0 mol 19 unq 0 iso 0 dist 9.47909 8.15772 7.14945 12.5028 7.42956 6.73409 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 9.47909 6.57145 6.50337 12.5028 7.42956 11.3811 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 8.63694 12.1928 9.39046 8.99446 5.11883 6.38533 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.84552 14.959 8.80127 10.6642 4.87192 4.33963 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.84552 9.85198 6.48457 10.6642 4.87192 11.2106 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.93484 7.43519 8.79583 10.0226 9.82368 10.113 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.00217 14.94 9.18809 14.427 5.44028 8.53692 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.72121 7.35867 7.37948 5.17882 9.29087 8.1837 numMergedOcc 0
8 mol 107 unq 0 iso 0 dist 6.99676 13.5052 7.02709 8.38066 6.93417 8.71052 numMergedOcc 0
9 mol 107 unq 1 iso 0 dist 6.99676 13.5052 7.02709 8.84464 6.36246 8.38463 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.43445 6.24736 8.20715 11.6071 8.81779 7.61939 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 7.43445 5.81718 6.16081 11.6071 8.81779 10.326 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 7.82186 5.74096 8.5457 10.5555 9.32166 9.756 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 7.82186 8.58414 6.7928 10.5555 9.32166 11.6877 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 7.82186 12.5923 7.59189 10.5555 9.32166 14.5665 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 5.85006 11.8343 8.5457 15.1558 9.32166 9.756 numMergedOcc 0
16 mol 120 unq 4 iso 0 dist 5.85006 8.40633 6.7928 15.1558 9.32166 11.6877 numMergedOcc 0
17 mol 120 unq 5 iso 0 dist 5.85006 6.60352 7.59189 15.1558 9.32166 14.5665 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 7.80955 8.36842 9.48488 7.6506 6.00293 5.45934 numMergedOcc 0
19 mol 162 unq 1 iso 0 dist 6.66396 7.13269 9.48488 7.2417 6.00293 5.45934 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 9.49617 13.7273 7.23959 8.43505 5.96238 5.54129 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 9.49617 13.7273 7.23959 11.501 7.85966 5.28092 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 9.15508 4.25942 7.23959 6.01148 5.96238 5.54129 numMergedOcc 0
23 mol 205 unq 3 iso 0 dist 9.15508 4.25942 7.23959 8.17894 7.85966 5.28092 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 5.46236 5.81338 6.49441 7.10597 9.05339 5.25555 numMergedOcc 0
