0 mol 21 unq 0 iso 0 dist 7.38586 13.5547 6.93185 15.9925 9.35562 3.76294 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 7.38586 13.5547 6.93185 4.7793 8.63857 12.9404 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.80822 6.39668 6.63839 10.985 8.53931 5.38592 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 9.38546 3.82008 7.9067 12.1753 7.08841 9.25868 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.59367 12.5752 6.73801 13.7087 7.29079 4.23447 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 6.59367 8.68242 6.42834 13.7087 7.29079 11.5146 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.10708 9.98108 9.43355 5.39975 8.67634 13.144 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 8.10708 12.8035 7.9327 5.39975 8.67634 9.37875 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 8.42956 15.504 9.43355 5.08334 8.67634 13.144 numMergedOcc 0
9 mol 59 unq 3 iso 0 dist 8.42956 4.9619 7.9327 5.08334 8.67634 9.37875 numMergedOcc 0
10 mol 59 unq 4 iso 0 dist 9.20253 15.8562 9.43355 5.46757 8.67634 13.144 numMergedOcc 0
11 mol 59 unq 5 iso 0 dist 9.20253 10.3701 7.9327 5.46757 8.67634 9.37875 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 9.11128 5.21856 7.75012 10.0983 6.47811 10.5938 numMergedOcc 0
13 mol 128 unq 1 iso 0 dist 9.11128 13.0031 6.98158 10.0983 6.47811 5.91388 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.61636 10.745 6.51868 4.97581 9.10003 10.0161 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 6.61636 11.3682 7.34698 4.97581 9.10003 11.7838 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.22353 11.6598 9.30424 11.3315 8.18023 13.1214 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 8.22353 11.6598 9.30424 12.1494 7.46803 4.06908 numMergedOcc 0
18 mol 143 unq 2 iso 0 dist 8.57285 8.28318 9.30424 14.6282 8.18023 13.1214 numMergedOcc 0
19 mol 143 unq 3 iso 0 dist 8.57285 8.28318 9.30424 7.11802 7.46803 4.06908 numMergedOcc 0
20 mol 157 unq 0 iso 0 dist 5.87379 6.39342 6.455 7.50283 6.4431 3.89036 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 9.2256 6.11852 6.72852 10.0838 8.88492 5.72663 numMergedOcc 0
22 mol 159 unq 1 iso 0 dist 9.2256 5.48097 8.52082 10.0838 8.88492 13.0629 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 9.72291 7.33075 7.80054 8.23378 9.1326 5.43662 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 9.72291 7.33075 7.80054 12.2546 7.30954 5.95858 numMergedOcc 0
25 mol 173 unq 0 iso 0 dist 7.33162 4.67407 8.41245 15.3642 8.62366 16.0084 numMergedOcc 0
26 mol 173 unq 1 iso 0 dist 7.33162 4.67407 8.41245 14.6996 9.44973 13.8465 numMergedOcc 0
27 mol 173 unq 2 iso 0 dist 7.33162 4.67407 8.41245 10.1636 6.52508 11.2063 numMergedOcc 0
28 mol 173 unq 3 iso 0 dist 7.33162 6.34062 6.64779 15.3642 8.62366 11.3761 numMergedOcc 0
29 mol 173 unq 4 iso 0 dist 7.33162 6.34062 6.64779 14.6996 9.44973 9.90783 numMergedOcc 0
30 mol 173 unq 5 iso 0 dist 7.33162 6.34062 6.64779 10.1636 6.52508 4.60149 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 7.96519 4.30863 8.85779 9.73521 9.35749 10.5462 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 7.10557 5.61995 6.8972 8.55841 7.52924 4.10152 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 8.40198 8.32567 5.59555 13.2367 8.59762 5.97664 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 9.11967 7.04567 5.59555 12.7902 8.59762 5.97664 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 8.40198 8.32567 5.59555 13.2367 8.59762 5.97664 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 9.11967 7.04567 5.59555 12.7902 8.59762 5.97664 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 8.40198 8.32567 5.59555 13.2367 8.59762 5.97664 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 9.11967 7.04567 5.59555 12.7902 8.59762 5.97664 numMergedOcc 0
