# Number of dimensions 2 #INAME 1 15N #INAME 3 1H 383 110.971 7.290 2 U 1.000e+06 0.00e+00 e 0 681 682 0 390 110.971 6.524 2 U 1.000e+06 0.00e+00 e 0 681 683 0 395 112.830 7.487 2 U 1.000e+06 0.00e+00 e 0 952 953 0 402 112.830 6.906 2 U 1.000e+06 0.00e+00 e 0 952 954 0 409 112.243 7.795 2 U 1.000e+06 0.00e+00 e 0 226 227 0 418 112.243 6.693 2 U 1.000e+06 0.00e+00 e 0 226 228 0 425 113.367 7.402 2 U 1.000e+06 0.00e+00 e 0 436 437 0 441 112.233 6.907 2 U 1.000e+06 0.00e+00 e 0 809 810 0 450 112.233 7.667 2 U 1.000e+06 0.00e+00 e 0 809 811 0 457 111.447 6.932 2 U 1.000e+06 0.00e+00 e 0 938 939 0 466 111.447 7.502 2 U 1.000e+06 0.00e+00 e 0 938 940 0 473 112.442 7.532 2 U 1.000e+06 0.00e+00 e 0 1159 1160 0 482 112.442 6.870 2 U 1.000e+06 0.00e+00 e 0 1159 1161 0 489 128.495 9.950 2 U 1.000e+06 0.00e+00 e 0 891 896 0 493 121.293 8.234 2 U 1.000e+06 0.00e+00 e 0 155 156 0 498 119.618 9.360 2 U 1.000e+06 0.00e+00 e 0 173 174 0 502 111.332 7.917 2 U 1.000e+06 0.00e+00 e 0 200 201 0 506 120.358 7.507 2 U 1.000e+06 0.00e+00 e 0 213 214 0 514 117.358 7.825 2 U 1.000e+06 0.00e+00 e 0 231 232 0 519 118.342 8.010 2 U 1.000e+06 0.00e+00 e 0 249 250 0 526 119.233 7.552 2 U 1.000e+06 0.00e+00 e 0 270 271 0 532 124.248 7.984 2 U 1.000e+06 0.00e+00 e 0 285 286 0 539 118.680 8.409 2 U 1.000e+06 0.00e+00 e 0 307 308 0 545 121.061 8.311 2 U 1.000e+06 0.00e+00 e 0 322 323 0 553 120.920 8.030 2 U 1.000e+06 0.00e+00 e 0 348 349 0 563 121.576 8.995 2 U 1.000e+06 0.00e+00 e 0 373 374 0 569 111.736 8.128 2 U 1.000e+06 0.00e+00 e 0 396 397 0 573 118.436 7.635 2 U 1.000e+06 0.00e+00 e 0 406 407 0 578 121.108 8.506 2 U 1.000e+06 0.00e+00 e 0 423 424 0 586 119.983 8.121 2 U 1.000e+06 0.00e+00 e 0 441 442 0 596 113.084 7.503 2 U 1.000e+06 0.00e+00 e 0 466 467 0 602 122.842 8.503 2 U 1.000e+06 0.00e+00 e 0 489 490 0 609 118.858 8.979 2 U 1.000e+06 0.00e+00 e 0 511 512 0 613 123.123 9.180 2 U 1.000e+06 0.00e+00 e 0 521 522 0 616 117.779 7.209 2 U 1.000e+06 0.00e+00 e 0 547 548 0 622 121.670 8.732 2 U 1.000e+06 0.00e+00 e 0 562 563 0 630 120.967 8.152 2 U 1.000e+06 0.00e+00 e 0 588 589 0 633 118.295 7.990 2 U 1.000e+06 0.00e+00 e 0 598 599 0 638 120.686 8.067 2 U 1.000e+06 0.00e+00 e 0 615 616 0 645 119.326 8.436 2 U 1.000e+06 0.00e+00 e 0 637 638 0 648 116.420 7.674 2 U 1.000e+06 0.00e+00 e 0 647 648 0 658 117.686 8.018 2 U 1.000e+06 0.00e+00 e 0 672 673 0 664 116.045 8.057 2 U 1.000e+06 0.00e+00 e 0 686 687 0 671 117.733 7.904 2 U 1.000e+06 0.00e+00 e 0 708 709 0 681 119.561 8.328 2 U 1.000e+06 0.00e+00 e 0 733 734 0 688 109.641 8.838 2 U 1.000e+06 0.00e+00 e 0 755 756 0 692 121.295 9.240 2 U 1.000e+06 0.00e+00 e 0 768 769 0 698 115.248 8.143 2 U 1.000e+06 0.00e+00 e 0 783 784 0 702 120.264 8.052 2 U 1.000e+06 0.00e+00 e 0 796 797 0 710 118.717 7.683 2 U 1.000e+06 0.00e+00 e 0 814 815 0 715 121.108 8.540 2 U 1.000e+06 0.00e+00 e 0 832 833 0 725 119.983 8.689 2 U 1.000e+06 0.00e+00 e 0 857 858 0 732 121.670 8.265 2 U 1.000e+06 0.00e+00 e 0 878 879 0 742 119.279 8.937 2 U 1.000e+06 0.00e+00 e 0 902 903 0 748 118.154 8.034 2 U 1.000e+06 0.00e+00 e 0 925 926 0 756 117.451 8.294 2 U 1.000e+06 0.00e+00 e 0 943 944 0 762 122.795 8.075 2 U 1.000e+06 0.00e+00 e 0 957 958 0 770 117.779 7.746 2 U 1.000e+06 0.00e+00 e 0 983 984 0 778 119.045 7.564 2 U 1.000e+06 0.00e+00 e 0 1009 1010 0 784 119.795 7.679 2 U 1.000e+06 0.00e+00 e 0 1032 1033 0 794 113.002 7.724 2 U 1.000e+06 0.00e+00 e 0 1057 1058 0 798 123.029 7.983 2 U 1.000e+06 0.00e+00 e 0 1070 1071 0 808 121.811 8.173 2 U 1.000e+06 0.00e+00 e 0 1095 1096 0 816 122.701 8.301 2 U 1.000e+06 0.00e+00 e 0 1121 1122 0 826 121.717 8.375 2 U 1.000e+06 0.00e+00 e 0 1146 1147 0 834 123.545 8.384 2 U 1.000e+06 0.00e+00 e 0 1164 1165 0 841 116.279 8.354 2 U 1.000e+06 0.00e+00 e 0 1186 1187 0 845 117.123 8.280 2 U 1.000e+06 0.00e+00 e 0 1196 1197 0 849 122.420 8.399 2 U 1.000e+06 0.00e+00 e 0 1206 1207 0 855 122.186 8.143 2 U 1.000e+06 0.00e+00 e 0 1221 1222 0 862 115.342 7.900 2 U 1.000e+06 0.00e+00 e 0 1243 1244 0 4127 118.680 6.449 2 U 1.000e+06 0.00e+00 e 0 307 0 0