0 mol 11 unq 0 iso 0 dist 6.49709 5.59847 4.10106 7.4835 5.95165 6.50001 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 4.93826 8.40051 5.77745 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.15015 8.3224 9.67807 6.21952 11.1688 5.14358 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 7.15015 7.54379 6.29623 5.06613 10.6133 7.51725 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 3.68549 8.3224 6.54878 6.21952 6.88974 5.14358 numMergedOcc 0
5 mol 30 unq 3 iso 0 dist 3.68549 7.54379 4.20285 5.06613 5.5814 7.51725 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 5.36895 4.29713 7.18662 7.70428 9.1366 4.47883 numMergedOcc 0
7 mol 41 unq 1 iso 0 dist 5.36895 4.29713 7.18662 10.1969 12.8854 6.07514 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 7.90775 5.96246 8.28518 4.84407 12.5791 9.70292 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 8.49531 5.96246 7.26851 4.84407 8.69069 9.70292 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.26438 6.62354 5.00433 6.24804 11.1103 9.46621 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 9.26438 6.62354 5.00433 9.97562 8.3164 9.94704 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 6.43255 8.00085 5.00433 14.8896 11.1103 9.46621 numMergedOcc 0
13 mol 109 unq 3 iso 0 dist 6.43255 8.00085 5.00433 13.5611 8.3164 9.94704 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.42271 6.14652 12.3479 13.5949 16.0579 8.78303 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 6.28961 8.89822 5.7891 14.3008 11.0485 6.27683 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 6.28961 8.89822 5.7891 12.1929 10.908 7.1757 numMergedOcc 0
17 mol 188 unq 0 iso 0 dist 8.67271 7.03264 10.0989 5.23978 13.5056 7.6482 numMergedOcc 0
18 mol 188 unq 1 iso 0 dist 8.67271 6.32826 6.47015 5.23978 13.5056 9.30803 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 5.82039 9.36144 7.89575 8.60571 9.78438 8.79378 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 6.22964 9.36144 5.14674 8.60571 10.1863 8.79378 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 8.95071 5.9625 10.5937 5.05085 6.11137 9.94117 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 6.44657 7.12723 10.8644 9.78456 12.0919 8.27917 numMergedOcc 0
