502 ppm1 4.260 ppm2 4.259 volume 4.6701 assi ((( attr rmsd < 4.310) and (attr rmsd > 4.210)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.309 and attr rmsd > 4.209) 6 6 0 peak 24502 ppm1 4.260 ppm2 4.259 volume 4.6701 assi ((( attr rmsd < 4.280) and (attr rmsd > 4.180)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.281 and attr rmsd > 4.181) 6 6 0 peak 14503 ppm1 4.230 ppm2 4.231 volume 4.1592 assi ((( attr rmsd < 4.280) and (attr rmsd > 4.180)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.281 and attr rmsd > 4.181) 6 6 0 peak 24503 ppm1 4.230 ppm2 4.231 volume 4.1592 assi ((( attr rmsd < 4.279) and (attr rmsd > 4.179)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.843 and attr rmsd > 1.743) 6 6 0 peak 14504 ppm1 4.229 ppm2 1.793 volume 0.3311 assi ((( attr rmsd < 4.279) and (attr rmsd > 4.179)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.843 and attr rmsd > 1.743) 6 6 0 peak 24504 ppm1 4.229 ppm2 1.793 volume 0.3311 assi ((( attr rmsd < 4.276) and (attr rmsd > 4.176)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.635 and attr rmsd > 1.535) 6 6 0 peak 14505 ppm1 4.226 ppm2 1.585 volume 0.4968 assi ((( attr rmsd < 4.276) and (attr rmsd > 4.176)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.635 and attr rmsd > 1.535) 6 6 0 peak 24505 ppm1 4.226 ppm2 1.585 volume 0.4968 assi ((( attr rmsd < 4.274) and (attr rmsd > 4.174)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.915 and attr rmsd > 0.815) 6 6 0 peak 14506 ppm1 4.224 ppm2 0.865 volume 0.9913 assi ((( attr rmsd < 4.274) and (attr rmsd > 4.174)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.915 and attr rmsd > 0.815) 6 6 0 peak 24506 ppm1 4.224 ppm2 0.865 volume 0.9913 assi ((( attr rmsd < 4.273) and (attr rmsd > 4.173)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.737 and attr rmsd > 0.637) 6 6 0 peak 14507 ppm1 4.223 ppm2 0.687 volume 0.1510 assi ((( attr rmsd < 4.273) and (attr rmsd > 4.173)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.737 and attr rmsd > 0.637) 6 6 0 peak 24507 ppm1 4.223 ppm2 0.687 volume 0.1510 assi ((( attr rmsd < 4.194) and (attr rmsd > 4.094)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.198 and attr rmsd > 4.098) 6 6 0 peak 14508 ppm1 4.144 ppm2 4.148 volume 5.1902 assi ((( attr rmsd < 4.194) and (attr rmsd > 4.094)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.198 and attr rmsd > 4.098) 6 6 0 peak 24508 ppm1 4.144 ppm2 4.148 volume 5.1902 assi ((( attr rmsd < 4.197) and (attr rmsd > 4.097)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.837 and attr rmsd > 1.737) 6 6 0 peak 14509 ppm1 4.147 ppm2 1.787 volume 0.1618 assi ((( attr rmsd < 4.197) and (attr rmsd > 4.097)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.837 and attr rmsd > 1.737) 6 6 0 peak 24509 ppm1 4.147 ppm2 1.787 volume 0.1618 assi ((( attr rmsd < 4.193) and (attr rmsd > 4.093)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.580 and attr rmsd > 1.480) 6 6 0 peak 14510 ppm1 4.143 ppm2 1.530 volume 1.2214 assi ((( attr rmsd < 4.193) and (attr rmsd > 4.093)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.580 and attr rmsd > 1.480) 6 6 0 peak 24510 ppm1 4.143 ppm2 1.530 volume 1.2214 assi ((( attr rmsd < 3.903) and (attr rmsd > 3.803)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 14511 ppm1 3.853 ppm2 3.591 volume 0.8926 assi ((( attr rmsd < 3.903) and (attr rmsd > 3.803)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.641 and attr rmsd > 3.541) 6 6 0 peak 24511 ppm1 3.853 ppm2 3.591 volume 0.8926 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.565 and attr rmsd > 3.465) 6 6 0 peak 14512 ppm1 3.810 ppm2 3.515 volume 1.1825 assi ((( attr rmsd < 3.860) and (attr rmsd > 3.760)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.565 and attr rmsd > 3.465) 6 6 0 peak 24512 ppm1 3.810 ppm2 3.515 volume 1.1825 assi ((( attr rmsd < 3.865) and (attr rmsd > 3.765)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.904 and attr rmsd > 1.804) 6 6 0 peak 14513 ppm1 3.815 ppm2 1.854 volume 0.2932 assi ((( attr rmsd < 3.865) and (attr rmsd > 3.765)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.904 and attr rmsd > 1.804) 6 6 0 peak 24513 ppm1 3.815 ppm2 1.854 volume 0.2932 assi ((( attr rmsd < 3.871) and (attr rmsd > 3.771)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.793 and attr rmsd > 0.693) 6 6 0 peak 14514 ppm1 3.821 ppm2 0.743 volume 0.2149 assi ((( attr rmsd < 3.871) and (attr rmsd > 3.771)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.793 and attr rmsd > 0.693) 6 6 0 peak 24514 ppm1 3.821 ppm2 0.743 volume 0.2149 assi ((( attr rmsd < 3.827) and (attr rmsd > 3.727)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.751 and attr rmsd > 0.651) 6 6 0 peak 14515 ppm1 3.777 ppm2 0.701 volume 0.2357 assi ((( attr rmsd < 3.827) and (attr rmsd > 3.727)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.751 and attr rmsd > 0.651) 6 6 0 peak 24515 ppm1 3.777 ppm2 0.701 volume 0.2357 assi ((( attr rmsd < 3.812) and (attr rmsd > 3.712)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.833 and attr rmsd > 3.733) 6 6 0 peak 14516 ppm1 3.762 ppm2 3.783 volume 1.3591 assi ((( attr rmsd < 3.812) and (attr rmsd > 3.712)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.833 and attr rmsd > 3.733) 6 6 0 peak 24516 ppm1 3.762 ppm2 3.783 volume 1.3591 assi ((( attr rmsd < 3.816) and (attr rmsd > 3.716)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.639 and attr rmsd > 3.539) 6 6 0 peak 14517 ppm1 3.766 ppm2 3.589 volume 1.0314 assi ((( attr rmsd < 3.816) and (attr rmsd > 3.716)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.639 and attr rmsd > 3.539) 6 6 0 peak 24517 ppm1 3.766 ppm2 3.589 volume 1.0314 assi ((( attr rmsd < 3.825) and (attr rmsd > 3.725)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.342 and attr rmsd > 1.242) 6 6 0 peak 14518 ppm1 3.775 ppm2 1.292 volume 0.3522 assi ((( attr rmsd < 3.825) and (attr rmsd > 3.725)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.342 and attr rmsd > 1.242) 6 6 0 peak 24518 ppm1 3.775 ppm2 1.292 volume 0.3522 assi ((( attr rmsd < 3.786) and (attr rmsd > 3.686)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.651 and attr rmsd > 3.551) 6 6 0 peak 14519 ppm1 3.736 ppm2 3.601 volume 1.3341 assi ((( attr rmsd < 3.786) and (attr rmsd > 3.686)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.651 and attr rmsd > 3.551) 6 6 0 peak 24519 ppm1 3.736 ppm2 3.601 volume 1.3341 assi ((( attr rmsd < 3.729) and (attr rmsd > 3.629)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.872 and attr rmsd > 3.772) 6 6 0 peak 14520 ppm1 3.679 ppm2 3.822 volume 1.0650 assi ((( attr rmsd < 3.729) and (attr rmsd > 3.629)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.872 and attr rmsd > 3.772) 6 6 0 peak 24520 ppm1 3.679 ppm2 3.822 volume 1.0650 assi ((( attr rmsd < 3.665) and (attr rmsd > 3.565)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.737 and attr rmsd > 3.637) 6 6 0 peak 14521 ppm1 3.615 ppm2 3.687 volume 2.5825 assi ((( attr rmsd < 3.665) and (attr rmsd > 3.565)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.737 and attr rmsd > 3.637) 6 6 0 peak 24521 ppm1 3.615 ppm2 3.687 volume 2.5825 assi ((( attr rmsd < 3.642) and (attr rmsd > 3.542)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.855 and attr rmsd > 3.755) 6 6 0 peak 14522 ppm1 3.592 ppm2 3.805 volume 1.1800 assi ((( attr rmsd < 3.642) and (attr rmsd > 3.542)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.855 and attr rmsd > 3.755) 6 6 0 peak 24522 ppm1 3.592 ppm2 3.805 volume 1.1800 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 14523 ppm1 3.582 ppm2 3.596 volume 2.9940 assi ((( attr rmsd < 3.632) and (attr rmsd > 3.532)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.646 and attr rmsd > 3.546) 6 6 0 peak 24523 ppm1 3.582 ppm2 3.596 volume 2.9940 assi ((( attr rmsd < 3.599) and (attr rmsd > 3.499)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.732 and attr rmsd > 3.632) 6 6 0 peak 14524 ppm1 3.549 ppm2 3.682 volume 2.4554 assi ((( attr rmsd < 3.599) and (attr rmsd > 3.499)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.732 and attr rmsd > 3.632) 6 6 0 peak 24524 ppm1 3.549 ppm2 3.682 volume 2.4554 assi ((( attr rmsd < 3.175) and (attr rmsd > 3.075)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.048 and attr rmsd > 2.948) 6 6 0 peak 14525 ppm1 3.125 ppm2 2.998 volume 0.4595 assi ((( attr rmsd < 3.175) and (attr rmsd > 3.075)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.048 and attr rmsd > 2.948) 6 6 0 peak 24525 ppm1 3.125 ppm2 2.998 volume 0.4595 assi ((( attr rmsd < 3.083) and (attr rmsd > 2.983)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.087 and attr rmsd > 2.987) 6 6 0 peak 14526 ppm1 3.033 ppm2 3.037 volume 1.3784 assi ((( attr rmsd < 3.083) and (attr rmsd > 2.983)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.087 and attr rmsd > 2.987) 6 6 0 peak 24526 ppm1 3.033 ppm2 3.037 volume 1.3784 assi ((( attr rmsd < 3.038) and (attr rmsd > 2.938)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 3.242 and attr rmsd > 3.142) 6 6 0 peak 14527 ppm1 2.988 ppm2 3.192 volume 1.0907 assi ((( attr rmsd < 3.038) and (attr rmsd > 2.938)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 3.242 and attr rmsd > 3.142) 6 6 0 peak 24527 ppm1 2.988 ppm2 3.192 volume 1.0907 assi ((( attr rmsd < 3.028) and (attr rmsd > 2.928)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.965 and attr rmsd > 2.865) 6 6 0 peak 14528 ppm1 2.978 ppm2 2.915 volume 0.1601 assi ((( attr rmsd < 3.028) and (attr rmsd > 2.928)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.965 and attr rmsd > 2.865) 6 6 0 peak 24528 ppm1 2.978 ppm2 2.915 volume 0.1601 assi ((( attr rmsd < 2.536) and (attr rmsd > 2.436)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.064 and attr rmsd > 1.964) 6 6 0 peak 14529 ppm1 2.486 ppm2 2.014 volume 0.3231 assi ((( attr rmsd < 2.536) and (attr rmsd > 2.436)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.064 and attr rmsd > 1.964) 6 6 0 peak 24529 ppm1 2.486 ppm2 2.014 volume 0.3231 assi ((( attr rmsd < 2.294) and (attr rmsd > 2.194)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.323 and attr rmsd > 2.223) 6 6 0 peak 14530 ppm1 2.244 ppm2 2.273 volume 0.2704 assi ((( attr rmsd < 2.294) and (attr rmsd > 2.194)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.323 and attr rmsd > 2.223) 6 6 0 peak 24530 ppm1 2.244 ppm2 2.273 volume 0.2704 assi ((( attr rmsd < 2.250) and (attr rmsd > 2.150)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.277 and attr rmsd > 2.177) 6 6 0 peak 14531 ppm1 2.200 ppm2 2.227 volume 0.2433 assi ((( attr rmsd < 2.250) and (attr rmsd > 2.150)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.277 and attr rmsd > 2.177) 6 6 0 peak 24531 ppm1 2.200 ppm2 2.227 volume 0.2433 assi ((( attr rmsd < 2.158) and (attr rmsd > 2.058)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 14532 ppm1 2.108 ppm2 2.111 volume 0.9857 assi ((( attr rmsd < 2.158) and (attr rmsd > 2.058)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.161 and attr rmsd > 2.061) 6 6 0 peak 24532 ppm1 2.108 ppm2 2.111 volume 0.9857 assi ((( attr rmsd < 2.086) and (attr rmsd > 1.986)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.998 and attr rmsd > 1.898) 6 6 0 peak 14533 ppm1 2.036 ppm2 1.948 volume 0.5826 assi ((( attr rmsd < 2.086) and (attr rmsd > 1.986)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.998 and attr rmsd > 1.898) 6 6 0 peak 24533 ppm1 2.036 ppm2 1.948 volume 0.5826 assi ((( attr rmsd < 2.064) and (attr rmsd > 1.964)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.540 and attr rmsd > 2.440) 6 6 0 peak 14534 ppm1 2.014 ppm2 2.490 volume 0.3350 assi ((( attr rmsd < 2.064) and (attr rmsd > 1.964)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.540 and attr rmsd > 2.440) 6 6 0 peak 24534 ppm1 2.014 ppm2 2.490 volume 0.3350 assi ((( attr rmsd < 2.008) and (attr rmsd > 1.908)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 2.089 and attr rmsd > 1.989) 6 6 0 peak 14535 ppm1 1.958 ppm2 2.039 volume 0.5126 assi ((( attr rmsd < 2.008) and (attr rmsd > 1.908)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 2.089 and attr rmsd > 1.989) 6 6 0 peak 24535 ppm1 1.958 ppm2 2.039 volume 0.5126 assi ((( attr rmsd < 1.846) and (attr rmsd > 1.746)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.584 and attr rmsd > 1.484) 6 6 0 peak 14536 ppm1 1.796 ppm2 1.534 volume 0.2779 assi ((( attr rmsd < 1.846) and (attr rmsd > 1.746)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.584 and attr rmsd > 1.484) 6 6 0 peak 24536 ppm1 1.796 ppm2 1.534 volume 0.2779 assi ((( attr rmsd < 1.674) and (attr rmsd > 1.574)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.413 and attr rmsd > 4.313) 6 6 0 peak 14537 ppm1 1.624 ppm2 4.363 volume 0.1639 assi ((( attr rmsd < 1.674) and (attr rmsd > 1.574)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.413 and attr rmsd > 4.313) 6 6 0 peak 24537 ppm1 1.624 ppm2 4.363 volume 0.1639 assi ((( attr rmsd < 1.602) and (attr rmsd > 1.502)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.839 and attr rmsd > 1.739) 6 6 0 peak 14538 ppm1 1.552 ppm2 1.789 volume 0.1626 assi ((( attr rmsd < 1.602) and (attr rmsd > 1.502)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.839 and attr rmsd > 1.739) 6 6 0 peak 24538 ppm1 1.552 ppm2 1.789 volume 0.1626 assi ((( attr rmsd < 1.594) and (attr rmsd > 1.494)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.732 and attr rmsd > 1.632) 6 6 0 peak 14539 ppm1 1.544 ppm2 1.682 volume 0.1680 assi ((( attr rmsd < 1.594) and (attr rmsd > 1.494)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.732 and attr rmsd > 1.632) 6 6 0 peak 24539 ppm1 1.544 ppm2 1.682 volume 0.1680 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 14540 ppm1 1.527 ppm2 4.142 volume 0.3054 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 4.192 and attr rmsd > 4.092) 6 6 0 peak 24540 ppm1 1.527 ppm2 4.142 volume 0.3054 assi ((( attr rmsd < 1.566) and (attr rmsd > 1.466)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.569 and attr rmsd > 1.469) 6 6 0 peak 14541 ppm1 1.516 ppm2 1.519 volume 0.7481 assi ((( attr rmsd < 1.566) and (attr rmsd > 1.466)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.569 and attr rmsd > 1.469) 6 6 0 peak 24541 ppm1 1.516 ppm2 1.519 volume 0.7481 assi ((( attr rmsd < 1.488) and (attr rmsd > 1.388)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.491 and attr rmsd > 1.391) 6 6 0 peak 14542 ppm1 1.438 ppm2 1.441 volume 0.3953 assi ((( attr rmsd < 1.488) and (attr rmsd > 1.388)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.491 and attr rmsd > 1.391) 6 6 0 peak 24542 ppm1 1.438 ppm2 1.441 volume 0.3953 assi ((( attr rmsd < 1.358) and (attr rmsd > 1.258)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.366 and attr rmsd > 1.266) 6 6 0 peak 14543 ppm1 1.308 ppm2 1.316 volume 0.2300 assi ((( attr rmsd < 1.358) and (attr rmsd > 1.258)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.366 and attr rmsd > 1.266) 6 6 0 peak 24543 ppm1 1.308 ppm2 1.316 volume 0.2300 assi ((( attr rmsd < 1.249) and (attr rmsd > 1.149)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 14544 ppm1 1.199 ppm2 1.204 volume 0.8155 assi ((( attr rmsd < 1.249) and (attr rmsd > 1.149)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 24544 ppm1 1.199 ppm2 1.204 volume 0.8155 assi ((( attr rmsd < 1.004) and (attr rmsd > 0.904)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.147 and attr rmsd > 1.047) 6 6 0 peak 14545 ppm1 0.954 ppm2 1.097 volume 0.1850 assi ((( attr rmsd < 1.004) and (attr rmsd > 0.904)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.147 and attr rmsd > 1.047) 6 6 0 peak 24545 ppm1 0.954 ppm2 1.097 volume 0.1850 assi ((( attr rmsd < 1.005) and (attr rmsd > 0.905)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 14546 ppm1 0.955 ppm2 0.966 volume 2.9251 assi ((( attr rmsd < 1.005) and (attr rmsd > 0.905)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.016 and attr rmsd > 0.916) 6 6 0 peak 24546 ppm1 0.955 ppm2 0.966 volume 2.9251 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.985 and attr rmsd > 0.885) 6 6 0 peak 14547 ppm1 0.930 ppm2 0.935 volume 3.0390 assi ((( attr rmsd < 0.980) and (attr rmsd > 0.880)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.985 and attr rmsd > 0.885) 6 6 0 peak 24547 ppm1 0.930 ppm2 0.935 volume 3.0390 assi ((( attr rmsd < 0.934) and (attr rmsd > 0.834)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 14548 ppm1 0.884 ppm2 0.890 volume 3.0060 assi ((( attr rmsd < 0.934) and (attr rmsd > 0.834)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.940 and attr rmsd > 0.840) 6 6 0 peak 24548 ppm1 0.884 ppm2 0.890 volume 3.0060 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 14549 ppm1 0.853 ppm2 0.858 volume 2.5420 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.908 and attr rmsd > 0.808) 6 6 0 peak 24549 ppm1 0.853 ppm2 0.858 volume 2.5420 assi ((( attr rmsd < 0.882) and (attr rmsd > 0.782)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 1.796 and attr rmsd > 1.696) 6 6 0 peak 14550 ppm1 0.832 ppm2 1.746 volume 0.1832 assi ((( attr rmsd < 0.882) and (attr rmsd > 0.782)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 1.796 and attr rmsd > 1.696) 6 6 0 peak 24550 ppm1 0.832 ppm2 1.746 volume 0.1832 assi ((( attr rmsd < 0.814) and (attr rmsd > 0.714)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.819 and attr rmsd > 0.719) 6 6 0 peak 14551 ppm1 0.764 ppm2 0.769 volume 1.1733 assi ((( attr rmsd < 0.814) and (attr rmsd > 0.714)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.819 and attr rmsd > 0.719) 6 6 0 peak 24551 ppm1 0.764 ppm2 0.769 volume 1.1733 assi ((( attr rmsd < 0.705) and (attr rmsd > 0.605)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.709 and attr rmsd > 0.609) 6 6 0 peak 14552 ppm1 0.655 ppm2 0.659 volume 0.5771 assi ((( attr rmsd < 0.705) and (attr rmsd > 0.605)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.709 and attr rmsd > 0.609) 6 6 0 peak 24552 ppm1 0.655 ppm2 0.659 volume 0.5771 assi ((( attr rmsd < 0.688) and (attr rmsd > 0.588)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.830 and attr rmsd > 0.730) 6 6 0 peak 14553 ppm1 0.638 ppm2 0.780 volume 0.1469 assi ((( attr rmsd < 0.688) and (attr rmsd > 0.588)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.830 and attr rmsd > 0.730) 6 6 0 peak 24553 ppm1 0.638 ppm2 0.780 volume 0.1469 assi ((( attr rmsd < 0.625) and (attr rmsd > 0.525)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.628 and attr rmsd > 0.528) 6 6 0 peak 14554 ppm1 0.575 ppm2 0.578 volume 0.2240 assi ((( attr rmsd < 0.625) and (attr rmsd > 0.525)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.628 and attr rmsd > 0.528) 6 6 0 peak 24554 ppm1 0.575 ppm2 0.578 volume 0.2240 assi ((( attr rmsd < 0.576) and (attr rmsd > 0.476)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.583 and attr rmsd > 0.483) 6 6 0 peak 14555 ppm1 0.526 ppm2 0.533 volume 0.2365 assi ((( attr rmsd < 0.576) and (attr rmsd > 0.476)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.583 and attr rmsd > 0.483) 6 6 0 peak 24555 ppm1 0.526 ppm2 0.533 volume 0.2365 assi ((( attr rmsd < 0.435) and (attr rmsd > 0.335)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 0.426 and attr rmsd > 0.326) 6 6 0 peak 14556 ppm1 0.385 ppm2 0.376 volume 0.1598 assi ((( attr rmsd < 0.435) and (attr rmsd > 0.335)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 0.426 and attr rmsd > 0.326) 6 6 0 peak 24556 ppm1 0.385 ppm2 0.376 volume 0.1598 assi ((( attr rmsd < 4.961) and (attr rmsd > 4.861)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.939 and attr rmsd > 4.839) 6 6 0 peak 4557 ppm1 4.911 ppm2 4.889 volume 3.6597 assi ((( attr rmsd < 4.916) and (attr rmsd > 4.816)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.902 and attr rmsd > 4.802) 6 6 0 peak 4558 ppm1 4.866 ppm2 4.852 volume 6.6535 assi ((( attr rmsd < 4.897) and (attr rmsd > 4.797)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.777 and attr rmsd > 4.677) 6 6 0 peak 4559 ppm1 4.847 ppm2 4.727 volume 6.9651 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 4560 ppm1 4.838 ppm2 3.595 volume 0.3731 assi ((( attr rmsd < 4.795) and (attr rmsd > 4.695)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.917 and attr rmsd > 4.817) 6 6 0 peak 4561 ppm1 4.745 ppm2 4.867 volume 0.4679 assi ((( attr rmsd < 4.757) and (attr rmsd > 4.657)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.648 and attr rmsd > 3.548) 6 6 0 peak 4562 ppm1 4.707 ppm2 3.598 volume 0.5140 assi ((( attr rmsd < 4.743) and (attr rmsd > 4.643)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.700 and attr rmsd > 4.600) 6 6 0 peak 4563 ppm1 4.693 ppm2 4.650 volume 8.6077 assi ((( attr rmsd < 4.741) and (attr rmsd > 4.641)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.188 and attr rmsd > 3.088) 6 6 0 peak 4564 ppm1 4.691 ppm2 3.138 volume 0.1856 assi ((( attr rmsd < 4.675) and (attr rmsd > 4.575)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.609 and attr rmsd > 4.509) 6 6 0 peak 4565 ppm1 4.625 ppm2 4.559 volume 0.8179 assi ((( attr rmsd < 4.662) and (attr rmsd > 4.562)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.181 and attr rmsd > 3.081) 6 6 0 peak 4566 ppm1 4.612 ppm2 3.131 volume 0.1625 assi ((( attr rmsd < 4.620) and (attr rmsd > 4.520)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.537 and attr rmsd > 4.437) 6 6 0 peak 4567 ppm1 4.570 ppm2 4.487 volume 1.0002 assi ((( attr rmsd < 3.903) and (attr rmsd > 3.803)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.557 and attr rmsd > 3.457) 6 6 0 peak 4568 ppm1 3.853 ppm2 3.507 volume 0.2840 assi ((( attr rmsd < 3.863) and (attr rmsd > 3.763)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.645 and attr rmsd > 3.545) 6 6 0 peak 4569 ppm1 3.813 ppm2 3.595 volume 3.0687 assi ((( attr rmsd < 3.829) and (attr rmsd > 3.729)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.732 and attr rmsd > 3.632) 6 6 0 peak 4570 ppm1 3.779 ppm2 3.682 volume 1.2385 assi ((( attr rmsd < 3.792) and (attr rmsd > 3.692)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.559 and attr rmsd > 3.459) 6 6 0 peak 4571 ppm1 3.742 ppm2 3.509 volume 0.2395 assi ((( attr rmsd < 3.727) and (attr rmsd > 3.627)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.649 and attr rmsd > 3.549) 6 6 0 peak 4572 ppm1 3.677 ppm2 3.599 volume 11.7235 assi ((( attr rmsd < 3.680) and (attr rmsd > 3.580)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.846 and attr rmsd > 3.746) 6 6 0 peak 4573 ppm1 3.630 ppm2 3.796 volume 0.3810 assi ((( attr rmsd < 3.668) and (attr rmsd > 3.568)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.637 and attr rmsd > 3.537) 6 6 0 peak 4574 ppm1 3.618 ppm2 3.587 volume 3.8996 assi ((( attr rmsd < 3.597) and (attr rmsd > 3.497)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.635 and attr rmsd > 3.535) 6 6 0 peak 4575 ppm1 3.547 ppm2 3.585 volume 1.9494 assi ((( attr rmsd < 3.581) and (attr rmsd > 3.481)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.847 and attr rmsd > 3.747) 6 6 0 peak 4576 ppm1 3.531 ppm2 3.797 volume 0.1518 assi ((( attr rmsd < 3.246) and (attr rmsd > 3.146)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 2.975 and attr rmsd > 2.875) 6 6 0 peak 4577 ppm1 3.196 ppm2 2.925 volume 0.2902 assi ((( attr rmsd < 3.175) and (attr rmsd > 3.075)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 4578 ppm1 3.125 ppm2 3.128 volume 5.9057 assi ((( attr rmsd < 3.021) and (attr rmsd > 2.921)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.031 and attr rmsd > 2.931) 6 6 0 peak 4579 ppm1 2.971 ppm2 2.981 volume 0.6615 assi ((( attr rmsd < 2.527) and (attr rmsd > 2.427)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 4580 ppm1 2.477 ppm2 4.620 volume 0.8324 assi ((( attr rmsd < 2.526) and (attr rmsd > 2.426)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 2.184 and attr rmsd > 2.084) 6 6 0 peak 4581 ppm1 2.476 ppm2 2.134 volume 0.4818 assi ((( attr rmsd < 2.529) and (attr rmsd > 2.429)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 1.834 and attr rmsd > 1.734) 6 6 0 peak 4582 ppm1 2.479 ppm2 1.784 volume 1.0913 assi ((( attr rmsd < 1.893) and (attr rmsd > 1.793)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 1.690 and attr rmsd > 1.590) 6 6 0 peak 4583 ppm1 1.843 ppm2 1.640 volume 0.5300 assi ((( attr rmsd < 1.850) and (attr rmsd > 1.750)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.403 and attr rmsd > 4.303) 6 6 0 peak 4584 ppm1 1.800 ppm2 4.353 volume 0.2224 assi ((( attr rmsd < 1.828) and (attr rmsd > 1.728)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 4.676 and attr rmsd > 4.576) 6 6 0 peak 4585 ppm1 1.778 ppm2 4.626 volume 0.5806 assi ((( attr rmsd < 1.832) and (attr rmsd > 1.732)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.288 and attr rmsd > 3.188) 6 6 0 peak 4586 ppm1 1.782 ppm2 3.238 volume 0.1488 assi ((( attr rmsd < 1.827) and (attr rmsd > 1.727)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 2.532 and attr rmsd > 2.432) 6 6 0 peak 4587 ppm1 1.777 ppm2 2.482 volume 1.0232 assi ((( attr rmsd < 1.807) and (attr rmsd > 1.707)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 3.607 and attr rmsd > 3.507) 6 6 0 peak 4588 ppm1 1.757 ppm2 3.557 volume 0.3543 assi ((( attr rmsd < 1.792) and (attr rmsd > 1.692)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 0.424 and attr rmsd > 0.324) 6 6 0 peak 4589 ppm1 1.742 ppm2 0.374 volume 0.4425 assi ((( attr rmsd < 1.704) and (attr rmsd > 1.604)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 1.872 and attr rmsd > 1.772) 6 6 0 peak 4590 ppm1 1.654 ppm2 1.822 volume 0.2165 assi ((( attr rmsd < 0.417) and (attr rmsd > 0.317)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 1.797 and attr rmsd > 1.697) 6 6 0 peak 4591 ppm1 0.367 ppm2 1.747 volume 0.1593 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.277 and attr rmsd > 8.177) 6 6 0 peak 4592 ppm1 3.822 ppm2 8.227 volume 0.1366 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.277 and attr rmsd > 8.177) 6 6 0 peak 4593 ppm1 3.822 ppm2 8.227 volume 0.0797 assi ((( attr rmsd < 3.828) and (attr rmsd > 3.728)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.089 and attr rmsd > 7.989) 6 6 0 peak 4594 ppm1 3.778 ppm2 8.039 volume 0.1103 assi ((( attr rmsd < 3.882) and (attr rmsd > 3.782)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 7.835 and attr rmsd > 7.735) 6 6 0 peak 4595 ppm1 3.832 ppm2 7.785 volume 0.0731 assi ((( attr rmsd < 3.830) and (attr rmsd > 3.730)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 7.315 and attr rmsd > 7.215) 6 6 0 peak 4596 ppm1 3.780 ppm2 7.265 volume 0.1043 assi ((( attr rmsd < 5.463) and (attr rmsd > 5.363)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 6.609 and attr rmsd > 6.509) 6 6 0 peak 4597 ppm1 5.413 ppm2 6.559 volume 0.0942 assi ((( attr rmsd < 4.813) and (attr rmsd > 4.713)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 5.458 and attr rmsd > 5.358) 6 6 0 peak 4598 ppm1 4.763 ppm2 5.408 volume 0.0965 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.277 and attr rmsd > 8.177) 6 6 0 peak 4599 ppm1 3.822 ppm2 8.227 volume 0.1366 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.277 and attr rmsd > 8.177) 6 6 0 peak 4600 ppm1 3.822 ppm2 8.227 volume 0.0797 assi ((( attr rmsd < 3.298) and (attr rmsd > 3.198)) ( attr rmsd < 7.247 and attr rmsd > 7.147) 6 6 0 peak 4601 ppm1 3.248 ppm2 7.197 volume 0.1103 assi ((( attr rmsd < 3.298) and (attr rmsd > 3.198)) and bondedto(attr rmsd < 78.672 and attr rmsd > 77.672)) ( attr rmsd < 7.247 and attr rmsd > 7.147) 6 6 0 peak 14601 ppm1 3.248 ppm2 7.197 volume 0.1103 assi ((( attr rmsd < 3.298) and (attr rmsd > 3.198)) and bondedto(attr rmsd < 31.152 and attr rmsd > 30.152)) ( attr rmsd < 7.247 and attr rmsd > 7.147) 6 6 0 peak 24601 ppm1 3.248 ppm2 7.197 volume 0.1103 assi ((( attr rmsd < 3.018) and (attr rmsd > 2.918)) ( attr rmsd < 7.247 and attr rmsd > 7.147) 6 6 0 peak 4602 ppm1 2.968 ppm2 7.197 volume 0.1063 assi ((( attr rmsd < 3.018) and (attr rmsd > 2.918)) and bondedto(attr rmsd < 78.672 and attr rmsd > 77.672)) ( attr rmsd < 7.247 and attr rmsd > 7.147) 6 6 0 peak 14602 ppm1 2.968 ppm2 7.197 volume 0.1063 assi ((( attr rmsd < 3.018) and (attr rmsd > 2.918)) and bondedto(attr rmsd < 31.152 and attr rmsd > 30.152)) ( attr rmsd < 7.247 and attr rmsd > 7.147) 6 6 0 peak 24602 ppm1 2.968 ppm2 7.197 volume 0.1063 assi ((( attr rmsd < 3.010) and (attr rmsd > 2.910)) and bondedto(attr rmsd < 78.672 and attr rmsd > 77.672)) ( attr rmsd < 8.215 and attr rmsd > 8.115) 6 6 0 peak 14603 ppm1 2.960 ppm2 8.165 volume 0.0687 assi ((( attr rmsd < 3.010) and (attr rmsd > 2.910)) and bondedto(attr rmsd < 31.152 and attr rmsd > 30.152)) ( attr rmsd < 8.215 and attr rmsd > 8.115) 6 6 0 peak 24603 ppm1 2.960 ppm2 8.165 volume 0.0687 assi ((( attr rmsd < 0.948) and (attr rmsd > 0.848)) and bondedto(attr rmsd < 78.485 and attr rmsd > 77.485)) ( attr rmsd < 6.942 and attr rmsd > 6.842) 6 6 0 peak 14604 ppm1 0.898 ppm2 6.892 volume 0.0882 assi ((( attr rmsd < 0.948) and (attr rmsd > 0.848)) and bondedto(attr rmsd < 30.965 and attr rmsd > 29.965)) ( attr rmsd < 6.942 and attr rmsd > 6.842) 6 6 0 peak 24604 ppm1 0.898 ppm2 6.892 volume 0.0882 assi ((( attr rmsd < 0.999) and (attr rmsd > 0.899)) and bondedto(attr rmsd < 78.485 and attr rmsd > 77.485)) ( attr rmsd < 8.142 and attr rmsd > 8.042) 6 6 0 peak 14605 ppm1 0.949 ppm2 8.092 volume 0.0658 assi ((( attr rmsd < 0.999) and (attr rmsd > 0.899)) and bondedto(attr rmsd < 30.965 and attr rmsd > 29.965)) ( attr rmsd < 8.142 and attr rmsd > 8.042) 6 6 0 peak 24605 ppm1 0.949 ppm2 8.092 volume 0.0658 assi ((( attr rmsd < 0.935) and (attr rmsd > 0.835)) and bondedto(attr rmsd < 78.485 and attr rmsd > 77.485)) ( attr rmsd < 8.706 and attr rmsd > 8.606) 6 6 0 peak 14606 ppm1 0.885 ppm2 8.656 volume 0.0637 assi ((( attr rmsd < 0.935) and (attr rmsd > 0.835)) and bondedto(attr rmsd < 30.965 and attr rmsd > 29.965)) ( attr rmsd < 8.706 and attr rmsd > 8.606) 6 6 0 peak 24606 ppm1 0.885 ppm2 8.656 volume 0.0637 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 8.277 and attr rmsd > 8.177) 6 6 0 peak 4607 ppm1 3.822 ppm2 8.227 volume 0.0797 assi ((( attr rmsd < 2.368) and (attr rmsd > 2.268)) and bondedto(attr rmsd < 77.924 and attr rmsd > 76.924)) ( attr rmsd < 7.713 and attr rmsd > 7.613) 6 6 0 peak 14608 ppm1 2.318 ppm2 7.663 volume 0.1173 assi ((( attr rmsd < 2.368) and (attr rmsd > 2.268)) and bondedto(attr rmsd < 30.404 and attr rmsd > 29.404)) ( attr rmsd < 7.713 and attr rmsd > 7.613) 6 6 0 peak 24608 ppm1 2.318 ppm2 7.663 volume 0.1173 assi ((( attr rmsd < 2.363) and (attr rmsd > 2.263)) and bondedto(attr rmsd < 77.924 and attr rmsd > 76.924)) ( attr rmsd < 8.044 and attr rmsd > 7.944) 6 6 0 peak 14609 ppm1 2.313 ppm2 7.994 volume 0.0706 assi ((( attr rmsd < 2.363) and (attr rmsd > 2.263)) and bondedto(attr rmsd < 30.404 and attr rmsd > 29.404)) ( attr rmsd < 8.044 and attr rmsd > 7.944) 6 6 0 peak 24609 ppm1 2.313 ppm2 7.994 volume 0.0706 assi ((( attr rmsd < 5.117) and (attr rmsd > 5.017)) and bondedto(attr rmsd < 53.415 and attr rmsd > 52.415)) ( attr rmsd < 9.191 and attr rmsd > 9.091) 6 6 0 peak 4610 ppm1 5.067 ppm2 9.141 volume 0.0929 assi ((( attr rmsd < 1.587) and (attr rmsd > 1.487)) and bondedto(attr rmsd < 76.988 and attr rmsd > 75.988)) ( attr rmsd < 5.681 and attr rmsd > 5.581) 6 6 0 peak 14611 ppm1 1.537 ppm2 5.631 volume 0.1389 assi ((( attr rmsd < 1.587) and (attr rmsd > 1.487)) and bondedto(attr rmsd < 29.468 and attr rmsd > 28.468)) ( attr rmsd < 5.681 and attr rmsd > 5.581) 6 6 0 peak 24611 ppm1 1.537 ppm2 5.631 volume 0.1389 assi ((( attr rmsd < 1.589) and (attr rmsd > 1.489)) and bondedto(attr rmsd < 76.988 and attr rmsd > 75.988)) ( attr rmsd < 8.396 and attr rmsd > 8.296) 6 6 0 peak 14612 ppm1 1.539 ppm2 8.346 volume 0.0796 assi ((( attr rmsd < 1.589) and (attr rmsd > 1.489)) and bondedto(attr rmsd < 29.468 and attr rmsd > 28.468)) ( attr rmsd < 8.396 and attr rmsd > 8.296) 6 6 0 peak 24612 ppm1 1.539 ppm2 8.346 volume 0.0796 assi ((( attr rmsd < 1.373) and (attr rmsd > 1.273)) and bondedto(attr rmsd < 75.866 and attr rmsd > 74.866)) ( attr rmsd < 6.600 and attr rmsd > 6.500) 6 6 0 peak 14613 ppm1 1.323 ppm2 6.550 volume 0.1009 assi ((( attr rmsd < 1.373) and (attr rmsd > 1.273)) and bondedto(attr rmsd < 28.346 and attr rmsd > 27.346)) ( attr rmsd < 6.600 and attr rmsd > 6.500) 6 6 0 peak 24613 ppm1 1.323 ppm2 6.550 volume 0.1009 assi ((( attr rmsd < 0.801) and (attr rmsd > 0.701)) and bondedto(attr rmsd < 75.866 and attr rmsd > 74.866)) ( attr rmsd < 8.911 and attr rmsd > 8.811) 6 6 0 peak 14614 ppm1 0.751 ppm2 8.861 volume 0.0891 assi ((( attr rmsd < 0.801) and (attr rmsd > 0.701)) and bondedto(attr rmsd < 28.346 and attr rmsd > 27.346)) ( attr rmsd < 8.911 and attr rmsd > 8.811) 6 6 0 peak 24614 ppm1 0.751 ppm2 8.861 volume 0.0891 assi ((( attr rmsd < 1.801) and (attr rmsd > 1.701)) and bondedto(attr rmsd < 75.118 and attr rmsd > 74.118)) ( attr rmsd < 7.557 and attr rmsd > 7.457) 6 6 0 peak 14615 ppm1 1.751 ppm2 7.507 volume 0.0898 assi ((( attr rmsd < 1.801) and (attr rmsd > 1.701)) and bondedto(attr rmsd < 27.598 and attr rmsd > 26.598)) ( attr rmsd < 7.557 and attr rmsd > 7.457) 6 6 0 peak 24615 ppm1 1.751 ppm2 7.507 volume 0.0898 assi ((( attr rmsd < 2.008) and (attr rmsd > 1.908)) and bondedto(attr rmsd < 75.118 and attr rmsd > 74.118)) ( attr rmsd < 7.637 and attr rmsd > 7.537) 6 6 0 peak 14616 ppm1 1.958 ppm2 7.587 volume 0.0919 assi ((( attr rmsd < 2.008) and (attr rmsd > 1.908)) and bondedto(attr rmsd < 27.598 and attr rmsd > 26.598)) ( attr rmsd < 7.637 and attr rmsd > 7.537) 6 6 0 peak 24616 ppm1 1.958 ppm2 7.587 volume 0.0919 assi ((( attr rmsd < 2.019) and (attr rmsd > 1.919)) and bondedto(attr rmsd < 75.118 and attr rmsd > 74.118)) ( attr rmsd < 8.445 and attr rmsd > 8.345) 6 6 0 peak 14617 ppm1 1.969 ppm2 8.395 volume 0.0616 assi ((( attr rmsd < 2.019) and (attr rmsd > 1.919)) and bondedto(attr rmsd < 27.598 and attr rmsd > 26.598)) ( attr rmsd < 8.445 and attr rmsd > 8.345) 6 6 0 peak 24617 ppm1 1.969 ppm2 8.395 volume 0.0616 assi ((( attr rmsd < 1.529) and (attr rmsd > 1.429)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 8.874 and attr rmsd > 8.774) 6 6 0 peak 14618 ppm1 1.479 ppm2 8.824 volume 0.1072 assi ((( attr rmsd < 1.529) and (attr rmsd > 1.429)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 8.874 and attr rmsd > 8.774) 6 6 0 peak 24618 ppm1 1.479 ppm2 8.824 volume 0.1072 assi ((( attr rmsd < 1.538) and (attr rmsd > 1.438)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 8.661 and attr rmsd > 8.561) 6 6 0 peak 14619 ppm1 1.488 ppm2 8.611 volume 0.1007 assi ((( attr rmsd < 1.538) and (attr rmsd > 1.438)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 8.661 and attr rmsd > 8.561) 6 6 0 peak 24619 ppm1 1.488 ppm2 8.611 volume 0.1007 assi ((( attr rmsd < 4.025) and (attr rmsd > 3.925)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 7.742 and attr rmsd > 7.642) 6 6 0 peak 4620 ppm1 3.975 ppm2 7.692 volume 0.0869 assi ((( attr rmsd < 3.867) and (attr rmsd > 3.767)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 7.732 and attr rmsd > 7.632) 6 6 0 peak 4621 ppm1 3.817 ppm2 7.682 volume 0.0988 assi ((( attr rmsd < 4.024) and (attr rmsd > 3.924)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 8.981 and attr rmsd > 8.881) 6 6 0 peak 4622 ppm1 3.974 ppm2 8.931 volume 0.0654 assi ((( attr rmsd < 3.866) and (attr rmsd > 3.766)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 8.983 and attr rmsd > 8.883) 6 6 0 peak 4623 ppm1 3.816 ppm2 8.933 volume 0.0911 assi ((( attr rmsd < 1.903) and (attr rmsd > 1.803)) and bondedto(attr rmsd < 78.485 and attr rmsd > 77.485)) ( attr rmsd < 7.284 and attr rmsd > 7.184) 6 6 0 peak 14624 ppm1 1.853 ppm2 7.234 volume 0.1108 assi ((( attr rmsd < 1.903) and (attr rmsd > 1.803)) and bondedto(attr rmsd < 30.965 and attr rmsd > 29.965)) ( attr rmsd < 7.284 and attr rmsd > 7.184) 6 6 0 peak 24624 ppm1 1.853 ppm2 7.234 volume 0.1108 assi ((( attr rmsd < 1.752) and (attr rmsd > 1.652)) and bondedto(attr rmsd < 76.988 and attr rmsd > 75.988)) ( attr rmsd < 5.680 and attr rmsd > 5.580) 6 6 0 peak 14625 ppm1 1.702 ppm2 5.630 volume 0.0881 assi ((( attr rmsd < 1.752) and (attr rmsd > 1.652)) and bondedto(attr rmsd < 29.468 and attr rmsd > 28.468)) ( attr rmsd < 5.680 and attr rmsd > 5.580) 6 6 0 peak 24625 ppm1 1.702 ppm2 5.630 volume 0.0881 assi ((( attr rmsd < 1.519) and (attr rmsd > 1.419)) and bondedto(attr rmsd < 73.434 and attr rmsd > 72.434)) ( attr rmsd < 8.392 and attr rmsd > 8.292) 6 6 0 peak 14626 ppm1 1.469 ppm2 8.342 volume 0.1217 assi ((( attr rmsd < 1.519) and (attr rmsd > 1.419)) and bondedto(attr rmsd < 25.914 and attr rmsd > 24.914)) ( attr rmsd < 8.392 and attr rmsd > 8.292) 6 6 0 peak 24626 ppm1 1.469 ppm2 8.342 volume 0.1217 assi ((( attr rmsd < 0.821) and (attr rmsd > 0.721)) and bondedto(attr rmsd < 73.621 and attr rmsd > 72.621)) ( attr rmsd < 7.722 and attr rmsd > 7.622) 6 6 0 peak 14627 ppm1 0.771 ppm2 7.672 volume 0.0826 assi ((( attr rmsd < 0.821) and (attr rmsd > 0.721)) and bondedto(attr rmsd < 26.101 and attr rmsd > 25.101)) ( attr rmsd < 7.722 and attr rmsd > 7.622) 6 6 0 peak 24627 ppm1 0.771 ppm2 7.672 volume 0.0826 assi ((( attr rmsd < 1.707) and (attr rmsd > 1.607)) and bondedto(attr rmsd < 73.434 and attr rmsd > 72.434)) ( attr rmsd < 6.898 and attr rmsd > 6.798) 6 6 0 peak 14628 ppm1 1.657 ppm2 6.848 volume 0.0636 assi ((( attr rmsd < 1.707) and (attr rmsd > 1.607)) and bondedto(attr rmsd < 25.914 and attr rmsd > 24.914)) ( attr rmsd < 6.898 and attr rmsd > 6.798) 6 6 0 peak 24628 ppm1 1.657 ppm2 6.848 volume 0.0636 assi ((( attr rmsd < 1.730) and (attr rmsd > 1.630)) and bondedto(attr rmsd < 73.434 and attr rmsd > 72.434)) ( attr rmsd < 7.314 and attr rmsd > 7.214) 6 6 0 peak 14629 ppm1 1.680 ppm2 7.264 volume 0.0863 assi ((( attr rmsd < 1.730) and (attr rmsd > 1.630)) and bondedto(attr rmsd < 25.914 and attr rmsd > 24.914)) ( attr rmsd < 7.314 and attr rmsd > 7.214) 6 6 0 peak 24629 ppm1 1.680 ppm2 7.264 volume 0.0863 assi ((( attr rmsd < 1.682) and (attr rmsd > 1.582)) and bondedto(attr rmsd < 73.434 and attr rmsd > 72.434)) ( attr rmsd < 7.723 and attr rmsd > 7.623) 6 6 0 peak 14630 ppm1 1.632 ppm2 7.673 volume 0.0768 assi ((( attr rmsd < 1.682) and (attr rmsd > 1.582)) and bondedto(attr rmsd < 25.914 and attr rmsd > 24.914)) ( attr rmsd < 7.723 and attr rmsd > 7.623) 6 6 0 peak 24630 ppm1 1.632 ppm2 7.673 volume 0.0768 assi ((( attr rmsd < 1.080) and (attr rmsd > 0.980)) ( attr rmsd < 6.674 and attr rmsd > 6.574) 6 6 0 peak 4631 ppm1 1.030 ppm2 6.624 volume 0.0762 assi ((( attr rmsd < 1.080) and (attr rmsd > 0.980)) and bondedto(attr rmsd < 72.873 and attr rmsd > 71.873)) ( attr rmsd < 6.674 and attr rmsd > 6.574) 6 6 0 peak 14631 ppm1 1.030 ppm2 6.624 volume 0.0762 assi ((( attr rmsd < 1.080) and (attr rmsd > 0.980)) and bondedto(attr rmsd < 25.353 and attr rmsd > 24.353)) ( attr rmsd < 6.674 and attr rmsd > 6.574) 6 6 0 peak 24631 ppm1 1.030 ppm2 6.624 volume 0.0762 assi ((( attr rmsd < 1.071) and (attr rmsd > 0.971)) and bondedto(attr rmsd < 72.873 and attr rmsd > 71.873)) ( attr rmsd < 8.882 and attr rmsd > 8.782) 6 6 0 peak 14632 ppm1 1.021 ppm2 8.832 volume 0.0779 assi ((( attr rmsd < 1.071) and (attr rmsd > 0.971)) and bondedto(attr rmsd < 25.353 and attr rmsd > 24.353)) ( attr rmsd < 8.882 and attr rmsd > 8.782) 6 6 0 peak 24632 ppm1 1.021 ppm2 8.832 volume 0.0779 assi ((( attr rmsd < 1.720) and (attr rmsd > 1.620)) and bondedto(attr rmsd < 72.873 and attr rmsd > 71.873)) ( attr rmsd < 7.715 and attr rmsd > 7.615) 6 6 0 peak 14633 ppm1 1.670 ppm2 7.665 volume 0.1220 assi ((( attr rmsd < 1.720) and (attr rmsd > 1.620)) and bondedto(attr rmsd < 25.353 and attr rmsd > 24.353)) ( attr rmsd < 7.715 and attr rmsd > 7.615) 6 6 0 peak 24633 ppm1 1.670 ppm2 7.665 volume 0.1220 assi ((( attr rmsd < 1.353) and (attr rmsd > 1.253)) and bondedto(attr rmsd < 72.873 and attr rmsd > 71.873)) ( attr rmsd < 7.713 and attr rmsd > 7.613) 6 6 0 peak 14634 ppm1 1.303 ppm2 7.663 volume 0.0651 assi ((( attr rmsd < 1.353) and (attr rmsd > 1.253)) and bondedto(attr rmsd < 25.353 and attr rmsd > 24.353)) ( attr rmsd < 7.713 and attr rmsd > 7.613) 6 6 0 peak 24634 ppm1 1.303 ppm2 7.663 volume 0.0651 assi ((( attr rmsd < 0.900) and (attr rmsd > 0.800)) and bondedto(attr rmsd < 72.124 and attr rmsd > 71.124)) ( attr rmsd < 8.496 and attr rmsd > 8.396) 6 6 0 peak 14635 ppm1 0.850 ppm2 8.446 volume 0.0636 assi ((( attr rmsd < 0.900) and (attr rmsd > 0.800)) and bondedto(attr rmsd < 24.604 and attr rmsd > 23.604)) ( attr rmsd < 8.496 and attr rmsd > 8.396) 6 6 0 peak 24635 ppm1 0.850 ppm2 8.446 volume 0.0636 assi ((( attr rmsd < 4.163) and (attr rmsd > 4.063)) and bondedto(attr rmsd < 71.750 and attr rmsd > 70.750)) ( attr rmsd < 8.519 and attr rmsd > 8.419) 6 6 0 peak 14636 ppm1 4.113 ppm2 8.469 volume 0.1130 assi ((( attr rmsd < 4.163) and (attr rmsd > 4.063)) and bondedto(attr rmsd < 24.230 and attr rmsd > 23.230)) ( attr rmsd < 8.519 and attr rmsd > 8.419) 6 6 0 peak 24636 ppm1 4.113 ppm2 8.469 volume 0.1130 assi ((( attr rmsd < 1.428) and (attr rmsd > 1.328)) and bondedto(attr rmsd < 71.750 and attr rmsd > 70.750)) ( attr rmsd < 8.465 and attr rmsd > 8.365) 6 6 0 peak 14637 ppm1 1.378 ppm2 8.415 volume 0.0801 assi ((( attr rmsd < 1.428) and (attr rmsd > 1.328)) and bondedto(attr rmsd < 24.230 and attr rmsd > 23.230)) ( attr rmsd < 8.465 and attr rmsd > 8.365) 6 6 0 peak 24637 ppm1 1.378 ppm2 8.415 volume 0.0801 assi ((( attr rmsd < 1.578) and (attr rmsd > 1.478)) and bondedto(attr rmsd < 71.750 and attr rmsd > 70.750)) ( attr rmsd < 8.461 and attr rmsd > 8.361) 6 6 0 peak 14638 ppm1 1.528 ppm2 8.411 volume 0.0653 assi ((( attr rmsd < 1.578) and (attr rmsd > 1.478)) and bondedto(attr rmsd < 24.230 and attr rmsd > 23.230)) ( attr rmsd < 8.461 and attr rmsd > 8.361) 6 6 0 peak 24638 ppm1 1.528 ppm2 8.411 volume 0.0653 assi ((( attr rmsd < 1.579) and (attr rmsd > 1.479)) and bondedto(attr rmsd < 71.750 and attr rmsd > 70.750)) ( attr rmsd < 9.442 and attr rmsd > 9.342) 6 6 0 peak 14639 ppm1 1.529 ppm2 9.392 volume 0.1356 assi ((( attr rmsd < 1.579) and (attr rmsd > 1.479)) and bondedto(attr rmsd < 24.230 and attr rmsd > 23.230)) ( attr rmsd < 9.442 and attr rmsd > 9.342) 6 6 0 peak 24639 ppm1 1.529 ppm2 9.392 volume 0.1356 assi ((( attr rmsd < 1.434) and (attr rmsd > 1.334)) and bondedto(attr rmsd < 71.750 and attr rmsd > 70.750)) ( attr rmsd < 9.439 and attr rmsd > 9.339) 6 6 0 peak 14640 ppm1 1.384 ppm2 9.389 volume 0.0988 assi ((( attr rmsd < 1.434) and (attr rmsd > 1.334)) and bondedto(attr rmsd < 24.230 and attr rmsd > 23.230)) ( attr rmsd < 9.439 and attr rmsd > 9.339) 6 6 0 peak 24640 ppm1 1.384 ppm2 9.389 volume 0.0988 assi ((( attr rmsd < 4.157) and (attr rmsd > 4.057)) ( attr rmsd < 6.987 and attr rmsd > 6.887) 6 6 0 peak 4641 ppm1 4.107 ppm2 6.937 volume 0.0663 assi ((( attr rmsd < 4.157) and (attr rmsd > 4.057)) and bondedto(attr rmsd < 71.750 and attr rmsd > 70.750)) ( attr rmsd < 6.987 and attr rmsd > 6.887) 6 6 0 peak 14641 ppm1 4.107 ppm2 6.937 volume 0.0663 assi ((( attr rmsd < 4.157) and (attr rmsd > 4.057)) and bondedto(attr rmsd < 24.230 and attr rmsd > 23.230)) ( attr rmsd < 6.987 and attr rmsd > 6.887) 6 6 0 peak 24641 ppm1 4.107 ppm2 6.937 volume 0.0663 assi ((( attr rmsd < 0.827) and (attr rmsd > 0.727)) ( attr rmsd < 6.992 and attr rmsd > 6.892) 6 6 0 peak 4642 ppm1 0.777 ppm2 6.942 volume 0.0963 assi ((( attr rmsd < 0.827) and (attr rmsd > 0.727)) and bondedto(attr rmsd < 71.563 and attr rmsd > 70.563)) ( attr rmsd < 6.992 and attr rmsd > 6.892) 6 6 0 peak 14642 ppm1 0.777 ppm2 6.942 volume 0.0963 assi ((( attr rmsd < 0.827) and (attr rmsd > 0.727)) and bondedto(attr rmsd < 24.043 and attr rmsd > 23.043)) ( attr rmsd < 6.992 and attr rmsd > 6.892) 6 6 0 peak 24642 ppm1 0.777 ppm2 6.942 volume 0.0963 assi ((( attr rmsd < 0.793) and (attr rmsd > 0.693)) ( attr rmsd < 7.004 and attr rmsd > 6.904) 6 6 0 peak 4643 ppm1 0.743 ppm2 6.954 volume 0.0803 assi ((( attr rmsd < 0.793) and (attr rmsd > 0.693)) and bondedto(attr rmsd < 71.002 and attr rmsd > 70.002)) ( attr rmsd < 7.004 and attr rmsd > 6.904) 6 6 0 peak 14643 ppm1 0.743 ppm2 6.954 volume 0.0803 assi ((( attr rmsd < 0.793) and (attr rmsd > 0.693)) and bondedto(attr rmsd < 23.482 and attr rmsd > 22.482)) ( attr rmsd < 7.004 and attr rmsd > 6.904) 6 6 0 peak 24643 ppm1 0.743 ppm2 6.954 volume 0.0803 assi ((( attr rmsd < 1.249) and (attr rmsd > 1.149)) and bondedto(attr rmsd < 71.002 and attr rmsd > 70.002)) ( attr rmsd < 6.902 and attr rmsd > 6.802) 6 6 0 peak 14644 ppm1 1.199 ppm2 6.852 volume 0.0949 assi ((( attr rmsd < 1.249) and (attr rmsd > 1.149)) and bondedto(attr rmsd < 23.482 and attr rmsd > 22.482)) ( attr rmsd < 6.902 and attr rmsd > 6.802) 6 6 0 peak 24644 ppm1 1.199 ppm2 6.852 volume 0.0949 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 71.002 and attr rmsd > 70.002)) ( attr rmsd < 7.557 and attr rmsd > 7.457) 6 6 0 peak 14645 ppm1 0.741 ppm2 7.507 volume 0.1319 assi ((( attr rmsd < 0.791) and (attr rmsd > 0.691)) and bondedto(attr rmsd < 23.482 and attr rmsd > 22.482)) ( attr rmsd < 7.557 and attr rmsd > 7.457) 6 6 0 peak 24645 ppm1 0.741 ppm2 7.507 volume 0.1319 assi ((( attr rmsd < 0.552) and (attr rmsd > 0.452)) and bondedto(attr rmsd < 70.253 and attr rmsd > 69.253)) ( attr rmsd < 9.296 and attr rmsd > 9.196) 6 6 0 peak 14646 ppm1 0.502 ppm2 9.246 volume 0.1402 assi ((( attr rmsd < 0.552) and (attr rmsd > 0.452)) and bondedto(attr rmsd < 22.733 and attr rmsd > 21.733)) ( attr rmsd < 9.296 and attr rmsd > 9.196) 6 6 0 peak 24646 ppm1 0.502 ppm2 9.246 volume 0.1402 assi ((( attr rmsd < 0.553) and (attr rmsd > 0.453)) and bondedto(attr rmsd < 70.253 and attr rmsd > 69.253)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 14647 ppm1 0.503 ppm2 8.413 volume 0.1146 assi ((( attr rmsd < 0.553) and (attr rmsd > 0.453)) and bondedto(attr rmsd < 22.733 and attr rmsd > 21.733)) ( attr rmsd < 8.463 and attr rmsd > 8.363) 6 6 0 peak 24647 ppm1 0.503 ppm2 8.413 volume 0.1146 assi ((( attr rmsd < 0.558) and (attr rmsd > 0.458)) and bondedto(attr rmsd < 70.253 and attr rmsd > 69.253)) ( attr rmsd < 8.334 and attr rmsd > 8.234) 6 6 0 peak 14648 ppm1 0.508 ppm2 8.284 volume 0.1041 assi ((( attr rmsd < 0.558) and (attr rmsd > 0.458)) and bondedto(attr rmsd < 22.733 and attr rmsd > 21.733)) ( attr rmsd < 8.334 and attr rmsd > 8.234) 6 6 0 peak 24648 ppm1 0.508 ppm2 8.284 volume 0.1041 assi ((( attr rmsd < 1.275) and (attr rmsd > 1.175)) and bondedto(attr rmsd < 70.066 and attr rmsd > 69.066)) ( attr rmsd < 7.734 and attr rmsd > 7.634) 6 6 0 peak 14649 ppm1 1.225 ppm2 7.684 volume 0.1429 assi ((( attr rmsd < 1.275) and (attr rmsd > 1.175)) and bondedto(attr rmsd < 22.546 and attr rmsd > 21.546)) ( attr rmsd < 7.734 and attr rmsd > 7.634) 6 6 0 peak 24649 ppm1 1.225 ppm2 7.684 volume 0.1429 assi ((( attr rmsd < 0.630) and (attr rmsd > 0.530)) ( attr rmsd < 6.994 and attr rmsd > 6.894) 6 6 0 peak 4650 ppm1 0.580 ppm2 6.944 volume 0.0843 assi ((( attr rmsd < 0.630) and (attr rmsd > 0.530)) and bondedto(attr rmsd < 69.879 and attr rmsd > 68.879)) ( attr rmsd < 6.994 and attr rmsd > 6.894) 6 6 0 peak 14650 ppm1 0.580 ppm2 6.944 volume 0.0843 assi ((( attr rmsd < 0.630) and (attr rmsd > 0.530)) and bondedto(attr rmsd < 22.359 and attr rmsd > 21.359)) ( attr rmsd < 6.994 and attr rmsd > 6.894) 6 6 0 peak 24650 ppm1 0.580 ppm2 6.944 volume 0.0843 assi ((( attr rmsd < 0.906) and (attr rmsd > 0.806)) ( attr rmsd < 6.979 and attr rmsd > 6.879) 6 6 0 peak 4651 ppm1 0.856 ppm2 6.929 volume 0.1293 assi ((( attr rmsd < 0.906) and (attr rmsd > 0.806)) and bondedto(attr rmsd < 70.440 and attr rmsd > 69.440)) ( attr rmsd < 6.979 and attr rmsd > 6.879) 6 6 0 peak 14651 ppm1 0.856 ppm2 6.929 volume 0.1293 assi ((( attr rmsd < 0.906) and (attr rmsd > 0.806)) and bondedto(attr rmsd < 22.920 and attr rmsd > 21.920)) ( attr rmsd < 6.979 and attr rmsd > 6.879) 6 6 0 peak 24651 ppm1 0.856 ppm2 6.929 volume 0.1293 assi ((( attr rmsd < 0.826) and (attr rmsd > 0.726)) and bondedto(attr rmsd < 70.440 and attr rmsd > 69.440)) ( attr rmsd < 7.621 and attr rmsd > 7.521) 6 6 0 peak 14652 ppm1 0.776 ppm2 7.571 volume 0.0824 assi ((( attr rmsd < 0.826) and (attr rmsd > 0.726)) and bondedto(attr rmsd < 22.920 and attr rmsd > 21.920)) ( attr rmsd < 7.621 and attr rmsd > 7.521) 6 6 0 peak 24652 ppm1 0.776 ppm2 7.571 volume 0.0824 assi ((( attr rmsd < 4.025) and (attr rmsd > 3.925)) and bondedto(attr rmsd < 46.868 and attr rmsd > 45.868)) ( attr rmsd < 7.321 and attr rmsd > 7.221) 6 6 0 peak 4653 ppm1 3.975 ppm2 7.271 volume 0.0626 assi ((( attr rmsd < 3.946) and (attr rmsd > 3.846)) and bondedto(attr rmsd < 46.868 and attr rmsd > 45.868)) ( attr rmsd < 7.321 and attr rmsd > 7.221) 6 6 0 peak 4654 ppm1 3.896 ppm2 7.271 volume 0.0756 assi ((( attr rmsd < 4.893) and (attr rmsd > 4.793)) and bondedto(attr rmsd < 46.868 and attr rmsd > 45.868)) ( attr rmsd < 7.714 and attr rmsd > 7.614) 6 6 0 peak 4655 ppm1 4.843 ppm2 7.664 volume 0.1010 assi ((( attr rmsd < 4.763) and (attr rmsd > 4.663)) and bondedto(attr rmsd < 46.868 and attr rmsd > 45.868)) ( attr rmsd < 7.713 and attr rmsd > 7.613) 6 6 0 peak 4656 ppm1 4.713 ppm2 7.663 volume 0.0732 assi ((( attr rmsd < 0.920) and (attr rmsd > 0.820)) ( attr rmsd < 6.693 and attr rmsd > 6.593) 6 6 0 peak 4657 ppm1 0.870 ppm2 6.643 volume 0.0940 assi ((( attr rmsd < 0.920) and (attr rmsd > 0.820)) and bondedto(attr rmsd < 70.440 and attr rmsd > 69.440)) ( attr rmsd < 6.693 and attr rmsd > 6.593) 6 6 0 peak 14657 ppm1 0.870 ppm2 6.643 volume 0.0940 assi ((( attr rmsd < 0.920) and (attr rmsd > 0.820)) and bondedto(attr rmsd < 22.920 and attr rmsd > 21.920)) ( attr rmsd < 6.693 and attr rmsd > 6.593) 6 6 0 peak 24657 ppm1 0.870 ppm2 6.643 volume 0.0940 assi ((( attr rmsd < 0.787) and (attr rmsd > 0.687)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 4658 ppm1 0.737 ppm2 6.642 volume 0.0734 assi ((( attr rmsd < 0.787) and (attr rmsd > 0.687)) and bondedto(attr rmsd < 70.440 and attr rmsd > 69.440)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 14658 ppm1 0.737 ppm2 6.642 volume 0.0734 assi ((( attr rmsd < 0.787) and (attr rmsd > 0.687)) and bondedto(attr rmsd < 22.920 and attr rmsd > 21.920)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 24658 ppm1 0.737 ppm2 6.642 volume 0.0734 assi ((( attr rmsd < 0.883) and (attr rmsd > 0.783)) ( attr rmsd < 6.696 and attr rmsd > 6.596) 6 6 0 peak 4659 ppm1 0.833 ppm2 6.646 volume 0.0854 assi ((( attr rmsd < 0.883) and (attr rmsd > 0.783)) and bondedto(attr rmsd < 69.505 and attr rmsd > 68.505)) ( attr rmsd < 6.696 and attr rmsd > 6.596) 6 6 0 peak 14659 ppm1 0.833 ppm2 6.646 volume 0.0854 assi ((( attr rmsd < 0.883) and (attr rmsd > 0.783)) and bondedto(attr rmsd < 21.985 and attr rmsd > 20.985)) ( attr rmsd < 6.696 and attr rmsd > 6.596) 6 6 0 peak 24659 ppm1 0.833 ppm2 6.646 volume 0.0854 assi ((( attr rmsd < 0.707) and (attr rmsd > 0.607)) and bondedto(attr rmsd < 69.692 and attr rmsd > 68.692)) ( attr rmsd < 9.321 and attr rmsd > 9.221) 6 6 0 peak 14660 ppm1 0.657 ppm2 9.271 volume 0.1150 assi ((( attr rmsd < 0.707) and (attr rmsd > 0.607)) and bondedto(attr rmsd < 22.172 and attr rmsd > 21.172)) ( attr rmsd < 9.321 and attr rmsd > 9.221) 6 6 0 peak 24660 ppm1 0.657 ppm2 9.271 volume 0.1150 assi ((( attr rmsd < 3.606) and (attr rmsd > 3.506)) and bondedto(attr rmsd < 45.371 and attr rmsd > 44.371)) ( attr rmsd < 8.334 and attr rmsd > 8.234) 6 6 0 peak 4661 ppm1 3.556 ppm2 8.284 volume 0.1371 assi ((( attr rmsd < 4.904) and (attr rmsd > 4.804)) and bondedto(attr rmsd < 45.371 and attr rmsd > 44.371)) ( attr rmsd < 9.299 and attr rmsd > 9.199) 6 6 0 peak 4662 ppm1 4.854 ppm2 9.249 volume 0.1173 assi ((( attr rmsd < 4.883) and (attr rmsd > 4.783)) and bondedto(attr rmsd < 45.371 and attr rmsd > 44.371)) ( attr rmsd < 8.946 and attr rmsd > 8.846) 6 6 0 peak 4663 ppm1 4.833 ppm2 8.896 volume 0.0833 assi ((( attr rmsd < 4.694) and (attr rmsd > 4.594)) and bondedto(attr rmsd < 45.558 and attr rmsd > 44.558)) ( attr rmsd < 8.269 and attr rmsd > 8.169) 6 6 0 peak 4664 ppm1 4.644 ppm2 8.219 volume 0.0980 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 68.757 and attr rmsd > 67.757)) ( attr rmsd < 7.732 and attr rmsd > 7.632) 6 6 0 peak 14665 ppm1 4.848 ppm2 7.682 volume 0.0987 assi ((( attr rmsd < 4.898) and (attr rmsd > 4.798)) and bondedto(attr rmsd < 21.237 and attr rmsd > 20.237)) ( attr rmsd < 7.732 and attr rmsd > 7.632) 6 6 0 peak 24665 ppm1 4.848 ppm2 7.682 volume 0.0987 assi ((( attr rmsd < 4.618) and (attr rmsd > 4.518)) and bondedto(attr rmsd < 68.757 and attr rmsd > 67.757)) ( attr rmsd < 8.126 and attr rmsd > 8.026) 6 6 0 peak 14666 ppm1 4.568 ppm2 8.076 volume 0.0759 assi ((( attr rmsd < 4.618) and (attr rmsd > 4.518)) and bondedto(attr rmsd < 21.237 and attr rmsd > 20.237)) ( attr rmsd < 8.126 and attr rmsd > 8.026) 6 6 0 peak 24666 ppm1 4.568 ppm2 8.076 volume 0.0759 assi ((( attr rmsd < 1.342) and (attr rmsd > 1.242)) and bondedto(attr rmsd < 68.383 and attr rmsd > 67.383)) ( attr rmsd < 8.332 and attr rmsd > 8.232) 6 6 0 peak 14667 ppm1 1.292 ppm2 8.282 volume 0.1053 assi ((( attr rmsd < 1.342) and (attr rmsd > 1.242)) and bondedto(attr rmsd < 20.863 and attr rmsd > 19.863)) ( attr rmsd < 8.332 and attr rmsd > 8.232) 6 6 0 peak 24667 ppm1 1.292 ppm2 8.282 volume 0.1053 assi ((( attr rmsd < 1.347) and (attr rmsd > 1.247)) and bondedto(attr rmsd < 68.383 and attr rmsd > 67.383)) ( attr rmsd < 7.318 and attr rmsd > 7.218) 6 6 0 peak 14668 ppm1 1.297 ppm2 7.268 volume 0.1157 assi ((( attr rmsd < 1.347) and (attr rmsd > 1.247)) and bondedto(attr rmsd < 20.863 and attr rmsd > 19.863)) ( attr rmsd < 7.318 and attr rmsd > 7.218) 6 6 0 peak 24668 ppm1 1.297 ppm2 7.268 volume 0.1157 assi ((( attr rmsd < 1.352) and (attr rmsd > 1.252)) and bondedto(attr rmsd < 68.383 and attr rmsd > 67.383)) ( attr rmsd < 6.895 and attr rmsd > 6.795) 6 6 0 peak 14669 ppm1 1.302 ppm2 6.845 volume 0.0891 assi ((( attr rmsd < 1.352) and (attr rmsd > 1.252)) and bondedto(attr rmsd < 20.863 and attr rmsd > 19.863)) ( attr rmsd < 6.895 and attr rmsd > 6.795) 6 6 0 peak 24669 ppm1 1.302 ppm2 6.845 volume 0.0891 assi ((( attr rmsd < 0.415) and (attr rmsd > 0.315)) and bondedto(attr rmsd < 68.195 and attr rmsd > 67.195)) ( attr rmsd < 6.599 and attr rmsd > 6.499) 6 6 0 peak 14670 ppm1 0.365 ppm2 6.549 volume 0.1196 assi ((( attr rmsd < 0.415) and (attr rmsd > 0.315)) and bondedto(attr rmsd < 20.675 and attr rmsd > 19.675)) ( attr rmsd < 6.599 and attr rmsd > 6.499) 6 6 0 peak 24670 ppm1 0.365 ppm2 6.549 volume 0.1196 assi ((( attr rmsd < 0.413) and (attr rmsd > 0.313)) and bondedto(attr rmsd < 68.195 and attr rmsd > 67.195)) ( attr rmsd < 8.981 and attr rmsd > 8.881) 6 6 0 peak 14671 ppm1 0.363 ppm2 8.931 volume 0.1876 assi ((( attr rmsd < 0.413) and (attr rmsd > 0.313)) and bondedto(attr rmsd < 20.675 and attr rmsd > 19.675)) ( attr rmsd < 8.981 and attr rmsd > 8.881) 6 6 0 peak 24671 ppm1 0.363 ppm2 8.931 volume 0.1876 assi ((( attr rmsd < 2.938) and (attr rmsd > 2.838)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 8.660 and attr rmsd > 8.560) 6 6 0 peak 4672 ppm1 2.888 ppm2 8.610 volume 0.1435 assi ((( attr rmsd < 2.787) and (attr rmsd > 2.687)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 8.661 and attr rmsd > 8.561) 6 6 0 peak 4673 ppm1 2.737 ppm2 8.611 volume 0.1148 assi ((( attr rmsd < 2.940) and (attr rmsd > 2.840)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 8.979 and attr rmsd > 8.879) 6 6 0 peak 4674 ppm1 2.890 ppm2 8.929 volume 0.0884 assi ((( attr rmsd < 2.770) and (attr rmsd > 2.670)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 8.977 and attr rmsd > 8.877) 6 6 0 peak 4675 ppm1 2.720 ppm2 8.927 volume 0.0770 assi ((( attr rmsd < 1.590) and (attr rmsd > 1.490)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 7.948 and attr rmsd > 7.848) 6 6 0 peak 4676 ppm1 1.540 ppm2 7.898 volume 0.0884 assi ((( attr rmsd < 1.351) and (attr rmsd > 1.251)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 8.099 and attr rmsd > 7.999) 6 6 0 peak 4677 ppm1 1.301 ppm2 8.049 volume 0.0960 assi ((( attr rmsd < 1.304) and (attr rmsd > 1.204)) and bondedto(attr rmsd < 67.634 and attr rmsd > 66.634)) ( attr rmsd < 7.755 and attr rmsd > 7.655) 6 6 0 peak 14678 ppm1 1.254 ppm2 7.705 volume 0.0803 assi ((( attr rmsd < 1.304) and (attr rmsd > 1.204)) and bondedto(attr rmsd < 20.114 and attr rmsd > 19.114)) ( attr rmsd < 7.755 and attr rmsd > 7.655) 6 6 0 peak 24678 ppm1 1.254 ppm2 7.705 volume 0.0803 assi ((( attr rmsd < 2.780) and (attr rmsd > 2.680)) and bondedto(attr rmsd < 43.126 and attr rmsd > 42.126)) ( attr rmsd < 8.074 and attr rmsd > 7.974) 6 6 0 peak 4679 ppm1 2.730 ppm2 8.024 volume 0.1254 assi ((( attr rmsd < 2.779) and (attr rmsd > 2.679)) and bondedto(attr rmsd < 43.126 and attr rmsd > 42.126)) ( attr rmsd < 9.187 and attr rmsd > 9.087) 6 6 0 peak 4680 ppm1 2.729 ppm2 9.137 volume 0.1301 assi ((( attr rmsd < 2.640) and (attr rmsd > 2.540)) and bondedto(attr rmsd < 43.126 and attr rmsd > 42.126)) ( attr rmsd < 9.202 and attr rmsd > 9.102) 6 6 0 peak 4681 ppm1 2.590 ppm2 9.152 volume 0.0974 assi ((( attr rmsd < 2.780) and (attr rmsd > 2.680)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 4682 ppm1 2.730 ppm2 6.642 volume 0.0821 assi ((( attr rmsd < 2.780) and (attr rmsd > 2.680)) and bondedto(attr rmsd < 42.939 and attr rmsd > 41.939)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 4682 ppm1 2.730 ppm2 6.642 volume 0.0821 assi ((( attr rmsd < 2.627) and (attr rmsd > 2.527)) ( attr rmsd < 6.697 and attr rmsd > 6.597) 6 6 0 peak 4683 ppm1 2.577 ppm2 6.647 volume 0.0796 assi ((( attr rmsd < 2.627) and (attr rmsd > 2.527)) and bondedto(attr rmsd < 42.939 and attr rmsd > 41.939)) ( attr rmsd < 6.697 and attr rmsd > 6.597) 6 6 0 peak 4683 ppm1 2.577 ppm2 6.647 volume 0.0796 assi ((( attr rmsd < 3.181) and (attr rmsd > 3.081)) ( attr rmsd < 7.218 and attr rmsd > 7.118) 6 6 0 peak 4684 ppm1 3.131 ppm2 7.168 volume 0.0796 assi ((( attr rmsd < 3.181) and (attr rmsd > 3.081)) and bondedto(attr rmsd < 43.874 and attr rmsd > 42.874)) ( attr rmsd < 7.218 and attr rmsd > 7.118) 6 6 0 peak 4684 ppm1 3.131 ppm2 7.168 volume 0.0796 assi ((( attr rmsd < 1.021) and (attr rmsd > 0.921)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 7.932 and attr rmsd > 7.832) 6 6 0 peak 14685 ppm1 0.971 ppm2 7.882 volume 0.0702 assi ((( attr rmsd < 1.021) and (attr rmsd > 0.921)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 7.932 and attr rmsd > 7.832) 6 6 0 peak 24685 ppm1 0.971 ppm2 7.882 volume 0.0702 assi ((( attr rmsd < 1.014) and (attr rmsd > 0.914)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 8.316 and attr rmsd > 8.216) 6 6 0 peak 14686 ppm1 0.964 ppm2 8.266 volume 0.0752 assi ((( attr rmsd < 1.014) and (attr rmsd > 0.914)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 8.316 and attr rmsd > 8.216) 6 6 0 peak 24686 ppm1 0.964 ppm2 8.266 volume 0.0752 assi ((( attr rmsd < 0.911) and (attr rmsd > 0.811)) ( attr rmsd < 6.704 and attr rmsd > 6.604) 6 6 0 peak 4687 ppm1 0.861 ppm2 6.654 volume 0.1236 assi ((( attr rmsd < 0.911) and (attr rmsd > 0.811)) and bondedto(attr rmsd < 66.325 and attr rmsd > 65.325)) ( attr rmsd < 6.704 and attr rmsd > 6.604) 6 6 0 peak 14687 ppm1 0.861 ppm2 6.654 volume 0.1236 assi ((( attr rmsd < 0.911) and (attr rmsd > 0.811)) and bondedto(attr rmsd < 18.805 and attr rmsd > 17.805)) ( attr rmsd < 6.704 and attr rmsd > 6.604) 6 6 0 peak 24687 ppm1 0.861 ppm2 6.654 volume 0.1236 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 66.325 and attr rmsd > 65.325)) ( attr rmsd < 5.847 and attr rmsd > 5.747) 6 6 0 peak 14688 ppm1 0.853 ppm2 5.797 volume 0.1422 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 18.805 and attr rmsd > 17.805)) ( attr rmsd < 5.847 and attr rmsd > 5.747) 6 6 0 peak 24688 ppm1 0.853 ppm2 5.797 volume 0.1422 assi ((( attr rmsd < 1.464) and (attr rmsd > 1.364)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 8.089 and attr rmsd > 7.989) 6 6 0 peak 14689 ppm1 1.414 ppm2 8.039 volume 0.1000 assi ((( attr rmsd < 1.464) and (attr rmsd > 1.364)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 8.089 and attr rmsd > 7.989) 6 6 0 peak 24689 ppm1 1.414 ppm2 8.039 volume 0.1000 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 7.717 and attr rmsd > 7.617) 6 6 0 peak 14690 ppm1 1.527 ppm2 7.667 volume 0.1225 assi ((( attr rmsd < 1.577) and (attr rmsd > 1.477)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 7.717 and attr rmsd > 7.617) 6 6 0 peak 24690 ppm1 1.527 ppm2 7.667 volume 0.1225 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 66.325 and attr rmsd > 65.325)) ( attr rmsd < 5.005 and attr rmsd > 4.905) 6 6 0 peak 14691 ppm1 0.754 ppm2 4.955 volume 0.1089 assi ((( attr rmsd < 0.804) and (attr rmsd > 0.704)) and bondedto(attr rmsd < 18.805 and attr rmsd > 17.805)) ( attr rmsd < 5.005 and attr rmsd > 4.905) 6 6 0 peak 24691 ppm1 0.754 ppm2 4.955 volume 0.1089 assi ((( attr rmsd < 4.211) and (attr rmsd > 4.111)) and bondedto(attr rmsd < 66.137 and attr rmsd > 65.137)) ( attr rmsd < 8.979 and attr rmsd > 8.879) 6 6 0 peak 14692 ppm1 4.161 ppm2 8.929 volume 0.0859 assi ((( attr rmsd < 4.211) and (attr rmsd > 4.111)) and bondedto(attr rmsd < 18.617 and attr rmsd > 17.617)) ( attr rmsd < 8.979 and attr rmsd > 8.879) 6 6 0 peak 24692 ppm1 4.161 ppm2 8.929 volume 0.0859 assi ((( attr rmsd < 4.219) and (attr rmsd > 4.119)) and bondedto(attr rmsd < 66.137 and attr rmsd > 65.137)) ( attr rmsd < 7.935 and attr rmsd > 7.835) 6 6 0 peak 14693 ppm1 4.169 ppm2 7.885 volume 0.0782 assi ((( attr rmsd < 4.219) and (attr rmsd > 4.119)) and bondedto(attr rmsd < 18.617 and attr rmsd > 17.617)) ( attr rmsd < 7.935 and attr rmsd > 7.835) 6 6 0 peak 24693 ppm1 4.169 ppm2 7.885 volume 0.0782 assi ((( attr rmsd < 4.152) and (attr rmsd > 4.052)) and bondedto(attr rmsd < 66.137 and attr rmsd > 65.137)) ( attr rmsd < 7.721 and attr rmsd > 7.621) 6 6 0 peak 14694 ppm1 4.102 ppm2 7.671 volume 0.0765 assi ((( attr rmsd < 4.152) and (attr rmsd > 4.052)) and bondedto(attr rmsd < 18.617 and attr rmsd > 17.617)) ( attr rmsd < 7.721 and attr rmsd > 7.621) 6 6 0 peak 24694 ppm1 4.102 ppm2 7.671 volume 0.0765 assi ((( attr rmsd < 4.222) and (attr rmsd > 4.122)) and bondedto(attr rmsd < 66.137 and attr rmsd > 65.137)) ( attr rmsd < 6.903 and attr rmsd > 6.803) 6 6 0 peak 14695 ppm1 4.172 ppm2 6.853 volume 0.0843 assi ((( attr rmsd < 4.222) and (attr rmsd > 4.122)) and bondedto(attr rmsd < 18.617 and attr rmsd > 17.617)) ( attr rmsd < 6.903 and attr rmsd > 6.803) 6 6 0 peak 24695 ppm1 4.172 ppm2 6.853 volume 0.0843 assi ((( attr rmsd < 4.144) and (attr rmsd > 4.044)) and bondedto(attr rmsd < 66.137 and attr rmsd > 65.137)) ( attr rmsd < 5.088 and attr rmsd > 4.988) 6 6 0 peak 14696 ppm1 4.094 ppm2 5.038 volume 0.0671 assi ((( attr rmsd < 4.144) and (attr rmsd > 4.044)) and bondedto(attr rmsd < 18.617 and attr rmsd > 17.617)) ( attr rmsd < 5.088 and attr rmsd > 4.988) 6 6 0 peak 24696 ppm1 4.094 ppm2 5.038 volume 0.0671 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 7.715 and attr rmsd > 7.615) 6 6 0 peak 14697 ppm1 4.838 ppm2 7.665 volume 0.0840 assi ((( attr rmsd < 4.888) and (attr rmsd > 4.788)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 7.715 and attr rmsd > 7.615) 6 6 0 peak 24697 ppm1 4.838 ppm2 7.665 volume 0.0840 assi ((( attr rmsd < 4.977) and (attr rmsd > 4.877)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 7.713 and attr rmsd > 7.613) 6 6 0 peak 14698 ppm1 4.927 ppm2 7.663 volume 0.0780 assi ((( attr rmsd < 4.977) and (attr rmsd > 4.877)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 7.713 and attr rmsd > 7.613) 6 6 0 peak 24698 ppm1 4.927 ppm2 7.663 volume 0.0780 assi ((( attr rmsd < 4.756) and (attr rmsd > 4.656)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 7.717 and attr rmsd > 7.617) 6 6 0 peak 14699 ppm1 4.706 ppm2 7.667 volume 0.0622 assi ((( attr rmsd < 4.756) and (attr rmsd > 4.656)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 7.717 and attr rmsd > 7.617) 6 6 0 peak 24699 ppm1 4.706 ppm2 7.667 volume 0.0622 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 66.512 and attr rmsd > 65.512)) ( attr rmsd < 8.138 and attr rmsd > 8.038) 6 6 0 peak 14700 ppm1 4.715 ppm2 8.088 volume 0.1420 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 18.992 and attr rmsd > 17.992)) ( attr rmsd < 8.138 and attr rmsd > 8.038) 6 6 0 peak 24700 ppm1 4.715 ppm2 8.088 volume 0.1420 assi ((( attr rmsd < 4.909) and (attr rmsd > 4.809)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 8.312 and attr rmsd > 8.212) 6 6 0 peak 14701 ppm1 4.859 ppm2 8.262 volume 0.1263 assi ((( attr rmsd < 4.909) and (attr rmsd > 4.809)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 8.312 and attr rmsd > 8.212) 6 6 0 peak 24701 ppm1 4.859 ppm2 8.262 volume 0.1263 assi ((( attr rmsd < 4.987) and (attr rmsd > 4.887)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 8.126 and attr rmsd > 8.026) 6 6 0 peak 14702 ppm1 4.937 ppm2 8.076 volume 0.1141 assi ((( attr rmsd < 4.987) and (attr rmsd > 4.887)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 8.126 and attr rmsd > 8.026) 6 6 0 peak 24702 ppm1 4.937 ppm2 8.076 volume 0.1141 assi ((( attr rmsd < 4.222) and (attr rmsd > 4.122)) and bondedto(attr rmsd < 66.137 and attr rmsd > 65.137)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 14703 ppm1 4.172 ppm2 8.207 volume 0.0666 assi ((( attr rmsd < 4.222) and (attr rmsd > 4.122)) and bondedto(attr rmsd < 18.617 and attr rmsd > 17.617)) ( attr rmsd < 8.257 and attr rmsd > 8.157) 6 6 0 peak 24703 ppm1 4.172 ppm2 8.207 volume 0.0666 assi ((( attr rmsd < 2.479) and (attr rmsd > 2.379)) and bondedto(attr rmsd < 42.003 and attr rmsd > 41.003)) ( attr rmsd < 9.429 and attr rmsd > 9.329) 6 6 0 peak 4704 ppm1 2.429 ppm2 9.379 volume 0.0699 assi ((( attr rmsd < 2.948) and (attr rmsd > 2.848)) and bondedto(attr rmsd < 41.816 and attr rmsd > 40.816)) ( attr rmsd < 9.438 and attr rmsd > 9.338) 6 6 0 peak 4705 ppm1 2.898 ppm2 9.388 volume 0.0827 assi ((( attr rmsd < 3.557) and (attr rmsd > 3.457)) and bondedto(attr rmsd < 65.202 and attr rmsd > 64.202)) ( attr rmsd < 7.741 and attr rmsd > 7.641) 6 6 0 peak 14706 ppm1 3.507 ppm2 7.691 volume 0.0934 assi ((( attr rmsd < 3.557) and (attr rmsd > 3.457)) and bondedto(attr rmsd < 17.682 and attr rmsd > 16.682)) ( attr rmsd < 7.741 and attr rmsd > 7.641) 6 6 0 peak 24706 ppm1 3.507 ppm2 7.691 volume 0.0934 assi ((( attr rmsd < 1.513) and (attr rmsd > 1.413)) and bondedto(attr rmsd < 41.442 and attr rmsd > 40.442)) ( attr rmsd < 8.991 and attr rmsd > 8.891) 6 6 0 peak 4707 ppm1 1.463 ppm2 8.941 volume 0.1037 assi ((( attr rmsd < 1.635) and (attr rmsd > 1.535)) and bondedto(attr rmsd < 65.389 and attr rmsd > 64.389)) ( attr rmsd < 8.314 and attr rmsd > 8.214) 6 6 0 peak 14708 ppm1 1.585 ppm2 8.264 volume 0.0688 assi ((( attr rmsd < 1.635) and (attr rmsd > 1.535)) and bondedto(attr rmsd < 17.869 and attr rmsd > 16.869)) ( attr rmsd < 8.314 and attr rmsd > 8.214) 6 6 0 peak 24708 ppm1 1.585 ppm2 8.264 volume 0.0688 assi ((( attr rmsd < 2.950) and (attr rmsd > 2.850)) and bondedto(attr rmsd < 42.003 and attr rmsd > 41.003)) ( attr rmsd < 9.048 and attr rmsd > 8.948) 6 6 0 peak 4709 ppm1 2.900 ppm2 8.998 volume 0.0895 assi ((( attr rmsd < 0.599) and (attr rmsd > 0.499)) and bondedto(attr rmsd < 65.389 and attr rmsd > 64.389)) ( attr rmsd < 8.456 and attr rmsd > 8.356) 6 6 0 peak 14710 ppm1 0.549 ppm2 8.406 volume 0.0602 assi ((( attr rmsd < 0.599) and (attr rmsd > 0.499)) and bondedto(attr rmsd < 17.869 and attr rmsd > 16.869)) ( attr rmsd < 8.456 and attr rmsd > 8.356) 6 6 0 peak 24710 ppm1 0.549 ppm2 8.406 volume 0.0602 assi ((( attr rmsd < 0.585) and (attr rmsd > 0.485)) and bondedto(attr rmsd < 65.389 and attr rmsd > 64.389)) ( attr rmsd < 7.620 and attr rmsd > 7.520) 6 6 0 peak 14711 ppm1 0.535 ppm2 7.570 volume 0.0689 assi ((( attr rmsd < 0.585) and (attr rmsd > 0.485)) and bondedto(attr rmsd < 17.869 and attr rmsd > 16.869)) ( attr rmsd < 7.620 and attr rmsd > 7.520) 6 6 0 peak 24711 ppm1 0.535 ppm2 7.570 volume 0.0689 assi ((( attr rmsd < 0.591) and (attr rmsd > 0.491)) and bondedto(attr rmsd < 65.389 and attr rmsd > 64.389)) ( attr rmsd < 5.479 and attr rmsd > 5.379) 6 6 0 peak 14712 ppm1 0.541 ppm2 5.429 volume 0.0670 assi ((( attr rmsd < 0.591) and (attr rmsd > 0.491)) and bondedto(attr rmsd < 17.869 and attr rmsd > 16.869)) ( attr rmsd < 5.479 and attr rmsd > 5.379) 6 6 0 peak 24712 ppm1 0.541 ppm2 5.429 volume 0.0670 assi ((( attr rmsd < 0.876) and (attr rmsd > 0.776)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 5.681 and attr rmsd > 5.581) 6 6 0 peak 14713 ppm1 0.826 ppm2 5.631 volume 0.1039 assi ((( attr rmsd < 0.876) and (attr rmsd > 0.776)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 5.681 and attr rmsd > 5.581) 6 6 0 peak 24713 ppm1 0.826 ppm2 5.631 volume 0.1039 assi ((( attr rmsd < 4.408) and (attr rmsd > 4.308)) and bondedto(attr rmsd < 41.442 and attr rmsd > 40.442)) ( attr rmsd < 8.230 and attr rmsd > 8.130) 6 6 0 peak 4714 ppm1 4.358 ppm2 8.180 volume 0.0857 assi ((( attr rmsd < 4.580) and (attr rmsd > 4.480)) and bondedto(attr rmsd < 65.015 and attr rmsd > 64.015)) ( attr rmsd < 5.069 and attr rmsd > 4.969) 6 6 0 peak 14715 ppm1 4.530 ppm2 5.019 volume 0.0904 assi ((( attr rmsd < 4.580) and (attr rmsd > 4.480)) and bondedto(attr rmsd < 17.495 and attr rmsd > 16.495)) ( attr rmsd < 5.069 and attr rmsd > 4.969) 6 6 0 peak 24715 ppm1 4.530 ppm2 5.019 volume 0.0904 assi ((( attr rmsd < 3.931) and (attr rmsd > 3.831)) and bondedto(attr rmsd < 64.641 and attr rmsd > 63.641)) ( attr rmsd < 7.296 and attr rmsd > 7.196) 6 6 0 peak 14716 ppm1 3.881 ppm2 7.246 volume 0.0746 assi ((( attr rmsd < 3.931) and (attr rmsd > 3.831)) and bondedto(attr rmsd < 17.121 and attr rmsd > 16.121)) ( attr rmsd < 7.296 and attr rmsd > 7.196) 6 6 0 peak 24716 ppm1 3.881 ppm2 7.246 volume 0.0746 assi ((( attr rmsd < 4.935) and (attr rmsd > 4.835)) and bondedto(attr rmsd < 64.267 and attr rmsd > 63.267)) ( attr rmsd < 7.850 and attr rmsd > 7.750) 6 6 0 peak 14717 ppm1 4.885 ppm2 7.800 volume 0.0740 assi ((( attr rmsd < 4.935) and (attr rmsd > 4.835)) and bondedto(attr rmsd < 16.747 and attr rmsd > 15.747)) ( attr rmsd < 7.850 and attr rmsd > 7.750) 6 6 0 peak 24717 ppm1 4.885 ppm2 7.800 volume 0.0740 assi ((( attr rmsd < 4.776) and (attr rmsd > 4.676)) and bondedto(attr rmsd < 64.267 and attr rmsd > 63.267)) ( attr rmsd < 7.837 and attr rmsd > 7.737) 6 6 0 peak 14718 ppm1 4.726 ppm2 7.787 volume 0.0822 assi ((( attr rmsd < 4.776) and (attr rmsd > 4.676)) and bondedto(attr rmsd < 16.747 and attr rmsd > 15.747)) ( attr rmsd < 7.837 and attr rmsd > 7.737) 6 6 0 peak 24718 ppm1 4.726 ppm2 7.787 volume 0.0822 assi ((( attr rmsd < 3.114) and (attr rmsd > 3.014)) and bondedto(attr rmsd < 41.255 and attr rmsd > 40.255)) ( attr rmsd < 8.551 and attr rmsd > 8.451) 6 6 0 peak 4719 ppm1 3.064 ppm2 8.501 volume 0.1068 assi ((( attr rmsd < 2.996) and (attr rmsd > 2.896)) and bondedto(attr rmsd < 41.255 and attr rmsd > 40.255)) ( attr rmsd < 8.553 and attr rmsd > 8.453) 6 6 0 peak 4720 ppm1 2.946 ppm2 8.503 volume 0.1045 assi ((( attr rmsd < 1.681) and (attr rmsd > 1.581)) and bondedto(attr rmsd < 40.694 and attr rmsd > 39.694)) ( attr rmsd < 7.599 and attr rmsd > 7.499) 6 6 0 peak 4721 ppm1 1.631 ppm2 7.549 volume 0.1265 assi ((( attr rmsd < 4.449) and (attr rmsd > 4.349)) and bondedto(attr rmsd < 63.518 and attr rmsd > 62.518)) ( attr rmsd < 8.597 and attr rmsd > 8.497) 6 6 0 peak 14722 ppm1 4.399 ppm2 8.547 volume 0.0987 assi ((( attr rmsd < 4.449) and (attr rmsd > 4.349)) and bondedto(attr rmsd < 15.998 and attr rmsd > 14.998)) ( attr rmsd < 8.597 and attr rmsd > 8.497) 6 6 0 peak 24722 ppm1 4.399 ppm2 8.547 volume 0.0987 assi ((( attr rmsd < 2.319) and (attr rmsd > 2.219)) and bondedto(attr rmsd < 39.197 and attr rmsd > 38.197)) ( attr rmsd < 7.315 and attr rmsd > 7.215) 6 6 0 peak 4723 ppm1 2.269 ppm2 7.265 volume 0.1093 assi ((( attr rmsd < 3.354) and (attr rmsd > 3.254)) and bondedto(attr rmsd < 38.449 and attr rmsd > 37.449)) ( attr rmsd < 8.950 and attr rmsd > 8.850) 6 6 0 peak 4724 ppm1 3.304 ppm2 8.900 volume 0.1247 assi ((( attr rmsd < 3.354) and (attr rmsd > 3.254)) and bondedto(attr rmsd < 38.449 and attr rmsd > 37.449)) ( attr rmsd < 8.735 and attr rmsd > 8.635) 6 6 0 peak 4725 ppm1 3.304 ppm2 8.685 volume 0.1264 assi ((( attr rmsd < 3.035) and (attr rmsd > 2.935)) and bondedto(attr rmsd < 38.449 and attr rmsd > 37.449)) ( attr rmsd < 8.736 and attr rmsd > 8.636) 6 6 0 peak 4726 ppm1 2.985 ppm2 8.686 volume 0.0902 assi ((( attr rmsd < 4.391) and (attr rmsd > 4.291)) and bondedto(attr rmsd < 62.022 and attr rmsd > 61.022)) ( attr rmsd < 9.528 and attr rmsd > 9.428) 6 6 0 peak 14727 ppm1 4.341 ppm2 9.478 volume 0.0640 assi ((( attr rmsd < 4.391) and (attr rmsd > 4.291)) and bondedto(attr rmsd < 14.502 and attr rmsd > 13.502)) ( attr rmsd < 9.528 and attr rmsd > 9.428) 6 6 0 peak 24727 ppm1 4.341 ppm2 9.478 volume 0.0640 assi ((( attr rmsd < 4.699) and (attr rmsd > 4.599)) and bondedto(attr rmsd < 62.957 and attr rmsd > 61.957)) ( attr rmsd < 7.651 and attr rmsd > 7.551) 6 6 0 peak 14728 ppm1 4.649 ppm2 7.601 volume 0.1505 assi ((( attr rmsd < 4.699) and (attr rmsd > 4.599)) and bondedto(attr rmsd < 15.437 and attr rmsd > 14.437)) ( attr rmsd < 7.651 and attr rmsd > 7.551) 6 6 0 peak 24728 ppm1 4.649 ppm2 7.601 volume 0.1505 assi ((( attr rmsd < 4.281) and (attr rmsd > 4.181)) and bondedto(attr rmsd < 61.835 and attr rmsd > 60.835)) ( attr rmsd < 8.467 and attr rmsd > 8.367) 6 6 0 peak 14729 ppm1 4.231 ppm2 8.417 volume 0.1055 assi ((( attr rmsd < 4.281) and (attr rmsd > 4.181)) and bondedto(attr rmsd < 14.315 and attr rmsd > 13.315)) ( attr rmsd < 8.467 and attr rmsd > 8.367) 6 6 0 peak 24729 ppm1 4.231 ppm2 8.417 volume 0.1055 assi ((( attr rmsd < 4.273) and (attr rmsd > 4.173)) and bondedto(attr rmsd < 61.835 and attr rmsd > 60.835)) ( attr rmsd < 8.306 and attr rmsd > 8.206) 6 6 0 peak 14730 ppm1 4.223 ppm2 8.256 volume 0.1027 assi ((( attr rmsd < 4.273) and (attr rmsd > 4.173)) and bondedto(attr rmsd < 14.315 and attr rmsd > 13.315)) ( attr rmsd < 8.306 and attr rmsd > 8.206) 6 6 0 peak 24730 ppm1 4.223 ppm2 8.256 volume 0.1027 assi ((( attr rmsd < 4.284) and (attr rmsd > 4.184)) and bondedto(attr rmsd < 61.835 and attr rmsd > 60.835)) ( attr rmsd < 7.846 and attr rmsd > 7.746) 6 6 0 peak 14731 ppm1 4.234 ppm2 7.796 volume 0.1052 assi ((( attr rmsd < 4.284) and (attr rmsd > 4.184)) and bondedto(attr rmsd < 14.315 and attr rmsd > 13.315)) ( attr rmsd < 7.846 and attr rmsd > 7.746) 6 6 0 peak 24731 ppm1 4.234 ppm2 7.796 volume 0.1052 assi ((( attr rmsd < 4.675) and (attr rmsd > 4.575)) and bondedto(attr rmsd < 38.075 and attr rmsd > 37.075)) ( attr rmsd < 8.424 and attr rmsd > 8.324) 6 6 0 peak 4732 ppm1 4.625 ppm2 8.374 volume 0.0895 assi ((( attr rmsd < 4.481) and (attr rmsd > 4.381)) and bondedto(attr rmsd < 61.273 and attr rmsd > 60.273)) ( attr rmsd < 8.142 and attr rmsd > 8.042) 6 6 0 peak 14733 ppm1 4.431 ppm2 8.092 volume 0.1412 assi ((( attr rmsd < 4.481) and (attr rmsd > 4.381)) and bondedto(attr rmsd < 13.753 and attr rmsd > 12.753)) ( attr rmsd < 8.142 and attr rmsd > 8.042) 6 6 0 peak 24733 ppm1 4.431 ppm2 8.092 volume 0.1412 assi ((( attr rmsd < 4.543) and (attr rmsd > 4.443)) and bondedto(attr rmsd < 60.899 and attr rmsd > 59.899)) ( attr rmsd < 9.117 and attr rmsd > 9.017) 6 6 0 peak 14734 ppm1 4.493 ppm2 9.067 volume 0.1206 assi ((( attr rmsd < 4.543) and (attr rmsd > 4.443)) and bondedto(attr rmsd < 13.379 and attr rmsd > 12.379)) ( attr rmsd < 9.117 and attr rmsd > 9.017) 6 6 0 peak 24734 ppm1 4.493 ppm2 9.067 volume 0.1206 assi ((( attr rmsd < 4.920) and (attr rmsd > 4.820)) and bondedto(attr rmsd < 60.151 and attr rmsd > 59.151)) ( attr rmsd < 8.659 and attr rmsd > 8.559) 6 6 0 peak 14735 ppm1 4.870 ppm2 8.609 volume 0.1402 assi ((( attr rmsd < 4.920) and (attr rmsd > 4.820)) and bondedto(attr rmsd < 12.631 and attr rmsd > 11.631)) ( attr rmsd < 8.659 and attr rmsd > 8.559) 6 6 0 peak 24735 ppm1 4.870 ppm2 8.609 volume 0.1402 assi ((( attr rmsd < 4.929) and (attr rmsd > 4.829)) and bondedto(attr rmsd < 60.151 and attr rmsd > 59.151)) ( attr rmsd < 8.079 and attr rmsd > 7.979) 6 6 0 peak 14736 ppm1 4.879 ppm2 8.029 volume 0.0857 assi ((( attr rmsd < 4.929) and (attr rmsd > 4.829)) and bondedto(attr rmsd < 12.631 and attr rmsd > 11.631)) ( attr rmsd < 8.079 and attr rmsd > 7.979) 6 6 0 peak 24736 ppm1 4.879 ppm2 8.029 volume 0.0857 assi ((( attr rmsd < 5.031) and (attr rmsd > 4.931)) and bondedto(attr rmsd < 60.338 and attr rmsd > 59.338)) ( attr rmsd < 8.951 and attr rmsd > 8.851) 6 6 0 peak 14737 ppm1 4.981 ppm2 8.901 volume 0.1116 assi ((( attr rmsd < 5.031) and (attr rmsd > 4.931)) and bondedto(attr rmsd < 12.818 and attr rmsd > 11.818)) ( attr rmsd < 8.951 and attr rmsd > 8.851) 6 6 0 peak 24737 ppm1 4.981 ppm2 8.901 volume 0.1116 assi ((( attr rmsd < 4.199) and (attr rmsd > 4.099)) and bondedto(attr rmsd < 60.338 and attr rmsd > 59.338)) ( attr rmsd < 9.801 and attr rmsd > 9.701) 6 6 0 peak 14738 ppm1 4.149 ppm2 9.751 volume 0.1333 assi ((( attr rmsd < 4.199) and (attr rmsd > 4.099)) and bondedto(attr rmsd < 12.818 and attr rmsd > 11.818)) ( attr rmsd < 9.801 and attr rmsd > 9.701) 6 6 0 peak 24738 ppm1 4.149 ppm2 9.751 volume 0.1333 assi ((( attr rmsd < 3.035) and (attr rmsd > 2.935)) and bondedto(attr rmsd < 38.636 and attr rmsd > 37.636)) ( attr rmsd < 7.670 and attr rmsd > 7.570) 6 6 0 peak 4739 ppm1 2.985 ppm2 7.620 volume 0.0948 assi ((( attr rmsd < 3.025) and (attr rmsd > 2.925)) ( attr rmsd < 7.015 and attr rmsd > 6.915) 6 6 0 peak 4740 ppm1 2.975 ppm2 6.965 volume 0.0711 assi ((( attr rmsd < 3.025) and (attr rmsd > 2.925)) and bondedto(attr rmsd < 38.636 and attr rmsd > 37.636)) ( attr rmsd < 7.015 and attr rmsd > 6.915) 6 6 0 peak 4740 ppm1 2.975 ppm2 6.965 volume 0.0711 assi ((( attr rmsd < 1.662) and (attr rmsd > 1.562)) and bondedto(attr rmsd < 38.823 and attr rmsd > 37.823)) ( attr rmsd < 8.504 and attr rmsd > 8.404) 6 6 0 peak 4741 ppm1 1.612 ppm2 8.454 volume 0.0971 assi ((( attr rmsd < 2.161) and (attr rmsd > 2.061)) and bondedto(attr rmsd < 36.765 and attr rmsd > 35.765)) ( attr rmsd < 8.452 and attr rmsd > 8.352) 6 6 0 peak 4742 ppm1 2.111 ppm2 8.402 volume 0.0812 assi ((( attr rmsd < 1.592) and (attr rmsd > 1.492)) and bondedto(attr rmsd < 36.204 and attr rmsd > 35.204)) ( attr rmsd < 9.527 and attr rmsd > 9.427) 6 6 0 peak 4743 ppm1 1.542 ppm2 9.477 volume 0.1383 assi ((( attr rmsd < 1.591) and (attr rmsd > 1.491)) ( attr rmsd < 6.993 and attr rmsd > 6.893) 6 6 0 peak 4744 ppm1 1.541 ppm2 6.943 volume 0.0944 assi ((( attr rmsd < 1.591) and (attr rmsd > 1.491)) and bondedto(attr rmsd < 36.017 and attr rmsd > 35.017)) ( attr rmsd < 6.993 and attr rmsd > 6.893) 6 6 0 peak 4744 ppm1 1.541 ppm2 6.943 volume 0.0944 assi ((( attr rmsd < 1.600) and (attr rmsd > 1.500)) ( attr rmsd < 6.694 and attr rmsd > 6.594) 6 6 0 peak 4745 ppm1 1.550 ppm2 6.644 volume 0.1271 assi ((( attr rmsd < 1.600) and (attr rmsd > 1.500)) and bondedto(attr rmsd < 36.017 and attr rmsd > 35.017)) ( attr rmsd < 6.694 and attr rmsd > 6.594) 6 6 0 peak 4745 ppm1 1.550 ppm2 6.644 volume 0.1271 assi ((( attr rmsd < 2.541) and (attr rmsd > 2.441)) and bondedto(attr rmsd < 35.455 and attr rmsd > 34.455)) ( attr rmsd < 7.677 and attr rmsd > 7.577) 6 6 0 peak 4746 ppm1 2.491 ppm2 7.627 volume 0.0854 assi ((( attr rmsd < 2.369) and (attr rmsd > 2.269)) and bondedto(attr rmsd < 35.455 and attr rmsd > 34.455)) ( attr rmsd < 7.684 and attr rmsd > 7.584) 6 6 0 peak 4747 ppm1 2.319 ppm2 7.634 volume 0.1035 assi ((( attr rmsd < 0.918) and (attr rmsd > 0.818)) and bondedto(attr rmsd < 61.835 and attr rmsd > 60.835)) ( attr rmsd < 9.440 and attr rmsd > 9.340) 6 6 0 peak 14748 ppm1 0.868 ppm2 9.390 volume 0.1117 assi ((( attr rmsd < 0.918) and (attr rmsd > 0.818)) and bondedto(attr rmsd < 14.315 and attr rmsd > 13.315)) ( attr rmsd < 9.440 and attr rmsd > 9.340) 6 6 0 peak 24748 ppm1 0.868 ppm2 9.390 volume 0.1117 assi ((( attr rmsd < 0.687) and (attr rmsd > 0.587)) and bondedto(attr rmsd < 62.022 and attr rmsd > 61.022)) ( attr rmsd < 8.502 and attr rmsd > 8.402) 6 6 0 peak 14749 ppm1 0.637 ppm2 8.452 volume 0.0709 assi ((( attr rmsd < 0.687) and (attr rmsd > 0.587)) and bondedto(attr rmsd < 14.502 and attr rmsd > 13.502)) ( attr rmsd < 8.502 and attr rmsd > 8.402) 6 6 0 peak 24749 ppm1 0.637 ppm2 8.452 volume 0.0709 assi ((( attr rmsd < 0.702) and (attr rmsd > 0.602)) and bondedto(attr rmsd < 62.022 and attr rmsd > 61.022)) ( attr rmsd < 5.855 and attr rmsd > 5.755) 6 6 0 peak 14750 ppm1 0.652 ppm2 5.805 volume 0.0814 assi ((( attr rmsd < 0.702) and (attr rmsd > 0.602)) and bondedto(attr rmsd < 14.502 and attr rmsd > 13.502)) ( attr rmsd < 5.855 and attr rmsd > 5.755) 6 6 0 peak 24750 ppm1 0.652 ppm2 5.805 volume 0.0814 assi ((( attr rmsd < 0.696) and (attr rmsd > 0.596)) and bondedto(attr rmsd < 62.022 and attr rmsd > 61.022)) ( attr rmsd < 5.457 and attr rmsd > 5.357) 6 6 0 peak 14751 ppm1 0.646 ppm2 5.407 volume 0.0754 assi ((( attr rmsd < 0.696) and (attr rmsd > 0.596)) and bondedto(attr rmsd < 14.502 and attr rmsd > 13.502)) ( attr rmsd < 5.457 and attr rmsd > 5.357) 6 6 0 peak 24751 ppm1 0.646 ppm2 5.407 volume 0.0754 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 62.022 and attr rmsd > 61.022)) ( attr rmsd < 5.131 and attr rmsd > 5.031) 6 6 0 peak 14752 ppm1 0.645 ppm2 5.081 volume 0.0614 assi ((( attr rmsd < 0.695) and (attr rmsd > 0.595)) and bondedto(attr rmsd < 14.502 and attr rmsd > 13.502)) ( attr rmsd < 5.131 and attr rmsd > 5.031) 6 6 0 peak 24752 ppm1 0.645 ppm2 5.081 volume 0.0614 assi ((( attr rmsd < 0.713) and (attr rmsd > 0.613)) and bondedto(attr rmsd < 61.460 and attr rmsd > 60.460)) ( attr rmsd < 8.660 and attr rmsd > 8.560) 6 6 0 peak 14753 ppm1 0.663 ppm2 8.610 volume 0.0941 assi ((( attr rmsd < 0.713) and (attr rmsd > 0.613)) and bondedto(attr rmsd < 13.940 and attr rmsd > 12.940)) ( attr rmsd < 8.660 and attr rmsd > 8.560) 6 6 0 peak 24753 ppm1 0.663 ppm2 8.610 volume 0.0941 assi ((( attr rmsd < 0.864) and (attr rmsd > 0.764)) and bondedto(attr rmsd < 61.086 and attr rmsd > 60.086)) ( attr rmsd < 9.035 and attr rmsd > 8.935) 6 6 0 peak 14754 ppm1 0.814 ppm2 8.985 volume 0.1082 assi ((( attr rmsd < 0.864) and (attr rmsd > 0.764)) and bondedto(attr rmsd < 13.566 and attr rmsd > 12.566)) ( attr rmsd < 9.035 and attr rmsd > 8.935) 6 6 0 peak 24754 ppm1 0.814 ppm2 8.985 volume 0.1082 assi ((( attr rmsd < 0.872) and (attr rmsd > 0.772)) and bondedto(attr rmsd < 61.086 and attr rmsd > 60.086)) ( attr rmsd < 8.266 and attr rmsd > 8.166) 6 6 0 peak 14755 ppm1 0.822 ppm2 8.216 volume 0.0692 assi ((( attr rmsd < 0.872) and (attr rmsd > 0.772)) and bondedto(attr rmsd < 13.566 and attr rmsd > 12.566)) ( attr rmsd < 8.266 and attr rmsd > 8.166) 6 6 0 peak 24755 ppm1 0.822 ppm2 8.216 volume 0.0692 assi ((( attr rmsd < 4.504) and (attr rmsd > 4.404)) ( attr rmsd < 6.989 and attr rmsd > 6.889) 6 6 0 peak 4756 ppm1 4.454 ppm2 6.939 volume 0.1431 assi ((( attr rmsd < 4.504) and (attr rmsd > 4.404)) and bondedto(attr rmsd < 60.151 and attr rmsd > 59.151)) ( attr rmsd < 6.989 and attr rmsd > 6.889) 6 6 0 peak 14756 ppm1 4.454 ppm2 6.939 volume 0.1431 assi ((( attr rmsd < 4.504) and (attr rmsd > 4.404)) and bondedto(attr rmsd < 12.631 and attr rmsd > 11.631)) ( attr rmsd < 6.989 and attr rmsd > 6.889) 6 6 0 peak 24756 ppm1 4.454 ppm2 6.939 volume 0.1431 assi ((( attr rmsd < 4.509) and (attr rmsd > 4.409)) ( attr rmsd < 6.688 and attr rmsd > 6.588) 6 6 0 peak 4757 ppm1 4.459 ppm2 6.638 volume 0.0623 assi ((( attr rmsd < 4.509) and (attr rmsd > 4.409)) and bondedto(attr rmsd < 60.151 and attr rmsd > 59.151)) ( attr rmsd < 6.688 and attr rmsd > 6.588) 6 6 0 peak 14757 ppm1 4.459 ppm2 6.638 volume 0.0623 assi ((( attr rmsd < 4.509) and (attr rmsd > 4.409)) and bondedto(attr rmsd < 12.631 and attr rmsd > 11.631)) ( attr rmsd < 6.688 and attr rmsd > 6.588) 6 6 0 peak 24757 ppm1 4.459 ppm2 6.638 volume 0.0623 assi ((( attr rmsd < 4.518) and (attr rmsd > 4.418)) and bondedto(attr rmsd < 60.151 and attr rmsd > 59.151)) ( attr rmsd < 5.850 and attr rmsd > 5.750) 6 6 0 peak 14758 ppm1 4.468 ppm2 5.800 volume 0.0635 assi ((( attr rmsd < 4.518) and (attr rmsd > 4.418)) and bondedto(attr rmsd < 12.631 and attr rmsd > 11.631)) ( attr rmsd < 5.850 and attr rmsd > 5.750) 6 6 0 peak 24758 ppm1 4.468 ppm2 5.800 volume 0.0635 assi ((( attr rmsd < 4.623) and (attr rmsd > 4.523)) and bondedto(attr rmsd < 60.151 and attr rmsd > 59.151)) ( attr rmsd < 5.688 and attr rmsd > 5.588) 6 6 0 peak 14759 ppm1 4.573 ppm2 5.638 volume 0.0696 assi ((( attr rmsd < 4.623) and (attr rmsd > 4.523)) and bondedto(attr rmsd < 12.631 and attr rmsd > 11.631)) ( attr rmsd < 5.688 and attr rmsd > 5.588) 6 6 0 peak 24759 ppm1 4.573 ppm2 5.638 volume 0.0696 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) ( attr rmsd < 7.227 and attr rmsd > 7.127) 6 6 0 peak 4760 ppm1 4.835 ppm2 7.177 volume 0.0894 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 59.964 and attr rmsd > 58.964)) ( attr rmsd < 7.227 and attr rmsd > 7.127) 6 6 0 peak 14760 ppm1 4.835 ppm2 7.177 volume 0.0894 assi ((( attr rmsd < 4.885) and (attr rmsd > 4.785)) and bondedto(attr rmsd < 12.444 and attr rmsd > 11.444)) ( attr rmsd < 7.227 and attr rmsd > 7.127) 6 6 0 peak 24760 ppm1 4.835 ppm2 7.177 volume 0.0894 assi ((( attr rmsd < 4.749) and (attr rmsd > 4.649)) ( attr rmsd < 7.218 and attr rmsd > 7.118) 6 6 0 peak 4761 ppm1 4.699 ppm2 7.168 volume 0.1143 assi ((( attr rmsd < 4.749) and (attr rmsd > 4.649)) and bondedto(attr rmsd < 59.964 and attr rmsd > 58.964)) ( attr rmsd < 7.218 and attr rmsd > 7.118) 6 6 0 peak 14761 ppm1 4.699 ppm2 7.168 volume 0.1143 assi ((( attr rmsd < 4.749) and (attr rmsd > 4.649)) and bondedto(attr rmsd < 12.444 and attr rmsd > 11.444)) ( attr rmsd < 7.218 and attr rmsd > 7.118) 6 6 0 peak 24761 ppm1 4.699 ppm2 7.168 volume 0.1143 assi ((( attr rmsd < 4.091) and (attr rmsd > 3.991)) and bondedto(attr rmsd < 60.525 and attr rmsd > 59.525)) ( attr rmsd < 7.835 and attr rmsd > 7.735) 6 6 0 peak 14762 ppm1 4.041 ppm2 7.785 volume 0.0788 assi ((( attr rmsd < 4.091) and (attr rmsd > 3.991)) and bondedto(attr rmsd < 13.005 and attr rmsd > 12.005)) ( attr rmsd < 7.835 and attr rmsd > 7.735) 6 6 0 peak 24762 ppm1 4.041 ppm2 7.785 volume 0.0788 assi ((( attr rmsd < 4.264) and (attr rmsd > 4.164)) and bondedto(attr rmsd < 59.028 and attr rmsd > 58.028)) ( attr rmsd < 7.911 and attr rmsd > 7.811) 6 6 0 peak 14763 ppm1 4.214 ppm2 7.861 volume 0.1259 assi ((( attr rmsd < 4.264) and (attr rmsd > 4.164)) and bondedto(attr rmsd < 11.508 and attr rmsd > 10.508)) ( attr rmsd < 7.911 and attr rmsd > 7.811) 6 6 0 peak 24763 ppm1 4.214 ppm2 7.861 volume 0.1259 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 58.467 and attr rmsd > 57.467)) ( attr rmsd < 8.164 and attr rmsd > 8.064) 6 6 0 peak 14764 ppm1 3.822 ppm2 8.114 volume 0.1442 assi ((( attr rmsd < 3.872) and (attr rmsd > 3.772)) and bondedto(attr rmsd < 10.947 and attr rmsd > 9.947)) ( attr rmsd < 8.164 and attr rmsd > 8.064) 6 6 0 peak 24764 ppm1 3.822 ppm2 8.114 volume 0.1442 assi ((( attr rmsd < 3.718) and (attr rmsd > 3.618)) and bondedto(attr rmsd < 58.280 and attr rmsd > 57.280)) ( attr rmsd < 8.340 and attr rmsd > 8.240) 6 6 0 peak 14765 ppm1 3.668 ppm2 8.290 volume 0.1069 assi ((( attr rmsd < 3.718) and (attr rmsd > 3.618)) and bondedto(attr rmsd < 10.760 and attr rmsd > 9.760)) ( attr rmsd < 8.340 and attr rmsd > 8.240) 6 6 0 peak 24765 ppm1 3.668 ppm2 8.290 volume 0.1069 assi ((( attr rmsd < 4.904) and (attr rmsd > 4.804)) and bondedto(attr rmsd < 59.590 and attr rmsd > 58.590)) ( attr rmsd < 8.118 and attr rmsd > 8.018) 6 6 0 peak 14766 ppm1 4.854 ppm2 8.068 volume 0.0728 assi ((( attr rmsd < 4.904) and (attr rmsd > 4.804)) and bondedto(attr rmsd < 12.070 and attr rmsd > 11.070)) ( attr rmsd < 8.118 and attr rmsd > 8.018) 6 6 0 peak 24766 ppm1 4.854 ppm2 8.068 volume 0.0728 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 59.590 and attr rmsd > 58.590)) ( attr rmsd < 8.118 and attr rmsd > 8.018) 6 6 0 peak 14767 ppm1 4.715 ppm2 8.068 volume 0.0684 assi ((( attr rmsd < 4.765) and (attr rmsd > 4.665)) and bondedto(attr rmsd < 12.070 and attr rmsd > 11.070)) ( attr rmsd < 8.118 and attr rmsd > 8.018) 6 6 0 peak 24767 ppm1 4.715 ppm2 8.068 volume 0.0684 assi ((( attr rmsd < 1.788) and (attr rmsd > 1.688)) and bondedto(attr rmsd < 34.707 and attr rmsd > 33.707)) ( attr rmsd < 8.965 and attr rmsd > 8.865) 6 6 0 peak 4768 ppm1 1.738 ppm2 8.915 volume 0.0786 assi ((( attr rmsd < 2.479) and (attr rmsd > 2.379)) and bondedto(attr rmsd < 34.520 and attr rmsd > 33.520)) ( attr rmsd < 7.680 and attr rmsd > 7.580) 6 6 0 peak 4769 ppm1 2.429 ppm2 7.630 volume 0.0886 assi ((( attr rmsd < 2.050) and (attr rmsd > 1.950)) and bondedto(attr rmsd < 34.520 and attr rmsd > 33.520)) ( attr rmsd < 7.735 and attr rmsd > 7.635) 6 6 0 peak 4770 ppm1 2.000 ppm2 7.685 volume 0.0685 assi ((( attr rmsd < 1.791) and (attr rmsd > 1.691)) and bondedto(attr rmsd < 34.520 and attr rmsd > 33.520)) ( attr rmsd < 7.742 and attr rmsd > 7.642) 6 6 0 peak 4771 ppm1 1.741 ppm2 7.692 volume 0.0686 assi ((( attr rmsd < 1.584) and (attr rmsd > 1.484)) and bondedto(attr rmsd < 35.081 and attr rmsd > 34.081)) ( attr rmsd < 9.205 and attr rmsd > 9.105) 6 6 0 peak 4772 ppm1 1.534 ppm2 9.155 volume 0.0821 assi ((( attr rmsd < 1.479) and (attr rmsd > 1.379)) and bondedto(attr rmsd < 35.081 and attr rmsd > 34.081)) ( attr rmsd < 9.197 and attr rmsd > 9.097) 6 6 0 peak 4773 ppm1 1.429 ppm2 9.147 volume 0.1036 assi ((( attr rmsd < 1.497) and (attr rmsd > 1.397)) and bondedto(attr rmsd < 35.081 and attr rmsd > 34.081)) ( attr rmsd < 8.500 and attr rmsd > 8.400) 6 6 0 peak 4774 ppm1 1.447 ppm2 8.450 volume 0.0986 assi ((( attr rmsd < 1.590) and (attr rmsd > 1.490)) and bondedto(attr rmsd < 35.081 and attr rmsd > 34.081)) ( attr rmsd < 8.505 and attr rmsd > 8.405) 6 6 0 peak 4775 ppm1 1.540 ppm2 8.455 volume 0.1194 assi ((( attr rmsd < 1.842) and (attr rmsd > 1.742)) and bondedto(attr rmsd < 35.268 and attr rmsd > 34.268)) ( attr rmsd < 8.704 and attr rmsd > 8.604) 6 6 0 peak 4776 ppm1 1.792 ppm2 8.654 volume 0.1256 assi ((( attr rmsd < 1.723) and (attr rmsd > 1.623)) and bondedto(attr rmsd < 35.268 and attr rmsd > 34.268)) ( attr rmsd < 8.703 and attr rmsd > 8.603) 6 6 0 peak 4777 ppm1 1.673 ppm2 8.653 volume 0.1238 assi ((( attr rmsd < 1.742) and (attr rmsd > 1.642)) and bondedto(attr rmsd < 35.081 and attr rmsd > 34.081)) ( attr rmsd < 5.053 and attr rmsd > 4.953) 6 6 0 peak 4778 ppm1 1.692 ppm2 5.003 volume 0.2470 assi ((( attr rmsd < 3.884) and (attr rmsd > 3.784)) and bondedto(attr rmsd < 58.467 and attr rmsd > 57.467)) ( attr rmsd < 7.597 and attr rmsd > 7.497) 6 6 0 peak 14779 ppm1 3.834 ppm2 7.547 volume 0.1068 assi ((( attr rmsd < 3.884) and (attr rmsd > 3.784)) and bondedto(attr rmsd < 10.947 and attr rmsd > 9.947)) ( attr rmsd < 7.597 and attr rmsd > 7.497) 6 6 0 peak 24779 ppm1 3.834 ppm2 7.547 volume 0.1068 assi ((( attr rmsd < 5.852) and (attr rmsd > 5.752)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 4780 ppm1 5.802 ppm2 6.642 volume 0.0660 assi ((( attr rmsd < 5.852) and (attr rmsd > 5.752)) and bondedto(attr rmsd < 56.970 and attr rmsd > 55.970)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 14780 ppm1 5.802 ppm2 6.642 volume 0.0660 assi ((( attr rmsd < 5.852) and (attr rmsd > 5.752)) and bondedto(attr rmsd < 9.450 and attr rmsd > 8.450)) ( attr rmsd < 6.692 and attr rmsd > 6.592) 6 6 0 peak 24780 ppm1 5.802 ppm2 6.642 volume 0.0660 assi ((( attr rmsd < 5.850) and (attr rmsd > 5.750)) and bondedto(attr rmsd < 56.970 and attr rmsd > 55.970)) ( attr rmsd < 8.080 and attr rmsd > 7.980) 6 6 0 peak 14781 ppm1 5.800 ppm2 8.030 volume 0.1441 assi ((( attr rmsd < 5.850) and (attr rmsd > 5.750)) and bondedto(attr rmsd < 9.450 and attr rmsd > 8.450)) ( attr rmsd < 8.080 and attr rmsd > 7.980) 6 6 0 peak 24781 ppm1 5.800 ppm2 8.030 volume 0.1441 assi ((( attr rmsd < 5.854) and (attr rmsd > 5.754)) and bondedto(attr rmsd < 56.970 and attr rmsd > 55.970)) ( attr rmsd < 8.888 and attr rmsd > 8.788) 6 6 0 peak 14782 ppm1 5.804 ppm2 8.838 volume 0.0843 assi ((( attr rmsd < 5.854) and (attr rmsd > 5.754)) and bondedto(attr rmsd < 9.450 and attr rmsd > 8.450)) ( attr rmsd < 8.888 and attr rmsd > 8.788) 6 6 0 peak 24782 ppm1 5.804 ppm2 8.838 volume 0.0843 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 56.970 and attr rmsd > 55.970)) ( attr rmsd < 8.897 and attr rmsd > 8.797) 6 6 0 peak 14783 ppm1 4.893 ppm2 8.847 volume 0.1372 assi ((( attr rmsd < 4.943) and (attr rmsd > 4.843)) and bondedto(attr rmsd < 9.450 and attr rmsd > 8.450)) ( attr rmsd < 8.897 and attr rmsd > 8.797) 6 6 0 peak 24783 ppm1 4.893 ppm2 8.847 volume 0.1372 assi ((( attr rmsd < 4.949) and (attr rmsd > 4.849)) ( attr rmsd < 7.214 and attr rmsd > 7.114) 6 6 0 peak 4784 ppm1 4.899 ppm2 7.164 volume 0.1305 assi ((( attr rmsd < 4.949) and (attr rmsd > 4.849)) and bondedto(attr rmsd < 56.970 and attr rmsd > 55.970)) ( attr rmsd < 7.214 and attr rmsd > 7.114) 6 6 0 peak 14784 ppm1 4.899 ppm2 7.164 volume 0.1305 assi ((( attr rmsd < 4.949) and (attr rmsd > 4.849)) and bondedto(attr rmsd < 9.450 and attr rmsd > 8.450)) ( attr rmsd < 7.214 and attr rmsd > 7.114) 6 6 0 peak 24784 ppm1 4.899 ppm2 7.164 volume 0.1305 assi ((( attr rmsd < 4.893) and (attr rmsd > 4.793)) and bondedto(attr rmsd < 56.970 and attr rmsd > 55.970)) ( attr rmsd < 5.833 and attr rmsd > 5.733) 6 6 0 peak 14785 ppm1 4.843 ppm2 5.783 volume 0.0785 assi ((( attr rmsd < 4.893) and (attr rmsd > 4.793)) and bondedto(attr rmsd < 9.450 and attr rmsd > 8.450)) ( attr rmsd < 5.833 and attr rmsd > 5.733) 6 6 0 peak 24785 ppm1 4.843 ppm2 5.783 volume 0.0785 assi ((( attr rmsd < 4.681) and (attr rmsd > 4.581)) and bondedto(attr rmsd < 56.970 and attr rmsd > 55.970)) ( attr rmsd < 8.956 and attr rmsd > 8.856) 6 6 0 peak 14786 ppm1 4.631 ppm2 8.906 volume 0.0761 assi ((( attr rmsd < 4.681) and (attr rmsd > 4.581)) and bondedto(attr rmsd < 9.450 and attr rmsd > 8.450)) ( attr rmsd < 8.956 and attr rmsd > 8.856) 6 6 0 peak 24786 ppm1 4.631 ppm2 8.906 volume 0.0761 assi ((( attr rmsd < 1.834) and (attr rmsd > 1.734)) and bondedto(attr rmsd < 33.959 and attr rmsd > 32.959)) ( attr rmsd < 8.547 and attr rmsd > 8.447) 6 6 0 peak 4787 ppm1 1.784 ppm2 8.497 volume 0.0896 assi ((( attr rmsd < 2.479) and (attr rmsd > 2.379)) and bondedto(attr rmsd < 33.959 and attr rmsd > 32.959)) ( attr rmsd < 8.250 and attr rmsd > 8.150) 6 6 0 peak 4788 ppm1 2.429 ppm2 8.200 volume 0.0980 assi ((( attr rmsd < 2.111) and (attr rmsd > 2.011)) and bondedto(attr rmsd < 33.959 and attr rmsd > 32.959)) ( attr rmsd < 8.250 and attr rmsd > 8.150) 6 6 0 peak 4789 ppm1 2.061 ppm2 8.200 volume 0.0698 assi ((( attr rmsd < 1.957) and (attr rmsd > 1.857)) and bondedto(attr rmsd < 33.959 and attr rmsd > 32.959)) ( attr rmsd < 8.244 and attr rmsd > 8.144) 6 6 0 peak 4790 ppm1 1.907 ppm2 8.194 volume 0.0661 assi ((( attr rmsd < 2.100) and (attr rmsd > 2.000)) and bondedto(attr rmsd < 33.585 and attr rmsd > 32.585)) ( attr rmsd < 8.250 and attr rmsd > 8.150) 6 6 0 peak 4791 ppm1 2.050 ppm2 8.200 volume 0.0958 assi ((( attr rmsd < 1.967) and (attr rmsd > 1.867)) and bondedto(attr rmsd < 33.585 and attr rmsd > 32.585)) ( attr rmsd < 8.254 and attr rmsd > 8.154) 6 6 0 peak 4792 ppm1 1.917 ppm2 8.204 volume 0.1199 assi ((( attr rmsd < 2.052) and (attr rmsd > 1.952)) and bondedto(attr rmsd < 32.836 and attr rmsd > 31.836)) ( attr rmsd < 8.439 and attr rmsd > 8.339) 6 6 0 peak 4793 ppm1 2.002 ppm2 8.389 volume 0.0794 assi ((( attr rmsd < 2.027) and (attr rmsd > 1.927)) and bondedto(attr rmsd < 32.836 and attr rmsd > 31.836)) ( attr rmsd < 8.981 and attr rmsd > 8.881) 6 6 0 peak 4794 ppm1 1.977 ppm2 8.931 volume 0.1150 assi ((( attr rmsd < 2.476) and (attr rmsd > 2.376)) and bondedto(attr rmsd < 33.023 and attr rmsd > 32.023)) ( attr rmsd < 8.984 and attr rmsd > 8.884) 6 6 0 peak 4795 ppm1 2.426 ppm2 8.934 volume 0.1195 assi ((( attr rmsd < 2.752) and (attr rmsd > 2.652)) and bondedto(attr rmsd < 32.462 and attr rmsd > 31.462)) ( attr rmsd < 8.153 and attr rmsd > 8.053) 6 6 0 peak 4796 ppm1 2.702 ppm2 8.103 volume 0.1385 assi ((( attr rmsd < 2.978) and (attr rmsd > 2.878)) and bondedto(attr rmsd < 32.462 and attr rmsd > 31.462)) ( attr rmsd < 6.599 and attr rmsd > 6.499) 6 6 0 peak 4797 ppm1 2.928 ppm2 6.549 volume 0.0652 assi ((( attr rmsd < 2.750) and (attr rmsd > 2.650)) and bondedto(attr rmsd < 32.462 and attr rmsd > 31.462)) ( attr rmsd < 6.595 and attr rmsd > 6.495) 6 6 0 peak 4798 ppm1 2.700 ppm2 6.545 volume 0.0657 assi ((( attr rmsd < 2.068) and (attr rmsd > 1.968)) and bondedto(attr rmsd < 32.462 and attr rmsd > 31.462)) ( attr rmsd < 5.052 and attr rmsd > 4.952) 6 6 0 peak 4799 ppm1 2.018 ppm2 5.002 volume 0.0901 assi ((( attr rmsd < 1.864) and (attr rmsd > 1.764)) and bondedto(attr rmsd < 32.088 and attr rmsd > 31.088)) ( attr rmsd < 8.895 and attr rmsd > 8.795) 6 6 0 peak 4800 ppm1 1.814 ppm2 8.845 volume 0.1109 assi ((( attr rmsd < 4.475) and (attr rmsd > 4.375)) and bondedto(attr rmsd < 61.273 and attr rmsd > 60.273)) ( attr rmsd < 7.788 and attr rmsd > 7.688) 6 6 0 peak 14801 ppm1 4.425 ppm2 7.738 volume 0.0614 assi ((( attr rmsd < 4.475) and (attr rmsd > 4.375)) and bondedto(attr rmsd < 13.753 and attr rmsd > 12.753)) ( attr rmsd < 7.788 and attr rmsd > 7.688) 6 6 0 peak 24801 ppm1 4.425 ppm2 7.738 volume 0.0614 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 56.035 and attr rmsd > 55.035)) ( attr rmsd < 8.885 and attr rmsd > 8.785) 6 6 0 peak 14802 ppm1 4.680 ppm2 8.835 volume 0.3312 assi ((( attr rmsd < 4.730) and (attr rmsd > 4.630)) and bondedto(attr rmsd < 8.515 and attr rmsd > 7.515)) ( attr rmsd < 8.885 and attr rmsd > 8.785) 6 6 0 peak 24802 ppm1 4.680 ppm2 8.835 volume 0.3312 assi ((( attr rmsd < 3.883) and (attr rmsd > 3.783)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 7.832 and attr rmsd > 7.732) 6 6 0 peak 14803 ppm1 3.833 ppm2 7.782 volume 0.1318 assi ((( attr rmsd < 3.883) and (attr rmsd > 3.783)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 7.832 and attr rmsd > 7.732) 6 6 0 peak 24803 ppm1 3.833 ppm2 7.782 volume 0.1318 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 55.661 and attr rmsd > 54.661)) ( attr rmsd < 7.319 and attr rmsd > 7.219) 6 6 0 peak 14804 ppm1 4.142 ppm2 7.269 volume 0.0814 assi ((( attr rmsd < 4.192) and (attr rmsd > 4.092)) and bondedto(attr rmsd < 8.141 and attr rmsd > 7.141)) ( attr rmsd < 7.319 and attr rmsd > 7.219) 6 6 0 peak 24804 ppm1 4.142 ppm2 7.269 volume 0.0814 assi ((( attr rmsd < 4.195) and (attr rmsd > 4.095)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 7.316 and attr rmsd > 7.216) 6 6 0 peak 14805 ppm1 4.145 ppm2 7.266 volume 0.1267 assi ((( attr rmsd < 4.195) and (attr rmsd > 4.095)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 7.316 and attr rmsd > 7.216) 6 6 0 peak 24805 ppm1 4.145 ppm2 7.266 volume 0.1267 assi ((( attr rmsd < 3.831) and (attr rmsd > 3.731)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 7.314 and attr rmsd > 7.214) 6 6 0 peak 14806 ppm1 3.781 ppm2 7.264 volume 0.0670 assi ((( attr rmsd < 3.831) and (attr rmsd > 3.731)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 7.314 and attr rmsd > 7.214) 6 6 0 peak 24806 ppm1 3.781 ppm2 7.264 volume 0.0670 assi ((( attr rmsd < 5.670) and (attr rmsd > 5.570)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 8.393 and attr rmsd > 8.293) 6 6 0 peak 14807 ppm1 5.620 ppm2 8.343 volume 0.1287 assi ((( attr rmsd < 5.670) and (attr rmsd > 5.570)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 8.393 and attr rmsd > 8.293) 6 6 0 peak 24807 ppm1 5.620 ppm2 8.343 volume 0.1287 assi ((( attr rmsd < 5.460) and (attr rmsd > 5.360)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 6.607 and attr rmsd > 6.507) 6 6 0 peak 14808 ppm1 5.410 ppm2 6.557 volume 0.0860 assi ((( attr rmsd < 5.460) and (attr rmsd > 5.360)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 6.607 and attr rmsd > 6.507) 6 6 0 peak 24808 ppm1 5.410 ppm2 6.557 volume 0.0860 assi ((( attr rmsd < 2.966) and (attr rmsd > 2.866)) and bondedto(attr rmsd < 32.462 and attr rmsd > 31.462)) ( attr rmsd < 9.107 and attr rmsd > 9.007) 6 6 0 peak 4809 ppm1 2.916 ppm2 9.057 volume 0.0633 assi ((( attr rmsd < 2.758) and (attr rmsd > 2.658)) and bondedto(attr rmsd < 32.462 and attr rmsd > 31.462)) ( attr rmsd < 9.123 and attr rmsd > 9.023) 6 6 0 peak 4810 ppm1 2.708 ppm2 9.073 volume 0.0686 assi ((( attr rmsd < 1.848) and (attr rmsd > 1.748)) and bondedto(attr rmsd < 31.714 and attr rmsd > 30.714)) ( attr rmsd < 8.416 and attr rmsd > 8.316) 6 6 0 peak 4811 ppm1 1.798 ppm2 8.366 volume 0.1176 assi ((( attr rmsd < 6.279) and (attr rmsd > 6.179)) and bondedto(attr rmsd < 55.474 and attr rmsd > 54.474)) ( attr rmsd < 9.760 and attr rmsd > 9.660) 6 6 0 peak 14812 ppm1 6.229 ppm2 9.710 volume 0.0884 assi ((( attr rmsd < 6.279) and (attr rmsd > 6.179)) and bondedto(attr rmsd < 7.954 and attr rmsd > 6.954)) ( attr rmsd < 9.760 and attr rmsd > 9.660) 6 6 0 peak 24812 ppm1 6.229 ppm2 9.710 volume 0.0884 assi ((( attr rmsd < 2.373) and (attr rmsd > 2.273)) and bondedto(attr rmsd < 32.088 and attr rmsd > 31.088)) ( attr rmsd < 3.643 and attr rmsd > 3.543) 6 6 0 peak 4813 ppm1 2.323 ppm2 3.593 volume 0.1285 assi ((( attr rmsd < 2.529) and (attr rmsd > 2.429)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.960 and attr rmsd > 3.860) 6 6 0 peak 14814 ppm1 2.479 ppm2 3.910 volume 0.1305 assi ((( attr rmsd < 2.529) and (attr rmsd > 2.429)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.960 and attr rmsd > 3.860) 6 6 0 peak 24814 ppm1 2.479 ppm2 3.910 volume 0.1305 assi ((( attr rmsd < 2.523) and (attr rmsd > 2.423)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.303 and attr rmsd > 3.203) 6 6 0 peak 14815 ppm1 2.473 ppm2 3.253 volume 0.0733 assi ((( attr rmsd < 2.523) and (attr rmsd > 2.423)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.303 and attr rmsd > 3.203) 6 6 0 peak 24815 ppm1 2.473 ppm2 3.253 volume 0.0733 assi ((( attr rmsd < 2.525) and (attr rmsd > 2.425)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.823 and attr rmsd > 2.723) 6 6 0 peak 14816 ppm1 2.475 ppm2 2.773 volume 0.0833 assi ((( attr rmsd < 2.525) and (attr rmsd > 2.425)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.823 and attr rmsd > 2.723) 6 6 0 peak 24816 ppm1 2.475 ppm2 2.773 volume 0.0833 assi ((( attr rmsd < 1.814) and (attr rmsd > 1.714)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.816 and attr rmsd > 2.716) 6 6 0 peak 14817 ppm1 1.764 ppm2 2.766 volume 0.1095 assi ((( attr rmsd < 1.814) and (attr rmsd > 1.714)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.816 and attr rmsd > 2.716) 6 6 0 peak 24817 ppm1 1.764 ppm2 2.766 volume 0.1095 assi ((( attr rmsd < 2.088) and (attr rmsd > 1.988)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 2.364 and attr rmsd > 2.264) 6 6 0 peak 14818 ppm1 2.038 ppm2 2.314 volume 0.2245 assi ((( attr rmsd < 2.088) and (attr rmsd > 1.988)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 2.364 and attr rmsd > 2.264) 6 6 0 peak 24818 ppm1 2.038 ppm2 2.314 volume 0.2245 assi ((( attr rmsd < 0.417) and (attr rmsd > 0.317)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 1.796 and attr rmsd > 1.696) 6 6 0 peak 14819 ppm1 0.367 ppm2 1.746 volume 0.0924 assi ((( attr rmsd < 0.417) and (attr rmsd > 0.317)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 1.796 and attr rmsd > 1.696) 6 6 0 peak 24819 ppm1 0.367 ppm2 1.746 volume 0.0924 assi ((( attr rmsd < 2.029) and (attr rmsd > 1.929)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 0.950 and attr rmsd > 0.850) 6 6 0 peak 14820 ppm1 1.979 ppm2 0.900 volume 0.0989 assi ((( attr rmsd < 2.029) and (attr rmsd > 1.929)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 0.950 and attr rmsd > 0.850) 6 6 0 peak 24820 ppm1 1.979 ppm2 0.900 volume 0.0989 assi ((( attr rmsd < 2.358) and (attr rmsd > 2.258)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 0.924 and attr rmsd > 0.824) 6 6 0 peak 14821 ppm1 2.308 ppm2 0.874 volume 0.0690 assi ((( attr rmsd < 2.358) and (attr rmsd > 2.258)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 0.924 and attr rmsd > 0.824) 6 6 0 peak 24821 ppm1 2.308 ppm2 0.874 volume 0.0690 assi ((( attr rmsd < 2.374) and (attr rmsd > 2.274)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.162 and attr rmsd > 4.062) 6 6 0 peak 14822 ppm1 2.324 ppm2 4.112 volume 0.0735 assi ((( attr rmsd < 2.374) and (attr rmsd > 2.274)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.162 and attr rmsd > 4.062) 6 6 0 peak 24822 ppm1 2.324 ppm2 4.112 volume 0.0735 assi ((( attr rmsd < 3.016) and (attr rmsd > 2.916)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.306 and attr rmsd > 3.206) 6 6 0 peak 14823 ppm1 2.966 ppm2 3.256 volume 0.3594 assi ((( attr rmsd < 3.016) and (attr rmsd > 2.916)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.306 and attr rmsd > 3.206) 6 6 0 peak 24823 ppm1 2.966 ppm2 3.256 volume 0.3594 assi ((( attr rmsd < 3.294) and (attr rmsd > 3.194)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 3.021 and attr rmsd > 2.921) 6 6 0 peak 14824 ppm1 3.244 ppm2 2.971 volume 0.3543 assi ((( attr rmsd < 3.294) and (attr rmsd > 3.194)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 3.021 and attr rmsd > 2.921) 6 6 0 peak 24824 ppm1 3.244 ppm2 2.971 volume 0.3543 assi ((( attr rmsd < 4.275) and (attr rmsd > 4.175)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 0.739 and attr rmsd > 0.639) 6 6 0 peak 4825 ppm1 4.225 ppm2 0.689 volume 0.1313 assi ((( attr rmsd < 4.308) and (attr rmsd > 4.208)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.241 and attr rmsd > 1.141) 6 6 0 peak 4826 ppm1 4.258 ppm2 1.191 volume 0.0634 assi ((( attr rmsd < 4.528) and (attr rmsd > 4.428)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.477 and attr rmsd > 2.377) 6 6 0 peak 4827 ppm1 4.478 ppm2 2.427 volume 0.1332 assi ((( attr rmsd < 5.673) and (attr rmsd > 5.573)) and bondedto(attr rmsd < 55.286 and attr rmsd > 54.286)) ( attr rmsd < 0.879 and attr rmsd > 0.779) 6 6 0 peak 4828 ppm1 5.623 ppm2 0.829 volume 0.1346 assi ((( attr rmsd < 5.467) and (attr rmsd > 5.367)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 4829 ppm1 5.417 ppm2 2.030 volume 0.0749 assi ((( attr rmsd < 3.191) and (attr rmsd > 3.091)) and bondedto(attr rmsd < 79.233 and attr rmsd > 78.233)) ( attr rmsd < 4.733 and attr rmsd > 4.633) 6 6 0 peak 14830 ppm1 3.141 ppm2 4.683 volume 0.4723 assi ((( attr rmsd < 3.191) and (attr rmsd > 3.091)) and bondedto(attr rmsd < 31.713 and attr rmsd > 30.713)) ( attr rmsd < 4.733 and attr rmsd > 4.633) 6 6 0 peak 24830 ppm1 3.141 ppm2 4.683 volume 0.4723 assi ((( attr rmsd < 4.732) and (attr rmsd > 4.632)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 2.779 and attr rmsd > 2.679) 6 6 0 peak 4831 ppm1 4.682 ppm2 2.729 volume 0.0963 assi ((( attr rmsd < 1.003) and (attr rmsd > 0.903)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.837 and attr rmsd > 1.737) 6 6 0 peak 4832 ppm1 0.953 ppm2 1.787 volume 0.1184 assi ((( attr rmsd < 0.886) and (attr rmsd > 0.786)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.217 and attr rmsd > 1.117) 6 6 0 peak 4833 ppm1 0.836 ppm2 1.167 volume 0.0921 assi ((( attr rmsd < 0.937) and (attr rmsd > 0.837)) and bondedto(attr rmsd < 55.473 and attr rmsd > 54.473)) ( attr rmsd < 1.457 and attr rmsd > 1.357) 6 6 0 peak 4834 ppm1 0.887 ppm2 1.407 volume 0.1105 assi ((( attr rmsd < 1.893) and (attr rmsd > 1.793)) and bondedto(attr rmsd < 78.672 and attr rmsd > 77.672)) ( attr rmsd < 3.933 and attr rmsd > 3.833) 6 6 0 peak 14835 ppm1 1.843 ppm2 3.883 volume 0.0659 assi ((( attr rmsd < 1.893) and (attr rmsd > 1.793)) and bondedto(attr rmsd < 31.152 and attr rmsd > 30.152)) ( attr rmsd < 3.933 and attr rmsd > 3.833) 6 6 0 peak 24835 ppm1 1.843 ppm2 3.883 volume 0.0659 assi ((( attr rmsd < 2.273) and (attr rmsd > 2.173)) and bondedto(attr rmsd < 78.485 and attr rmsd > 77.485)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 14836 ppm1 2.223 ppm2 4.484 volume 0.0719 assi ((( attr rmsd < 2.273) and (attr rmsd > 2.173)) and bondedto(attr rmsd < 30.965 and attr rmsd > 29.965)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 24836 ppm1 2.223 ppm2 4.484 volume 0.0719 assi ((( attr rmsd < 2.025) and (attr rmsd > 1.925)) and bondedto(attr rmsd < 78.485 and attr rmsd > 77.485)) ( attr rmsd < 4.527 and attr rmsd > 4.427) 6 6 0 peak 14837 ppm1 1.975 ppm2 4.477 volume 0.0767 assi ((( attr rmsd < 2.025) and (attr rmsd > 1.925)) and bondedto(attr rmsd < 30.965 and attr rmsd > 29.965)) ( attr rmsd < 4.527 and attr rmsd > 4.427) 6 6 0 peak 24837 ppm1 1.975 ppm2 4.477 volume 0.0767 assi ((( attr rmsd < 2.330) and (attr rmsd > 2.230)) and bondedto(attr rmsd < 78.111 and attr rmsd > 77.111)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 14838 ppm1 2.280 ppm2 4.620 volume 0.0894 assi ((( attr rmsd < 2.330) and (attr rmsd > 2.230)) and bondedto(attr rmsd < 30.591 and attr rmsd > 29.591)) ( attr rmsd < 4.670 and attr rmsd > 4.570) 6 6 0 peak 24838 ppm1 2.280 ppm2 4.620 volume 0.0894 assi ((( attr rmsd < 2.315) and (attr rmsd > 2.215)) and bondedto(attr rmsd < 78.111 and attr rmsd > 77.111)) ( attr rmsd < 5.015 and attr rmsd > 4.915) 6 6 0 peak 14839 ppm1 2.265 ppm2 4.965 volume 0.0976 assi ((( attr rmsd < 2.315) and (attr rmsd > 2.215)) and bondedto(attr rmsd < 30.591 and attr rmsd > 29.591)) ( attr rmsd < 5.015 and attr rmsd > 4.915) 6 6 0 peak 24839 ppm1 2.265 ppm2 4.965 volume 0.0976 assi ((( attr rmsd < 1.664) and (attr rmsd > 1.564)) and bondedto(attr rmsd < 78.672 and attr rmsd > 77.672)) ( attr rmsd < 0.986 and attr rmsd > 0.886) 6 6 0 peak 14840 ppm1 1.614 ppm2 0.936 volume 0.1202 assi ((( attr rmsd < 1.664) and (attr rmsd > 1.564)) and bondedto(attr rmsd < 31.152 and attr rmsd > 30.152)) ( attr rmsd < 0.986 and attr rmsd > 0.886) 6 6 0 peak 24840 ppm1 1.614 ppm2 0.936 volume 0.1202 assi ((( attr rmsd < 2.265) and (attr rmsd > 2.165)) and bondedto(attr rmsd < 78.672 and attr rmsd > 77.672)) ( attr rmsd < 1.611 and attr rmsd > 1.511) 6 6 0 peak 14841 ppm1 2.215 ppm2 1.561 volume 0.0840 assi ((( attr rmsd < 2.265) and (attr rmsd > 2.165)) and bondedto(attr rmsd < 31.152 and attr rmsd > 30.152)) ( attr rmsd < 1.611 and attr rmsd > 1.511) 6 6 0 peak 24841 ppm1 2.215 ppm2 1.561 volume 0.0840 assi ((( attr rmsd < 3.044) and (attr rmsd > 2.944)) and bondedto(attr rmsd < 78.672 and attr rmsd > 77.672)) ( attr rmsd < 1.764 and attr rmsd > 1.664) 6 6 0 peak 14842 ppm1 2.994 ppm2 1.714 volume 0.0862 assi ((( attr rmsd < 3.044) and (attr rmsd > 2.944)) and bondedto(attr rmsd < 31.152 and attr rmsd > 30.152)) ( attr rmsd < 1.764 and attr rmsd > 1.664) 6 6 0 peak 24842 ppm1 2.994 ppm2 1.714 volume 0.0862 assi ((( attr rmsd < 1.869) and (attr rmsd > 1.769)) and bondedto(attr rmsd < 77.924 and attr rmsd > 76.924)) ( attr rmsd < 4.553 and attr rmsd > 4.453) 6 6 0 peak 14843 ppm1 1.819 ppm2 4.503 volume 0.0919 assi ((( attr rmsd < 1.869) and (attr rmsd > 1.769)) and bondedto(attr rmsd < 30.404 and attr rmsd > 29.404)) ( attr rmsd < 4.553 and attr rmsd > 4.453) 6 6 0 peak 24843 ppm1 1.819 ppm2 4.503 volume 0.0919 assi ((( attr rmsd < 1.769) and (attr rmsd > 1.669)) and bondedto(attr rmsd < 77.924 and attr rmsd > 76.924)) ( attr rmsd < 4.541 and attr rmsd > 4.441) 6 6 0 peak 14844 ppm1 1.719 ppm2 4.491 volume 0.0847 assi ((( attr rmsd < 1.769) and (attr rmsd > 1.669)) and bondedto(attr rmsd < 30.404 and attr rmsd > 29.404)) ( attr rmsd < 4.541 and attr rmsd > 4.441) 6 6 0 peak 24844 ppm1 1.719 ppm2 4.491 volume 0.0847 assi ((( attr rmsd < 1.778) and (attr rmsd > 1.678)) and bondedto(attr rmsd < 77.924 and attr rmsd > 76.924)) ( attr rmsd < 4.652 and attr rmsd > 4.552) 6 6 0 peak 14845 ppm1 1.728 ppm2 4.602 volume 0.1076 assi ((( attr rmsd < 1.778) and (attr rmsd > 1.678)) and bondedto(attr rmsd < 30.404 and attr rmsd > 29.404)) ( attr rmsd < 4.652 and attr rmsd > 4.552) 6 6 0 peak 24845 ppm1 1.728 ppm2 4.602 volume 0.1076 assi ((( attr rmsd < 1.874) and (attr rmsd > 1.774)) and bondedto(attr rmsd < 77.924 and attr rmsd > 76.924)) ( attr rmsd < 4.631 and attr rmsd > 4.531) 6 6 0 peak 14846 ppm1 1.824 ppm2 4.581 volume 0.0916 assi ((( attr rmsd < 1.874) and (attr rmsd > 1.774)) and bondedto(attr rmsd < 30.404 and attr rmsd > 29.404)) ( attr rmsd < 4.631 and attr rmsd > 4.531) 6 6 0 peak 24846 ppm1 1.824 ppm2 4.581 volume 0.0916 assi ((( attr rmsd < 2.327) and (attr rmsd > 2.227)) and bondedto(attr rmsd < 78.485 and attr rmsd > 77.485)) ( attr rmsd < 1.353 and attr rmsd > 1.253) 6 6 0 peak 14847 ppm1 2.277 ppm2 1.303 volume 0.0733 assi ((( attr rmsd < 2.327) and (attr rmsd > 2.227)) and bondedto(attr rmsd < 30.965 and attr rmsd > 29.965)) ( attr rmsd < 1.353 and attr rmsd > 1.253) 6 6 0 peak 24847 ppm1 2.277 ppm2 1.303 volume 0.0733 assi ((( attr rmsd < 3.008) and (attr rmsd > 2.908)) and bondedto(attr rmsd < 78.672 and attr rmsd > 77.672)) ( attr rmsd < 3.729 and attr rmsd > 3.629) 6 6 0 peak 14848 ppm1 2.958 ppm2 3.679 volume 0.1255 assi ((( attr rmsd < 3.008) and (attr rmsd > 2.908)) and bondedto(attr rmsd < 31.152 and attr rmsd > 30.152)) ( attr rmsd < 3.729 and attr rmsd > 3.629) 6 6 0 peak 24848 ppm1 2.958 ppm2 3.679 volume 0.1255 assi ((( attr rmsd < 3.643) and (attr rmsd > 3.543)) and bondedto(attr rmsd < 78.485 and attr rmsd > 77.485)) ( attr rmsd < 3.854 and attr rmsd > 3.754) 6 6 0 peak 14849 ppm1 3.593 ppm2 3.804 volume 0.3864 assi ((( attr rmsd < 3.643) and (attr rmsd > 3.543)) and bondedto(attr rmsd < 30.965 and attr rmsd > 29.965)) ( attr rmsd < 3.854 and attr rmsd > 3.754) 6 6 0 peak 24849 ppm1 3.593 ppm2 3.804 volume 0.3864 assi ((( attr rmsd < 1.789) and (attr rmsd > 1.689)) and bondedto(attr rmsd < 77.737 and attr rmsd > 76.737)) ( attr rmsd < 3.064 and attr rmsd > 2.964) 6 6 0 peak 14850 ppm1 1.739 ppm2 3.014 volume 0.1166 assi ((( attr rmsd < 1.789) and (attr rmsd > 1.689)) and bondedto(attr rmsd < 30.217 and attr rmsd > 29.217)) ( attr rmsd < 3.064 and attr rmsd > 2.964) 6 6 0 peak 24850 ppm1 1.739 ppm2 3.014 volume 0.1166 assi ((( attr rmsd < 1.677) and (attr rmsd > 1.577)) and bondedto(attr rmsd < 77.737 and attr rmsd > 76.737)) ( attr rmsd < 3.006 and attr rmsd > 2.906) 6 6 0 peak 14851 ppm1 1.627 ppm2 2.956 volume 0.2315 assi ((( attr rmsd < 1.677) and (attr rmsd > 1.577)) and bondedto(attr rmsd < 30.217 and attr rmsd > 29.217)) ( attr rmsd < 3.006 and attr rmsd > 2.906) 6 6 0 peak 24851 ppm1 1.627 ppm2 2.956 volume 0.2315 assi ((( attr rmsd < 2.326) and (attr rmsd > 2.226)) and bondedto(attr rmsd < 77.924 and attr rmsd > 76.924)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 14852 ppm1 2.276 ppm2 3.664 volume 0.0703 assi ((( attr rmsd < 2.326) and (attr rmsd > 2.226)) and bondedto(attr rmsd < 30.404 and attr rmsd > 29.404)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 24852 ppm1 2.276 ppm2 3.664 volume 0.0703 assi ((( attr rmsd < 1.010) and (attr rmsd > 0.910)) and bondedto(attr rmsd < 54.164 and attr rmsd > 53.164)) ( attr rmsd < 2.290 and attr rmsd > 2.190) 6 6 0 peak 4853 ppm1 0.960 ppm2 2.240 volume 0.0647 assi ((( attr rmsd < 1.012) and (attr rmsd > 0.912)) and bondedto(attr rmsd < 54.164 and attr rmsd > 53.164)) ( attr rmsd < 2.133 and attr rmsd > 2.033) 6 6 0 peak 4854 ppm1 0.962 ppm2 2.083 volume 0.0854 assi ((( attr rmsd < 0.997) and (attr rmsd > 0.897)) and bondedto(attr rmsd < 54.164 and attr rmsd > 53.164)) ( attr rmsd < 1.732 and attr rmsd > 1.632) 6 6 0 peak 4855 ppm1 0.947 ppm2 1.682 volume 0.0689 assi ((( attr rmsd < 1.010) and (attr rmsd > 0.910)) and bondedto(attr rmsd < 54.164 and attr rmsd > 53.164)) ( attr rmsd < 1.324 and attr rmsd > 1.224) 6 6 0 peak 4856 ppm1 0.960 ppm2 1.274 volume 0.0710 assi ((( attr rmsd < 1.011) and (attr rmsd > 0.911)) and bondedto(attr rmsd < 54.164 and attr rmsd > 53.164)) ( attr rmsd < 1.056 and attr rmsd > 0.956) 6 6 0 peak 4857 ppm1 0.961 ppm2 1.006 volume 0.1362 assi ((( attr rmsd < 4.400) and (attr rmsd > 4.300)) and bondedto(attr rmsd < 77.737 and attr rmsd > 76.737)) ( attr rmsd < 2.352 and attr rmsd > 2.252) 6 6 0 peak 14858 ppm1 4.350 ppm2 2.302 volume 0.0734 assi ((( attr rmsd < 4.400) and (attr rmsd > 4.300)) and bondedto(attr rmsd < 30.217 and attr rmsd > 29.217)) ( attr rmsd < 2.352 and attr rmsd > 2.252) 6 6 0 peak 24858 ppm1 4.350 ppm2 2.302 volume 0.0734 assi ((( attr rmsd < 4.397) and (attr rmsd > 4.297)) and bondedto(attr rmsd < 77.550 and attr rmsd > 76.550)) ( attr rmsd < 2.146 and attr rmsd > 2.046) 6 6 0 peak 14859 ppm1 4.347 ppm2 2.096 volume 0.0868 assi ((( attr rmsd < 4.397) and (attr rmsd > 4.297)) and bondedto(attr rmsd < 30.030 and attr rmsd > 29.030)) ( attr rmsd < 2.146 and attr rmsd > 2.046) 6 6 0 peak 24859 ppm1 4.347 ppm2 2.096 volume 0.0868 assi ((( attr rmsd < 4.395) and (attr rmsd > 4.295)) and bondedto(attr rmsd < 77.550 and attr rmsd > 76.550)) ( attr rmsd < 2.049 and attr rmsd > 1.949) 6 6 0 peak 14860 ppm1 4.345 ppm2 1.999 volume 0.0975 assi ((( attr rmsd < 4.395) and (attr rmsd > 4.295)) and bondedto(attr rmsd < 30.030 and attr rmsd > 29.030)) ( attr rmsd < 2.049 and attr rmsd > 1.949) 6 6 0 peak 24860 ppm1 4.345 ppm2 1.999 volume 0.0975 assi ((( attr rmsd < 2.325) and (attr rmsd > 2.225)) and bondedto(attr rmsd < 78.111 and attr rmsd > 77.111)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 14861 ppm1 2.275 ppm2 1.204 volume 0.0878 assi ((( attr rmsd < 2.325) and (attr rmsd > 2.225)) and bondedto(attr rmsd < 30.591 and attr rmsd > 29.591)) ( attr rmsd < 1.254 and attr rmsd > 1.154) 6 6 0 peak 24861 ppm1 2.275 ppm2 1.204 volume 0.0878 assi ((( attr rmsd < 2.323) and (attr rmsd > 2.223)) and bondedto(attr rmsd < 78.111 and attr rmsd > 77.111)) ( attr rmsd < 1.346 and attr rmsd > 1.246) 6 6 0 peak 14862 ppm1 2.273 ppm2 1.296 volume 0.0840 assi ((( attr rmsd < 2.323) and (attr rmsd > 2.223)) and bondedto(attr rmsd < 30.591 and attr rmsd > 29.591)) ( attr rmsd < 1.346 and attr rmsd > 1.246) 6 6 0 peak 24862 ppm1 2.273 ppm2 1.296 volume 0.0840 assi ((( attr rmsd < 2.318) and (attr rmsd > 2.218)) and bondedto(attr rmsd < 78.111 and attr rmsd > 77.111)) ( attr rmsd < 1.792 and attr rmsd > 1.692) 6 6 0 peak 14863 ppm1 2.268 ppm2 1.742 volume 0.0633 assi ((( attr rmsd < 2.318) and (attr rmsd > 2.218)) and bondedto(attr rmsd < 30.591 and attr rmsd > 29.591)) ( attr rmsd < 1.792 and attr rmsd > 1.692) 6 6 0 peak 24863 ppm1 2.268 ppm2 1.742 volume 0.0633 assi ((( attr rmsd < 5.120) and (attr rmsd > 5.020)) and bondedto(attr rmsd < 53.603 and attr rmsd > 52.603)) ( attr rmsd < 2.818 and attr rmsd > 2.718) 6 6 0 peak 4864 ppm1 5.070 ppm2 2.768 volume 0.1292 assi ((( attr rmsd < 0.841) and (attr rmsd > 0.741)) and bondedto(attr rmsd < 77.175 and attr rmsd > 76.175)) ( attr rmsd < 4.402 and attr rmsd > 4.302) 6 6 0 peak 14865 ppm1 0.791 ppm2 4.352 volume 0.1151 assi ((( attr rmsd < 0.841) and (attr rmsd > 0.741)) and bondedto(attr rmsd < 29.655 and attr rmsd > 28.655)) ( attr rmsd < 4.402 and attr rmsd > 4.302) 6 6 0 peak 24865 ppm1 0.791 ppm2 4.352 volume 0.1151 assi ((( attr rmsd < 0.845) and (attr rmsd > 0.745)) and bondedto(attr rmsd < 77.175 and attr rmsd > 76.175)) ( attr rmsd < 1.343 and attr rmsd > 1.243) 6 6 0 peak 14866 ppm1 0.795 ppm2 1.293 volume 0.1398 assi ((( attr rmsd < 0.845) and (attr rmsd > 0.745)) and bondedto(attr rmsd < 29.655 and attr rmsd > 28.655)) ( attr rmsd < 1.343 and attr rmsd > 1.243) 6 6 0 peak 24866 ppm1 0.795 ppm2 1.293 volume 0.1398 assi ((( attr rmsd < 1.163) and (attr rmsd > 1.063)) and bondedto(attr rmsd < 77.175 and attr rmsd > 76.175)) ( attr rmsd < 0.906 and attr rmsd > 0.806) 6 6 0 peak 14867 ppm1 1.113 ppm2 0.856 volume 0.1139 assi ((( attr rmsd < 1.163) and (attr rmsd > 1.063)) and bondedto(attr rmsd < 29.655 and attr rmsd > 28.655)) ( attr rmsd < 0.906 and attr rmsd > 0.806) 6 6 0 peak 24867 ppm1 1.113 ppm2 0.856 volume 0.1139 assi ((( attr rmsd < 2.220) and (attr rmsd > 2.120)) and bondedto(attr rmsd < 76.240 and attr rmsd > 75.240)) ( attr rmsd < 2.820 and attr rmsd > 2.720) 6 6 0 peak 14868 ppm1 2.170 ppm2 2.770 volume 0.0765 assi ((( attr rmsd < 2.220) and (attr rmsd > 2.120)) and bondedto(attr rmsd < 28.720 and attr rmsd > 27.720)) ( attr rmsd < 2.820 and attr rmsd > 2.720) 6 6 0 peak 24868 ppm1 2.170 ppm2 2.770 volume 0.0765 assi ((( attr rmsd < 2.144) and (attr rmsd > 2.044)) and bondedto(attr rmsd < 76.240 and attr rmsd > 75.240)) ( attr rmsd < 2.818 and attr rmsd > 2.718) 6 6 0 peak 14869 ppm1 2.094 ppm2 2.768 volume 0.0974 assi ((( attr rmsd < 2.144) and (attr rmsd > 2.044)) and bondedto(attr rmsd < 28.720 and attr rmsd > 27.720)) ( attr rmsd < 2.818 and attr rmsd > 2.718) 6 6 0 peak 24869 ppm1 2.094 ppm2 2.768 volume 0.0974 assi ((( attr rmsd < 4.466) and (attr rmsd > 4.366)) and bondedto(attr rmsd < 52.480 and attr rmsd > 51.480)) ( attr rmsd < 0.774 and attr rmsd > 0.674) 6 6 0 peak 4870 ppm1 4.416 ppm2 0.724 volume 0.1160 assi ((( attr rmsd < 4.467) and (attr rmsd > 4.367)) and bondedto(attr rmsd < 52.480 and attr rmsd > 51.480)) ( attr rmsd < 1.584 and attr rmsd > 1.484) 6 6 0 peak 4871 ppm1 4.417 ppm2 1.534 volume 0.0967 assi ((( attr rmsd < 0.966) and (attr rmsd > 0.866)) and bondedto(attr rmsd < 76.053 and attr rmsd > 75.053)) ( attr rmsd < 2.824 and attr rmsd > 2.724) 6 6 0 peak 14872 ppm1 0.916 ppm2 2.774 volume 0.1181 assi ((( attr rmsd < 0.966) and (attr rmsd > 0.866)) and bondedto(attr rmsd < 28.533 and attr rmsd > 27.533)) ( attr rmsd < 2.824 and attr rmsd > 2.724) 6 6 0 peak 24872 ppm1 0.916 ppm2 2.774 volume 0.1181 assi ((( attr rmsd < 2.213) and (attr rmsd > 2.113)) and bondedto(attr rmsd < 75.866 and attr rmsd > 74.866)) ( attr rmsd < 3.014 and attr rmsd > 2.914) 6 6 0 peak 14873 ppm1 2.163 ppm2 2.964 volume 0.1068 assi ((( attr rmsd < 2.213) and (attr rmsd > 2.113)) and bondedto(attr rmsd < 28.346 and attr rmsd > 27.346)) ( attr rmsd < 3.014 and attr rmsd > 2.914) 6 6 0 peak 24873 ppm1 2.163 ppm2 2.964 volume 0.1068 assi ((( attr rmsd < 2.216) and (attr rmsd > 2.116)) and bondedto(attr rmsd < 75.866 and attr rmsd > 74.866)) ( attr rmsd < 3.285 and attr rmsd > 3.185) 6 6 0 peak 14874 ppm1 2.166 ppm2 3.235 volume 0.0825 assi ((( attr rmsd < 2.216) and (attr rmsd > 2.116)) and bondedto(attr rmsd < 28.346 and attr rmsd > 27.346)) ( attr rmsd < 3.285 and attr rmsd > 3.185) 6 6 0 peak 24874 ppm1 2.166 ppm2 3.235 volume 0.0825 assi ((( attr rmsd < 3.929) and (attr rmsd > 3.829)) and bondedto(attr rmsd < 76.053 and attr rmsd > 75.053)) ( attr rmsd < 4.481 and attr rmsd > 4.381) 6 6 0 peak 14875 ppm1 3.879 ppm2 4.431 volume 0.0784 assi ((( attr rmsd < 3.929) and (attr rmsd > 3.829)) and bondedto(attr rmsd < 28.533 and attr rmsd > 27.533)) ( attr rmsd < 4.481 and attr rmsd > 4.381) 6 6 0 peak 24875 ppm1 3.879 ppm2 4.431 volume 0.0784 assi ((( attr rmsd < 3.800) and (attr rmsd > 3.700)) and bondedto(attr rmsd < 76.053 and attr rmsd > 75.053)) ( attr rmsd < 4.495 and attr rmsd > 4.395) 6 6 0 peak 14876 ppm1 3.750 ppm2 4.445 volume 0.0718 assi ((( attr rmsd < 3.800) and (attr rmsd > 3.700)) and bondedto(attr rmsd < 28.533 and attr rmsd > 27.533)) ( attr rmsd < 4.495 and attr rmsd > 4.395) 6 6 0 peak 24876 ppm1 3.750 ppm2 4.445 volume 0.0718 assi ((( attr rmsd < 3.977) and (attr rmsd > 3.877)) and bondedto(attr rmsd < 76.053 and attr rmsd > 75.053)) ( attr rmsd < 5.065 and attr rmsd > 4.965) 6 6 0 peak 14877 ppm1 3.927 ppm2 5.015 volume 0.0731 assi ((( attr rmsd < 3.977) and (attr rmsd > 3.877)) and bondedto(attr rmsd < 28.533 and attr rmsd > 27.533)) ( attr rmsd < 5.065 and attr rmsd > 4.965) 6 6 0 peak 24877 ppm1 3.927 ppm2 5.015 volume 0.0731 assi ((( attr rmsd < 4.041) and (attr rmsd > 3.941)) and bondedto(attr rmsd < 76.240 and attr rmsd > 75.240)) ( attr rmsd < 3.724 and attr rmsd > 3.624) 6 6 0 peak 14878 ppm1 3.991 ppm2 3.674 volume 0.1090 assi ((( attr rmsd < 4.041) and (attr rmsd > 3.941)) and bondedto(attr rmsd < 28.720 and attr rmsd > 27.720)) ( attr rmsd < 3.724 and attr rmsd > 3.624) 6 6 0 peak 24878 ppm1 3.991 ppm2 3.674 volume 0.1090 assi ((( attr rmsd < 3.979) and (attr rmsd > 3.879)) and bondedto(attr rmsd < 76.053 and attr rmsd > 75.053)) ( attr rmsd < 2.186 and attr rmsd > 2.086) 6 6 0 peak 14879 ppm1 3.929 ppm2 2.136 volume 0.0625 assi ((( attr rmsd < 3.979) and (attr rmsd > 3.879)) and bondedto(attr rmsd < 28.533 and attr rmsd > 27.533)) ( attr rmsd < 2.186 and attr rmsd > 2.086) 6 6 0 peak 24879 ppm1 3.929 ppm2 2.136 volume 0.0625 assi ((( attr rmsd < 3.973) and (attr rmsd > 3.873)) and bondedto(attr rmsd < 76.053 and attr rmsd > 75.053)) ( attr rmsd < 2.089 and attr rmsd > 1.989) 6 6 0 peak 14880 ppm1 3.923 ppm2 2.039 volume 0.0766 assi ((( attr rmsd < 3.973) and (attr rmsd > 3.873)) and bondedto(attr rmsd < 28.533 and attr rmsd > 27.533)) ( attr rmsd < 2.089 and attr rmsd > 1.989) 6 6 0 peak 24880 ppm1 3.923 ppm2 2.039 volume 0.0766 assi ((( attr rmsd < 0.414) and (attr rmsd > 0.314)) and bondedto(attr rmsd < 75.492 and attr rmsd > 74.492)) ( attr rmsd < 1.205 and attr rmsd > 1.105) 6 6 0 peak 14881 ppm1 0.364 ppm2 1.155 volume 0.0679 assi ((( attr rmsd < 0.414) and (attr rmsd > 0.314)) and bondedto(attr rmsd < 27.972 and attr rmsd > 26.972)) ( attr rmsd < 1.205 and attr rmsd > 1.105) 6 6 0 peak 24881 ppm1 0.364 ppm2 1.155 volume 0.0679 assi ((( attr rmsd < 1.195) and (attr rmsd > 1.095)) and bondedto(attr rmsd < 75.492 and attr rmsd > 74.492)) ( attr rmsd < 0.427 and attr rmsd > 0.327) 6 6 0 peak 14882 ppm1 1.145 ppm2 0.377 volume 0.0907 assi ((( attr rmsd < 1.195) and (attr rmsd > 1.095)) and bondedto(attr rmsd < 27.972 and attr rmsd > 26.972)) ( attr rmsd < 0.427 and attr rmsd > 0.327) 6 6 0 peak 24882 ppm1 1.145 ppm2 0.377 volume 0.0907 assi ((( attr rmsd < 1.996) and (attr rmsd > 1.896)) and bondedto(attr rmsd < 75.305 and attr rmsd > 74.305)) ( attr rmsd < 0.594 and attr rmsd > 0.494) 6 6 0 peak 14883 ppm1 1.946 ppm2 0.544 volume 0.0934 assi ((( attr rmsd < 1.996) and (attr rmsd > 1.896)) and bondedto(attr rmsd < 27.785 and attr rmsd > 26.785)) ( attr rmsd < 0.594 and attr rmsd > 0.494) 6 6 0 peak 24883 ppm1 1.946 ppm2 0.544 volume 0.0934 assi ((( attr rmsd < 1.801) and (attr rmsd > 1.701)) and bondedto(attr rmsd < 75.118 and attr rmsd > 74.118)) ( attr rmsd < 2.340 and attr rmsd > 2.240) 6 6 0 peak 14884 ppm1 1.751 ppm2 2.290 volume 0.1021 assi ((( attr rmsd < 1.801) and (attr rmsd > 1.701)) and bondedto(attr rmsd < 27.598 and attr rmsd > 26.598)) ( attr rmsd < 2.340 and attr rmsd > 2.240) 6 6 0 peak 24884 ppm1 1.751 ppm2 2.290 volume 0.1021 assi ((( attr rmsd < 1.670) and (attr rmsd > 1.570)) and bondedto(attr rmsd < 75.118 and attr rmsd > 74.118)) ( attr rmsd < 2.315 and attr rmsd > 2.215) 6 6 0 peak 14885 ppm1 1.620 ppm2 2.265 volume 0.1121 assi ((( attr rmsd < 1.670) and (attr rmsd > 1.570)) and bondedto(attr rmsd < 27.598 and attr rmsd > 26.598)) ( attr rmsd < 2.315 and attr rmsd > 2.215) 6 6 0 peak 24885 ppm1 1.620 ppm2 2.265 volume 0.1121 assi ((( attr rmsd < 1.409) and (attr rmsd > 1.309)) and bondedto(attr rmsd < 75.679 and attr rmsd > 74.679)) ( attr rmsd < 2.478 and attr rmsd > 2.378) 6 6 0 peak 14886 ppm1 1.359 ppm2 2.428 volume 0.0858 assi ((( attr rmsd < 1.409) and (attr rmsd > 1.309)) and bondedto(attr rmsd < 28.159 and attr rmsd > 27.159)) ( attr rmsd < 2.478 and attr rmsd > 2.378) 6 6 0 peak 24886 ppm1 1.359 ppm2 2.428 volume 0.0858 assi ((( attr rmsd < 1.394) and (attr rmsd > 1.294)) and bondedto(attr rmsd < 75.679 and attr rmsd > 74.679)) ( attr rmsd < 3.050 and attr rmsd > 2.950) 6 6 0 peak 14887 ppm1 1.344 ppm2 3.000 volume 0.0719 assi ((( attr rmsd < 1.394) and (attr rmsd > 1.294)) and bondedto(attr rmsd < 28.159 and attr rmsd > 27.159)) ( attr rmsd < 3.050 and attr rmsd > 2.950) 6 6 0 peak 24887 ppm1 1.344 ppm2 3.000 volume 0.0719 assi ((( attr rmsd < 4.036) and (attr rmsd > 3.936)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 2.788 and attr rmsd > 2.688) 6 6 0 peak 4888 ppm1 3.986 ppm2 2.738 volume 0.1016 assi ((( attr rmsd < 4.032) and (attr rmsd > 3.932)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 2.945 and attr rmsd > 2.845) 6 6 0 peak 4889 ppm1 3.982 ppm2 2.895 volume 0.1078 assi ((( attr rmsd < 3.858) and (attr rmsd > 3.758)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 2.941 and attr rmsd > 2.841) 6 6 0 peak 4890 ppm1 3.808 ppm2 2.891 volume 0.1119 assi ((( attr rmsd < 3.866) and (attr rmsd > 3.766)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 2.788 and attr rmsd > 2.688) 6 6 0 peak 4891 ppm1 3.816 ppm2 2.738 volume 0.1101 assi ((( attr rmsd < 1.535) and (attr rmsd > 1.435)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 4.812 and attr rmsd > 4.712) 6 6 0 peak 14892 ppm1 1.485 ppm2 4.762 volume 0.2084 assi ((( attr rmsd < 1.535) and (attr rmsd > 1.435)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 4.812 and attr rmsd > 4.712) 6 6 0 peak 24892 ppm1 1.485 ppm2 4.762 volume 0.2084 assi ((( attr rmsd < 1.909) and (attr rmsd > 1.809)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 14893 ppm1 1.859 ppm2 4.484 volume 0.0876 assi ((( attr rmsd < 1.909) and (attr rmsd > 1.809)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 4.534 and attr rmsd > 4.434) 6 6 0 peak 24893 ppm1 1.859 ppm2 4.484 volume 0.0876 assi ((( attr rmsd < 1.811) and (attr rmsd > 1.711)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 4.155 and attr rmsd > 4.055) 6 6 0 peak 14894 ppm1 1.761 ppm2 4.105 volume 0.0772 assi ((( attr rmsd < 1.811) and (attr rmsd > 1.711)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 4.155 and attr rmsd > 4.055) 6 6 0 peak 24894 ppm1 1.761 ppm2 4.105 volume 0.0772 assi ((( attr rmsd < 0.955) and (attr rmsd > 0.855)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 2.790 and attr rmsd > 2.690) 6 6 0 peak 14895 ppm1 0.905 ppm2 2.740 volume 0.0877 assi ((( attr rmsd < 0.955) and (attr rmsd > 0.855)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 2.790 and attr rmsd > 2.690) 6 6 0 peak 24895 ppm1 0.905 ppm2 2.740 volume 0.0877 assi ((( attr rmsd < 0.944) and (attr rmsd > 0.844)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 2.274 and attr rmsd > 2.174) 6 6 0 peak 14896 ppm1 0.894 ppm2 2.224 volume 0.0894 assi ((( attr rmsd < 0.944) and (attr rmsd > 0.844)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 2.274 and attr rmsd > 2.174) 6 6 0 peak 24896 ppm1 0.894 ppm2 2.224 volume 0.0894 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 1.538 and attr rmsd > 1.438) 6 6 0 peak 14897 ppm1 0.661 ppm2 1.488 volume 0.1235 assi ((( attr rmsd < 0.711) and (attr rmsd > 0.611)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 1.538 and attr rmsd > 1.438) 6 6 0 peak 24897 ppm1 0.661 ppm2 1.488 volume 0.1235 assi ((( attr rmsd < 0.721) and (attr rmsd > 0.621)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 1.000 and attr rmsd > 0.900) 6 6 0 peak 14898 ppm1 0.671 ppm2 0.950 volume 0.0911 assi ((( attr rmsd < 0.721) and (attr rmsd > 0.621)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 1.000 and attr rmsd > 0.900) 6 6 0 peak 24898 ppm1 0.671 ppm2 0.950 volume 0.0911 assi ((( attr rmsd < 4.000) and (attr rmsd > 3.900)) and bondedto(attr rmsd < 50.422 and attr rmsd > 49.422)) ( attr rmsd < 2.536 and attr rmsd > 2.436) 6 6 0 peak 4899 ppm1 3.950 ppm2 2.486 volume 0.1004 assi ((( attr rmsd < 3.938) and (attr rmsd > 3.838)) and bondedto(attr rmsd < 50.422 and attr rmsd > 49.422)) ( attr rmsd < 2.534 and attr rmsd > 2.434) 6 6 0 peak 4900 ppm1 3.888 ppm2 2.484 volume 0.1147 assi ((( attr rmsd < 3.739) and (attr rmsd > 3.639)) and bondedto(attr rmsd < 50.609 and attr rmsd > 49.609)) ( attr rmsd < 3.026 and attr rmsd > 2.926) 6 6 0 peak 4901 ppm1 3.689 ppm2 2.976 volume 0.1439 assi ((( attr rmsd < 3.639) and (attr rmsd > 3.539)) and bondedto(attr rmsd < 50.609 and attr rmsd > 49.609)) ( attr rmsd < 3.023 and attr rmsd > 2.923) 6 6 0 peak 4902 ppm1 3.589 ppm2 2.973 volume 0.1231 assi ((( attr rmsd < 3.743) and (attr rmsd > 3.643)) and bondedto(attr rmsd < 50.609 and attr rmsd > 49.609)) ( attr rmsd < 4.152 and attr rmsd > 4.052) 6 6 0 peak 4903 ppm1 3.693 ppm2 4.102 volume 0.0603 assi ((( attr rmsd < 3.636) and (attr rmsd > 3.536)) and bondedto(attr rmsd < 50.609 and attr rmsd > 49.609)) ( attr rmsd < 4.156 and attr rmsd > 4.056) 6 6 0 peak 4904 ppm1 3.586 ppm2 4.106 volume 0.1182 assi ((( attr rmsd < 2.170) and (attr rmsd > 2.070)) and bondedto(attr rmsd < 51.170 and attr rmsd > 50.170)) ( attr rmsd < 2.521 and attr rmsd > 2.421) 6 6 0 peak 4905 ppm1 2.120 ppm2 2.471 volume 0.1162 assi ((( attr rmsd < 1.009) and (attr rmsd > 0.909)) and bondedto(attr rmsd < 74.743 and attr rmsd > 73.743)) ( attr rmsd < 4.630 and attr rmsd > 4.530) 6 6 0 peak 14906 ppm1 0.959 ppm2 4.580 volume 0.0719 assi ((( attr rmsd < 1.009) and (attr rmsd > 0.909)) and bondedto(attr rmsd < 27.223 and attr rmsd > 26.223)) ( attr rmsd < 4.630 and attr rmsd > 4.530) 6 6 0 peak 24906 ppm1 0.959 ppm2 4.580 volume 0.0719 assi ((( attr rmsd < 0.950) and (attr rmsd > 0.850)) and bondedto(attr rmsd < 73.247 and attr rmsd > 72.247)) ( attr rmsd < 3.171 and attr rmsd > 3.071) 6 6 0 peak 14907 ppm1 0.900 ppm2 3.121 volume 0.0902 assi ((( attr rmsd < 0.950) and (attr rmsd > 0.850)) and bondedto(attr rmsd < 25.727 and attr rmsd > 24.727)) ( attr rmsd < 3.171 and attr rmsd > 3.071) 6 6 0 peak 24907 ppm1 0.900 ppm2 3.121 volume 0.0902 assi ((( attr rmsd < 1.895) and (attr rmsd > 1.795)) and bondedto(attr rmsd < 73.060 and attr rmsd > 72.060)) ( attr rmsd < 3.661 and attr rmsd > 3.561) 6 6 0 peak 14908 ppm1 1.845 ppm2 3.611 volume 0.0764 assi ((( attr rmsd < 1.895) and (attr rmsd > 1.795)) and bondedto(attr rmsd < 25.540 and attr rmsd > 24.540)) ( attr rmsd < 3.661 and attr rmsd > 3.561) 6 6 0 peak 24908 ppm1 1.845 ppm2 3.611 volume 0.0764 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 72.498 and attr rmsd > 71.498)) ( attr rmsd < 3.772 and attr rmsd > 3.672) 6 6 0 peak 14909 ppm1 4.836 ppm2 3.722 volume 0.0836 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 24.978 and attr rmsd > 23.978)) ( attr rmsd < 3.772 and attr rmsd > 3.672) 6 6 0 peak 24909 ppm1 4.836 ppm2 3.722 volume 0.0836 assi ((( attr rmsd < 4.754) and (attr rmsd > 4.654)) and bondedto(attr rmsd < 72.498 and attr rmsd > 71.498)) ( attr rmsd < 3.772 and attr rmsd > 3.672) 6 6 0 peak 14910 ppm1 4.704 ppm2 3.722 volume 0.0912 assi ((( attr rmsd < 4.754) and (attr rmsd > 4.654)) and bondedto(attr rmsd < 24.978 and attr rmsd > 23.978)) ( attr rmsd < 3.772 and attr rmsd > 3.672) 6 6 0 peak 24910 ppm1 4.704 ppm2 3.722 volume 0.0912 assi ((( attr rmsd < 1.429) and (attr rmsd > 1.329)) and bondedto(attr rmsd < 73.060 and attr rmsd > 72.060)) ( attr rmsd < 3.012 and attr rmsd > 2.912) 6 6 0 peak 14911 ppm1 1.379 ppm2 2.962 volume 0.1902 assi ((( attr rmsd < 1.429) and (attr rmsd > 1.329)) and bondedto(attr rmsd < 25.540 and attr rmsd > 24.540)) ( attr rmsd < 3.012 and attr rmsd > 2.912) 6 6 0 peak 24911 ppm1 1.379 ppm2 2.962 volume 0.1902 assi ((( attr rmsd < 0.902) and (attr rmsd > 0.802)) and bondedto(attr rmsd < 71.937 and attr rmsd > 70.937)) ( attr rmsd < 3.077 and attr rmsd > 2.977) 6 6 0 peak 14912 ppm1 0.852 ppm2 3.027 volume 0.0797 assi ((( attr rmsd < 0.902) and (attr rmsd > 0.802)) and bondedto(attr rmsd < 24.417 and attr rmsd > 23.417)) ( attr rmsd < 3.077 and attr rmsd > 2.977) 6 6 0 peak 24912 ppm1 0.852 ppm2 3.027 volume 0.0797 assi ((( attr rmsd < 0.944) and (attr rmsd > 0.844)) and bondedto(attr rmsd < 71.937 and attr rmsd > 70.937)) ( attr rmsd < 3.486 and attr rmsd > 3.386) 6 6 0 peak 14913 ppm1 0.894 ppm2 3.436 volume 0.0999 assi ((( attr rmsd < 0.944) and (attr rmsd > 0.844)) and bondedto(attr rmsd < 24.417 and attr rmsd > 23.417)) ( attr rmsd < 3.486 and attr rmsd > 3.386) 6 6 0 peak 24913 ppm1 0.894 ppm2 3.436 volume 0.0999 assi ((( attr rmsd < 0.840) and (attr rmsd > 0.740)) and bondedto(attr rmsd < 71.563 and attr rmsd > 70.563)) ( attr rmsd < 4.221 and attr rmsd > 4.121) 6 6 0 peak 14914 ppm1 0.790 ppm2 4.171 volume 0.1112 assi ((( attr rmsd < 0.840) and (attr rmsd > 0.740)) and bondedto(attr rmsd < 24.043 and attr rmsd > 23.043)) ( attr rmsd < 4.221 and attr rmsd > 4.121) 6 6 0 peak 24914 ppm1 0.790 ppm2 4.171 volume 0.1112 assi ((( attr rmsd < 1.163) and (attr rmsd > 1.063)) and bondedto(attr rmsd < 71.750 and attr rmsd > 70.750)) ( attr rmsd < 4.167 and attr rmsd > 4.067) 6 6 0 peak 14915 ppm1 1.113 ppm2 4.117 volume 0.1124 assi ((( attr rmsd < 1.163) and (attr rmsd > 1.063)) and bondedto(attr rmsd < 24.230 and attr rmsd > 23.230)) ( attr rmsd < 4.167 and attr rmsd > 4.067) 6 6 0 peak 24915 ppm1 1.113 ppm2 4.117 volume 0.1124 assi ((( attr rmsd < 0.830) and (attr rmsd > 0.730)) and bondedto(attr rmsd < 71.563 and attr rmsd > 70.563)) ( attr rmsd < 2.374 and attr rmsd > 2.274) 6 6 0 peak 14916 ppm1 0.780 ppm2 2.324 volume 0.1270 assi ((( attr rmsd < 0.830) and (attr rmsd > 0.730)) and bondedto(attr rmsd < 24.043 and attr rmsd > 23.043)) ( attr rmsd < 2.374 and attr rmsd > 2.274) 6 6 0 peak 24916 ppm1 0.780 ppm2 2.324 volume 0.1270 assi ((( attr rmsd < 0.837) and (attr rmsd > 0.737)) and bondedto(attr rmsd < 71.563 and attr rmsd > 70.563)) ( attr rmsd < 2.186 and attr rmsd > 2.086) 6 6 0 peak 14917 ppm1 0.787 ppm2 2.136 volume 0.0716 assi ((( attr rmsd < 0.837) and (attr rmsd > 0.737)) and bondedto(attr rmsd < 24.043 and attr rmsd > 23.043)) ( attr rmsd < 2.186 and attr rmsd > 2.086) 6 6 0 peak 24917 ppm1 0.787 ppm2 2.136 volume 0.0716 assi ((( attr rmsd < 0.843) and (attr rmsd > 0.743)) and bondedto(attr rmsd < 71.563 and attr rmsd > 70.563)) ( attr rmsd < 1.396 and attr rmsd > 1.296) 6 6 0 peak 14918 ppm1 0.793 ppm2 1.346 volume 0.1491 assi ((( attr rmsd < 0.843) and (attr rmsd > 0.743)) and bondedto(attr rmsd < 24.043 and attr rmsd > 23.043)) ( attr rmsd < 1.396 and attr rmsd > 1.296) 6 6 0 peak 24918 ppm1 0.793 ppm2 1.346 volume 0.1491 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 71.563 and attr rmsd > 70.563)) ( attr rmsd < 0.559 and attr rmsd > 0.459) 6 6 0 peak 14919 ppm1 1.202 ppm2 0.509 volume 0.0989 assi ((( attr rmsd < 1.252) and (attr rmsd > 1.152)) and bondedto(attr rmsd < 24.043 and attr rmsd > 23.043)) ( attr rmsd < 0.559 and attr rmsd > 0.459) 6 6 0 peak 24919 ppm1 1.202 ppm2 0.509 volume 0.0989 assi ((( attr rmsd < 1.798) and (attr rmsd > 1.698)) and bondedto(attr rmsd < 71.563 and attr rmsd > 70.563)) ( attr rmsd < 0.816 and attr rmsd > 0.716) 6 6 0 peak 14920 ppm1 1.748 ppm2 0.766 volume 0.0899 assi ((( attr rmsd < 1.798) and (attr rmsd > 1.698)) and bondedto(attr rmsd < 24.043 and attr rmsd > 23.043)) ( attr rmsd < 0.816 and attr rmsd > 0.716) 6 6 0 peak 24920 ppm1 1.748 ppm2 0.766 volume 0.0899 assi ((( attr rmsd < 0.557) and (attr rmsd > 0.457)) and bondedto(attr rmsd < 70.253 and attr rmsd > 69.253)) ( attr rmsd < 2.959 and attr rmsd > 2.859) 6 6 0 peak 14921 ppm1 0.507 ppm2 2.909 volume 0.0958 assi ((( attr rmsd < 0.557) and (attr rmsd > 0.457)) and bondedto(attr rmsd < 22.733 and attr rmsd > 21.733)) ( attr rmsd < 2.959 and attr rmsd > 2.859) 6 6 0 peak 24921 ppm1 0.507 ppm2 2.909 volume 0.0958 assi ((( attr rmsd < 1.232) and (attr rmsd > 1.132)) and bondedto(attr rmsd < 69.879 and attr rmsd > 68.879)) ( attr rmsd < 2.536 and attr rmsd > 2.436) 6 6 0 peak 14922 ppm1 1.182 ppm2 2.486 volume 0.1119 assi ((( attr rmsd < 1.232) and (attr rmsd > 1.132)) and bondedto(attr rmsd < 22.359 and attr rmsd > 21.359)) ( attr rmsd < 2.536 and attr rmsd > 2.436) 6 6 0 peak 24922 ppm1 1.182 ppm2 2.486 volume 0.1119 assi ((( attr rmsd < 4.244) and (attr rmsd > 4.144)) and bondedto(attr rmsd < 69.131 and attr rmsd > 68.131)) ( attr rmsd < 0.556 and attr rmsd > 0.456) 6 6 0 peak 14923 ppm1 4.194 ppm2 0.506 volume 0.1438 assi ((( attr rmsd < 4.244) and (attr rmsd > 4.144)) and bondedto(attr rmsd < 21.611 and attr rmsd > 20.611)) ( attr rmsd < 0.556 and attr rmsd > 0.456) 6 6 0 peak 24923 ppm1 4.194 ppm2 0.506 volume 0.1438 assi ((( attr rmsd < 4.254) and (attr rmsd > 4.154)) and bondedto(attr rmsd < 69.131 and attr rmsd > 68.131)) ( attr rmsd < 1.482 and attr rmsd > 1.382) 6 6 0 peak 14924 ppm1 4.204 ppm2 1.432 volume 0.0868 assi ((( attr rmsd < 4.254) and (attr rmsd > 4.154)) and bondedto(attr rmsd < 21.611 and attr rmsd > 20.611)) ( attr rmsd < 1.482 and attr rmsd > 1.382) 6 6 0 peak 24924 ppm1 4.204 ppm2 1.432 volume 0.0868 assi ((( attr rmsd < 4.244) and (attr rmsd > 4.144)) and bondedto(attr rmsd < 69.131 and attr rmsd > 68.131)) ( attr rmsd < 1.769 and attr rmsd > 1.669) 6 6 0 peak 14925 ppm1 4.194 ppm2 1.719 volume 0.0702 assi ((( attr rmsd < 4.244) and (attr rmsd > 4.144)) and bondedto(attr rmsd < 21.611 and attr rmsd > 20.611)) ( attr rmsd < 1.769 and attr rmsd > 1.669) 6 6 0 peak 24925 ppm1 4.194 ppm2 1.719 volume 0.0702 assi ((( attr rmsd < 0.892) and (attr rmsd > 0.792)) and bondedto(attr rmsd < 69.505 and attr rmsd > 68.505)) ( attr rmsd < 3.151 and attr rmsd > 3.051) 6 6 0 peak 14926 ppm1 0.842 ppm2 3.101 volume 0.0884 assi ((( attr rmsd < 0.892) and (attr rmsd > 0.792)) and bondedto(attr rmsd < 21.985 and attr rmsd > 20.985)) ( attr rmsd < 3.151 and attr rmsd > 3.051) 6 6 0 peak 24926 ppm1 0.842 ppm2 3.101 volume 0.0884 assi ((( attr rmsd < 1.226) and (attr rmsd > 1.126)) and bondedto(attr rmsd < 69.505 and attr rmsd > 68.505)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 14927 ppm1 1.176 ppm2 3.016 volume 0.0663 assi ((( attr rmsd < 1.226) and (attr rmsd > 1.126)) and bondedto(attr rmsd < 21.985 and attr rmsd > 20.985)) ( attr rmsd < 3.066 and attr rmsd > 2.966) 6 6 0 peak 24927 ppm1 1.176 ppm2 3.016 volume 0.0663 assi ((( attr rmsd < 1.229) and (attr rmsd > 1.129)) and bondedto(attr rmsd < 69.505 and attr rmsd > 68.505)) ( attr rmsd < 2.550 and attr rmsd > 2.450) 6 6 0 peak 14928 ppm1 1.179 ppm2 2.500 volume 0.0711 assi ((( attr rmsd < 1.229) and (attr rmsd > 1.129)) and bondedto(attr rmsd < 21.985 and attr rmsd > 20.985)) ( attr rmsd < 2.550 and attr rmsd > 2.450) 6 6 0 peak 24928 ppm1 1.179 ppm2 2.500 volume 0.0711 assi ((( attr rmsd < 1.244) and (attr rmsd > 1.144)) and bondedto(attr rmsd < 69.505 and attr rmsd > 68.505)) ( attr rmsd < 2.066 and attr rmsd > 1.966) 6 6 0 peak 14929 ppm1 1.194 ppm2 2.016 volume 0.0762 assi ((( attr rmsd < 1.244) and (attr rmsd > 1.144)) and bondedto(attr rmsd < 21.985 and attr rmsd > 20.985)) ( attr rmsd < 2.066 and attr rmsd > 1.966) 6 6 0 peak 24929 ppm1 1.194 ppm2 2.016 volume 0.0762 assi ((( attr rmsd < 1.171) and (attr rmsd > 1.071)) and bondedto(attr rmsd < 69.505 and attr rmsd > 68.505)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 14930 ppm1 1.121 ppm2 4.934 volume 0.0748 assi ((( attr rmsd < 1.171) and (attr rmsd > 1.071)) and bondedto(attr rmsd < 21.985 and attr rmsd > 20.985)) ( attr rmsd < 4.984 and attr rmsd > 4.884) 6 6 0 peak 24930 ppm1 1.121 ppm2 4.934 volume 0.0748 assi ((( attr rmsd < 1.222) and (attr rmsd > 1.122)) and bondedto(attr rmsd < 69.505 and attr rmsd > 68.505)) ( attr rmsd < 5.052 and attr rmsd > 4.952) 6 6 0 peak 14931 ppm1 1.172 ppm2 5.002 volume 0.0868 assi ((( attr rmsd < 1.222) and (attr rmsd > 1.122)) and bondedto(attr rmsd < 21.985 and attr rmsd > 20.985)) ( attr rmsd < 5.052 and attr rmsd > 4.952) 6 6 0 peak 24931 ppm1 1.172 ppm2 5.002 volume 0.0868 assi ((( attr rmsd < 0.634) and (attr rmsd > 0.534)) and bondedto(attr rmsd < 69.879 and attr rmsd > 68.879)) ( attr rmsd < 4.587 and attr rmsd > 4.487) 6 6 0 peak 14932 ppm1 0.584 ppm2 4.537 volume 0.1263 assi ((( attr rmsd < 0.634) and (attr rmsd > 0.534)) and bondedto(attr rmsd < 22.359 and attr rmsd > 21.359)) ( attr rmsd < 4.587 and attr rmsd > 4.487) 6 6 0 peak 24932 ppm1 0.584 ppm2 4.537 volume 0.1263 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 70.440 and attr rmsd > 69.440)) ( attr rmsd < 4.266 and attr rmsd > 4.166) 6 6 0 peak 14933 ppm1 0.647 ppm2 4.216 volume 0.0808 assi ((( attr rmsd < 0.697) and (attr rmsd > 0.597)) and bondedto(attr rmsd < 22.920 and attr rmsd > 21.920)) ( attr rmsd < 4.266 and attr rmsd > 4.166) 6 6 0 peak 24933 ppm1 0.647 ppm2 4.216 volume 0.0808 assi ((( attr rmsd < 0.708) and (attr rmsd > 0.608)) and bondedto(attr rmsd < 69.318 and attr rmsd > 68.318)) ( attr rmsd < 2.036 and attr rmsd > 1.936) 6 6 0 peak 14934 ppm1 0.658 ppm2 1.986 volume 0.1089 assi ((( attr rmsd < 0.708) and (attr rmsd > 0.608)) and bondedto(attr rmsd < 21.798 and attr rmsd > 20.798)) ( attr rmsd < 2.036 and attr rmsd > 1.936) 6 6 0 peak 24934 ppm1 0.658 ppm2 1.986 volume 0.1089 assi ((( attr rmsd < 0.713) and (attr rmsd > 0.613)) and bondedto(attr rmsd < 69.318 and attr rmsd > 68.318)) ( attr rmsd < 3.490 and attr rmsd > 3.390) 6 6 0 peak 14935 ppm1 0.663 ppm2 3.440 volume 0.0697 assi ((( attr rmsd < 0.713) and (attr rmsd > 0.613)) and bondedto(attr rmsd < 21.798 and attr rmsd > 20.798)) ( attr rmsd < 3.490 and attr rmsd > 3.390) 6 6 0 peak 24935 ppm1 0.663 ppm2 3.440 volume 0.0697 assi ((( attr rmsd < 0.771) and (attr rmsd > 0.671)) and bondedto(attr rmsd < 70.066 and attr rmsd > 69.066)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 14936 ppm1 0.721 ppm2 3.664 volume 0.1151 assi ((( attr rmsd < 0.771) and (attr rmsd > 0.671)) and bondedto(attr rmsd < 22.546 and attr rmsd > 21.546)) ( attr rmsd < 3.714 and attr rmsd > 3.614) 6 6 0 peak 24936 ppm1 0.721 ppm2 3.664 volume 0.1151 assi ((( attr rmsd < 0.772) and (attr rmsd > 0.672)) and bondedto(attr rmsd < 45.371 and attr rmsd > 44.371)) ( attr rmsd < 2.341 and attr rmsd > 2.241) 6 6 0 peak 4937 ppm1 0.722 ppm2 2.291 volume 0.1073 assi ((( attr rmsd < 1.028) and (attr rmsd > 0.928)) and bondedto(attr rmsd < 68.944 and attr rmsd > 67.944)) ( attr rmsd < 2.326 and attr rmsd > 2.226) 6 6 0 peak 14938 ppm1 0.978 ppm2 2.276 volume 0.0789 assi ((( attr rmsd < 1.028) and (attr rmsd > 0.928)) and bondedto(attr rmsd < 21.424 and attr rmsd > 20.424)) ( attr rmsd < 2.326 and attr rmsd > 2.226) 6 6 0 peak 24938 ppm1 0.978 ppm2 2.276 volume 0.0789 assi ((( attr rmsd < 4.683) and (attr rmsd > 4.583)) and bondedto(attr rmsd < 68.383 and attr rmsd > 67.383)) ( attr rmsd < 3.285 and attr rmsd > 3.185) 6 6 0 peak 14939 ppm1 4.633 ppm2 3.235 volume 0.0929 assi ((( attr rmsd < 4.683) and (attr rmsd > 4.583)) and bondedto(attr rmsd < 20.863 and attr rmsd > 19.863)) ( attr rmsd < 3.285 and attr rmsd > 3.185) 6 6 0 peak 24939 ppm1 4.633 ppm2 3.235 volume 0.0929 assi ((( attr rmsd < 5.964) and (attr rmsd > 5.864)) and bondedto(attr rmsd < 68.008 and attr rmsd > 67.008)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 14940 ppm1 5.914 ppm2 3.867 volume 0.1635 assi ((( attr rmsd < 5.964) and (attr rmsd > 5.864)) and bondedto(attr rmsd < 20.488 and attr rmsd > 19.488)) ( attr rmsd < 3.917 and attr rmsd > 3.817) 6 6 0 peak 24940 ppm1 5.914 ppm2 3.867 volume 0.1635 assi ((( attr rmsd < 5.586) and (attr rmsd > 5.486)) and bondedto(attr rmsd < 68.008 and attr rmsd > 67.008)) ( attr rmsd < 3.922 and attr rmsd > 3.822) 6 6 0 peak 14941 ppm1 5.536 ppm2 3.872 volume 0.0798 assi ((( attr rmsd < 5.586) and (attr rmsd > 5.486)) and bondedto(attr rmsd < 20.488 and attr rmsd > 19.488)) ( attr rmsd < 3.922 and attr rmsd > 3.822) 6 6 0 peak 24941 ppm1 5.536 ppm2 3.872 volume 0.0798 assi ((( attr rmsd < 2.927) and (attr rmsd > 2.827)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 4.022 and attr rmsd > 3.922) 6 6 0 peak 4942 ppm1 2.877 ppm2 3.972 volume 0.0775 assi ((( attr rmsd < 2.940) and (attr rmsd > 2.840)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 3.866 and attr rmsd > 3.766) 6 6 0 peak 4943 ppm1 2.890 ppm2 3.816 volume 0.1034 assi ((( attr rmsd < 2.791) and (attr rmsd > 2.691)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 3.862 and attr rmsd > 3.762) 6 6 0 peak 4944 ppm1 2.741 ppm2 3.812 volume 0.0644 assi ((( attr rmsd < 2.786) and (attr rmsd > 2.686)) and bondedto(attr rmsd < 43.687 and attr rmsd > 42.687)) ( attr rmsd < 4.029 and attr rmsd > 3.929) 6 6 0 peak 4945 ppm1 2.736 ppm2 3.979 volume 0.0722 assi ((( attr rmsd < 0.410) and (attr rmsd > 0.310)) and bondedto(attr rmsd < 68.195 and attr rmsd > 67.195)) ( attr rmsd < 2.978 and attr rmsd > 2.878) 6 6 0 peak 14946 ppm1 0.360 ppm2 2.928 volume 0.0907 assi ((( attr rmsd < 0.410) and (attr rmsd > 0.310)) and bondedto(attr rmsd < 20.675 and attr rmsd > 19.675)) ( attr rmsd < 2.978 and attr rmsd > 2.878) 6 6 0 peak 24946 ppm1 0.360 ppm2 2.928 volume 0.0907 assi ((( attr rmsd < 0.423) and (attr rmsd > 0.323)) and bondedto(attr rmsd < 68.195 and attr rmsd > 67.195)) ( attr rmsd < 2.772 and attr rmsd > 2.672) 6 6 0 peak 14947 ppm1 0.373 ppm2 2.722 volume 0.1162 assi ((( attr rmsd < 0.423) and (attr rmsd > 0.323)) and bondedto(attr rmsd < 20.675 and attr rmsd > 19.675)) ( attr rmsd < 2.772 and attr rmsd > 2.672) 6 6 0 peak 24947 ppm1 0.373 ppm2 2.722 volume 0.1162 assi ((( attr rmsd < 1.336) and (attr rmsd > 1.236)) and bondedto(attr rmsd < 68.383 and attr rmsd > 67.383)) ( attr rmsd < 4.215 and attr rmsd > 4.115) 6 6 0 peak 14948 ppm1 1.286 ppm2 4.165 volume 0.0870 assi ((( attr rmsd < 1.336) and (attr rmsd > 1.236)) and bondedto(attr rmsd < 20.863 and attr rmsd > 19.863)) ( attr rmsd < 4.215 and attr rmsd > 4.115) 6 6 0 peak 24948 ppm1 1.286 ppm2 4.165 volume 0.0870 assi ((( attr rmsd < 1.353) and (attr rmsd > 1.253)) and bondedto(attr rmsd < 68.383 and attr rmsd > 67.383)) ( attr rmsd < 2.009 and attr rmsd > 1.909) 6 6 0 peak 14949 ppm1 1.303 ppm2 1.959 volume 0.0684 assi ((( attr rmsd < 1.353) and (attr rmsd > 1.253)) and bondedto(attr rmsd < 20.863 and attr rmsd > 19.863)) ( attr rmsd < 2.009 and attr rmsd > 1.909) 6 6 0 peak 24949 ppm1 1.303 ppm2 1.959 volume 0.0684 assi ((( attr rmsd < 0.416) and (attr rmsd > 0.316)) and bondedto(attr rmsd < 43.500 and attr rmsd > 42.500)) ( attr rmsd < 1.799 and attr rmsd > 1.699) 6 6 0 peak 4950 ppm1 0.366 ppm2 1.749 volume 0.1094 assi ((( attr rmsd < 0.799) and (attr rmsd > 0.699)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 2.796 and attr rmsd > 2.696) 6 6 0 peak 14951 ppm1 0.749 ppm2 2.746 volume 0.0639 assi ((( attr rmsd < 0.799) and (attr rmsd > 0.699)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 2.796 and attr rmsd > 2.696) 6 6 0 peak 24951 ppm1 0.749 ppm2 2.746 volume 0.0639 assi ((( attr rmsd < 0.802) and (attr rmsd > 0.702)) and bondedto(attr rmsd < 66.699 and attr rmsd > 65.699)) ( attr rmsd < 2.978 and attr rmsd > 2.878) 6 6 0 peak 14952 ppm1 0.752 ppm2 2.928 volume 0.2503 assi ((( attr rmsd < 0.802) and (attr rmsd > 0.702)) and bondedto(attr rmsd < 19.179 and attr rmsd > 18.179)) ( attr rmsd < 2.978 and attr rmsd > 2.878) 6 6 0 peak 24952 ppm1 0.752 ppm2 2.928 volume 0.2503 assi ((( attr rmsd < 0.902) and (attr rmsd > 0.802)) and bondedto(attr rmsd < 66.325 and attr rmsd > 65.325)) ( attr rmsd < 1.511 and attr rmsd > 1.411) 6 6 0 peak 14953 ppm1 0.852 ppm2 1.461 volume 0.3702 assi ((( attr rmsd < 0.902) and (attr rmsd > 0.802)) and bondedto(attr rmsd < 18.805 and attr rmsd > 17.805)) ( attr rmsd < 1.511 and attr rmsd > 1.411) 6 6 0 peak 24953 ppm1 0.852 ppm2 1.461 volume 0.3702 assi ((( attr rmsd < 0.901) and (attr rmsd > 0.801)) and bondedto(attr rmsd < 66.325 and attr rmsd > 65.325)) ( attr rmsd < 1.780 and attr rmsd > 1.680) 6 6 0 peak 14954 ppm1 0.851 ppm2 1.730 volume 0.1832 assi ((( attr rmsd < 0.901) and (attr rmsd > 0.801)) and bondedto(attr rmsd < 18.805 and attr rmsd > 17.805)) ( attr rmsd < 1.780 and attr rmsd > 1.680) 6 6 0 peak 24954 ppm1 0.851 ppm2 1.730 volume 0.1832 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 66.325 and attr rmsd > 65.325)) ( attr rmsd < 3.887 and attr rmsd > 3.787) 6 6 0 peak 14955 ppm1 0.849 ppm2 3.837 volume 0.1067 assi ((( attr rmsd < 0.899) and (attr rmsd > 0.799)) and bondedto(attr rmsd < 18.805 and attr rmsd > 17.805)) ( attr rmsd < 3.887 and attr rmsd > 3.787) 6 6 0 peak 24955 ppm1 0.849 ppm2 3.837 volume 0.1067 assi ((( attr rmsd < 1.817) and (attr rmsd > 1.717)) and bondedto(attr rmsd < 66.512 and attr rmsd > 65.512)) ( attr rmsd < 3.605 and attr rmsd > 3.505) 6 6 0 peak 14956 ppm1 1.767 ppm2 3.555 volume 0.0915 assi ((( attr rmsd < 1.817) and (attr rmsd > 1.717)) and bondedto(attr rmsd < 18.992 and attr rmsd > 17.992)) ( attr rmsd < 3.605 and attr rmsd > 3.505) 6 6 0 peak 24956 ppm1 1.767 ppm2 3.555 volume 0.0915 assi ((( attr rmsd < 1.146) and (attr rmsd > 1.046)) and bondedto(attr rmsd < 66.512 and attr rmsd > 65.512)) ( attr rmsd < 1.587 and attr rmsd > 1.487) 6 6 0 peak 14957 ppm1 1.096 ppm2 1.537 volume 0.1156 assi ((( attr rmsd < 1.146) and (attr rmsd > 1.046)) and bondedto(attr rmsd < 18.992 and attr rmsd > 17.992)) ( attr rmsd < 1.587 and attr rmsd > 1.487) 6 6 0 peak 24957 ppm1 1.096 ppm2 1.537 volume 0.1156 assi ((( attr rmsd < 3.586) and (attr rmsd > 3.486)) and bondedto(attr rmsd < 66.512 and attr rmsd > 65.512)) ( attr rmsd < 2.513 and attr rmsd > 2.413) 6 6 0 peak 14958 ppm1 3.536 ppm2 2.463 volume 0.0834 assi ((( attr rmsd < 3.586) and (attr rmsd > 3.486)) and bondedto(attr rmsd < 18.992 and attr rmsd > 17.992)) ( attr rmsd < 2.513 and attr rmsd > 2.413) 6 6 0 peak 24958 ppm1 3.536 ppm2 2.463 volume 0.0834 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 66.137 and attr rmsd > 65.137)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 14959 ppm1 4.836 ppm2 2.017 volume 0.0735 assi ((( attr rmsd < 4.886) and (attr rmsd > 4.786)) and bondedto(attr rmsd < 18.617 and attr rmsd > 17.617)) ( attr rmsd < 2.067 and attr rmsd > 1.967) 6 6 0 peak 24959 ppm1 4.836 ppm2 2.017 volume 0.0735 assi ((( attr rmsd < 4.758) and (attr rmsd > 4.658)) and bondedto(attr rmsd < 66.137 and attr rmsd > 65.137)) ( attr rmsd < 2.051 and attr rmsd > 1.951) 6 6 0 peak 14960 ppm1 4.708 ppm2 2.001 volume 0.0886 assi ((( attr rmsd < 4.758) and (attr rmsd > 4.658)) and bondedto(attr rmsd < 18.617 and attr rmsd > 17.617)) ( attr rmsd < 2.051 and attr rmsd > 1.951) 6 6 0 peak 24960 ppm1 4.708 ppm2 2.001 volume 0.0886 assi ((( attr rmsd < 3.624) and (attr rmsd > 3.524)) and bondedto(attr rmsd < 65.950 and attr rmsd > 64.950)) ( attr rmsd < 4.204 and attr rmsd > 4.104) 6 6 0 peak 14961 ppm1 3.574 ppm2 4.154 volume 0.0899 assi ((( attr rmsd < 3.624) and (attr rmsd > 3.524)) and bondedto(attr rmsd < 18.430 and attr rmsd > 17.430)) ( attr rmsd < 4.204 and attr rmsd > 4.104) 6 6 0 peak 24961 ppm1 3.574 ppm2 4.154 volume 0.0899 assi ((( attr rmsd < 4.143) and (attr rmsd > 4.043)) and bondedto(attr rmsd < 65.950 and attr rmsd > 64.950)) ( attr rmsd < 3.713 and attr rmsd > 3.613) 6 6 0 peak 14962 ppm1 4.093 ppm2 3.663 volume 0.0763 assi ((( attr rmsd < 4.143) and (attr rmsd > 4.043)) and bondedto(attr rmsd < 18.430 and attr rmsd > 17.430)) ( attr rmsd < 3.713 and attr rmsd > 3.613) 6 6 0 peak 24962 ppm1 4.093 ppm2 3.663 volume 0.0763 assi ((( attr rmsd < 4.154) and (attr rmsd > 4.054)) and bondedto(attr rmsd < 65.950 and attr rmsd > 64.950)) ( attr rmsd < 3.649 and attr rmsd > 3.549) 6 6 0 peak 14963 ppm1 4.104 ppm2 3.599 volume 0.0992 assi ((( attr rmsd < 4.154) and (attr rmsd > 4.054)) and bondedto(attr rmsd < 18.430 and attr rmsd > 17.430)) ( attr rmsd < 3.649 and attr rmsd > 3.549) 6 6 0 peak 24963 ppm1 4.104 ppm2 3.599 volume 0.0992 assi ((( attr rmsd < 0.587) and (attr rmsd > 0.487)) and bondedto(attr rmsd < 65.389 and attr rmsd > 64.389)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 14964 ppm1 0.537 ppm2 3.128 volume 0.0838 assi ((( attr rmsd < 0.587) and (attr rmsd > 0.487)) and bondedto(attr rmsd < 17.869 and attr rmsd > 16.869)) ( attr rmsd < 3.178 and attr rmsd > 3.078) 6 6 0 peak 24964 ppm1 0.537 ppm2 3.128 volume 0.0838 assi ((( attr rmsd < 0.437) and (attr rmsd > 0.337)) and bondedto(attr rmsd < 65.389 and attr rmsd > 64.389)) ( attr rmsd < 2.041 and attr rmsd > 1.941) 6 6 0 peak 14965 ppm1 0.387 ppm2 1.991 volume 0.0791 assi ((( attr rmsd < 0.437) and (attr rmsd > 0.337)) and bondedto(attr rmsd < 17.869 and attr rmsd > 16.869)) ( attr rmsd < 2.041 and attr rmsd > 1.941) 6 6 0 peak 24965 ppm1 0.387 ppm2 1.991 volume 0.0791 assi ((( attr rmsd < 0.886) and (attr rmsd > 0.786)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 2.325 and attr rmsd > 2.225) 6 6 0 peak 14966 ppm1 0.836 ppm2 2.275 volume 0.1052 assi ((( attr rmsd < 0.886) and (attr rmsd > 0.786)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 2.325 and attr rmsd > 2.225) 6 6 0 peak 24966 ppm1 0.836 ppm2 2.275 volume 0.1052 assi ((( attr rmsd < 0.889) and (attr rmsd > 0.789)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 2.479 and attr rmsd > 2.379) 6 6 0 peak 14967 ppm1 0.839 ppm2 2.429 volume 0.1004 assi ((( attr rmsd < 0.889) and (attr rmsd > 0.789)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 2.479 and attr rmsd > 2.379) 6 6 0 peak 24967 ppm1 0.839 ppm2 2.429 volume 0.1004 assi ((( attr rmsd < 0.876) and (attr rmsd > 0.776)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 2.805 and attr rmsd > 2.705) 6 6 0 peak 14968 ppm1 0.826 ppm2 2.755 volume 0.3150 assi ((( attr rmsd < 0.876) and (attr rmsd > 0.776)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 2.805 and attr rmsd > 2.705) 6 6 0 peak 24968 ppm1 0.826 ppm2 2.755 volume 0.3150 assi ((( attr rmsd < 0.873) and (attr rmsd > 0.773)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 2.939 and attr rmsd > 2.839) 6 6 0 peak 14969 ppm1 0.823 ppm2 2.889 volume 0.1628 assi ((( attr rmsd < 0.873) and (attr rmsd > 0.773)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 2.939 and attr rmsd > 2.839) 6 6 0 peak 24969 ppm1 0.823 ppm2 2.889 volume 0.1628 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 3.309 and attr rmsd > 3.209) 6 6 0 peak 14970 ppm1 0.825 ppm2 3.259 volume 0.0659 assi ((( attr rmsd < 0.875) and (attr rmsd > 0.775)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 3.309 and attr rmsd > 3.209) 6 6 0 peak 24970 ppm1 0.825 ppm2 3.259 volume 0.0659 assi ((( attr rmsd < 0.982) and (attr rmsd > 0.882)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 2.323 and attr rmsd > 2.223) 6 6 0 peak 14971 ppm1 0.932 ppm2 2.273 volume 0.2808 assi ((( attr rmsd < 0.982) and (attr rmsd > 0.882)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 2.323 and attr rmsd > 2.223) 6 6 0 peak 24971 ppm1 0.932 ppm2 2.273 volume 0.2808 assi ((( attr rmsd < 0.972) and (attr rmsd > 0.872)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 2.775 and attr rmsd > 2.675) 6 6 0 peak 14972 ppm1 0.922 ppm2 2.725 volume 0.1057 assi ((( attr rmsd < 0.972) and (attr rmsd > 0.872)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 2.775 and attr rmsd > 2.675) 6 6 0 peak 24972 ppm1 0.922 ppm2 2.725 volume 0.1057 assi ((( attr rmsd < 0.963) and (attr rmsd > 0.863)) and bondedto(attr rmsd < 65.576 and attr rmsd > 64.576)) ( attr rmsd < 3.172 and attr rmsd > 3.072) 6 6 0 peak 14973 ppm1 0.913 ppm2 3.122 volume 0.0630 assi ((( attr rmsd < 0.963) and (attr rmsd > 0.863)) and bondedto(attr rmsd < 18.056 and attr rmsd > 17.056)) ( attr rmsd < 3.172 and attr rmsd > 3.072) 6 6 0 peak 24973 ppm1 0.913 ppm2 3.122 volume 0.0630 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 64.641 and attr rmsd > 63.641)) ( attr rmsd < 3.129 and attr rmsd > 3.029) 6 6 0 peak 14974 ppm1 4.856 ppm2 3.079 volume 0.0855 assi ((( attr rmsd < 4.906) and (attr rmsd > 4.806)) and bondedto(attr rmsd < 17.121 and attr rmsd > 16.121)) ( attr rmsd < 3.129 and attr rmsd > 3.029) 6 6 0 peak 24974 ppm1 4.856 ppm2 3.079 volume 0.0855 assi ((( attr rmsd < 0.587) and (attr rmsd > 0.487)) and bondedto(attr rmsd < 40.694 and attr rmsd > 39.694)) ( attr rmsd < 1.385 and attr rmsd > 1.285) 6 6 0 peak 4975 ppm1 0.537 ppm2 1.335 volume 0.0790 assi ((( attr rmsd < 3.566) and (attr rmsd > 3.466)) and bondedto(attr rmsd < 65.202 and attr rmsd > 64.202)) ( attr rmsd < 5.006 and attr rmsd > 4.906) 6 6 0 peak 14976 ppm1 3.516 ppm2 4.956 volume 0.0754 assi ((( attr rmsd < 3.566) and (attr rmsd > 3.466)) and bondedto(attr rmsd < 17.682 and attr rmsd > 16.682)) ( attr rmsd < 5.006 and attr rmsd > 4.906) 6 6 0 peak 24976 ppm1 3.516 ppm2 4.956 volume 0.0754 assi ((( attr rmsd < 4.585) and (attr rmsd > 4.485)) and bondedto(attr rmsd < 65.015 and attr rmsd > 64.015)) ( attr rmsd < 3.984 and attr rmsd > 3.884) 6 6 0 peak 14977 ppm1 4.535 ppm2 3.934 volume 0.1194 assi ((( attr rmsd < 4.585) and (attr rmsd > 4.485)) and bondedto(attr rmsd < 17.495 and attr rmsd > 16.495)) ( attr rmsd < 3.984 and attr rmsd > 3.884) 6 6 0 peak 24977 ppm1 4.535 ppm2 3.934 volume 0.1194 assi ((( attr rmsd < 4.896) and (attr rmsd > 4.796)) and bondedto(attr rmsd < 65.015 and attr rmsd > 64.015)) ( attr rmsd < 1.009 and attr rmsd > 0.909) 6 6 0 peak 14978 ppm1 4.846 ppm2 0.959 volume 0.1468 assi ((( attr rmsd < 4.896) and (attr rmsd > 4.796)) and bondedto(attr rmsd < 17.495 and attr rmsd > 16.495)) ( attr rmsd < 1.009 and attr rmsd > 0.909) 6 6 0 peak 24978 ppm1 4.846 ppm2 0.959 volume 0.1468 assi ((( attr rmsd < 3.122) and (attr rmsd > 3.022)) and bondedto(attr rmsd < 41.255 and attr rmsd > 40.255)) ( attr rmsd < 1.680 and attr rmsd > 1.580) 6 6 0 peak 4979 ppm1 3.072 ppm2 1.630 volume 0.1257 assi ((( attr rmsd < 3.117) and (attr rmsd > 3.017)) and bondedto(attr rmsd < 41.255 and attr rmsd > 40.255)) ( attr rmsd < 1.875 and attr rmsd > 1.775) 6 6 0 peak 4980 ppm1 3.067 ppm2 1.825 volume 0.0808 assi ((( attr rmsd < 2.997) and (attr rmsd > 2.897)) and bondedto(attr rmsd < 41.255 and attr rmsd > 40.255)) ( attr rmsd < 1.882 and attr rmsd > 1.782) 6 6 0 peak 4981 ppm1 2.947 ppm2 1.832 volume 0.1161 assi ((( attr rmsd < 2.999) and (attr rmsd > 2.899)) and bondedto(attr rmsd < 41.255 and attr rmsd > 40.255)) ( attr rmsd < 1.663 and attr rmsd > 1.563) 6 6 0 peak 4982 ppm1 2.949 ppm2 1.613 volume 0.1021 assi ((( attr rmsd < 3.024) and (attr rmsd > 2.924)) and bondedto(attr rmsd < 41.255 and attr rmsd > 40.255)) ( attr rmsd < 0.976 and attr rmsd > 0.876) 6 6 0 peak 4983 ppm1 2.974 ppm2 0.926 volume 0.1262 assi ((( attr rmsd < 2.664) and (attr rmsd > 2.564)) and bondedto(attr rmsd < 41.255 and attr rmsd > 40.255)) ( attr rmsd < 0.988 and attr rmsd > 0.888) 6 6 0 peak 4984 ppm1 2.614 ppm2 0.938 volume 0.1064 assi ((( attr rmsd < 3.928) and (attr rmsd > 3.828)) and bondedto(attr rmsd < 64.641 and attr rmsd > 63.641)) ( attr rmsd < 1.894 and attr rmsd > 1.794) 6 6 0 peak 14985 ppm1 3.878 ppm2 1.844 volume 0.1019 assi ((( attr rmsd < 3.928) and (attr rmsd > 3.828)) and bondedto(attr rmsd < 17.121 and attr rmsd > 16.121)) ( attr rmsd < 1.894 and attr rmsd > 1.794) 6 6 0 peak 24985 ppm1 3.878 ppm2 1.844 volume 0.1019 assi ((( attr rmsd < 4.372) and (attr rmsd > 4.272)) and bondedto(attr rmsd < 64.454 and attr rmsd > 63.454)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 14986 ppm1 4.322 ppm2 2.030 volume 0.1125 assi ((( attr rmsd < 4.372) and (attr rmsd > 4.272)) and bondedto(attr rmsd < 16.934 and attr rmsd > 15.934)) ( attr rmsd < 2.080 and attr rmsd > 1.980) 6 6 0 peak 24986 ppm1 4.322 ppm2 2.030 volume 0.1125 assi ((( attr rmsd < 4.744) and (attr rmsd > 4.644)) and bondedto(attr rmsd < 64.641 and attr rmsd > 63.641)) ( attr rmsd < 1.802 and attr rmsd > 1.702) 6 6 0 peak 14987 ppm1 4.694 ppm2 1.752 volume 0.0763 assi ((( attr rmsd < 4.744) and (attr rmsd > 4.644)) and bondedto(attr rmsd < 17.121 and attr rmsd > 16.121)) ( attr rmsd < 1.802 and attr rmsd > 1.702) 6 6 0 peak 24987 ppm1 4.694 ppm2 1.752 volume 0.0763 assi ((( attr rmsd < 3.064) and (attr rmsd > 2.964)) and bondedto(attr rmsd < 64.080 and attr rmsd > 63.080)) ( attr rmsd < 1.773 and attr rmsd > 1.673) 6 6 0 peak 14988 ppm1 3.014 ppm2 1.723 volume 0.0899 assi ((( attr rmsd < 3.064) and (attr rmsd > 2.964)) and bondedto(attr rmsd < 16.560 and attr rmsd > 15.560)) ( attr rmsd < 1.773 and attr rmsd > 1.673) 6 6 0 peak 24988 ppm1 3.014 ppm2 1.723 volume 0.0899 assi ((( attr rmsd < 3.082) and (attr rmsd > 2.982)) and bondedto(attr rmsd < 64.080 and attr rmsd > 63.080)) ( attr rmsd < 2.153 and attr rmsd > 2.053) 6 6 0 peak 14989 ppm1 3.032 ppm2 2.103 volume 0.0809 assi ((( attr rmsd < 3.082) and (attr rmsd > 2.982)) and bondedto(attr rmsd < 16.560 and attr rmsd > 15.560)) ( attr rmsd < 2.153 and attr rmsd > 2.053) 6 6 0 peak 24989 ppm1 3.032 ppm2 2.103 volume 0.0809 assi ((( attr rmsd < 4.325) and (attr rmsd > 4.225)) and bondedto(attr rmsd < 40.320 and attr rmsd > 39.320)) ( attr rmsd < 2.594 and attr rmsd > 2.494) 6 6 0 peak 4990 ppm1 4.275 ppm2 2.544 volume 0.0866 assi ((( attr rmsd < 4.325) and (attr rmsd > 4.225)) and bondedto(attr rmsd < 40.320 and attr rmsd > 39.320)) ( attr rmsd < 3.093 and attr rmsd > 2.993) 6 6 0 peak 4991 ppm1 4.275 ppm2 3.043 volume 0.0702 assi ((( attr rmsd < 0.837) and (attr rmsd > 0.737)) and bondedto(attr rmsd < 63.331 and attr rmsd > 62.331)) ( attr rmsd < 5.031 and attr rmsd > 4.931) 6 6 0 peak 14992 ppm1 0.787 ppm2 4.981 volume 0.0691 assi ((( attr rmsd < 0.837) and (attr rmsd > 0.737)) and bondedto(attr rmsd < 15.811 and attr rmsd > 14.811)) ( attr rmsd < 5.031 and attr rmsd > 4.931) 6 6 0 peak 24992 ppm1 0.787 ppm2 4.981 volume 0.0691 assi ((( attr rmsd < 4.154) and (attr rmsd > 4.054)) and bondedto(attr rmsd < 62.396 and attr rmsd > 61.396)) ( attr rmsd < 4.515 and attr rmsd > 4.415) 6 6 0 peak 14993 ppm1 4.104 ppm2 4.465 volume 0.0821 assi ((( attr rmsd < 4.154) and (attr rmsd > 4.054)) and bondedto(attr rmsd < 14.876 and attr rmsd > 13.876)) ( attr rmsd < 4.515 and attr rmsd > 4.415) 6 6 0 peak 24993 ppm1 4.104 ppm2 4.465 volume 0.0821 assi ((( attr rmsd < 0.707) and (attr rmsd > 0.607)) and bondedto(attr rmsd < 61.460 and attr rmsd > 60.460)) ( attr rmsd < 3.841 and attr rmsd > 3.741) 6 6 0 peak 14994 ppm1 0.657 ppm2 3.791 volume 0.1306 assi ((( attr rmsd < 0.707) and (attr rmsd > 0.607)) and bondedto(attr rmsd < 13.940 and attr rmsd > 12.940)) ( attr rmsd < 3.841 and attr rmsd > 3.741) 6 6 0 peak 24994 ppm1 0.657 ppm2 3.791 volume 0.1306 assi ((( attr rmsd < 0.717) and (attr rmsd > 0.617)) and bondedto(attr rmsd < 61.460 and attr rmsd > 60.460)) ( attr rmsd < 3.636 and attr rmsd > 3.536) 6 6 0 peak 14995 ppm1 0.667 ppm2 3.586 volume 0.0615 assi ((( attr rmsd < 0.717) and (attr rmsd > 0.617)) and bondedto(attr rmsd < 13.940 and attr rmsd > 12.940)) ( attr rmsd < 3.636 and attr rmsd > 3.536) 6 6 0 peak 24995 ppm1 0.667 ppm2 3.586 volume 0.0615 assi ((( attr rmsd < 0.715) and (attr rmsd > 0.615)) and bondedto(attr rmsd < 61.460 and attr rmsd > 60.460)) ( attr rmsd < 3.304 and attr rmsd > 3.204) 6 6 0 peak 14996 ppm1 0.665 ppm2 3.254 volume 0.0640 assi ((( attr rmsd < 0.715) and (attr rmsd > 0.615)) and bondedto(attr rmsd < 13.940 and attr rmsd > 12.940)) ( attr rmsd < 3.304 and attr rmsd > 3.204) 6 6 0 peak 24996 ppm1 0.665 ppm2 3.254 volume 0.0640 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 61.835 and attr rmsd > 60.835)) ( attr rmsd < 2.953 and attr rmsd > 2.853) 6 6 0 peak 14997 ppm1 0.865 ppm2 2.903 volume 0.0685 assi ((( attr rmsd < 0.915) and (attr rmsd > 0.815)) and bondedto(attr rmsd < 14.315 and attr rmsd > 13.315)) ( attr rmsd < 2.953 and attr rmsd > 2.853) 6 6 0 peak 24997 ppm1 0.865 ppm2 2.903 volume 0.0685 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 61.835 and attr rmsd > 60.835)) ( attr rmsd < 1.948 and attr rmsd > 1.848) 6 6 0 peak 14998 ppm1 0.853 ppm2 1.898 volume 0.0893 assi ((( attr rmsd < 0.903) and (attr rmsd > 0.803)) and bondedto(attr rmsd < 14.315 and attr rmsd > 13.315)) ( attr rmsd < 1.948 and attr rmsd > 1.848) 6 6 0 peak 24998 ppm1 0.853 ppm2 1.898 volume 0.0893 assi ((( attr rmsd < 4.278) and (attr rmsd > 4.178)) and bondedto(attr rmsd < 61.835 and attr rmsd > 60.835)) ( attr rmsd < 1.776 and attr rmsd > 1.676) 6 6 0 peak 14999 ppm1 4.228 ppm2 1.726 volume 0.1011 assi ((( attr rmsd < 4.278) and (attr rmsd > 4.178)) and bondedto(attr rmsd < 14.315 and attr rmsd > 13.315)) ( attr rmsd < 1.776 and attr rmsd > 1.676) 6 6 0 peak 24999 ppm1 4.228 ppm2 1.726 volume 0.1011 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 62.022 and attr rmsd > 61.022)) ( attr rmsd < 1.801 and attr rmsd > 1.701) 6 6 0 peak 15000 ppm1 4.855 ppm2 1.751 volume 0.0787 assi ((( attr rmsd < 4.905) and (attr rmsd > 4.805)) and bondedto(attr rmsd < 14.502 and attr rmsd > 13.502)) ( attr rmsd < 1.801 and attr rmsd > 1.701) 6 6 0 peak 25000 ppm1 4.855 ppm2 1.751 volume 0.0787 assi ((( attr rmsd < 0.916) and (attr rmsd > 0.816)) and bondedto(attr rmsd < 60.899 and attr rmsd > 59.899)) ( attr rmsd < 4.379 and attr rmsd > 4.279) 6 6 0 peak 15001 ppm1 0.866 ppm2 4.329 volume 0.0792 assi ((( attr rmsd < 0.916) and (attr rmsd > 0.816)) and bondedto(attr rmsd < 13.379 and attr rmsd > 12.379)) ( attr rmsd < 4.379 and attr rmsd > 4.279) 6 6 0 peak 25001 ppm1 0.866 ppm2 4.329 volume 0.0792 assi ((( attr rmsd < 1.807) and (attr rmsd > 1.707)) and bondedto(attr rmsd < 35.830 and attr rmsd > 34.830)) ( attr rmsd < 3.111 and attr rmsd > 3.011) 6 6 0 peak 5002 ppm1 1.757 ppm2 3.061 volume 0.0751 assi ((( attr rmsd < 1.824) and (attr rmsd > 1.724)) and bondedto(attr rmsd < 36.204 and attr rmsd > 35.204)) ( attr rmsd < 4.480 and attr rmsd > 4.380) 6 6 0 peak 5003 ppm1 1.774 ppm2 4.430 volume 0.1144 assi ((( attr rmsd < 2.491) and (attr rmsd > 2.391)) and bondedto(attr rmsd < 36.952 and attr rmsd > 35.952)) ( attr rmsd < 3.576 and attr rmsd > 3.476) 6 6 0 peak 5004 ppm1 2.441 ppm2 3.526 volume 0.0998 assi ((( attr rmsd < 2.328) and (attr rmsd > 2.228)) and bondedto(attr rmsd < 36.952 and attr rmsd > 35.952)) ( attr rmsd < 3.576 and attr rmsd > 3.476) 6 6 0 peak 5005 ppm1 2.278 ppm2 3.526 volume 0.0654 assi ((( attr rmsd < 4.395) and (attr rmsd > 4.295)) and bondedto(attr rmsd < 60.151 and attr rmsd > 59.151)) ( attr rmsd < 4.030 and attr rmsd > 3.930) 6 6 0 peak 15006 ppm1 4.345 ppm2 3.980 volume 0.1117 assi ((( attr rmsd < 4.395) and (attr rmsd > 4.295)) and bondedto(attr rmsd < 12.631 and attr rmsd > 11.631)) ( attr rmsd < 4.030 and attr rmsd > 3.930) 6 6 0 peak 25006 ppm1 4.345 ppm2 3.980 volume 0.1117 assi ((( attr rmsd < 1.606) and (attr rmsd > 1.506)) and bondedto(attr rmsd < 35.081 and attr rmsd > 34.081)) ( attr rmsd < 2.824 and attr rmsd > 2.724) 6 6 0 peak 5007 ppm1 1.556 ppm2 2.774 volume 0.1021 assi ((( attr rmsd < 1.500) and (attr rmsd > 1.400)) and bondedto(attr rmsd < 35.081 and attr rmsd > 34.081)) ( attr rmsd < 2.825 and attr rmsd > 2.725) 6 6 0 peak 5008 ppm1 1.450 ppm2 2.775 volume 0.0899