0 mol 68 unq 0 iso 0 dist 5.74389 4.6006 8.23849 4.62009 8.05514 3.89663 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 5.74389 11.4038 6.4776 4.62009 8.05514 12.6908 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.67545 3.91691 9.73011 10.3685 9.16452 7.78799 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.53468 12.6627 8.39494 10.0936 7.69861 6.02262 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.90954 5.98483 8.39494 3.45332 7.69861 6.02262 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.81334 4.16711 7.95949 10.4613 9.86664 13.2727 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.42713 9.45097 8.16531 3.91263 7.8435 6.38065 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.42713 9.45097 8.16531 5.59024 5.99269 9.63231 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.42713 9.45097 8.16531 12.9872 5.71763 13.1685 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.42713 16.4676 8.98593 3.91263 7.8435 16.5618 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.42713 16.4676 8.98593 5.59024 5.99269 14.6083 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.42713 16.4676 8.98593 12.9872 5.71763 4.18667 numMergedOcc 0
12 mol 93 unq 6 iso 0 dist 8.21032 13.7524 8.16531 15.8131 7.8435 6.38065 numMergedOcc 0
13 mol 93 unq 7 iso 0 dist 8.21032 13.7524 8.16531 13.6266 5.99269 9.63231 numMergedOcc 0
14 mol 93 unq 8 iso 0 dist 8.21032 13.7524 8.16531 5.17052 5.71763 13.1685 numMergedOcc 0
15 mol 93 unq 9 iso 0 dist 8.21032 4.07972 8.98593 15.8131 7.8435 16.5618 numMergedOcc 0
16 mol 93 unq 10 iso 0 dist 8.21032 4.07972 8.98593 13.6266 5.99269 14.6083 numMergedOcc 0
17 mol 93 unq 11 iso 0 dist 8.21032 4.07972 8.98593 5.17052 5.71763 4.18667 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 9.2042 3.82471 7.00443 5.18463 9.82982 7.59527 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 6.92225 4.86148 6.64084 9.02669 6.11331 9.87921 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.69054 5.88863 5.14185 8.2542 8.999 5.35456 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 9.6309 8.60676 5.8679 5.64434 8.04838 5.66276 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 9.65075 4.95393 8.47289 13.5289 9.57955 11.8703 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 9.65075 4.95393 8.47289 6.40342 8.79277 4.88404 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 8.38439 4.60599 5.6241 7.9415 9.14068 4.58625 numMergedOcc 0
25 mol 237 unq 0 iso 0 dist 9.74081 15.929 7.61091 6.94282 8.7414 11.9278 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 9.43554 6.49284 7.78686 6.9412 7.22664 10.3335 numMergedOcc 0
27 mol 250 unq 1 iso 0 dist 9.43554 6.49284 7.78686 6.56481 7.15762 6.0168 numMergedOcc 0
28 mol 250 unq 2 iso 0 dist 9.21681 12.4291 7.78686 15.9167 7.22664 10.3335 numMergedOcc 0
29 mol 250 unq 3 iso 0 dist 9.21681 12.4291 7.78686 12.9916 7.15762 6.0168 numMergedOcc 0
30 mol 270 unq 0 iso 0 dist 8.05859 9.50342 6.24324 12.8011 7.39185 4.67018 numMergedOcc 0
31 mol 270 unq 1 iso 0 dist 8.05859 9.50342 6.24324 12.2628 8.20158 9.16677 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 5.63154 9.44846 9.56438 3.77031 5.8304 5.75039 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 5.63154 9.44846 9.56438 9.11782 7.37478 15.4744 numMergedOcc 0
