0 mol 38 unq 0 iso 0 dist 7.96306 8.3311 7.17698 11.9552 5.09927 8.50003 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 7.96306 5.96514 4.74069 11.9552 5.09927 7.00717 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 9.41952 10.4376 7.80026 14.7889 12.2403 6.23509 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.34804 3.77705 6.44825 8.4702 8.43533 5.88409 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.77421 6.56256 9.90923 5.57551 8.41751 8.19932 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.67429 6.67053 8.33185 14.6922 11.193 9.87354 numMergedOcc 0
6 mol 139 unq 0 iso 0 dist 5.77343 4.37138 7.20542 11.0737 7.77973 8.83962 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 6.20851 9.12839 9.67711 13.457 14.9311 9.68512 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 8.86627 9.82173 5.77035 13.7402 5.54406 8.23162 numMergedOcc 0
9 mol 192 unq 1 iso 0 dist 9.10569 9.52963 5.77035 14.5644 5.54406 8.23162 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 8.40718 12.5259 5.81438 18.2342 10.6524 8.23717 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 8.40718 12.5259 5.81438 16.5874 9.88337 7.98864 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 7.55333 3.69062 6.50586 10.0133 4.51847 7.88986 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 7.55333 3.69062 6.50586 9.16671 10.9814 7.4185 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 7.84215 10.0544 6.75579 8.87165 3.50159 4.97301 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 7.97183 6.96644 6.75579 8.86316 3.50159 4.97301 numMergedOcc 0
16 mol 217 unq 0 iso 0 dist 8.72578 3.59923 6.58871 8.82691 9.16386 6.19602 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 7.47852 11.1052 8.94981 16.9432 10.8002 8.74463 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 6.22332 13.5289 8.94981 16.6103 10.8002 8.74463 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 7.54614 10.2945 8.31266 10.6289 7.27859 9.07313 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 7.38085 3.7218 5.38409 8.77411 4.58591 5.53492 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 5.76796 6.01574 6.24134 6.73396 4.57431 7.73438 numMergedOcc 0
22 mol 286 unq 0 iso 0 dist 8.97304 9.05338 6.64391 17.64 12.1288 8.75926 numMergedOcc 0
