0 mol 25 unq 0 iso 0 dist 9.80157 9.40763 12.4427 6.7276 8.23292 5.04899 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 4.4866 8.46313 6.66385 9.46304 10.755 6.72123 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.60438 8.14057 9.18603 7.39819 12.8018 5.83409 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 8.93438 8.13248 6.0901 4.83621 11.1445 7.89459 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.2929 6.61066 6.07331 6.06993 8.93552 4.99221 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.2929 6.3982 5.3967 5.29965 8.35604 5.11551 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 6.17589 6.61066 7.09627 6.06993 6.20658 4.99221 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 6.17589 6.3982 7.10772 5.29965 7.83568 5.11551 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.83241 9.54663 4.80675 6.95124 10.1938 8.54584 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 7.67974 7.21035 4.85077 8.27436 12.503 9.31746 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.17789 5.47189 12.5982 5.48717 10.0005 7.54065 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.9867 8.58465 8.03427 6.37463 10.7452 7.54065 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 8.9867 8.58465 8.03427 5.22923 6.86297 8.87694 numMergedOcc 0
13 mol 186 unq 3 iso 0 dist 8.9867 8.58465 8.03427 10.9291 13.9315 9.70748 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 5.95601 9.67544 5.29674 6.23286 8.0007 9.87838 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 7.73969 6.67907 5.52669 5.81354 6.73134 8.04248 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 7.73969 6.0087 5.27568 11.2678 12.96 8.03456 numMergedOcc 0
17 mol 236 unq 2 iso 0 dist 7.73969 6.0087 5.27568 12.338 10.8312 6.84306 numMergedOcc 0
18 mol 236 unq 3 iso 0 dist 7.73969 6.0087 5.27568 12.431 11.2195 9.99038 numMergedOcc 0
19 mol 236 unq 4 iso 0 dist 7.73969 6.0087 5.27568 8.71933 14.0541 9.78037 numMergedOcc 0
20 mol 236 unq 5 iso 0 dist 7.73969 6.0087 5.27568 5.81354 6.73134 8.35971 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.60879 6.86014 7.44724 4.83355 14.2462 9.7748 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 6.92271 6.86014 5.77904 4.83355 8.35794 9.7748 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 8.62666 5.97073 5.77904 11.2857 8.35794 9.7748 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 4.86518 8.62414 4.7203 12.2316 11.3851 8.44326 numMergedOcc 0
