0 mol 39 unq 0 iso 0 dist 7.92518 6.8989 6.13351 9.22231 6.96883 6.24515 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 7.92518 6.8989 6.13351 5.1736 5.88718 6.47855 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.95472 9.80375 6.21128 15.1452 9.95354 6.42834 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.79061 5.00474 6.14542 6.96647 6.15714 7.10439 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.47162 10.5011 8.4701 12.8816 5.92399 8.10446 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.73179 7.75939 7.46095 10.6345 4.00608 7.03226 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.26763 9.40625 9.77084 8.17967 4.1859 9.63599 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.26763 9.40625 9.77084 10.2454 5.95598 8.01743 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 7.79538 8.32896 9.09458 10.0611 5.72646 7.87237 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 6.30814 9.40625 6.5551 8.17967 8.68431 9.63599 numMergedOcc 0
10 mol 79 unq 4 iso 0 dist 6.30814 9.40625 6.5551 10.2454 4.47084 8.01743 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 7.95751 4.1584 7.42144 6.27859 10.9801 4.25566 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 7.95751 4.1584 7.42144 6.28535 6.88786 6.63171 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 7.95751 4.1584 7.42144 10.1966 9.63622 7.67273 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 5.39002 4.1584 6.27658 6.27859 10.0279 4.25566 numMergedOcc 0
15 mol 141 unq 4 iso 0 dist 5.39002 4.1584 6.27658 6.28535 6.8633 6.63171 numMergedOcc 0
16 mol 141 unq 5 iso 0 dist 5.39002 4.1584 6.27658 10.1966 10.8428 7.67273 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 8.99128 11.7393 9.16358 11.4383 4.48516 9.80845 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 8.99128 10.7516 9.24038 17.4107 12.0485 9.0529 numMergedOcc 0
19 mol 155 unq 2 iso 0 dist 8.99128 10.7516 9.24038 11.4383 4.48516 7.55196 numMergedOcc 0
20 mol 159 unq 0 iso 0 dist 9.45909 17.2892 9.35202 13.5706 4.27525 5.9032 numMergedOcc 0
21 mol 159 unq 1 iso 0 dist 9.45909 17.2892 9.35202 18.6554 10.5255 8.52082 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 6.65077 7.07871 9.24936 7.87044 4.18074 9.82588 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 8.66659 13.1985 9.38222 13.1967 5.77779 6.8972 numMergedOcc 0
