0 mol 20 unq 0 iso 0 dist 7.77627 6.29581 3.61632 16.0555 9.0017 10.0528 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.77627 8.39179 4.32143 16.0555 9.0017 11.1324 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.12382 5.21143 3.61632 12.1601 9.0017 10.0528 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.12382 5.75338 4.32143 12.1601 9.0017 11.1324 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.94809 6.27321 13.6446 10.2302 8.32093 14.2533 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.58689 5.20528 6.64001 3.93024 8.87977 6.46549 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.82214 5.20528 4.58085 3.93024 9.43843 6.46549 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 7.82214 5.20528 4.58085 14.3352 7.67463 10.3185 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 9.96357 9.63085 5.06665 7.75948 9.8911 7.84546 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 5.7306 8.85675 11.9741 15.1721 9.82522 21.3436 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 5.7306 8.85675 11.9741 11.1637 8.50773 19.3526 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 7.87925 8.41708 4.04186 9.15827 9.64977 8.72743 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 6.18166 9.3055 5.47413 5.15513 9.10527 9.15715 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.254 6.32542 8.16279 12.0078 9.66947 15.0916 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 6.254 6.32542 8.16279 3.30102 5.69652 5.59832 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 8.57319 5.88992 9.12199 5.14513 9.04156 8.4493 numMergedOcc 0
16 mol 270 unq 0 iso 0 dist 8.19788 6.97639 11.4433 10.3541 6.85081 15.899 numMergedOcc 0
