0 mol 18 unq 0 iso 0 dist 6.19657 10.1168 9.1397 9.98735 9.46349 5.67577 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 9.96441 6.66097 8.41542 4.61635 5.70939 4.59725 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 5.17241 5.39129 7.68478 5.73081 8.50003 10.0309 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 5.17241 5.39129 7.68478 6.66655 7.00717 10.622 numMergedOcc 0
4 mol 38 unq 2 iso 0 dist 5.17241 5.29179 6.87122 5.73081 8.50003 6.37474 numMergedOcc 0
5 mol 38 unq 3 iso 0 dist 5.17241 5.29179 6.87122 6.66655 7.00717 6.10572 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.7662 14.4889 8.06267 17.168 9.63906 5.74372 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.7739 9.51008 8.06267 13.4251 9.63906 5.74372 numMergedOcc 0
8 mol 68 unq 2 iso 0 dist 8.3318 9.51008 5.88334 13.4251 7.71872 5.74372 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.8173 10.1233 7.37171 5.17759 4.27766 6.41115 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.8173 4.49951 8.62079 5.17759 4.27766 5.9144 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 9.45247 8.6616 9.10911 4.34447 9.25023 8.4494 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 9.82654 3.97609 8.51123 5.81344 7.54274 3.87365 numMergedOcc 0
13 mol 142 unq 0 iso 0 dist 5.79144 13.1936 8.04118 9.23267 5.42679 4.67662 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 5.79144 12.288 8.39035 9.23267 5.42679 5.81599 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 8.78397 13.1754 6.79114 16.0705 8.60651 4.94983 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 7.93917 10.3284 7.48734 11.412 7.0961 4.67135 numMergedOcc 0
17 mol 168 unq 1 iso 0 dist 7.93917 10.3284 7.48734 14.5433 8.21227 13.2594 numMergedOcc 0
18 mol 168 unq 2 iso 0 dist 7.93917 10.3284 7.48734 4.20684 6.53038 11.6594 numMergedOcc 0
19 mol 168 unq 3 iso 0 dist 7.93917 5.14202 5.6125 11.412 7.0961 9.87321 numMergedOcc 0
20 mol 168 unq 4 iso 0 dist 7.93917 5.14202 5.6125 14.5433 8.21227 10.7557 numMergedOcc 0
21 mol 168 unq 5 iso 0 dist 7.93917 5.14202 5.6125 4.20684 6.53038 5.16335 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.51947 5.85613 9.65093 8.23952 9.4366 11.6282 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 9.60788 11.4293 9.38984 9.85439 5.89939 13.9836 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 9.60788 11.4293 9.38984 4.87837 8.18853 13.9116 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 9.60788 14.5507 9.91118 9.85439 5.89939 15.5573 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 9.60788 14.5507 9.91118 4.87837 8.18853 16.1172 numMergedOcc 0
27 mol 251 unq 0 iso 0 dist 6.63516 12.8309 8.45764 4.08826 7.72528 11.5298 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.71152 9.74925 8.55044 12.4427 9.81261 12.2555 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 7.89784 12.9146 9.96374 6.37045 9.21469 17.5073 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 7.83983 13.1936 9.96374 11.7127 9.21469 17.5073 numMergedOcc 0
