0 mol 0 unq 0 iso 0 dist 8.85565 7.79297 7.49611 11.7303 11.0244 7.65806 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.05483 6.49709 11.0953 5.51815 12.338 4.61088 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.34858 8.06275 5.90113 5.5249 9.17086 8.80331 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.34858 8.06275 5.90113 10.4413 10.615 6.20293 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 7.68652 6.77833 14.2824 5.33532 7.63663 9.65964 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.35806 7.96299 12.0807 6.75623 13.0609 5.83409 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 4.48773 7.96299 6.1985 6.75623 8.44515 5.83409 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 7.83167 9.61812 7.77542 11.5079 13.6846 8.87449 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 9.2958 8.84131 9.50884 8.90571 14.9145 7.36792 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.37661 6.71345 9.52181 6.49725 11.8382 7.5732 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.17664 8.64107 12.4408 4.82909 11.7088 4.99221 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 9.17664 9.50575 5.47689 6.68557 6.55511 5.11551 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 9.18913 8.43116 5.47689 4.96719 6.55511 5.11551 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 9.18913 6.23645 6.00348 4.96719 6.55511 7.11972 numMergedOcc 0
14 mol 115 unq 4 iso 0 dist 9.18913 6.23645 6.00348 6.47836 12.6252 6.90986 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 9.71402 8.47907 11.9943 9.75696 18.0518 8.37808 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.82079 7.5055 7.33132 10.9541 9.79004 8.22656 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 8.82079 7.5055 7.33132 5.61003 8.43069 6.82262 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 6.56224 8.95433 10.4303 11.0811 15.5187 7.11802 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.16832 5.79157 6.34069 13.0109 13.2555 9.86662 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.16832 5.79157 6.34069 14.1608 14.0187 9.71307 numMergedOcc 0
21 mol 142 unq 0 iso 0 dist 6.54706 8.86346 6.01403 16.7609 14.3662 9.2313 numMergedOcc 0
22 mol 142 unq 1 iso 0 dist 6.54706 8.86346 6.01403 13.5268 13.2109 7.73169 numMergedOcc 0
23 mol 142 unq 2 iso 0 dist 6.54706 8.86346 6.01403 12.1759 13.7988 8.96657 numMergedOcc 0
24 mol 142 unq 3 iso 0 dist 4.56239 4.93681 6.01403 12.8283 14.3662 9.2313 numMergedOcc 0
25 mol 142 unq 4 iso 0 dist 4.56239 4.93681 6.01403 10.1677 13.2109 7.73169 numMergedOcc 0
26 mol 142 unq 5 iso 0 dist 4.56239 4.93681 6.01403 10.0866 13.7988 8.96657 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 7.24761 8.04723 12.0146 14.4072 17.977 6.69288 numMergedOcc 0
28 mol 178 unq 1 iso 0 dist 7.24761 8.04723 12.0146 13.0519 18.2855 6.43573 numMergedOcc 0
29 mol 178 unq 2 iso 0 dist 7.24761 8.04723 12.0146 10.5681 13.3555 7.17202 numMergedOcc 0
30 mol 178 unq 3 iso 0 dist 7.24761 8.04723 12.0146 9.1499 13.9421 8.81551 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 8.8328 9.74465 5.32859 8.42326 11.0615 8.03334 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.23909 9.25882 9.15058 9.40714 13.3872 7.80463 numMergedOcc 0
33 mol 209 unq 0 iso 0 dist 7.95916 5.92907 12.1401 5.35615 12.0618 7.56373 numMergedOcc 0
34 mol 231 unq 0 iso 0 dist 9.79495 6.02527 6.39215 6.68357 12.9999 7.37839 numMergedOcc 0
35 mol 231 unq 1 iso 0 dist 9.79495 6.02527 6.39215 7.6832 12.3939 8.40182 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 9.20248 8.82778 4.77446 11.4665 6.83046 6.16342 numMergedOcc 0
37 mol 243 unq 0 iso 0 dist 7.36479 7.80612 7.95216 9.62983 12.7318 8.23192 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 9.12695 9.80409 10.7859 4.63237 10.1373 9.14619 numMergedOcc 0
39 mol 261 unq 1 iso 0 dist 9.12695 9.80409 10.7859 6.39263 13.9801 8.45658 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 6.89781 9.13226 6.04536 10.7073 12.1604 7.56915 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 6.89781 9.13226 6.04536 11.3302 11.4986 8.49997 numMergedOcc 0
