0 mol 43 unq 0 iso 0 dist 8.34858 8.06275 5.90113 14.8755 14.166 8.47617 numMergedOcc 0
1 mol 122 unq 0 iso 0 dist 9.71402 8.47907 11.9943 8.96396 14.342 8.054 numMergedOcc 0
2 mol 134 unq 0 iso 0 dist 9.16832 7.30919 7.91746 14.4662 15.3914 8.75736 numMergedOcc 0
3 mol 134 unq 1 iso 0 dist 9.16832 7.30919 7.91746 12.021 14.598 6.76166 numMergedOcc 0
4 mol 178 unq 0 iso 0 dist 7.24761 8.04723 12.0146 11.2444 16.0339 7.14849 numMergedOcc 0
5 mol 178 unq 1 iso 0 dist 7.24761 8.04723 12.0146 12.3996 17.4942 8.63718 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.04346 6.0639 8.3612 5.18812 13.4298 9.71735 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 9.04346 6.91355 13.6446 5.18812 13.4298 9.04898 numMergedOcc 0
8 mol 196 unq 0 iso 0 dist 9.55849 9.23836 9.06413 11.5727 12.4454 7.84536 numMergedOcc 0
9 mol 196 unq 1 iso 0 dist 9.55849 9.23836 9.06413 8.10415 8.52655 7.07723 numMergedOcc 0
10 mol 196 unq 2 iso 0 dist 9.55849 9.23836 9.06413 6.1798 12.3416 6.40064 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 9.95318 9.79816 15.2473 12.3761 19.9092 9.85348 numMergedOcc 0
12 mol 243 unq 0 iso 0 dist 7.36479 7.80612 7.95216 14.2037 11.684 8.69557 numMergedOcc 0
13 mol 243 unq 1 iso 0 dist 7.36479 7.80612 7.95216 4.72507 6.41279 4.89168 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 9.12695 9.80409 10.7859 14.5584 15.555 9.45818 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 7.53963 6.94723 10.9032 4.85466 7.11605 7.1704 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 7.53963 6.94723 10.9032 5.45852 12.2579 5.59626 numMergedOcc 0
