0 mol 26 unq 0 iso 0 dist 9.08976 8.06929 4.80984 4.76147 9.16962 5.69955 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.08976 8.06929 4.80984 12.2574 10.9838 8.6385 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.94949 8.41282 4.96642 6.08005 7.00648 9.63263 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.13638 8.98939 5.36808 8.89982 10.5905 7.27383 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.46478 8.64047 13.7907 13.4816 14.6253 8.00777 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.46478 8.64047 13.7907 12.1235 13.9302 7.1589 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.20639 7.01303 4.76302 4.76162 11.0637 8.86674 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.71611 6.97579 10.8642 10.5394 13.8038 6.69515 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 9.71611 6.97579 10.8642 12.1215 18.072 7.86572 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 7.1093 6.97579 8.00633 10.5394 6.93652 6.69515 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 7.1093 6.97579 8.00633 12.1215 11.8898 7.86572 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 7.55974 9.67802 6.20673 18.5326 15.2392 9.83476 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 8.03194 7.84953 8.21424 6.66456 12.0819 6.29367 numMergedOcc 0
13 mol 218 unq 1 iso 0 dist 8.03194 7.84953 8.21424 5.09263 8.53199 5.76954 numMergedOcc 0
14 mol 218 unq 2 iso 0 dist 8.03194 7.84953 8.21424 10.1782 13.6555 9.20961 numMergedOcc 0
15 mol 218 unq 3 iso 0 dist 8.03194 4.57726 10.1198 6.66456 12.0819 8.86175 numMergedOcc 0
16 mol 218 unq 4 iso 0 dist 8.03194 4.57726 10.1198 5.09263 8.53199 6.29511 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.94219 7.10883 7.15437 6.7444 9.88956 6.6561 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 6.553 9.8716 7.54397 12.2372 6.16063 9.007 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 6.5097 9.8716 8.71704 12.2372 10.3946 9.007 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 6.41474 7.92391 8.12927 4.97892 9.02188 7.71657 numMergedOcc 0
