0 mol 73 unq 0 iso 0 dist 8.93939 6.04163 4.60412 11.4785 6.96647 5.64598 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.28357 8.51543 4.80624 8.36307 10.6345 6.21982 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.28353 8.25679 5.35188 7.09701 11.868 9.10189 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 8.73544 5.11612 6.37222 5.39389 10.3405 7.76729 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 8.93793 5.22628 6.51536 9.16391 15.9551 9.66954 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 8.93793 5.22628 6.51536 5.26498 10.288 7.64585 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 6.25968 8.75736 12.0992 9.88404 10.5922 8.94837 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 6.25968 6.32178 4.8408 9.88404 10.5922 7.77454 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 9.16949 6.40792 9.7827 9.78198 14.5668 8.19104 numMergedOcc 0
9 mol 140 unq 1 iso 0 dist 8.65294 6.40792 5.80354 9.78198 11.4613 8.19104 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.07154 9.0847 16.8649 12.6562 19.0516 9.13561 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.90753 8.80581 5.32364 5.98221 9.23089 6.93764 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 6.23903 9.09322 8.16006 6.93732 8.55287 7.01383 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.83024 5.5581 6.21569 4.70359 11.8063 9.59333 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 7.61854 5.99137 7.45579 4.47231 10.3387 5.34718 numMergedOcc 0
15 mol 240 unq 0 iso 0 dist 8.24704 7.0935 5.36005 6.65921 10.4148 6.15305 numMergedOcc 0
16 mol 240 unq 1 iso 0 dist 8.24704 7.0935 5.36005 10.6145 11.1255 8.0951 numMergedOcc 0
17 mol 240 unq 2 iso 0 dist 8.24704 7.12912 4.4564 6.65921 10.4148 7.03489 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 8.82741 9.39147 7.07529 11.562 8.75924 8.61104 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 4.88105 7.70059 7.07529 7.2163 8.75924 8.61104 numMergedOcc 0
20 mol 243 unq 2 iso 0 dist 9.01318 7.70059 4.67674 7.2163 10.2338 8.61104 numMergedOcc 0
