0 mol 18 unq 0 iso 0 dist 8.95294 14.2239 8.80193 12.5254 9.35863 3.84273 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.95294 14.2239 8.80193 4.95319 5.04478 11.0746 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 7.19022 9.66486 8.80193 7.25833 9.35863 3.84273 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 7.19022 9.66486 8.80193 6.19959 5.04478 11.0746 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 9.34916 11.5409 6.93185 12.4315 9.35562 3.76294 numMergedOcc 0
5 mol 21 unq 1 iso 0 dist 9.34916 11.5409 6.93185 9.03671 8.63857 12.9404 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 6.76514 5.31805 4.62858 11.5622 8.74576 6.30042 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.62709 7.29857 5.55096 6.3858 5.81001 4.06745 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.22513 4.80291 7.03226 9.90706 9.4866 10.1364 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 7.81181 7.62766 5.79343 6.76872 5.51885 4.08391 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.28362 6.3353 6.75145 4.87576 8.50502 5.23961 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 5.60137 6.3353 8.1856 4.87576 6.68164 5.23961 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 6.68441 4.02361 6.72852 6.59167 8.88492 5.72663 numMergedOcc 0
13 mol 159 unq 1 iso 0 dist 6.68441 9.90351 8.52082 6.59167 8.88492 13.0629 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 9.13913 10.735 8.41245 15.1639 8.62366 16.0084 numMergedOcc 0
15 mol 173 unq 1 iso 0 dist 9.13913 10.735 8.41245 15.4654 9.44973 13.8465 numMergedOcc 0
16 mol 173 unq 2 iso 0 dist 9.13913 10.735 8.41245 15.2591 6.52508 11.2063 numMergedOcc 0
17 mol 173 unq 3 iso 0 dist 9.13913 14.6187 6.64779 15.1639 8.62366 11.3761 numMergedOcc 0
18 mol 173 unq 4 iso 0 dist 9.13913 14.6187 6.64779 15.4654 9.44973 9.90783 numMergedOcc 0
19 mol 173 unq 5 iso 0 dist 9.13913 14.6187 6.64779 15.2591 6.52508 4.60149 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 9.75763 6.45756 9.82588 9.72539 9.32333 5.66395 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 6.52001 5.65165 9.82588 5.49738 9.32333 5.66395 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.83326 15.2051 8.09718 5.27781 8.69525 15.3328 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.83326 10.3525 6.73446 5.27781 8.69525 10.3346 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 6.19514 13.5391 8.09718 4.12472 8.69525 15.3328 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 6.19514 9.75263 6.73446 4.12472 8.69525 10.3346 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 6.10834 4.99186 9.24367 7.51644 6.0283 9.85432 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 8.24233 8.17282 9.24367 3.75346 6.0283 9.85432 numMergedOcc 0
28 mol 279 unq 2 iso 0 dist 8.50767 14.2536 9.24367 5.03816 6.0283 9.85432 numMergedOcc 0
