0 mol 5 unq 0 iso 0 dist 7.95876 10.0149 7.74636 11.1493 5.31713 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.95876 10.0149 7.74636 14.7683 7.84244 8.31759 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.54358 9.68636 9.89425 14.9214 12.0683 6.83186 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.95042 15.4638 7.7447 16.3188 11.1587 8.25818 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 9.9787 10.6814 5.4713 13.8906 6.08836 3.77542 numMergedOcc 0
5 mol 46 unq 1 iso 0 dist 9.9787 10.6814 5.4713 17.6617 14.1986 9.97314 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.8703 10.9724 8.19932 13.7382 7.98805 7.7485 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 7.39665 10.6721 8.19932 13.5465 7.98805 7.7485 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.23026 4.27653 5.45099 9.92555 3.35924 7.66068 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.23026 10.934 8.44765 9.92555 3.35924 9.5043 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 8.23026 11.8887 9.06643 9.92555 3.35924 8.34132 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 9.22631 4.25258 7.39732 10.8061 4.98621 9.66837 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.80934 13.0914 4.30875 7.02367 3.52445 7.02358 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 8.28795 5.49724 9.87354 8.51123 6.51576 6.55227 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 5.40637 6.75249 6.60366 8.99891 5.94217 4.3855 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 6.02086 12.7437 8.21227 15.6838 9.99868 5.86767 numMergedOcc 0
16 mol 168 unq 1 iso 0 dist 6.02086 12.7437 8.21227 11.0423 6.91388 5.28353 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.73533 12.1883 8.17928 12.038 4.79079 4.87942 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 8.73533 12.1883 8.17928 5.90765 3.60793 7.25595 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 8.21793 4.67313 9.02881 8.82761 14.4808 9.71831 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.69318 16.0709 9.53137 15.2465 7.66826 4.55853 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 7.80862 8.33646 7.73438 13.3277 10.5542 5.88958 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 7.80862 8.33646 7.73438 13.1368 12.5361 7.78121 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.45616 3.65199 4.93516 5.30118 3.66473 4.68668 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.45616 3.65199 4.93516 5.30118 3.66473 4.68668 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.45616 3.65199 4.93516 5.30118 3.66473 4.68668 numMergedOcc 0
