0 mol 19 unq 0 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.18512 6.92532 6.36455 10.1882 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.82074 4.54938 5.03957 8.4674 10.3915 7.67038 5.18512 6.36455 6.92532 10.1882 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.33063 8.7531 7.29309 6.43294 10.1562 5.67502 9.62257 9.96399 7.55695 10.0962 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 9.62257 7.55695 9.96399 10.0962 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 8.26458 7.04044 8.73253 10.3244 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 8.26458 8.73253 7.04044 10.3244 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.66905 10.7229 6.9948 5.08358 8.00777 7.1589 11.2808 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 5.08358 7.1589 8.00777 11.2808 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 6.85062 10.7062 6.63273 5.89022 8.86329 8.71039 11.6142 numMergedOcc 0
9 mol 131 unq 0 iso 1 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 5.89022 8.71039 8.86329 11.6142 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 9.32969 6.92648 9.29384 11.4206 numMergedOcc 0
11 mol 131 unq 1 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.32969 9.29384 6.92648 11.4206 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 7.16148 10.6875 5.49936 9.35627 9.77552 8.28642 13.1536 numMergedOcc 0
13 mol 152 unq 0 iso 1 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 9.35627 8.28642 9.77552 13.1536 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 8.33171 6.56229 5.64555 5.82636 6.2319 9.97732 10.5243 numMergedOcc 0
15 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 8.33171 5.64555 6.56229 5.82636 9.97732 6.2319 10.5243 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.54065 8.87694 5.74635 9.70748 13.8792 14.9058 8.90184 7.20574 6.85302 18.0414 numMergedOcc 0
17 mol 186 unq 0 iso 1 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 8.90184 6.85302 7.20574 18.0414 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 7.80463 8.18714 13.8543 5.28092 8.44861 5.60393 11.3521 numMergedOcc 0
19 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 5.28092 5.60393 8.44861 11.3521 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 11.0628 8.38865 5.4694 12.9778 numMergedOcc 0
21 mol 227 unq 0 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 11.0628 5.4694 8.38865 12.9778 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 11.0628 8.38865 5.4694 13.9676 numMergedOcc 0
23 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 11.0628 5.4694 8.38865 13.9676 numMergedOcc 0
24 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 11.0628 8.38865 5.4694 16.9219 numMergedOcc 0
25 mol 227 unq 2 iso 1 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 11.0628 5.4694 8.38865 16.9219 numMergedOcc 0
26 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 8.2965 10.8081 5.86196 5.99459 6.17052 9.77666 13.0539 numMergedOcc 0
27 mol 248 unq 0 iso 1 dist 7.21521 7.69895 5.55137 8.2965 5.86196 10.8081 5.99459 9.77666 6.17052 13.0539 numMergedOcc 0
