# Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 8114 0.877 6.536 12.753 1 U 1.860e+03 0.00e+00 m 0 1144 3289 1145 0 8115 0.877 6.790 12.753 1 U 1.045e+03 0.00e+00 m 0 1144 3288 1145 0 8118 3.928 2.136 55.557 3 U -1.820e+03 0.00e+00 m 0 1375 0 1374 0 8120 3.928 8.489 55.557 3 U -1.039e+03 0.00e+00 m 0 1375 0 1374 0 8121 3.928 7.839 55.557 3 U -7.850e+02 0.00e+00 m 0 1375 0 1374 0 8123 1.774 1.171 15.665 3 U 2.422e+03 0.00e+00 m 0 841 3781 842 0 8124 1.774 2.211 15.665 3 U 2.803e+03 0.00e+00 m 0 841 0 842 0 8125 1.774 2.617 15.665 3 U 1.024e+03 0.00e+00 m 0 841 0 842 0 8126 1.774 3.012 15.665 3 U 1.905e+03 0.00e+00 m 0 841 3789 842 0 8127 1.774 3.788 15.665 3 U 5.865e+03 0.00e+00 m 0 841 3774 842 0 8130 1.774 3.657 15.665 3 U 1.758e+03 0.00e+00 m 0 841 0 842 0 8131 4.222 7.314 59.321 4 U -9.430e+02 0.00e+00 m 0 0 0 0 0 8132 4.222 8.420 59.321 4 U -1.144e+03 0.00e+00 m 0 0 0 0 0 8133 1.244 6.905 18.247 3 U 1.634e+03 0.00e+00 m 0 1386 3392 1387 0 8135 1.244 8.496 18.247 3 U 2.397e+03 0.00e+00 m 0 1386 3378 1387 0 8137 1.244 2.118 18.247 3 U 5.318e+03 0.00e+00 m 0 1386 3384 1387 0 8145 1.893 6.922 19.364 1 U 4.294e+03 0.00e+00 m 0 413 4007 414 0 8146 1.893 7.027 19.364 1 U 4.760e+03 0.00e+00 m 0 413 4008 414 0 8148 1.893 7.809 19.364 3 U 1.194e+03 0.00e+00 m 0 413 0 414 0 8150 1.433 4.310 19.522 3 U 1.409e+03 0.00e+00 m 0 335 0 336 0 8151 1.433 7.600 19.522 3 U 5.510e+02 0.00e+00 m 0 335 0 336 0 8152 1.433 1.456 19.522 3 U 1.994e+03 0.00e+00 m 0 335 0 336 0 8156 3.794 0.292 61.108 3 U -9.570e+02 0.00e+00 m 0 1347 3430 1346 0 8163 1.611 7.600 20.524 3 U 1.251e+03 0.00e+00 m 0 1055 0 1056 0 8164 1.611 7.306 20.524 1 U 3.624e+03 0.00e+00 m 0 1055 3249 1056 0 8165 1.611 7.037 20.524 1 U 6.644e+03 0.00e+00 m 0 1055 3248 1056 0 8166 1.611 4.102 20.524 3 U 1.317e+03 0.00e+00 m 0 1055 3283 1056 0 8167 1.611 3.784 20.524 3 U 7.070e+02 0.00e+00 m 0 1055 0 1056 0 8168 1.611 0.763 20.524 3 U 1.178e+03 0.00e+00 m 0 1055 3479 1056 0 8169 1.611 0.592 20.524 3 U 5.700e+02 0.00e+00 m 0 1055 3480 1056 0 8174 1.611 2.866 20.524 3 U 1.761e+03 0.00e+00 m 0 1055 0 1056 0 8175 1.611 6.826 20.524 1 U 2.028e+03 0.00e+00 m 0 1055 3288 1056 0 8176 1.611 6.548 20.524 1 U 7.520e+02 0.00e+00 m 0 1055 0 1056 0 8177 -0.070 0.937 21.489 3 U 6.710e+02 0.00e+00 m 0 1072 0 1077 0 8178 -0.070 2.087 21.489 3 U 7.500e+02 0.00e+00 m 0 1072 3367 1077 0 8179 -0.070 2.770 21.489 3 U 9.430e+02 0.00e+00 m 0 1072 3287 1077 0 8180 -0.070 4.057 21.489 3 U 9.780e+02 0.00e+00 m 0 1072 0 1077 0 8181 -0.070 3.807 21.489 3 U 6.120e+02 0.00e+00 m 0 1072 0 1077 0 8182 -0.070 6.528 21.489 1 U 1.427e+03 0.00e+00 m 0 1072 3289 1077 0 8183 -0.070 6.801 21.489 1 U 1.968e+03 0.00e+00 m 0 1072 3288 1077 0 8184 -0.643 1.815 21.813 1 U 1.065e+03 0.00e+00 m 0 646 3914 651 0 8185 -0.643 3.254 21.813 3 U 7.880e+02 0.00e+00 m 0 646 0 651 0 8186 -0.643 0.745 21.813 1 U 2.326e+03 0.00e+00 m 0 646 3915 651 0 8187 -0.643 1.000 21.813 1 U 7.730e+02 0.00e+00 m 0 646 3916 651 0 8188 0.982 2.281 21.813 3 U 4.385e+03 0.00e+00 m 0 1431 3370 1436 0 8189 0.982 6.532 21.813 1 U 2.136e+03 0.00e+00 m 0 1431 3289 1436 0 8191 0.982 7.848 21.813 3 U 6.090e+02 0.00e+00 m 0 1431 0 1436 0 8192 0.982 8.392 21.813 3 U 5.190e+02 0.00e+00 m 0 1431 0 1436 0 8197 0.901 1.307 21.813 3 U 2.082e+03 0.00e+00 m 0 933 3425 935 0 8199 0.901 1.876 21.813 3 U 3.510e+03 0.00e+00 m 0 933 3498 935 0 8202 0.901 3.799 21.813 3 U 4.266e+03 0.00e+00 m 0 933 3422 935 0 8203 0.901 7.190 21.813 1 U 1.676e+03 0.00e+00 m 0 933 3196 935 0 8204 0.901 7.360 21.813 1 U 1.086e+03 0.00e+00 m 0 933 3188 935 0 8205 0.901 7.724 21.813 3 U 1.006e+03 0.00e+00 m 0 933 0 935 0 8207 0.281 0.916 24.072 3 U 6.138e+03 0.00e+00 m 0 430 3933 435 0 8208 0.281 1.274 24.072 3 U 3.161e+03 0.00e+00 m 0 430 4386 435 0 8209 0.281 1.845 24.072 3 U 2.246e+03 0.00e+00 m 0 430 0 435 0 8210 0.281 2.107 24.072 3 U 2.711e+03 0.00e+00 m 0 430 4333 435 0 8211 0.281 2.455 24.072 3 U 1.095e+03 0.00e+00 m 0 430 4353 435 0 8212 0.281 3.024 24.072 3 U 1.181e+03 0.00e+00 m 0 430 4005 435 0 8214 0.281 3.960 24.072 3 U 3.249e+03 0.00e+00 m 0 430 4331 435 0 8215 0.281 6.926 24.072 1 U 3.297e+03 0.00e+00 m 0 430 4007 435 0 8216 0.281 7.031 24.072 1 U 1.676e+03 0.00e+00 m 0 430 4008 435 0 8218 0.281 8.486 24.072 3 U 8.370e+02 0.00e+00 m 0 430 3946 435 0 8222 0.993 -0.639 24.395 1 U 7.950e+02 0.00e+00 m 0 916 3646 921 0 8223 0.993 0.274 24.395 1 U 1.602e+03 0.00e+00 m 0 916 3645 921 0 8224 0.993 1.824 24.395 3 U 1.600e+03 0.00e+00 m 0 916 0 921 0 8227 0.993 7.375 24.395 1 U 1.197e+03 0.00e+00 m 0 916 3633 921 0 8228 0.993 7.133 24.395 1 U 9.300e+02 0.00e+00 m 0 916 3626 921 0 8229 0.993 0.760 24.395 3 U 5.551e+03 0.00e+00 m 0 916 3915 921 0 8230 1.105 1.577 24.395 3 U 1.550e+03 0.00e+00 m 0 934 3502 939 0 8231 1.105 1.836 24.395 3 U 3.012e+03 0.00e+00 m 0 934 3498 939 0 8233 1.105 3.109 24.395 3 U 1.033e+03 0.00e+00 m 0 934 3504 939 0 8234 1.105 3.793 24.395 3 U 6.090e+03 0.00e+00 m 0 934 3494 939 0 8235 1.105 8.606 24.395 3 U 2.107e+03 0.00e+00 m 0 934 3556 939 0 8236 1.105 7.355 24.395 1 U 1.996e+03 0.00e+00 m 0 934 3188 939 0 8237 1.105 7.190 24.395 1 U 1.817e+03 0.00e+00 m 0 934 3196 939 0 8238 1.094 0.542 24.719 3 U 9.940e+02 0.00e+00 m 0 1430 0 1432 0 8239 1.094 7.841 24.719 3 U 1.102e+03 0.00e+00 m 0 1430 0 1432 0 8240 1.094 6.514 24.719 3 U 6.650e+02 0.00e+00 m 0 1430 3289 1432 0 8241 3.815 6.784 50.280 4 U 1.025e+03 0.00e+00 m 0 0 0 0 0 8242 3.815 0.929 50.280 4 U 8.370e+02 0.00e+00 m 0 0 0 0 0 8246 2.719 8.365 41.554 3 U 5.800e+02 0.00e+00 m 0 1448 0 1446 0 8248 1.756 3.794 41.153 3 U 8.910e+02 0.00e+00 m 0 854 3494 851 0 8249 1.756 7.979 41.153 3 U 6.320e+02 0.00e+00 m 0 854 3566 851 0 8250 2.224 0.538 37.661 4 U 8.700e+02 0.00e+00 m 0 0 0 0 0 8251 2.465 0.538 37.661 4 U 5.650e+02 0.00e+00 m 0 0 0 0 0 8252 2.082 3.915 33.134 3 U 1.897e+03 0.00e+00 m 0 367 4385 365 0 8257 2.082 1.239 33.134 3 U 1.339e+03 0.00e+00 m 0 367 4386 365 0 8259 2.393 3.915 33.134 3 U 7.650e+02 0.00e+00 m 0 366 4385 365 0 8260 2.393 6.920 33.134 3 U 1.178e+03 0.00e+00 m 0 366 4016 365 0 8262 2.393 1.246 33.134 3 U 6.360e+02 0.00e+00 m 0 366 4386 365 0 8264 2.104 0.303 32.800 1 U 1.293e+03 0.00e+00 m 0 1333 3430 1332 0 8265 2.104 0.490 32.800 1 U 9.550e+02 0.00e+00 m 0 1333 3429 1332 0 8266 1.916 0.281 32.800 1 U 1.004e+03 0.00e+00 m 0 1334 3430 1332 0 8267 1.916 0.490 32.800 1 U 7.760e+02 0.00e+00 m 0 1334 3429 1332 0 8268 1.822 0.281 28.602 1 U 1.231e+03 0.00e+00 m 0 1338 3430 1336 0 8270 0.732 0.271 27.631 1 U 6.588e+03 0.00e+00 m 0 915 3645 917 0 8271 0.732 -0.653 27.631 1 U 9.410e+02 0.00e+00 m 0 915 3646 917 0 8272 0.732 1.764 27.631 3 U 1.401e+03 0.00e+00 m 0 915 0 917 0 8273 0.732 3.788 27.631 3 U 7.840e+02 0.00e+00 m 0 915 0 917 0 8274 0.732 7.130 27.631 3 U 6.590e+02 0.00e+00 m 0 915 3626 917 0 8275 2.508 0.936 26.900 4 U 1.544e+03 0.00e+00 m 0 0 0 0 0 8276 2.601 0.936 26.900 4 U 1.504e+03 0.00e+00 m 0 0 0 0 0 8277 0.267 0.758 26.984 1 U 1.102e+04 0.00e+00 m 0 645 3915 647 0 8278 0.267 1.812 26.984 1 U 3.285e+03 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3990 485 0 8298 0.594 3.915 25.690 3 U 1.699e+03 0.00e+00 m 0 480 0 485 0 8301 0.481 1.251 25.366 3 U 4.942e+03 0.00e+00 m 0 429 4386 431 0 8303 0.481 2.106 25.366 3 U 2.566e+03 0.00e+00 m 0 429 4333 431 0 8304 0.481 3.795 25.366 3 U 3.402e+03 0.00e+00 m 0 429 0 431 0 8306 0.481 6.891 25.366 1 U 1.934e+03 0.00e+00 m 0 429 4016 431 0 8307 0.481 7.020 25.366 1 U 1.120e+03 0.00e+00 m 0 429 4008 431 0 8308 0.481 8.486 25.366 3 U 1.267e+03 0.00e+00 m 0 429 0 431 0 8311 0.481 7.724 25.366 3 U 6.750e+02 0.00e+00 m 0 429 0 431 0 8312 0.738 0.255 25.366 3 U 1.212e+04 0.00e+00 m 0 857 3645 859 0 8313 0.738 1.803 25.366 3 U 1.904e+04 0.00e+00 m 0 857 0 859 0 8315 0.738 3.178 25.366 3 U 5.809e+03 0.00e+00 m 0 857 3698 859 0 8320 0.738 7.540 25.366 3 U 7.260e+02 0.00e+00 m 0 857 0 859 0 8324 1.244 3.924 18.247 3 U 2.787e+03 0.00e+00 m 0 1386 0 1387 0 8329 6.551 -0.102 117.959 1 U 1.090e+03 0.00e+00 m 0 289 4072 294 0 8330 6.551 0.931 117.959 1 U 2.980e+03 0.00e+00 m 0 289 0 294 0 8331 6.551 1.849 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8384 1.244 7.632 18.247 1 U 8.240e+02 0.00e+00 m 0 1386 3391 1387 0 8385 2.082 0.973 33.134 1 U 9.820e+02 0.00e+00 m 0 367 4431 365 0 8386 2.082 6.915 33.134 1 U 1.786e+03 0.00e+00 m 0 367 4016 365 0 8387 2.393 1.075 33.134 1 U 1.075e+03 0.00e+00 m 0 366 4430 365 0 8388 2.082 2.264 33.134 1 U 1.452e+03 0.00e+00 m 0 367 4429 365 0 8389 2.393 2.264 33.134 1 U 5.850e+02 0.00e+00 m 0 366 4429 365 0 8390 1.893 8.086 19.364 1 U 1.303e+03 0.00e+00 m 0 413 0 414 0 8391 1.893 1.925 19.364 1 U 1.005e+03 0.00e+00 m 0 413 0 414 0 8392 1.893 0.956 19.364 1 U 8.590e+02 0.00e+00 m 0 413 0 414 0 8393 1.893 1.177 19.364 1 U 7.240e+02 0.00e+00 m 0 413 0 414 0 8394 0.481 8.863 25.366 1 U 6.130e+02 0.00e+00 m 0 429 0 431 0 8395 0.481 7.962 25.366 1 U 7.140e+02 0.00e+00 m 0 429 0 431 0 8396 0.281 7.813 24.072 1 U 7.010e+02 0.00e+00 m 0 430 0 435 0 8397 0.281 8.872 24.072 1 U 5.860e+02 0.00e+00 m 0 430 0 435 0 8398 0.481 1.845 25.366 1 U 2.394e+03 0.00e+00 m 0 429 0 431 0 8399 0.481 3.028 25.366 1 U 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0.877 2.238 12.753 1 U 1.584e+03 0.00e+00 m 0 1144 0 1145 0 8434 0.877 0.877 12.753 1 U 2.667e+03 0.00e+00 m 0 1144 0 1145 0 8435 0.982 0.965 21.813 1 U 2.065e+03 0.00e+00 m 0 1431 0 1436 0 8436 2.719 2.236 41.554 1 U 1.232e+03 0.00e+00 m 0 1448 3370 1446 0 8437 2.804 2.236 41.554 1 U 9.970e+02 0.00e+00 m 0 1447 3370 1446 0