0 mol 30 unq 0 iso 0 dist 5.5814 8.51496 8.32637 7.5925 6.88974 10.0692 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.44909 9.45566 4.55437 11.3037 9.96265 12.7039 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 9.44909 9.45566 4.55437 10.2017 9.70459 13.31 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 9.44909 9.45566 4.55437 6.10468 7.78905 10.53 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 4.24815 4.50572 10.3592 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 5.11161 7.95871 11.2341 numMergedOcc 0
6 mol 205 unq 0 iso 0 dist 6.752 7.23557 5.8535 4.20051 5.4913 8.86587 numMergedOcc 0
7 mol 205 unq 1 iso 0 dist 5.4913 8.86587 5.8535 4.20051 6.752 7.23557 numMergedOcc 0
8 mol 206 unq 0 iso 0 dist 9.11298 9.7402 4.51687 8.70851 9.73892 13.3242 numMergedOcc 0
9 mol 206 unq 1 iso 0 dist 9.11298 9.7402 4.51687 3.85697 8.46319 10.263 numMergedOcc 0
10 mol 206 unq 2 iso 0 dist 7.42904 9.7402 4.62682 3.85697 9.36079 10.263 numMergedOcc 0
11 mol 236 unq 0 iso 0 dist 6.11137 8.37813 9.52712 5.26871 5.66569 10.483 numMergedOcc 0
12 mol 236 unq 1 iso 0 dist 6.11137 9.25988 4.79879 5.26871 5.66569 9.66937 numMergedOcc 0
13 mol 236 unq 2 iso 0 dist 7.89744 8.37813 14.1812 8.96137 8.6417 17.0201 numMergedOcc 0
14 mol 236 unq 3 iso 0 dist 7.89744 9.25988 4.32284 8.96137 8.6417 12.7422 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 7.15815 9.69704 5.78064 7.05365 5.89502 9.9605 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.26542 8.42076 13.2859 3.73926 9.53313 10.1363 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.26542 8.42076 13.2859 3.73926 9.53313 10.1363 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.26542 8.42076 13.2859 3.73926 9.53313 10.1363 numMergedOcc 0
