0 mol 10 unq 0 iso 0 dist 6.31531 4.64029 9.29504 13.5278 7.93277 15.356 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.31531 4.64029 9.29504 4.83733 8.88888 6.23393 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 6.62201 8.18139 11.1357 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 5.25583 8.27891 8.15864 6.62201 8.18139 5.03514 numMergedOcc 0
4 mol 13 unq 0 iso 0 dist 9.64098 8.89856 9.11704 3.68938 6.52528 7.84471 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.54999 6.81531 8.84944 9.81268 6.57633 7.20713 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.54999 10.5856 7.21995 9.81268 6.57633 6.53557 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 7.99735 13.11 9.53081 5.41436 7.34325 12.665 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.99735 13.11 9.53081 6.53592 6.42037 14.1985 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 9.7516 4.99432 9.53081 9.58119 7.34325 12.665 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 9.7516 4.99432 9.53081 12.1293 6.42037 14.1985 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 4.08338 7.11238 7.91421 numMergedOcc 0
12 mol 64 unq 1 iso 0 dist 7.85826 7.27834 8.85416 4.08338 7.11238 5.48409 numMergedOcc 0
13 mol 66 unq 0 iso 0 dist 7.16147 4.35884 8.68658 7.28551 8.65033 5.64923 numMergedOcc 0
14 mol 66 unq 1 iso 0 dist 7.16147 4.35884 8.68658 3.96299 7.8807 4.23816 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 8.93939 16.0604 8.90896 16.7919 9.79061 11.5216 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 9.28357 9.04086 8.7142 5.4968 9.73179 13.0959 numMergedOcc 0
17 mol 83 unq 0 iso 0 dist 9.90769 15.5212 7.2118 9.63903 7.93119 9.38885 numMergedOcc 0
18 mol 83 unq 1 iso 0 dist 9.90769 15.5212 7.2118 14.347 5.25361 4.93836 numMergedOcc 0
19 mol 96 unq 0 iso 0 dist 9.25941 6.04753 8.9056 6.67182 9.90938 6.29583 numMergedOcc 0
20 mol 157 unq 0 iso 0 dist 6.97303 6.72897 6.8976 6.17631 8.9078 5.332 numMergedOcc 0
21 mol 157 unq 1 iso 0 dist 9.37761 7.17345 6.8976 8.41843 8.9078 5.332 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 6.33118 8.85571 9.96635 3.51425 7.68074 7.76298 numMergedOcc 0
23 mol 158 unq 1 iso 0 dist 6.33118 8.85571 9.96635 11.7855 9.1854 8.17573 numMergedOcc 0
24 mol 170 unq 0 iso 0 dist 6.3247 5.97193 4.44987 4.63542 8.38932 5.22242 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 8.37024 5.06545 6.52136 4.05534 8.43994 6.86345 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 9.85507 5.58779 6.50756 4.00152 9.5745 4.606 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 7.61854 11.7831 8.63249 14.3613 8.75172 15.0178 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 7.61854 8.73194 7.74348 14.3613 8.75172 7.69003 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 8.82741 7.50159 4.64178 3.98086 8.89434 6.26525 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 8.82741 14.8655 9.16988 3.98086 8.89434 16.1398 numMergedOcc 0
31 mol 243 unq 2 iso 0 dist 4.88105 4.7112 4.64178 6.95692 8.89434 6.26525 numMergedOcc 0
32 mol 243 unq 3 iso 0 dist 4.88105 9.56957 9.16988 6.95692 8.89434 16.1398 numMergedOcc 0
33 mol 243 unq 4 iso 0 dist 9.44057 8.85604 4.64178 12.5972 8.89434 6.26525 numMergedOcc 0
34 mol 243 unq 5 iso 0 dist 9.44057 6.36228 9.16988 12.5972 8.89434 16.1398 numMergedOcc 0
35 mol 255 unq 0 iso 0 dist 5.53395 5.96376 9.40767 4.04928 5.88708 7.45603 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 8.65743 5.36882 9.62494 11.5675 9.51145 7.90149 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 9.87771 15.2194 7.83793 8.68671 8.49945 12.7149 numMergedOcc 0
38 mol 279 unq 1 iso 0 dist 9.87771 15.2194 7.83793 12.2817 9.68415 7.60708 numMergedOcc 0
39 mol 281 unq 0 iso 0 dist 8.19366 7.19125 4.75349 10.9386 8.90116 7.43925 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 6.51561 5.44638 5.83342 4.0294 9.63325 7.60595 numMergedOcc 0
41 mol 292 unq 1 iso 0 dist 6.51561 5.44638 5.83342 6.59125 8.67283 6.03488 numMergedOcc 0
