0 mol 17 unq 0 iso 0 dist 7.9118 8.35273 9.78953 7.41835 9.65377 11.2032 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.82919 4.74574 9.25177 13.4133 9.23605 15.9991 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 4.4866 9.02073 6.95966 3.88133 6.71467 11.774 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.31934 8.1717 7.31044 5.56678 9.65672 6.35779 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 9.42975 7.47607 13.0684 5.07643 6.35789 7.25138 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 9.67476 9.88566 8.43533 8.54414 8.34804 8.4702 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.68303 6.82511 5.08181 3.95228 5.73908 5.57551 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.09587 9.06957 12.7617 3.80683 7.25561 12.6801 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.09587 9.06957 12.7617 6.77296 8.97499 15.5099 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 9.75856 9.57352 14.3183 11.3789 5.74637 18.1014 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 5.88484 8.7474 5.34596 7.85134 7.15869 12.2092 numMergedOcc 0
11 mol 123 unq 1 iso 0 dist 5.88484 9.54257 6.41552 7.85134 7.15869 8.30974 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.17789 8.94445 14.3694 6.59916 5.31333 14.1367 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 6.25412 8.32786 5.50882 7.34037 9.26313 11.2757 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 6.25412 5.09952 7.27142 7.34037 9.26313 8.69334 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 5.16772 7.13397 11.9315 11.113 8.55211 17.4567 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 5.16772 5.33278 8.79837 11.113 8.55211 14.7696 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.78501 7.51951 15.5294 10.204 9.36806 16.7099 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 8.78501 7.51951 15.5294 13.1038 7.51446 20.4771 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.92271 7.34927 5.11865 11.7966 6.70414 5.11998 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.62666 7.54315 5.11865 7.00586 6.70414 5.11998 numMergedOcc 0
