0 mol 5 unq 0 iso 0 dist 7.0627 8.59201 7.56229 8.35174 5.69239 3.14155 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.62938 4.07888 8.87945 5.17677 7.64769 6.98653 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.62938 4.07888 8.87945 8.12453 8.68577 10.4477 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.62938 4.07888 8.87945 5.58988 9.70883 9.22937 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 9.06004 9.8286 4.64187 6.82054 4.78873 3.60218 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.42645 8.56267 7.16844 7.49995 4.46067 3.73834 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 6.72584 9.40112 5.35861 11.4698 7.50925 3.62753 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 6.72584 9.40112 5.35861 10.6239 6.96722 3.65203 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.25594 9.40112 8.61641 10.6239 7.61085 3.65203 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.93999 6.29677 9.98772 4.03393 9.31385 3.28697 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 8.93999 6.29677 9.98772 8.26567 6.98791 4.5296 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 7.99127 9.42107 6.60366 10.7652 4.3855 5.94217 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 4.80508 5.65593 9.44964 5.73092 7.97228 5.70869 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 6.24232 4.562 7.0961 8.3462 5.86767 6.06538 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 6.24232 4.562 7.0961 10.7396 5.28353 10.919 numMergedOcc 0
15 mol 168 unq 2 iso 0 dist 6.24232 14.2661 8.21227 8.3462 5.86767 9.99868 numMergedOcc 0
16 mol 168 unq 3 iso 0 dist 6.24232 14.2661 8.21227 10.7396 5.28353 6.91388 numMergedOcc 0
17 mol 168 unq 4 iso 0 dist 6.24232 9.56342 6.53038 8.3462 5.86767 10.7133 numMergedOcc 0
18 mol 168 unq 5 iso 0 dist 6.24232 9.56342 6.53038 10.7396 5.28353 6.65321 numMergedOcc 0
19 mol 168 unq 6 iso 0 dist 8.1953 14.7953 7.0961 13.7178 5.86767 6.06538 numMergedOcc 0
20 mol 168 unq 7 iso 0 dist 8.1953 14.7953 7.0961 9.33959 5.28353 10.919 numMergedOcc 0
21 mol 168 unq 8 iso 0 dist 8.1953 9.96378 8.21227 13.7178 5.86767 9.99868 numMergedOcc 0
22 mol 168 unq 9 iso 0 dist 8.1953 9.96378 8.21227 9.33959 5.28353 6.91388 numMergedOcc 0
23 mol 168 unq 10 iso 0 dist 8.1953 6.11883 6.53038 13.7178 5.86767 10.7133 numMergedOcc 0
24 mol 168 unq 11 iso 0 dist 8.1953 6.11883 6.53038 9.33959 5.28353 6.65321 numMergedOcc 0
25 mol 169 unq 0 iso 0 dist 9.03941 8.67769 7.65903 9.52806 5.10589 3.18152 numMergedOcc 0
26 mol 169 unq 1 iso 0 dist 8.80004 14.4693 8.6961 9.55863 5.10589 9.60496 numMergedOcc 0
27 mol 169 unq 2 iso 0 dist 8.80004 14.4693 8.6961 4.68959 4.63336 10.5251 numMergedOcc 0
28 mol 169 unq 3 iso 0 dist 8.80004 14.4693 8.6961 5.99532 6.10715 8.67112 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 9.06347 13.4593 4.45769 4.86105 5.10542 9.23342 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 9.06347 16.6224 8.99961 4.86105 5.10542 11.7699 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 7.00278 6.59905 7.33774 6.46602 8.32259 4.7839 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 7.00278 6.59905 7.33774 8.23616 9.93489 4.05102 numMergedOcc 0
33 mol 204 unq 2 iso 0 dist 8.50234 6.76479 6.39122 8.70089 8.54737 4.7839 numMergedOcc 0
34 mol 204 unq 3 iso 0 dist 8.50234 6.76479 6.39122 5.77393 7.64057 4.05102 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 7.81831 6.3054 6.50654 8.36583 7.96338 4.84709 numMergedOcc 0
36 mol 214 unq 1 iso 0 dist 7.81831 6.3054 6.50654 5.61704 7.42759 4.16963 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 6.94666 10.8186 7.73438 8.56197 5.88958 10.5542 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 6.94666 10.8186 7.73438 12.7469 7.78121 12.5361 numMergedOcc 0
