0 mol 24 unq 0 iso 0 dist 4.87192 7.18124 4.21283 7.19357 9.65174 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 4.87192 6.47026 4.97191 7.19357 9.65174 10.2171 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.37857 7.49391 6.5312 4.23443 6.31089 9.74532 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 4.7978 7.49391 4.45307 4.23443 7.07502 9.74532 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 8.08195 8.47637 14.4182 5.4811 6.31089 12.052 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 5.78587 8.47637 9.25982 5.4811 8.48468 12.052 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 5.01135 7.90364 5.15398 3.3303 5.54554 9.93675 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 5.01135 7.90364 5.15398 5.54746 6.84514 5.54472 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 5.01135 7.90364 5.15398 8.51393 8.95402 12.0538 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 5.20384 7.78518 5.15603 3.41312 5.5232 9.764 numMergedOcc 0
10 mol 48 unq 4 iso 0 dist 5.20384 7.78518 5.15603 5.76412 7.05619 5.37439 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.31442 6.48394 3.76156 3.93249 6.62879 6.79423 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.00564 9.43843 14.3481 7.59896 5.72961 17.0286 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 6.00564 7.67463 4.06365 7.59896 5.72961 4.18248 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 6.63857 6.34004 4.26808 5.39108 4.72339 4.91212 numMergedOcc 0
15 mol 111 unq 1 iso 0 dist 6.63857 6.34004 4.26808 7.4253 6.48902 9.896 numMergedOcc 0
16 mol 111 unq 2 iso 0 dist 6.63857 6.34004 4.26808 13.201 7.21505 9.34782 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 8.34503 9.8911 4.9293 4.86495 4.48699 7.53342 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 5.70499 7.02043 4.9293 3.38209 4.48699 7.53342 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.88404 8.56285 14.1697 6.0189 5.4206 10.3516 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 8.88404 8.56285 14.1697 11.0197 9.56763 12.6128 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 6.00293 9.67872 5.21512 5.77936 9.56342 10.7246 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 7.85966 8.42716 10.2944 12.2139 5.19567 15.2625 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 7.81987 8.89873 8.20635 3.28958 6.31092 9.47092 numMergedOcc 0
