0 mol 8 unq 0 iso 0 dist 6.68091 4.04843 8.68949 11.4765 9.95165 11.3943 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 7.41772 5.2746 6.06732 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 8.41842 10.1727 7.44828 7.41772 5.2746 9.54828 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 8.55004 7.24502 8.84151 11.8998 9.42071 10.9244 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 12.6838 6.0478 12.4017 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.34804 5.66613 5.80736 12.6838 6.0478 8.30757 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.01516 15.8477 8.64686 11.7786 6.07578 6.15669 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.01516 15.8477 8.64686 8.13672 9.56449 13.819 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.37819 12.1737 8.15664 4.98638 5.22996 8.98815 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 7.52954 6.38538 8.078 8.05738 9.7695 12.8915 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 7.52954 6.78021 6.56481 8.05738 9.7695 6.09055 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 10.6499 8.84146 6.3404 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 10.2473 8.84146 6.3404 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 9.7589 7.73112 7.18976 9.18927 4.83761 6.62221 numMergedOcc 0
14 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 4.61769 9.84729 5.53327 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.20851 5.93953 6.19457 5.31547 6.81707 5.04086 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 13.4719 9.42862 4.07871 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 8.40718 12.8445 8.41232 13.4719 9.42862 8.05131 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 8.04161 8.31564 8.13432 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 7.47852 5.9027 7.65121 7.01029 8.768 10.8204 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 6.22332 4.95393 7.65121 11.2993 8.768 10.8204 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 5.75755 3.99138 7.39596 7.78418 9.3376 10.7216 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 7.93817 4.73439 7.70472 5.81296 8.54245 6.65791 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 7.93817 9.17097 9.16988 5.81296 8.54245 8.93852 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 5.43868 9.96947 8.51703 6.97343 6.46092 5.0005 numMergedOcc 0
25 mol 250 unq 1 iso 0 dist 9.80833 9.96947 5.07895 6.97343 7.65382 5.0005 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 10.7175 9.98606 16.41 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 6.28023 5.02003 9.34051 4.85537 9.4626 5.53273 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 9.56601 12.0471 8.03486 5.95068 7.5355 10.4013 numMergedOcc 0
29 mol 293 unq 0 iso 0 dist 4.66962 4.13058 6.52889 8.02484 9.5388 4.99805 numMergedOcc 0
