0 mol 8 unq 0 iso 0 dist 9.11545 12.1654 8.89145 13.8674 6.92865 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.11545 13.8674 6.92865 12.1654 8.89145 8.02605 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.79758 5.21676 7.78708 7.65931 7.84393 8.01051 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 6.79758 7.65931 7.84393 5.21676 7.78708 8.01051 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 8.49449 5.53748 6.25914 10.307 6.03755 5.43882 numMergedOcc 0
5 mol 55 unq 0 iso 1 dist 8.49449 10.307 6.03755 5.53748 6.25914 5.43882 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 6.45963 4.53728 6.25914 5.70356 6.03755 5.43882 numMergedOcc 0
7 mol 55 unq 1 iso 1 dist 6.45963 5.70356 6.03755 4.53728 6.25914 5.43882 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 8.70819 8.33206 6.25914 4.83051 6.03755 5.43882 numMergedOcc 0
9 mol 55 unq 2 iso 1 dist 8.70819 4.83051 6.03755 8.33206 6.25914 5.43882 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 9.67476 6.50049 7.9572 13.4853 8.64208 7.99329 numMergedOcc 0
11 mol 67 unq 0 iso 1 dist 9.67476 13.4853 8.64208 6.50049 7.9572 7.99329 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 5.04007 5.82571 6.87176 8.48982 7.45675 10.2272 numMergedOcc 0
13 mol 68 unq 0 iso 1 dist 5.04007 8.48982 7.45675 5.82571 6.87176 10.2272 numMergedOcc 0
14 mol 68 unq 1 iso 0 dist 7.81025 5.4779 6.87176 6.38698 7.45675 10.2272 numMergedOcc 0
15 mol 68 unq 1 iso 1 dist 7.81025 6.38698 7.45675 5.4779 6.87176 10.2272 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 9.06379 10.5217 8.24121 12.1462 8.52371 10.149 numMergedOcc 0
17 mol 69 unq 0 iso 1 dist 9.06379 12.1462 8.52371 10.5217 8.24121 10.149 numMergedOcc 0
18 mol 69 unq 1 iso 0 dist 9.06379 10.5217 8.24121 5.76912 6.8198 12.0119 numMergedOcc 0
19 mol 69 unq 1 iso 1 dist 9.06379 5.76912 6.8198 10.5217 8.24121 12.0119 numMergedOcc 0
20 mol 69 unq 1 iso 0 dist 9.06379 12.1462 8.52371 5.76912 6.8198 9.16015 numMergedOcc 0
21 mol 69 unq 1 iso 1 dist 9.06379 5.76912 6.8198 12.1462 8.52371 9.16015 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 8.25015 6.6622 8.19156 12.4364 9.54589 11.5982 numMergedOcc 0
23 mol 114 unq 0 iso 1 dist 8.25015 12.4364 9.54589 6.6622 8.19156 11.5982 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 5.2929 6.06993 8.93552 5.29965 8.35604 10.2788 numMergedOcc 0
25 mol 115 unq 0 iso 1 dist 5.2929 5.29965 8.35604 6.06993 8.93552 10.2788 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 6.17589 6.06993 6.20658 5.29965 7.83568 10.2788 numMergedOcc 0
27 mol 115 unq 1 iso 1 dist 6.17589 5.29965 7.83568 6.06993 6.20658 10.2788 numMergedOcc 0
28 mol 132 unq 0 iso 0 dist 8.97036 13.8837 6.495 14.8844 9.43748 4.35917 numMergedOcc 0
29 mol 132 unq 0 iso 1 dist 8.97036 14.8844 9.43748 13.8837 6.495 4.35917 numMergedOcc 0
30 mol 158 unq 0 iso 0 dist 7.47948 5.16719 8.34161 5.52957 6.95381 5.21142 numMergedOcc 0
31 mol 158 unq 0 iso 1 dist 7.47948 5.52957 6.95381 5.16719 8.34161 5.21142 numMergedOcc 0
32 mol 158 unq 1 iso 0 dist 6.06276 8.1066 8.34161 5.155 6.95381 5.21142 numMergedOcc 0
33 mol 158 unq 1 iso 1 dist 6.06276 5.155 6.95381 8.1066 8.34161 5.21142 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 8.68482 4.65392 7.7292 11.0965 6.27396 12.5143 numMergedOcc 0
35 mol 204 unq 0 iso 1 dist 8.68482 11.0965 6.27396 4.65392 7.7292 12.5143 numMergedOcc 0
36 mol 212 unq 0 iso 0 dist 8.53152 6.05846 9.1384 5.19318 7.87125 4.12932 numMergedOcc 0
37 mol 212 unq 0 iso 1 dist 8.53152 5.19318 7.87125 6.05846 9.1384 4.12932 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 6.92271 6.29035 9.84188 4.83355 8.35794 5.59609 numMergedOcc 0
39 mol 277 unq 0 iso 1 dist 6.92271 4.83355 8.35794 6.29035 9.84188 5.59609 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.62666 15.7541 9.84188 11.2857 8.35794 5.59609 numMergedOcc 0
41 mol 277 unq 1 iso 1 dist 8.62666 11.2857 8.35794 15.7541 9.84188 5.59609 numMergedOcc 0
42 mol 284 unq 0 iso 0 dist 6.05336 8.82631 7.2795 13.559 9.41428 5.87439 numMergedOcc 0
43 mol 284 unq 0 iso 1 dist 6.05336 13.559 9.41428 8.82631 7.2795 5.87439 numMergedOcc 0
