0 mol 9 unq 0 iso 0 dist 5.87266 14.9544 9.82483 6.06761 5.55437 10.4204 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.60462 10.7245 9.82483 5.20712 5.55437 10.4204 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.78238 8.08994 8.62284 13.3639 9.38831 11.3767 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 4.75558 11.648 6.93364 8.38433 8.63361 11.952 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 4.75558 10.4361 6.34821 8.38433 8.63361 11.0362 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.975 10.3282 9.9016 6.74001 7.63127 10.833 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 9.07229 5.45952 6.40901 6.07527 5.73236 7.12863 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 8.49918 5.45801 7.53158 11.3572 9.14458 6.2969 numMergedOcc 0
8 mol 154 unq 1 iso 0 dist 8.49918 9.33286 7.43407 11.3572 9.14458 6.70864 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 8.99141 11.0872 6.87906 13.0334 5.90883 10.5496 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 8.99141 7.13872 7.94975 13.0334 5.90883 9.19336 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 8.99141 13.2367 8.49473 13.0334 5.90883 13.3907 numMergedOcc 0
12 mol 156 unq 3 iso 0 dist 8.99141 16.2495 9.39865 13.0334 5.90883 4.24398 numMergedOcc 0
13 mol 156 unq 4 iso 0 dist 5.85349 11.0872 9.54367 6.00736 4.9941 14.2138 numMergedOcc 0
14 mol 156 unq 5 iso 0 dist 5.85349 11.0872 9.54367 13.0334 8.06913 10.5496 numMergedOcc 0
15 mol 156 unq 6 iso 0 dist 5.85349 7.13872 7.26859 6.00736 4.9941 10.1294 numMergedOcc 0
16 mol 156 unq 7 iso 0 dist 5.85349 7.13872 7.26859 13.0334 8.06913 9.19336 numMergedOcc 0
17 mol 156 unq 8 iso 0 dist 8.60938 10.6432 6.87906 6.88531 5.90883 10.5496 numMergedOcc 0
18 mol 156 unq 9 iso 0 dist 8.60938 14.2309 7.94975 6.88531 5.90883 9.19336 numMergedOcc 0
19 mol 156 unq 10 iso 0 dist 8.60938 7.03382 9.39865 6.88531 5.90883 4.24398 numMergedOcc 0
20 mol 156 unq 11 iso 0 dist 8.60938 11.5497 8.49473 6.88531 5.90883 13.3907 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 7.11599 5.00808 5.73148 10.6794 7.82546 7.48646 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 5.65801 5.56282 7.79505 12.4916 9.29264 9.93057 numMergedOcc 0
23 mol 173 unq 1 iso 0 dist 8.58733 7.17381 7.79505 15.5944 9.29264 9.93057 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 9.13708 18.6899 9.77862 11.1809 5.52678 12.0339 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 9.13708 18.6899 9.77862 7.62027 9.81666 18.7006 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 5.05201 6.70019 9.20589 11.6645 9.56257 8.84427 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 5.05201 10.3655 7.89801 11.6645 9.56257 5.95112 numMergedOcc 0
