0 mol 51 unq 0 iso 0 dist 9.26014 6.16861 9.42071 6.4918 7.76282 10.1569 numMergedOcc 0
1 mol 51 unq 1 iso 0 dist 9.26014 15.5166 9.97973 6.4918 7.76282 9.60137 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.99188 9.90261 8.83047 10.2062 7.09169 14.3035 numMergedOcc 0
3 mol 53 unq 1 iso 0 dist 9.99188 6.43175 6.95013 10.2062 7.09169 5.02495 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.54955 7.77514 7.4674 12.613 9.96399 12.6215 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 8.54955 7.77514 7.4674 9.35097 7.55695 12.7297 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 8.54955 7.77514 7.4674 9.8648 8.82176 14.5723 numMergedOcc 0
7 mol 60 unq 3 iso 0 dist 8.54955 12.9994 8.4928 12.613 9.96399 5.09908 numMergedOcc 0
8 mol 60 unq 4 iso 0 dist 8.54955 12.9994 8.4928 9.35097 7.55695 10.0675 numMergedOcc 0
9 mol 60 unq 5 iso 0 dist 8.54955 12.9994 8.4928 9.8648 8.82176 14.3334 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.53164 4.34451 5.22996 9.40516 6.49956 6.09495 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.70095 7.87498 6.14415 5.06206 7.12017 6.89762 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.13886 8.25645 7.35503 5.40087 7.23962 10.0299 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 9.13886 8.25645 7.35503 9.53485 9.00067 9.13496 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 9.13886 8.25645 7.35503 13.9695 9.89499 10.1793 numMergedOcc 0
15 mol 112 unq 3 iso 0 dist 9.13886 8.25645 7.35503 11.6264 7.30204 11.5698 numMergedOcc 0
16 mol 112 unq 4 iso 0 dist 9.13886 11.3476 8.79543 5.40087 7.23962 11.7503 numMergedOcc 0
17 mol 112 unq 5 iso 0 dist 9.13886 11.3476 8.79543 9.53485 9.00067 8.0952 numMergedOcc 0
18 mol 112 unq 6 iso 0 dist 9.13886 11.3476 8.79543 13.9695 9.89499 7.12714 numMergedOcc 0
19 mol 112 unq 7 iso 0 dist 9.13886 11.3476 8.79543 11.6264 7.30204 10.886 numMergedOcc 0
20 mol 112 unq 8 iso 0 dist 9.13886 13.8988 6.48223 5.40087 7.23962 10.626 numMergedOcc 0
21 mol 112 unq 9 iso 0 dist 9.13886 13.8988 6.48223 9.53485 9.00067 8.19562 numMergedOcc 0
22 mol 112 unq 10 iso 0 dist 9.13886 13.8988 6.48223 13.9695 9.89499 5.71097 numMergedOcc 0
23 mol 112 unq 11 iso 0 dist 9.13886 13.8988 6.48223 11.6264 7.30204 5.27363 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 9.96728 7.43986 5.46768 7.24106 6.60567 7.00308 numMergedOcc 0
25 mol 195 unq 1 iso 0 dist 9.96728 7.43986 5.46768 12.7239 7.62942 5.34788 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 7.10883 12.9829 8.768 6.7444 6.6561 6.89798 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 7.92391 5.26607 9.98606 4.97892 7.71657 6.01492 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.31175 14.4404 8.84798 9.86167 8.29305 13.8061 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 8.31175 14.4404 8.84798 9.59818 6.43341 7.7504 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 4.37724 9.43216 9.21767 9.41638 7.91611 9.04205 numMergedOcc 0
31 mol 294 unq 1 iso 0 dist 4.37724 4.06072 6.16375 9.41638 7.91611 6.99988 numMergedOcc 0
