0 mol 5 unq 0 iso 0 dist 8.25372 7.57575 7.95876 4.55134 4.98321 4.21127 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.87762 12.9926 7.18022 12.2504 7.01952 4.55481 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.21762 12.9926 6.24711 12.2504 4.58552 4.55481 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.06787 5.87231 7.28228 9.58409 5.40489 5.46827 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 6.86162 6.60662 9.2898 4.55988 8.77529 9.67727 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 5.82829 5.44752 6.56212 4.80894 8.66724 6.08003 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.65006 5.27863 8.23026 10.0759 9.08825 6.46372 numMergedOcc 0
7 mol 89 unq 0 iso 0 dist 8.54514 5.73599 8.40422 13.6511 8.05579 10.6632 numMergedOcc 0
8 mol 89 unq 1 iso 0 dist 8.54514 10.3618 8.40425 13.6511 8.05579 9.32983 numMergedOcc 0
9 mol 89 unq 2 iso 0 dist 8.54514 12.1722 7.47974 13.6511 8.05579 10.4274 numMergedOcc 0
10 mol 89 unq 3 iso 0 dist 8.54514 7.8379 5.51831 13.6511 8.05579 6.13636 numMergedOcc 0
11 mol 89 unq 4 iso 0 dist 8.54514 10.8901 9.65149 13.6511 8.05579 6.14929 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 7.85265 9.7247 9.16718 12.8099 9.17843 4.4598 numMergedOcc 0
13 mol 105 unq 1 iso 0 dist 7.85265 6.37983 7.94633 12.8099 9.17843 8.50101 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 8.59002 10.2526 7.7988 7.60323 6.96745 11.0625 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 8.59002 12.1073 9.40824 7.60323 6.96745 14.5726 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 8.59002 6.7184 4.22363 7.60323 6.96745 9.05551 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 8.25027 4.28997 7.22643 5.815 7.48208 4.88025 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 9.11877 6.99924 5.37047 12.9512 9.29944 7.39837 numMergedOcc 0
19 mol 146 unq 0 iso 0 dist 8.82192 7.05046 9.04757 13.2008 7.78784 8.33152 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 9.19254 4.7924 7.37333 9.64824 9.43904 5.65603 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.09756 5.01462 8.90571 5.565 8.5672 5.75483 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 5.09756 6.15341 6.61112 5.565 8.5672 10.8286 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 8.18482 5.11128 9.31526 11.3881 9.91727 12.1607 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.3407 8.9058 7.21137 9.68207 5.03818 4.3093 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 6.3407 8.9058 7.21137 4.60102 6.40171 7.94891 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 6.3407 10.4602 8.4844 9.68207 5.03818 8.90569 numMergedOcc 0
27 mol 205 unq 3 iso 0 dist 6.3407 10.4602 8.4844 4.60102 6.40171 6.37317 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.79613 5.02064 5.56538 10.415 8.14294 8.34852 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 4.58113 6.87089 8.14831 7.03597 6.46405 6.28241 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 7.42359 13.504 8.69318 5.69077 8.30024 10.2068 numMergedOcc 0
31 mol 243 unq 1 iso 0 dist 7.42359 13.504 8.69318 9.70906 8.20943 5.74165 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 8.71745 9.92863 9.9886 3.66719 7.89938 6.73772 numMergedOcc 0
