0 mol 7 unq 0 iso 0 dist 8.02892 5.38502 6.7985 10.7001 6.14349 6.44736 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 18.3913 15.0804 6.73939 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.44343 11.8037 6.95572 13.7462 6.36037 7.38677 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 8.06774 12.692 9.01852 12.8869 8.93829 9.75958 numMergedOcc 0
4 mol 125 unq 0 iso 0 dist 9.2657 9.67381 9.08382 11.5759 4.38093 8.76789 numMergedOcc 0
5 mol 125 unq 1 iso 0 dist 9.2657 9.19339 9.3778 11.5759 4.38093 7.73435 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 15.6434 7.91034 7.58957 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 5.96506 5.96312 7.90048 14.4087 12.2217 9.99802 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 5.80404 6.80292 9.22232 15.062 18.2432 9.22661 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 5.80404 6.80292 9.22232 10.5885 15.4484 7.56378 numMergedOcc 0
10 mol 135 unq 0 iso 0 dist 9.03598 12.3033 7.90563 13.6359 6.35752 5.62052 numMergedOcc 0
11 mol 135 unq 1 iso 0 dist 9.03598 9.69024 8.97655 13.6359 6.35752 7.85645 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 9.84247 4.30566 8.91301 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 8.32227 9.67236 8.61587 9.15984 6.12113 7.30357 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 7.70894 11.8579 9.47433 19.5388 16.7026 9.44367 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 9.6281 5.0966 9.44367 10.9903 16.7026 9.47433 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 6.22667 9.07974 9.44367 18.2332 16.7026 9.47433 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.66608 5.16386 6.41453 10.9743 9.53592 5.9176 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 9.68323 5.40949 6.73956 10.8403 6.27728 7.09394 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 16.6827 11.362 5.41321 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 6.86251 5.19684 6.21292 6.20377 10.2834 6.95126 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 6.20377 5.19684 6.95126 6.86251 10.2834 6.21292 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 5.62039 7.42147 9.20822 11.2533 8.65228 7.41478 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 8.30714 12.3018 9.45514 15.8616 10.7637 6.39866 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 9.02661 10.2307 6.39866 14.0902 10.7637 9.45514 numMergedOcc 0
