0 mol 15 unq 0 iso 0 dist 7.26175 9.21064 7.876 6.32451 7.38744 9.64147 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 7.26175 9.21064 7.876 9.867 9.41935 4.29582 numMergedOcc 0
2 mol 15 unq 2 iso 0 dist 7.26175 12.7107 8.63502 6.32451 7.38744 10.7474 numMergedOcc 0
3 mol 15 unq 3 iso 0 dist 7.26175 12.7107 8.63502 9.867 9.41935 8.72342 numMergedOcc 0
4 mol 15 unq 4 iso 0 dist 8.0277 12.2677 7.876 5.37184 7.38744 9.64147 numMergedOcc 0
5 mol 15 unq 5 iso 0 dist 8.0277 12.2677 7.876 13.6747 9.41935 4.29582 numMergedOcc 0
6 mol 15 unq 6 iso 0 dist 8.0277 14.538 8.63502 5.37184 7.38744 10.7474 numMergedOcc 0
7 mol 15 unq 7 iso 0 dist 8.0277 14.538 8.63502 13.6747 9.41935 8.72342 numMergedOcc 0
8 mol 21 unq 0 iso 0 dist 6.05653 13.0943 9.35137 4.09637 6.61889 10.6971 numMergedOcc 0
9 mol 30 unq 0 iso 0 dist 6.71385 9.08135 5.61656 6.33136 8.28062 6.10646 numMergedOcc 0
10 mol 30 unq 1 iso 0 dist 6.71385 9.08135 5.61656 9.08661 6.90201 7.0381 numMergedOcc 0
11 mol 30 unq 2 iso 0 dist 6.71385 9.20502 8.67487 6.33136 8.28062 5.89021 numMergedOcc 0
12 mol 30 unq 3 iso 0 dist 6.71385 9.20502 8.67487 9.08661 6.90201 5.85054 numMergedOcc 0
13 mol 30 unq 4 iso 0 dist 6.71385 11.8112 6.95343 6.33136 8.28062 10.7121 numMergedOcc 0
14 mol 30 unq 5 iso 0 dist 6.71385 11.8112 6.95343 9.08661 6.90201 4.94076 numMergedOcc 0
15 mol 30 unq 6 iso 0 dist 5.29445 9.08135 7.22242 6.33136 6.31246 6.10646 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 7.00884 4.53858 7.07868 5.83497 8.60839 4.65335 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 9.89866 11.8894 7.48658 13.7721 9.81484 8.70803 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 9.89866 11.8894 7.48658 13.0293 5.77527 9.52327 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 9.89866 11.8894 7.48658 10.0044 7.313 13.093 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 9.89866 6.66303 7.20279 13.7721 9.81484 7.52639 numMergedOcc 0
21 mol 92 unq 4 iso 0 dist 9.89866 6.66303 7.20279 13.0293 5.77527 7.34683 numMergedOcc 0
22 mol 92 unq 5 iso 0 dist 9.89866 6.66303 7.20279 10.0044 7.313 5.96752 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 7.97551 4.99077 6.05583 11.7656 6.66076 11.9775 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 8.5489 11.755 8.47008 6.15536 6.2176 5.63555 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 7.37535 8.38068 5.82585 6.39246 6.50352 9.73871 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.07855 6.55542 5.45139 13.2911 6.85567 11.169 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 8.07855 11.6411 8.10769 13.2911 6.85567 6.34419 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 9.8046 7.46801 7.27258 6.62931 7.34165 5.32505 numMergedOcc 0
29 mol 244 unq 1 iso 0 dist 9.8046 7.46801 7.27258 11.9698 6.61951 12.4021 numMergedOcc 0
30 mol 244 unq 2 iso 0 dist 9.8046 9.79733 5.29811 6.62931 7.34165 10.5501 numMergedOcc 0
31 mol 244 unq 3 iso 0 dist 9.8046 9.79733 5.29811 11.9698 6.61951 5.17744 numMergedOcc 0
32 mol 244 unq 4 iso 0 dist 6.69424 12.6668 7.27258 10.3572 7.34165 5.32505 numMergedOcc 0
33 mol 244 unq 5 iso 0 dist 6.69424 12.6668 7.27258 6.12937 6.61951 12.4021 numMergedOcc 0
34 mol 244 unq 6 iso 0 dist 6.69424 9.17618 5.29811 10.3572 7.34165 10.5501 numMergedOcc 0
35 mol 244 unq 7 iso 0 dist 6.69424 9.17618 5.29811 6.12937 6.61951 5.17744 numMergedOcc 0
36 mol 256 unq 0 iso 0 dist 8.59294 17.3726 9.72168 7.49849 6.65749 11.578 numMergedOcc 0
37 mol 256 unq 1 iso 0 dist 8.59294 17.3726 9.72168 9.92311 4.73652 7.7384 numMergedOcc 0
