0 mol 1 unq 0 iso 0 dist 6.26921 4.73611 7.83632 6.93809 3.81243 5.91417 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 6.19304 5.28639 4.62858 11.3982 6.30042 8.74576 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.70029 5.92759 6.47855 10.3071 10.5824 8.94353 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.70029 5.92759 6.47855 11.9824 3.91611 7.30265 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 9.67641 17.4457 9.0008 12.4794 5.26394 8.96498 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 9.67641 17.4457 9.0008 22.8378 14.1568 7.5228 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 4.73362 7.5192 7.03226 13.3552 10.1364 9.4866 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.3795 9.82998 7.03226 8.8326 10.1364 9.4866 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.48678 10.1356 6.0129 6.74197 3.92737 4.44979 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.48678 10.1356 6.0129 12.3653 3.94967 6.61111 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.95622 10.6656 7.70313 17.2985 10.3264 8.0168 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.05937 11.0594 7.26955 14.9625 10.3622 6.55202 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.05937 11.0594 7.26955 18.8411 14.9264 9.08536 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 9.61304 7.75848 7.75012 14.1982 10.5938 6.47811 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.93309 14.3323 8.21165 19.8197 12.3375 8.55349 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 7.43112 10.8174 6.21403 9.78764 4.07076 5.73203 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 7.43112 10.8174 6.21403 7.49352 6.32315 6.57379 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 6.09693 6.51469 6.21403 8.93126 4.07076 5.73203 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 6.09693 6.51469 6.21403 8.27742 6.32315 6.57379 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 5.24709 11.7526 8.84087 8.4088 5.23961 5.06715 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 5.24709 10.8306 6.32615 8.4088 5.23961 6.14686 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 5.24709 10.1184 7.73791 8.4088 5.23961 8.22942 numMergedOcc 0
22 mol 134 unq 7 iso 0 dist 5.24709 5.73959 6.75145 8.4088 5.23961 8.50502 numMergedOcc 0
23 mol 134 unq 8 iso 0 dist 5.24709 7.28943 8.1856 8.4088 5.23961 6.68164 numMergedOcc 0
24 mol 162 unq 0 iso 0 dist 7.64707 4.55959 8.30984 8.0852 3.91051 6.65272 numMergedOcc 0
25 mol 162 unq 1 iso 0 dist 7.64707 4.55959 8.30984 8.83222 3.88817 9.66989 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 8.30857 5.09374 7.60254 5.21801 4.02702 7.06851 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 5.25309 6.09218 7.05653 9.86015 4.98436 9.09234 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 5.25309 6.09218 7.05653 12.3619 11.9796 6.76746 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 5.25309 6.09218 7.05653 14.0951 12.3589 8.92098 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 9.24466 6.3413 6.78758 10.3317 4.00457 8.09249 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 6.65275 10.2228 7.57454 15.5568 12.8337 7.79951 numMergedOcc 0
