0 mol 38 unq 0 iso 0 dist 9.49676 7.98333 12.6215 9.70612 16.3301 5.39129 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 9.49676 7.98333 12.6215 6.46781 11.1811 5.29179 numMergedOcc 0
2 mol 38 unq 2 iso 0 dist 9.49676 7.98333 12.6215 8.19077 5.79134 9.58231 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.48969 9.62895 10.5752 6.6657 5.16403 7.20074 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 7.03751 8.29508 7.72419 7.74108 5.39888 5.83044 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 8.69068 8.84888 14.2308 5.45787 4.93762 12.692 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 8.36172 7.67702 11.3462 7.2461 6.16247 12.3557 numMergedOcc 0
7 mol 110 unq 1 iso 0 dist 8.36172 7.67702 11.3462 9.26333 5.92996 11.0242 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.31927 9.76171 12.0548 9.96969 5.91353 8.71599 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.59311 9.18505 13.9116 8.94909 14.4095 6.73114 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.22456 9.18505 15.5016 8.94909 17.145 6.73114 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 5.7232 9.18505 4.70999 8.94909 5.37072 6.73114 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.30966 9.59193 8.81393 9.37459 14.6591 13.2016 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.30966 9.59193 8.81393 9.0847 12.2051 14.0443 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 8.30966 9.59193 8.81393 6.00061 9.67332 7.99896 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 8.30966 9.59193 8.81393 8.33302 6.18791 4.89042 numMergedOcc 0
16 mol 185 unq 0 iso 0 dist 7.5578 9.20346 5.79003 6.62848 6.14586 10.9909 numMergedOcc 0
17 mol 185 unq 1 iso 0 dist 6.06763 9.20346 10.576 6.62848 4.53126 10.9909 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.45384 9.4588 12.4341 8.84116 5.40899 9.45235 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 7.45384 9.4588 12.4341 8.16369 4.94882 10.591 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 4.43243 6.02845 6.46022 5.99137 4.15973 9.92965 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 4.43243 9.35599 11.3284 5.99137 4.15973 13.9306 numMergedOcc 0
22 mol 236 unq 2 iso 0 dist 5.92025 6.02845 5.972 5.99137 9.01197 9.92965 numMergedOcc 0
23 mol 236 unq 3 iso 0 dist 5.92025 9.35599 10.9042 5.99137 9.01197 13.9306 numMergedOcc 0
24 mol 236 unq 4 iso 0 dist 9.04819 6.02845 5.91643 5.99137 14.6016 9.92965 numMergedOcc 0
25 mol 236 unq 5 iso 0 dist 9.04819 9.35599 4.72317 5.99137 14.6016 13.9306 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.92585 6.86905 14.946 6.51823 10.7712 7.22173 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 6.84088 5.62744 7.04644 6.92721 9.86326 5.29737 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 6.84088 7.76984 4.99161 6.92721 9.86326 11.4465 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.62592 8.8726 3.95075 5.31858 7.52881 9.22664 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.62592 8.8726 3.95075 5.71851 12.3042 13.0489 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.93002 8.87598 5.30516 5.29682 6.64729 6.59107 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 8.93002 8.87598 5.30516 6.20344 9.79538 11.1778 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 6.83706 8.13376 4.77489 8.69345 10.7398 14.41 numMergedOcc 0
34 mol 265 unq 0 iso 0 dist 9.83854 9.19106 13.5875 7.45719 5.58514 8.31727 numMergedOcc 0
35 mol 265 unq 1 iso 0 dist 6.98451 5.14122 4.86847 8.59825 5.75478 7.8929 numMergedOcc 0
36 mol 265 unq 2 iso 0 dist 6.98451 5.14122 4.86847 7.83102 9.74462 5.56416 numMergedOcc 0
