0 mol 41 unq 0 iso 0 dist 8.91418 6.78868 6.73801 9.00425 7.29079 4.23447 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 8.91418 7.10946 6.42834 9.00425 7.29079 11.5146 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 6.0961 12.0084 6.73801 12.6048 7.29079 4.23447 numMergedOcc 0
3 mol 41 unq 3 iso 0 dist 6.0961 4.08339 6.42834 12.6048 7.29079 11.5146 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.17564 5.87788 9.43355 10.8351 8.67634 13.144 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.17564 15.4376 7.9327 10.8351 8.67634 9.37875 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 7.19213 5.46359 9.43355 8.08163 8.67634 13.144 numMergedOcc 0
7 mol 59 unq 3 iso 0 dist 7.19213 13.0982 7.9327 8.08163 8.67634 9.37875 numMergedOcc 0
8 mol 59 unq 4 iso 0 dist 6.94351 16.3671 9.43355 10.8454 8.67634 13.144 numMergedOcc 0
9 mol 59 unq 5 iso 0 dist 6.94351 5.83238 7.9327 10.8454 8.67634 9.37875 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 8.84323 7.46975 6.04903 5.46563 9.1062 4.09232 numMergedOcc 0
11 mol 67 unq 0 iso 0 dist 5.70192 4.31746 9.0008 3.77705 8.96498 5.26394 numMergedOcc 0
12 mol 67 unq 1 iso 0 dist 5.70192 4.31746 9.0008 11.7466 7.5228 14.1568 numMergedOcc 0
13 mol 67 unq 2 iso 0 dist 7.65646 7.58981 9.0008 7.64337 8.96498 5.26394 numMergedOcc 0
14 mol 67 unq 3 iso 0 dist 7.65646 7.58981 9.0008 10.1845 7.5228 14.1568 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 5.44714 9.69428 7.33541 3.97791 5.29949 11.0969 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 5.58063 4.08294 7.52142 8.29196 7.65255 6.44969 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.95838 12.2067 7.26955 5.99531 6.55202 10.3622 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.95838 12.2067 7.26955 11.2265 9.08536 14.9264 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 9.47892 4.09788 7.26955 13.9667 6.55202 10.3622 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 9.47892 4.09788 7.26955 15.453 9.08536 14.9264 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 9.43335 14.3207 6.46089 5.36037 7.05845 12.207 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 9.9492 6.3462 6.46089 15.3503 7.05845 12.207 numMergedOcc 0
23 mol 148 unq 0 iso 0 dist 8.07915 5.03347 8.28564 5.4632 8.42899 3.92992 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 7.97801 4.80033 8.39475 5.36078 8.33721 3.94762 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 8.94941 4.49716 6.72852 9.84064 8.88492 5.72663 numMergedOcc 0
26 mol 159 unq 1 iso 0 dist 8.94941 6.69743 8.52082 9.84064 8.88492 13.0629 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 7.65559 4.7671 8.30984 3.72135 6.65272 3.91051 numMergedOcc 0
28 mol 162 unq 1 iso 0 dist 7.65559 4.7671 8.30984 7.66483 9.66989 3.88817 numMergedOcc 0
29 mol 173 unq 0 iso 0 dist 9.56248 7.6477 8.41245 15.8873 8.62366 16.0084 numMergedOcc 0
30 mol 173 unq 1 iso 0 dist 9.56248 7.6477 8.41245 14.9274 9.44973 13.8465 numMergedOcc 0
31 mol 173 unq 2 iso 0 dist 9.56248 7.6477 8.41245 9.35913 6.52508 11.2063 numMergedOcc 0
32 mol 173 unq 3 iso 0 dist 9.56248 5.04427 6.64779 15.8873 8.62366 11.3761 numMergedOcc 0
33 mol 173 unq 4 iso 0 dist 9.56248 5.04427 6.64779 14.9274 9.44973 9.90783 numMergedOcc 0
34 mol 173 unq 5 iso 0 dist 9.56248 5.04427 6.64779 9.35913 6.52508 4.60149 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 6.17129 6.78739 7.05653 7.19461 9.09234 4.98436 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 6.17129 6.78739 7.05653 9.77747 6.76746 11.9796 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 6.17129 6.78739 7.05653 10.0615 8.92098 12.3589 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 5.83596 11.3693 7.05653 11.195 9.09234 4.98436 numMergedOcc 0
39 mol 181 unq 4 iso 0 dist 5.83596 11.3693 7.05653 4.76079 6.76746 11.9796 numMergedOcc 0
40 mol 181 unq 5 iso 0 dist 5.83596 11.3693 7.05653 6.38851 8.92098 12.3589 numMergedOcc 0
41 mol 194 unq 0 iso 0 dist 6.289 10.7677 8.52969 5.18485 7.10155 7.41775 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 6.289 10.7677 8.52969 3.86206 6.11135 11.4789 numMergedOcc 0
43 mol 204 unq 0 iso 0 dist 9.86352 4.32206 9.55606 7.60521 8.66162 9.96173 numMergedOcc 0
44 mol 204 unq 1 iso 0 dist 9.42374 8.11161 7.10526 9.69119 5.3819 6.65648 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 7.19662 10.383 9.25517 5.99784 6.86569 5.96499 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 6.24435 5.18265 8.09718 11.7967 8.69525 15.3328 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 6.24435 4.30687 6.73446 11.7967 8.69525 10.3346 numMergedOcc 0
48 mol 243 unq 0 iso 0 dist 7.77265 3.87679 7.12785 8.61196 9.33476 10.1372 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 9.53092 11.7116 8.71497 9.92544 8.84648 7.57379 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 9.53092 11.7116 8.71497 12.9171 6.23661 4.47425 numMergedOcc 0
51 mol 273 unq 0 iso 0 dist 9.79283 13.9497 8.85779 12.2057 9.35749 10.5462 numMergedOcc 0
52 mol 282 unq 0 iso 0 dist 9.20119 9.11162 6.8972 10.9015 7.52924 4.10152 numMergedOcc 0
53 mol 282 unq 1 iso 0 dist 8.96997 10.842 6.8972 7.77671 7.52924 4.10152 numMergedOcc 0
