0 mol 29 unq 0 iso 0 dist 8.54108 9.12482 5.35542 9.50033 8.53135 12.5611 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.65602 9.03144 4.37718 12.428 9.46895 12.7419 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.76869 8.55031 10.6623 3.98752 8.32948 11.823 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 5.76869 8.55031 10.6623 7.08886 7.43338 13.9795 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.91313 9.82315 6.47853 12.5852 7.77128 13.6568 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 7.88704 7.80113 11.1337 10.1307 8.49115 15.2018 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 9.05437 9.33202 5.36222 10.8153 8.49115 13.3892 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 9.00625 6.55004 5.36222 13.7522 8.49115 13.3892 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.59749 7.31277 5.21599 8.04261 4.62366 9.714 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 8.52954 6.44932 7.34151 4.11428 7.30003 8.74649 numMergedOcc 0
10 mol 244 unq 0 iso 0 dist 9.16789 9.91271 13.018 4.30655 6.2667 8.92083 numMergedOcc 0
11 mol 256 unq 0 iso 0 dist 8.88264 9.71499 13.594 4.47286 9.92947 13.5825 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 6.41167 9.4886 7.55896 5.66907 8.73425 14.4707 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 6.41167 9.4886 7.55896 9.6053 9.65711 16.7565 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 6.43775 9.8799 10.7459 4.39302 7.27155 12.5139 numMergedOcc 0
15 mol 269 unq 0 iso 0 dist 5.51844 7.97206 7.92346 10.1928 7.76667 13.528 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 5.75335 8.78928 7.68527 3.92089 7.84151 9.57582 numMergedOcc 0
17 mol 273 unq 1 iso 0 dist 5.75335 8.78928 7.68527 9.51983 7.85797 14.1206 numMergedOcc 0
18 mol 273 unq 2 iso 0 dist 8.76527 8.78928 10.4936 3.92089 7.346 9.57582 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 8.12461 7.52227 5.76075 8.61682 7.25282 10.6513 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 9.69083 8.80555 5.2842 6.50939 6.53354 8.63928 numMergedOcc 0
21 mol 283 unq 1 iso 0 dist 9.69083 8.80555 5.2842 14.2956 6.93798 10.8712 numMergedOcc 0
22 mol 283 unq 2 iso 0 dist 5.96202 8.80418 5.2842 4.89148 6.53354 8.63928 numMergedOcc 0
23 mol 283 unq 3 iso 0 dist 5.96202 8.80418 5.2842 4.01355 6.93798 10.8712 numMergedOcc 0
