0 mol 34 unq 0 iso 0 dist 8.16769 6.9246 6.016 13.7564 7.41194 7.882 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.16769 6.9246 6.016 8.50453 7.76895 8.38156 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.50453 6.9246 8.38156 13.7564 13.0804 7.882 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.50453 6.9246 8.38156 8.16769 7.76895 6.016 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 8.50453 13.6582 7.08559 20.915 12.6781 8.63635 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 6.74716 8.09738 8.38156 15.6095 13.0804 7.882 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 6.74716 8.09738 8.38156 10.7547 7.76895 6.016 numMergedOcc 0
7 mol 34 unq 7 iso 0 dist 6.74716 9.18464 7.08559 17.2602 12.6781 8.63635 numMergedOcc 0
8 mol 34 unq 8 iso 0 dist 5.73257 6.65242 8.63635 9.56266 12.6781 7.08559 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 7.95972 8.94836 7.93683 10.3283 4.64409 9.37102 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 7.95972 8.94836 7.93683 13.4116 6.08893 8.8184 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 7.95972 10.6185 6.7272 10.3283 4.64409 5.4605 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 7.95972 10.6185 6.7272 13.4116 6.08893 6.1906 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.55297 11.0797 7.54341 13.8131 6.83062 4.26972 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.13287 9.1255 7.05845 15.9433 10.2334 8.18023 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 9.70106 4.33327 7.29911 9.47305 5.68272 5.36254 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 4.80429 5.36933 8.65196 6.38872 6.04429 5.461 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 6.38872 5.36933 5.461 4.80429 6.04429 8.65196 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 7.89694 6.27279 9.59426 5.66171 4.63933 8.61306 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 5.66171 6.27279 8.61306 7.89694 4.63933 9.59426 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 7.54327 16.363 9.11572 17.8098 12.4341 9.49229 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 7.54327 16.363 9.11572 16.3034 10.9755 7.20293 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.07397 13.4501 7.39547 10.8359 9.50847 7.24334 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 8.91763 8.28104 7.39547 14.7693 9.50847 7.24334 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 6.29389 12.978 8.5613 11.5096 5.69506 5.7791 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 9.50619 9.31424 5.7791 10.3067 5.69506 8.5613 numMergedOcc 0
