0 mol 11 unq 0 iso 0 dist 6.20956 6.49709 4.73237 5.51815 6.89666 4.61088 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.31896 9.28341 4.05028 5.58255 6.45858 6.38364 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.12062 8.36524 15.5673 7.16404 7.10899 14.4841 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.01552 5.50504 4.90701 6.53977 8.46556 6.72123 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 6.48746 9.56181 4.96726 7.70414 8.99491 9.67592 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 7.61666 9.86416 4.09882 5.88392 9.21173 12.9183 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.82522 8.07365 5.33325 7.94986 8.69069 12.5309 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 6.82522 8.07365 5.33325 14.1188 9.65047 7.27724 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 9.89353 6.86713 5.69671 10.538 8.69069 11.659 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 9.89353 6.86713 5.69671 9.70895 9.65047 8.03644 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 5.93206 9.23803 4.93112 6.32175 8.73648 8.58044 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 5.93206 8.05028 4.48038 6.32175 8.73648 9.97763 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 8.7347 7.02525 8.85684 8.50279 8.32241 12.1603 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.49649 8.31276 15.5462 11.9678 9.60369 13.9286 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.49649 8.31276 15.5462 13.0109 9.55556 15.281 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.49649 5.79157 6.36794 11.9678 9.60369 11.3835 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 8.49649 5.79157 6.36794 13.0109 9.55556 9.86662 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 8.49649 5.50687 5.73965 11.9678 9.60369 12.9594 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 8.49649 5.50687 5.73965 13.0109 9.55556 14.0375 numMergedOcc 0
19 mol 134 unq 6 iso 0 dist 8.49649 7.30919 11.0638 11.9678 9.60369 18.1911 numMergedOcc 0
20 mol 134 unq 7 iso 0 dist 8.49649 7.30919 11.0638 13.0109 9.55556 17.9288 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.22466 9.52413 11.7795 8.63909 8.96988 16.9818 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 6.28071 9.36732 9.8977 8.03208 6.25429 12.2168 numMergedOcc 0
23 mol 196 unq 1 iso 0 dist 6.28071 9.36732 9.8977 4.07683 6.87731 13.1575 numMergedOcc 0
24 mol 196 unq 2 iso 0 dist 6.28071 9.79271 4.59462 8.03208 6.25429 10.1741 numMergedOcc 0
25 mol 196 unq 3 iso 0 dist 6.28071 9.79271 4.59462 4.07683 6.87731 9.62191 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 4.38586 8.53615 8.65216 6.81165 8.6537 8.22528 numMergedOcc 0
27 mol 229 unq 1 iso 0 dist 4.38586 8.53615 8.65216 5.33253 8.75374 11.3979 numMergedOcc 0
28 mol 229 unq 2 iso 0 dist 4.38586 8.53615 8.65216 5.23042 7.10634 13.7165 numMergedOcc 0
29 mol 229 unq 3 iso 0 dist 4.38586 8.53615 8.65216 6.21905 5.57702 11.7165 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 6.91126 6.45574 6.84447 6.70342 9.11256 5.4638 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 9.48967 6.45574 7.38431 6.70342 7.08539 5.4638 numMergedOcc 0
32 mol 235 unq 2 iso 0 dist 6.43002 8.14407 7.38431 6.01036 7.08539 5.4638 numMergedOcc 0
33 mol 236 unq 0 iso 0 dist 6.79115 5.77925 4.38595 8.93012 9.89665 6.84306 numMergedOcc 0
34 mol 236 unq 1 iso 0 dist 6.79115 5.77925 4.38595 10.5925 9.05929 8.35971 numMergedOcc 0
35 mol 241 unq 0 iso 0 dist 5.66945 6.90245 6.72492 5.3674 8.40773 7.4631 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 8.07113 9.80409 4.49913 4.63237 8.65236 9.14619 numMergedOcc 0
37 mol 261 unq 1 iso 0 dist 8.07113 9.80409 4.49913 6.39263 9.73983 8.45658 numMergedOcc 0
38 mol 271 unq 0 iso 0 dist 9.27556 7.9494 6.3252 6.00331 9.56149 11.8164 numMergedOcc 0
