0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 20.1827 10.515 9.97624 16.6461 9.67164 5.5683 8.81608 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.6396 16.0077 9.01548 12.5693 4.70708 6.63839 13.591 9.49421 5.38592 8.53931 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.41493 4.08339 8.51663 6.0961 5.0364 6.42834 12.6048 11.3157 11.5146 7.29079 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.1599 7.46975 4.74544 8.84323 5.49555 6.04903 5.46563 6.9103 4.09232 9.1062 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.50322 16.7326 9.22232 15.0113 12.0863 8.21165 11.5628 12.5855 12.3375 8.55349 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 9.50322 10.2948 9.22661 11.5756 4.68409 6.51868 19.4466 13.5288 10.0161 9.10003 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 9.50322 11.6924 7.56378 11.5756 4.68409 7.34698 19.4466 13.5288 11.7838 9.10003 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 11.674 6.01455 6.46089 9.60065 7.36975 12.207 7.05845 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 7.97007 4.49716 9.17787 8.94941 6.49376 6.72852 9.84064 13.15 5.72663 8.88492 numMergedOcc 0
9 mol 159 unq 1 iso 0 dist 7.97007 6.69743 8.4858 8.94941 6.49376 8.52082 9.84064 13.15 13.0629 8.88492 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.84952 6.78739 5.94469 6.17129 6.7991 7.05653 7.19461 6.64173 4.98436 9.09234 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.84952 6.78739 5.94469 6.17129 6.7991 7.05653 9.77747 9.01624 11.9796 6.76746 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 9.84952 6.78739 5.94469 6.17129 6.7991 7.05653 10.0615 9.55105 12.3589 8.92098 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 7.46434 11.1213 7.32499 10.1461 5.9221 7.43663 4.86668 8.84746 11.1693 8.27411 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 7.46434 11.1213 7.32499 10.1461 5.9221 7.43663 17.0007 11.1846 10.7351 6.96257 numMergedOcc 0
15 mol 234 unq 2 iso 0 dist 7.50424 10.6488 7.32499 10.6033 5.9221 7.43663 16.2601 8.84746 11.1693 8.27411 numMergedOcc 0
16 mol 234 unq 3 iso 0 dist 7.50424 10.6488 7.32499 10.6033 5.9221 7.43663 11.2863 11.1846 10.7351 6.96257 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 6.86162 3.87679 7.49645 7.77265 5.70464 7.12785 8.61196 12.3379 10.1372 9.33476 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.06771 5.61261 7.98231 13.1236 11.6195 8.71497 9.99649 14.2242 7.57379 8.84648 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 8.06771 5.61261 7.98231 13.1236 11.6195 8.71497 10.0741 10.3406 4.47425 6.23661 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 9.54857 8.74892 7.08526 10.5864 5.79468 8.71497 12.2785 11.7465 7.57379 8.84648 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 9.54857 8.74892 7.08526 10.5864 5.79468 8.71497 5.49348 5.85442 4.47425 6.23661 numMergedOcc 0
