0 mol 18 unq 0 iso 0 dist 9.4649 8.1366 16.059 10.107 14.9732 6.01053 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.45965 8.1366 12.619 10.107 16.0384 6.01053 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.62492 7.53599 14.4699 11.4329 20.9654 9.4228 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 8.67226 7.53599 8.39164 11.4329 17.1936 9.4228 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.75708 6.35752 12.3421 5.53115 10.1147 5.62694 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.12919 8.32098 9.50386 5.60367 12.7796 7.19581 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 9.42467 6.85803 6.62209 5.45706 13.9785 9.13454 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 9.13914 9.83155 3.91877 9.07226 8.65108 5.50236 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 9.08229 7.71402 11.7541 12.6052 17.9049 6.85239 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 9.08229 7.71402 11.7541 12.4033 15.1956 5.72735 numMergedOcc 0
10 mol 167 unq 2 iso 0 dist 7.99057 7.71402 13.2159 12.6052 19.2266 6.85239 numMergedOcc 0
11 mol 167 unq 3 iso 0 dist 7.99057 7.71402 13.2159 12.4033 18.7619 5.72735 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 9.19569 6.58855 5.98157 5.3864 11.5885 6.21943 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.51189 8.13982 10.9895 4.70216 10.799 9.37545 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.51189 8.13982 10.9895 6.13422 13.8056 6.02579 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 8.90607 6.28518 8.46949 8.89771 12.7808 9.65041 numMergedOcc 0
16 mol 240 unq 0 iso 0 dist 8.96064 9.67363 9.49635 12.2549 14.5006 5.31041 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 4.92572 6.77322 8.8144 10.6994 14.983 9.29422 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 7.15917 6.27395 4.23271 10.7661 12.3201 8.13183 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 7.15917 6.27395 4.23271 11.3436 10.5495 6.78929 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 8.07113 9.00616 12.3982 4.63237 8.65236 9.00426 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 8.07113 6.35699 9.84177 4.63237 8.65236 8.19348 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 6.58667 7.89017 11.5085 11.9195 14.5837 6.64082 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 6.01542 7.89017 3.5373 11.9195 9.91594 6.64082 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 9.33149 6.02774 8.06603 7.8112 9.86098 7.97266 numMergedOcc 0
25 mol 285 unq 1 iso 0 dist 9.33149 6.02774 8.06603 13.2558 10.2326 8.89057 numMergedOcc 0
