0 mol 15 unq 0 iso 0 dist 9.60736 11.4242 8.85174 4.98085 6.23015 10.1154 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 4.71964 6.44262 7.6114 4.95472 6.29797 5.68392 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.39124 5.55112 9.9787 6.10596 5.43693 11.1395 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 5.40287 6.82279 8.66539 5.5561 9.02642 6.49081 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.40287 5.52874 5.38524 5.5561 9.02642 9.37804 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 5.40287 9.02602 8.69057 5.5561 9.02642 14.0374 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.65006 5.27863 8.23026 8.85202 8.77077 6.5901 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 7.85265 9.7247 9.16718 4.99095 7.77089 11.0132 numMergedOcc 0
8 mol 105 unq 1 iso 0 dist 7.85265 6.37983 7.94633 4.99095 7.77089 9.96719 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 8.59002 10.2526 7.7988 5.25434 8.06134 6.41459 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 8.59002 10.2526 7.7988 5.1008 5.36587 7.64054 numMergedOcc 0
11 mol 112 unq 2 iso 0 dist 8.59002 12.1073 9.40824 5.25434 8.06134 7.18484 numMergedOcc 0
12 mol 112 unq 3 iso 0 dist 8.59002 12.1073 9.40824 5.1008 5.36587 10.9474 numMergedOcc 0
13 mol 112 unq 4 iso 0 dist 8.59002 6.7184 4.22363 5.25434 8.06134 4.35926 numMergedOcc 0
14 mol 112 unq 5 iso 0 dist 8.59002 6.7184 4.22363 5.1008 5.36587 5.76098 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 9.11877 6.99924 5.37047 6.3866 5.06564 6.48978 numMergedOcc 0
16 mol 143 unq 1 iso 0 dist 9.11877 6.99924 5.37047 4.36375 7.5373 5.20762 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.24772 7.89844 9.76212 5.16569 7.35884 4.43096 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.24772 5.10258 8.59874 5.16569 7.35884 6.06566 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 8.18482 5.11128 9.31526 5.67189 8.63279 9.73871 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 5.83372 7.36035 9.58404 4.19891 8.24649 4.82315 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 9.82471 10.4268 9.58404 7.0172 8.24649 4.82315 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 7.79613 5.02064 5.56538 12.3058 8.43195 7.75656 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.55819 5.30529 6.99769 4.98742 9.25617 5.91654 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 8.55819 5.30529 6.99769 4.84006 9.05276 9.14278 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 8.55819 10.5504 8.79428 4.98742 9.25617 7.38836 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 8.55819 10.5504 8.79428 4.84006 9.05276 12.4832 numMergedOcc 0
27 mol 224 unq 4 iso 0 dist 8.55819 12.7033 6.8692 4.98742 9.25617 10.6079 numMergedOcc 0
28 mol 224 unq 5 iso 0 dist 8.55819 12.7033 6.8692 4.84006 9.05276 11.5752 numMergedOcc 0
29 mol 229 unq 0 iso 0 dist 9.69367 12.61 7.27993 16.0328 9.37336 6.65022 numMergedOcc 0
30 mol 229 unq 1 iso 0 dist 9.69367 12.7466 9.51168 16.0328 9.37336 5.42069 numMergedOcc 0
31 mol 229 unq 2 iso 0 dist 9.69367 6.23286 6.95201 16.0328 9.37336 10.2411 numMergedOcc 0
