0 mol 8 unq 0 iso 0 dist 8.39908 11.2594 8.68949 20.2668 16.2669 9.00925 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.38298 5.57445 7.34681 9.52568 9.4204 9.26685 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 5.84559 6.18212 7.34681 12.4216 9.4204 9.26685 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.83305 4.44575 8.75001 13.457 10.2713 9.3147 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 9.83305 4.44575 8.75001 8.53244 12.053 9.79426 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.16644 5.16039 9.2922 9.46606 5.2172 9.74556 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.49371 10.6821 5.73235 8.99189 5.22567 7.02854 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 5.05941 10.205 5.73235 8.94097 5.22567 7.02854 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 9.66942 13.076 5.73235 13.5549 5.22567 7.02854 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 7.55765 10.8479 8.68674 11.184 4.74328 6.81741 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 9.907 9.52982 8.078 15.2556 8.96379 7.81042 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 8.91952 6.99545 6.56481 8.2592 5.73608 7.81042 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 5.92115 10.9159 9.52061 10.0509 7.12885 8.34427 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 6.71787 4.24969 9.39389 9.0788 10.8474 8.15549 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.39237 14.8436 6.72718 11.4811 6.12748 7.02662 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 5.91901 5.1382 6.2016 10.0079 5.21255 7.30965 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 5.8391 13.9511 9.52029 13.9093 8.61406 7.00683 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 9.92924 19.252 9.52029 17.5523 8.61406 7.00683 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 8.34367 9.4788 9.24729 15.1033 11.0843 6.88683 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.87704 11.2878 8.86185 7.19903 8.20191 6.00654 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 7.90944 10.4589 7.58554 11.6711 5.94643 9.59937 numMergedOcc 0
21 mol 239 unq 2 iso 0 dist 9.11375 10.978 8.86185 13.4967 8.20191 6.00654 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 6.88579 5.7486 3.67935 10.4751 4.88298 7.58833 numMergedOcc 0
23 mol 249 unq 1 iso 0 dist 6.88579 5.7486 3.67935 9.77197 5.75331 9.04715 numMergedOcc 0
24 mol 249 unq 2 iso 0 dist 7.30848 5.7486 8.00386 10.4751 10.9665 7.58833 numMergedOcc 0
25 mol 249 unq 3 iso 0 dist 7.30848 5.7486 8.00386 9.77197 5.52082 9.04715 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.64956 5.99858 7.25618 6.6688 11.0025 6.08181 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 9.64956 5.99858 7.25618 13.2883 9.46467 7.70189 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.60625 7.6258 5.83342 10.02 6.00343 9.57857 numMergedOcc 0
