0 mol 24 unq 0 iso 0 dist 7.84552 8.3964 3.4435 10.0962 7.18124 7.85986 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.84552 8.3964 3.4435 8.56474 6.47026 4.30252 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 8.57551 7.96312 5.92112 13.1291 9.52155 11.3725 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 8.57551 7.96312 5.92112 9.11983 9.16319 9.69276 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 9.32506 7.67129 5.92112 16.7181 9.52155 11.3725 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 9.32506 7.67129 5.92112 13.5691 9.16319 9.69276 numMergedOcc 0
6 mol 29 unq 0 iso 0 dist 5.94216 9.19374 11.1283 6.83089 8.43763 15.5083 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 7.75449 8.90581 6.37795 4.83638 9.13786 12.7096 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 7.75449 8.90581 6.37795 5.2103 8.56807 9.94082 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 8.22018 9.79863 13.3912 7.31044 5.83263 15.3966 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 9.25631 5.55574 12.2845 5.04771 7.73753 9.50826 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.96872 8.83135 6.64001 9.99421 8.87977 6.46549 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.70907 7.13064 5.39918 9.6722 6.9447 5.56839 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.70907 7.8962 9.73503 9.6722 6.9447 7.83506 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.07685 8.07946 6.03833 5.34159 9.56702 7.20362 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 7.80955 9.31025 8.06906 7.86779 9.67872 5.67088 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 7.93307 9.31025 15.1574 10.5848 8.70516 16.504 numMergedOcc 0
17 mol 162 unq 2 iso 0 dist 6.66396 8.54006 6.76865 12.3596 9.67872 12.4379 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 5.67457 4.88303 4.53585 4.75805 6.03495 5.12964 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 9.49617 6.23057 3.5693 13.1148 8.42716 9.17562 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 9.15508 5.63477 9.6084 3.50159 8.42716 5.59832 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 8.54088 5.63477 8.16279 11.2784 9.66947 15.0916 numMergedOcc 0
22 mol 205 unq 3 iso 0 dist 8.54088 5.63477 8.16279 3.50159 5.69652 5.59832 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 7.5725 8.85051 6.78617 4.45276 8.89873 12.4872 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 9.2861 8.85979 10.583 5.66551 8.50251 11.9568 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 7.7033 8.51736 3.63667 6.4179 5.3772 8.31526 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 7.7033 8.51736 3.63667 11.4354 7.59138 7.08328 numMergedOcc 0
