0 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 8.60554 6.99746 5.80953 14.6259 11.2485 13.6174 8.4051 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72502 5.11636 8.24948 8.60554 6.99746 5.80953 10.0952 10.7114 5.69214 7.29868 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.69955 8.25132 6.73167 10.177 5.30297 6.07276 13.2136 10.4035 5.56139 6.46104 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 5.69955 8.25132 6.73167 10.177 5.30297 6.07276 9.78225 8.6385 7.73394 7.36856 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.6385 7.73394 6.73167 7.36856 5.30297 6.07276 7.96502 10.4035 5.56139 6.46104 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 7.77116 9.68677 9.57341 17.8739 14.8901 8.67537 12.8594 12.6868 4.39676 6.73586 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 6.69515 13.2918 6.77921 11.0743 5.38571 6.65731 6.21253 7.86572 13.4066 9.97343 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.69515 13.2918 6.77921 11.0743 5.38571 6.65731 14.7832 10.271 8.54432 9.70413 numMergedOcc 0
8 mol 141 unq 2 iso 0 dist 7.86572 13.4066 6.77921 9.97343 5.38571 6.65731 11.4307 10.271 8.54432 9.70413 numMergedOcc 0
9 mol 170 unq 0 iso 0 dist 8.15099 4.78249 5.13268 6.35982 7.29587 6.47164 6.52462 9.05166 4.12764 9.10511 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 9.11712 4.00127 8.999 11.4288 11.6944 7.47964 9.59595 14.5662 7.5383 9.61462 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 6.26839 11.8031 6.72182 12.4952 7.50057 9.00322 14.6506 8.83356 4.66791 6.72379 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 8.12346 10.2793 5.53324 12.0009 5.92931 4.19371 8.0179 6.26839 10.0756 8.65535 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 8.12346 9.09233 6.72182 15.1649 7.50057 9.00322 13.5632 8.83356 4.66791 6.72379 numMergedOcc 0
14 mol 194 unq 3 iso 0 dist 8.83356 10.463 5.53324 12.645 5.92931 4.19371 14.6506 6.26839 10.0756 8.65535 numMergedOcc 0
15 mol 194 unq 4 iso 0 dist 8.2654 12.8494 5.53324 13.9101 5.92931 4.19371 8.48054 6.26839 10.0756 8.65535 numMergedOcc 0
16 mol 194 unq 5 iso 0 dist 8.2654 7.73551 6.72182 13.2138 7.50057 9.00322 11.6097 8.83356 4.66791 6.72379 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 6.60567 5.41635 6.34234 7.36683 6.0634 6.22742 10.7531 7.62942 6.04871 9.26504 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 7.62942 6.04871 6.34234 9.26504 6.0634 6.22742 10.7531 6.60567 5.41635 7.36683 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 8.57827 6.47488 5.50658 11.8495 12.8059 9.10288 4.12932 6.29767 3.9436 8.69988 numMergedOcc 0
20 mol 212 unq 1 iso 0 dist 8.57827 6.47488 5.50658 11.3832 10.7914 6.19798 4.12932 6.29767 3.9436 8.55903 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.03442 5.0317 9.43618 7.43071 12.8075 9.18728 4.39704 12.2278 5.83175 6.02296 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.29305 8.70069 7.37478 13.6219 5.89415 8.98854 6.67478 6.43341 4.14939 9.09855 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 8.29305 8.70069 7.37478 16.8274 15.1378 9.42255 14.4379 15.7719 10.7629 7.23721 numMergedOcc 0
24 mol 279 unq 2 iso 0 dist 6.43341 4.14939 7.37478 10.6879 15.1378 9.42255 9.64387 15.7719 10.7629 7.23721 numMergedOcc 0
