0 mol 36 unq 0 iso 0 dist 8.9566 8.79119 4.10339 5.57356 5.83354 5.19317 numMergedOcc 0
1 mol 36 unq 0 iso 1 dist 4.10339 8.79119 8.9566 5.19317 5.83354 5.57356 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 9.94012 6.29584 5.85076 15.1412 8.39046 8.96878 numMergedOcc 0
3 mol 86 unq 0 iso 1 dist 5.85076 6.29584 9.94012 8.96878 8.39046 15.1412 numMergedOcc 0
4 mol 86 unq 1 iso 0 dist 9.94012 6.29584 5.85076 9.27344 8.39947 7.68813 numMergedOcc 0
5 mol 86 unq 1 iso 1 dist 5.85076 6.29584 9.94012 7.68813 8.39947 9.27344 numMergedOcc 0
6 mol 86 unq 2 iso 0 dist 7.18799 7.5835 8.4254 8.79483 9.62655 8.47281 numMergedOcc 0
7 mol 86 unq 2 iso 1 dist 8.4254 7.5835 7.18799 8.47281 9.62655 8.79483 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 7.76707 5.54416 7.63425 8.37794 9.86842 12.9585 numMergedOcc 0
9 mol 123 unq 0 iso 1 dist 7.63425 5.54416 7.76707 12.9585 9.86842 8.37794 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 5.86949 8.87503 6.72591 6.33907 9.71692 7.50382 numMergedOcc 0
11 mol 148 unq 0 iso 1 dist 6.72591 8.87503 5.86949 7.50382 9.71692 6.33907 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 5.84971 8.95308 6.80192 6.43607 9.73708 7.48524 numMergedOcc 0
13 mol 150 unq 0 iso 1 dist 6.80192 8.95308 5.84971 7.48524 9.73708 6.43607 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 3.87901 4.62884 5.04534 9.24409 8.2197 6.58447 numMergedOcc 0
15 mol 165 unq 0 iso 1 dist 5.04534 4.62884 3.87901 6.58447 8.2197 9.24409 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 9.0757 17.1241 9.39563 16.3549 9.45847 3.95306 numMergedOcc 0
17 mol 184 unq 0 iso 1 dist 9.39563 17.1241 9.0757 3.95306 9.45847 16.3549 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 9.0757 17.1241 9.39563 6.55123 7.895 17.0877 numMergedOcc 0
19 mol 184 unq 1 iso 1 dist 9.39563 17.1241 9.0757 17.0877 7.895 6.55123 numMergedOcc 0
20 mol 184 unq 2 iso 0 dist 9.0757 13.3933 7.51045 16.3549 9.45847 9.14602 numMergedOcc 0
21 mol 184 unq 2 iso 1 dist 7.51045 13.3933 9.0757 9.14602 9.45847 16.3549 numMergedOcc 0
22 mol 184 unq 3 iso 0 dist 9.0757 13.3933 7.51045 6.55123 7.895 13.1965 numMergedOcc 0
23 mol 184 unq 3 iso 1 dist 7.51045 13.3933 9.0757 13.1965 7.895 6.55123 numMergedOcc 0
24 mol 184 unq 2 iso 0 dist 9.39563 6.72547 7.51045 3.95306 9.45847 9.14602 numMergedOcc 0
25 mol 184 unq 2 iso 1 dist 7.51045 6.72547 9.39563 9.14602 9.45847 3.95306 numMergedOcc 0
26 mol 184 unq 3 iso 0 dist 9.39563 6.72547 7.51045 17.0877 7.895 13.1965 numMergedOcc 0
27 mol 184 unq 3 iso 1 dist 7.51045 6.72547 9.39563 13.1965 7.895 17.0877 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 7.42784 5.89206 6.11123 10.5635 8.23246 4.84006 numMergedOcc 0
29 mol 220 unq 0 iso 1 dist 6.11123 5.89206 7.42784 4.84006 8.23246 10.5635 numMergedOcc 0
30 mol 254 unq 0 iso 0 dist 9.26382 5.457 9.73281 12.2374 7.53352 14.9316 numMergedOcc 0
31 mol 254 unq 0 iso 1 dist 9.73281 5.457 9.26382 14.9316 7.53352 12.2374 numMergedOcc 0
32 mol 254 unq 1 iso 0 dist 9.26382 5.457 9.73281 8.99253 7.80793 13.1153 numMergedOcc 0
33 mol 254 unq 1 iso 1 dist 9.73281 5.457 9.26382 13.1153 7.80793 8.99253 numMergedOcc 0
34 mol 276 unq 0 iso 0 dist 5.71066 11.1947 9.69468 9.16059 9.68846 8.22334 numMergedOcc 0
35 mol 276 unq 0 iso 1 dist 9.69468 11.1947 5.71066 8.22334 9.68846 9.16059 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 9.82337 4.80485 6.3448 14.0912 8.3815 11.5049 numMergedOcc 0
37 mol 283 unq 0 iso 1 dist 6.3448 4.80485 9.82337 11.5049 8.3815 14.0912 numMergedOcc 0
38 mol 283 unq 1 iso 0 dist 9.82337 4.80485 6.3448 10.1502 7.13925 5.47552 numMergedOcc 0
39 mol 283 unq 1 iso 1 dist 6.3448 4.80485 9.82337 5.47552 7.13925 10.1502 numMergedOcc 0
