0 mol 26 unq 0 iso 0 dist 8.6112 6.88695 4.09495 6.29311 6.73259 5.69955 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 9.84346 9.23023 7.17843 16.0647 6.54185 11.9668 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 9.84346 9.23023 7.17843 17.7914 9.68502 16.6921 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 9.64281 8.89481 14.0364 5.12275 6.20553 12.2216 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.72434 7.91337 12.3603 6.00304 6.13391 13.1537 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 7.72434 6.40546 6.0968 6.00304 6.13391 6.98934 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.43293 7.04864 5.89379 4.63594 9.27951 8.93905 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.12336 9.50322 6.26797 11.3259 7.34386 12.2715 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 7.12336 5.82404 9.73435 11.3259 7.34386 15.7259 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 7.10223 7.26897 10.2589 7.86748 9.2042 10.2655 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 9.04757 9.63873 4.12904 4.9482 5.80513 8.38738 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 5.29561 9.56029 4.43222 8.67887 9.49955 13.0306 numMergedOcc 0
12 mol 232 unq 1 iso 0 dist 5.29561 9.56029 4.43222 7.67378 7.03236 9.95343 numMergedOcc 0
13 mol 237 unq 0 iso 0 dist 9.18638 9.42743 15.4677 6.08522 9.74081 12.2153 numMergedOcc 0
14 mol 237 unq 1 iso 0 dist 9.18638 9.5822 4.37008 6.08522 9.74081 7.42587 numMergedOcc 0
15 mol 251 unq 0 iso 0 dist 8.89433 8.39644 12.3975 12.9657 9.08038 18.7407 numMergedOcc 0
16 mol 251 unq 1 iso 0 dist 8.89433 9.228 7.37036 9.21735 8.38382 12.3353 numMergedOcc 0
17 mol 251 unq 2 iso 0 dist 8.89433 7.4878 8.64172 9.21735 8.38382 8.01198 numMergedOcc 0
