0 mol 24 unq 0 iso 0 dist 8.3964 5.65754 9.63925 10.6642 4.90592 9.65174 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 5.65754 9.63925 8.81498 9.36461 11.5255 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 4.5673 6.87036 3.61653 8.72181 9.32898 12.7323 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 11.155 8.70863 12.217 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.18097 8.49887 7.66499 11.155 8.70863 14.7286 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 8.83135 9.43839 5.22259 15.3247 8.70863 12.217 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.6186 8.01266 4.15826 5.00872 8.57827 7.87729 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 4.86767 7.4113 3.67473 8.16908 9.35942 12.8816 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 4.86767 7.4113 3.67473 9.20674 7.42482 6.4569 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 9.2638 9.12145 14.6696 8.61652 8.79367 17.537 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 9.2638 8.11048 8.478 8.61652 8.79367 14.1636 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.49831 8.09561 5.83776 5.49264 5.06613 5.42715 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 8.49831 9.07315 11.2086 5.49264 5.06613 9.70575 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 9.31025 9.88912 6.17752 7.6506 7.14263 9.56342 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 9.31025 9.46218 15.8538 7.6506 7.14263 15.8429 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 5.4455 7.56217 3.7326 10.3444 6.37788 5.13892 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 5.4455 7.56217 3.7326 14.1482 8.7028 8.2232 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 5.4455 9.81055 7.29209 10.3444 6.37788 5.78717 numMergedOcc 0
18 mol 194 unq 3 iso 0 dist 5.4455 9.81055 7.29209 14.1482 8.7028 10.3448 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 8.82861 6.46946 8.56684 12.0796 5.91727 12.6342 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 8.85051 8.01593 6.2222 5.02022 6.34832 6.31092 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 4.60689 8.15091 6.3738 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 9.29788 9.05161 5.57952 4.60689 8.15091 9.2313 numMergedOcc 0
23 mol 253 unq 2 iso 0 dist 9.50983 9.31626 5.68255 9.18036 8.15091 6.3738 numMergedOcc 0
24 mol 253 unq 3 iso 0 dist 9.50983 9.77366 5.57952 9.18036 8.15091 9.2313 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 8.86801 9.30035 6.85669 15.7876 8.13034 13.2333 numMergedOcc 0
26 mol 272 unq 1 iso 0 dist 7.15093 9.51185 6.85669 11.2381 8.13034 13.2333 numMergedOcc 0
