0 mol 30 unq 0 iso 0 dist 9.41816 9.28346 4.43881 4.02928 7.6477 6.07517 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.28357 8.51543 4.80624 5.4968 9.73179 6.72869 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.28353 8.25679 5.35188 5.7326 11.1465 7.51139 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 5.62903 6.5258 4.87668 4.03471 6.6536 4.22363 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.73544 5.11612 6.37222 3.85674 11.609 6.24825 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 8.93793 5.22628 6.51536 3.82475 11.8134 6.39384 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 5.58346 7.55822 7.08076 8.3164 11.5536 8.28795 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 7.09179 7.55822 10.0812 8.3164 11.819 8.28795 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.61918 8.29673 13.1011 10.2739 17.1262 8.26547 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.25968 8.75736 12.0992 14.0091 15.0906 9.00918 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.25968 8.75736 12.0992 15.5753 17.413 7.99477 numMergedOcc 0
11 mol 217 unq 0 iso 0 dist 6.10085 7.52229 8.71371 3.64097 7.00456 9.62437 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 7.61854 5.99137 7.45579 13.9834 10.2767 9.3206 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 8.82741 8.69557 14.0902 4.02386 12.6943 7.10671 numMergedOcc 0
14 mol 243 unq 1 iso 0 dist 8.82741 8.69557 14.0902 8.36019 15.2635 8.67156 numMergedOcc 0
15 mol 267 unq 0 iso 0 dist 9.70756 6.19138 5.09878 6.43871 12.2214 7.34981 numMergedOcc 0
16 mol 267 unq 1 iso 0 dist 7.21009 6.54381 7.22349 5.40798 8.82546 7.34981 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 9.44726 7.11081 4.81126 5.04876 12.7718 9.46442 numMergedOcc 0
18 mol 292 unq 1 iso 0 dist 9.44726 7.11081 4.81126 5.37135 10.1735 7.30758 numMergedOcc 0
19 mol 292 unq 2 iso 0 dist 9.44726 7.11081 4.81126 7.24839 7.82167 9.5785 numMergedOcc 0
20 mol 292 unq 3 iso 0 dist 9.44726 7.11081 4.81126 8.58496 9.01438 9.76319 numMergedOcc 0
