0 mol 68 unq 0 iso 0 dist 9.7662 14.4889 8.06267 12.4542 3.20411 5.88334 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 6.7739 9.51008 8.06267 8.3318 3.20411 5.88334 numMergedOcc 0
2 mol 68 unq 2 iso 0 dist 8.3318 9.51008 5.88334 6.7739 3.20411 8.06267 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.27633 12.4767 9.07128 9.43062 7.57886 6.65615 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 8.48433 4.48869 9.06601 9.30841 8.72808 5.98809 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 8.62135 5.90364 6.73617 12.0865 3.6066 9.03544 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 8.78397 13.1754 6.79114 12.3356 6.01609 7.59457 numMergedOcc 0
7 mol 169 unq 0 iso 0 dist 8.05059 5.19746 8.34216 11.1431 12.9271 9.37946 numMergedOcc 0
8 mol 169 unq 1 iso 0 dist 8.05059 5.19746 8.34216 10.0414 5.14059 9.13646 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 4.77438 5.25981 9.1139 5.73344 5.97875 9.20677 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 5.73344 5.25981 9.20677 4.77438 5.97875 9.1139 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 9.1526 9.56234 9.84566 14.1692 10.045 8.22001 numMergedOcc 0
12 mol 231 unq 0 iso 0 dist 8.27156 9.0084 9.9868 12.2241 13.1222 7.3268 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 9.69133 4.90814 8.25985 13.2039 6.61868 9.27788 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 9.137 9.56248 5.77511 18.3819 13.6905 9.19385 numMergedOcc 0
15 mol 253 unq 1 iso 0 dist 9.137 9.56248 5.77511 12.9579 5.35859 7.14243 numMergedOcc 0
16 mol 253 unq 2 iso 0 dist 9.137 9.56248 5.77511 8.0127 3.10832 7.81382 numMergedOcc 0
17 mol 253 unq 3 iso 0 dist 9.137 16.4324 9.27311 23.195 17.0369 8.94786 numMergedOcc 0
18 mol 253 unq 4 iso 0 dist 9.137 16.4324 9.27311 18.3819 13.6905 9.1927 numMergedOcc 0
19 mol 253 unq 5 iso 0 dist 9.137 16.4324 9.27311 12.9579 5.35859 9.60694 numMergedOcc 0
20 mol 253 unq 6 iso 0 dist 8.0127 9.56248 7.81382 18.3819 15.953 9.19385 numMergedOcc 0
21 mol 253 unq 7 iso 0 dist 8.0127 9.56248 7.81382 12.9579 6.37556 7.14243 numMergedOcc 0
22 mol 253 unq 8 iso 0 dist 8.0127 9.56248 7.81382 9.137 3.10832 5.77511 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 8.75224 13.3027 8.25897 11.9293 4.6865 9.18798 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 8.23254 4.54581 6.09853 10.7971 5.57024 8.12739 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 7.89784 12.9146 9.96374 12.1311 8.12358 5.41432 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 7.83983 13.1936 9.96374 14.0185 8.12358 5.41432 numMergedOcc 0
