0 mol 21 unq 0 iso 0 dist 9.34916 4.64075 8.038 12.4315 9.35562 13.0136 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 9.34916 4.64075 8.038 9.03671 8.63857 9.88732 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.75011 5.41061 8.82122 13.4496 5.91068 13.8687 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 6.16039 8.28869 9.03277 6.20277 8.9677 10.2401 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 5.60137 6.82156 9.4696 4.87576 6.68164 9.37704 numMergedOcc 0
5 mol 159 unq 0 iso 0 dist 6.68441 9.50505 9.53056 6.59167 8.88492 8.58259 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 9.13913 7.72454 9.25763 15.1639 8.62366 10.1842 numMergedOcc 0
7 mol 173 unq 1 iso 0 dist 9.13913 7.72454 9.25763 15.4654 9.44973 12.4786 numMergedOcc 0
8 mol 173 unq 2 iso 0 dist 9.13913 7.72454 9.25763 15.2591 6.52508 13.8624 numMergedOcc 0
9 mol 173 unq 3 iso 0 dist 9.13913 10.9088 9.63102 15.1639 8.62366 7.24163 numMergedOcc 0
10 mol 173 unq 4 iso 0 dist 9.13913 10.9088 9.63102 15.4654 9.44973 8.98989 numMergedOcc 0
11 mol 173 unq 5 iso 0 dist 9.13913 10.9088 9.63102 15.2591 6.52508 12.0865 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 9.15536 5.0925 6.84347 6.48113 9.76114 9.36968 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 7.95111 11.1787 5.59438 11.7525 7.59939 7.12599 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.75763 13.0454 8.55725 9.72539 9.32333 4.65091 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 6.52001 5.11289 8.55725 5.49738 9.32333 4.65091 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 5.77917 7.86766 6.35728 10.7932 8.70987 4.112 numMergedOcc 0
17 mol 228 unq 0 iso 0 dist 8.04854 12.4485 9.58356 11.3048 7.84881 14.5198 numMergedOcc 0
18 mol 228 unq 1 iso 0 dist 8.08612 12.5848 9.29522 11.2792 7.86746 14.5737 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.83326 7.51534 8.61709 5.27781 8.69525 10.5939 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 6.19514 11.5275 8.61709 4.12472 8.69525 10.5939 numMergedOcc 0
