0 mol 10 unq 0 iso 0 dist 8.09253 6.77258 6.18431 11.8874 9.69704 8.00369 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.96039 4.80291 7.46095 9.98078 6.48293 9.75201 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 7.77418 5.54999 6.11407 12.0445 9.00531 9.77017 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 9.78215 5.28204 7.75314 7.61392 4.24991 5.39061 numMergedOcc 0
4 mol 135 unq 0 iso 0 dist 8.08732 11.5311 7.28318 17.8789 11.321 9.40325 numMergedOcc 0
5 mol 135 unq 1 iso 0 dist 8.08732 11.5311 7.28318 15.0311 9.28378 8.25527 numMergedOcc 0
6 mol 135 unq 2 iso 0 dist 8.08732 11.5311 7.28318 12.0246 11.9049 8.83856 numMergedOcc 0
7 mol 135 unq 3 iso 0 dist 8.08732 11.0023 7.17599 17.8789 11.321 7.62606 numMergedOcc 0
8 mol 135 unq 4 iso 0 dist 9.13739 14.7983 7.28318 16.1858 11.321 9.40325 numMergedOcc 0
9 mol 135 unq 5 iso 0 dist 9.13739 14.7983 7.28318 18.3905 9.28378 8.25527 numMergedOcc 0
10 mol 135 unq 6 iso 0 dist 9.13739 14.7983 7.28318 19.1973 11.9049 8.83856 numMergedOcc 0
11 mol 135 unq 7 iso 0 dist 9.13739 10.6553 7.17599 16.1858 11.321 7.62606 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 7.91109 6.69013 7.42144 16.2539 12.6553 9.78667 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 7.91109 6.69013 7.42144 14.0542 10.1588 8.47026 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 5.75808 6.69013 6.27658 16.2539 13.5035 9.78667 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 5.75808 6.69013 6.27658 14.0542 11.7454 8.47026 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 8.09699 9.21862 7.47964 10.9871 6.1593 8.1536 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 9.38425 8.3856 5.74846 13.9681 8.34756 7.32555 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.41456 12.1711 6.56416 13.1146 5.40422 4.5271 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 7.53576 4.95971 6.59036 10.7483 10.0046 8.28466 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 8.29663 8.78038 9.31888 10.4688 5.38958 7.99521 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.40401 7.42475 7.77765 13.1841 14.6057 7.79704 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 9.40401 7.42475 7.77765 9.5962 15.1159 9.39276 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 5.64169 4.48276 7.77765 12.2654 14.6057 7.79704 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 5.64169 4.48276 7.77765 12.7557 15.1159 9.39276 numMergedOcc 0
