0 mol 18 unq 0 iso 0 dist 8.81762 8.1366 16.6589 6.91413 11.6899 9.146 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.32149 8.1366 10.8911 6.91413 5.53824 9.146 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.36524 6.20159 13.7039 8.8717 14.0576 4.77186 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.23258 8.11814 8.15001 5.85932 5.3502 3.24135 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 6.77833 9.54062 10.1702 4.67358 9.03317 5.93023 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 8.30653 9.29166 15.4825 9.33262 14.4239 5.93023 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 6.91739 9.29166 9.58894 9.33262 10.4473 5.93023 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.9795 8.58689 5.83941 8.82052 4.18004 4.34173 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 9.9795 7.82214 5.46695 8.82052 4.18004 6.47761 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.96446 7.69672 12.6706 7.05954 5.69731 7.43726 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 6.70686 7.69672 8.52106 7.05954 4.14907 7.43726 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 6.34542 9.76075 6.3561 6.90574 6.39411 12.0896 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 6.44195 5.7306 4.66975 6.03116 6.45768 3.44683 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 7.34207 5.7306 9.20471 6.03116 6.55507 3.44683 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.66837 8.71292 10.2936 5.32135 5.05506 10.0783 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 7.9895 7.71402 7.45933 6.6276 6.44546 8.73305 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 7.9895 4.74768 8.42327 6.6276 6.44546 5.07469 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 6.53913 7.71402 6.38496 6.6276 5.48292 8.73305 numMergedOcc 0
18 mol 167 unq 3 iso 0 dist 6.53913 4.74768 8.09332 6.6276 5.48292 5.07469 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 9.90891 6.28518 15.9553 7.47477 12.7863 9.9437 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.14464 9.7268 12.2034 6.06105 9.4364 8.12785 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 9.93754 9.7268 7.96183 6.06105 10.6484 8.12785 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.77366 9.81108 7.33449 9.57858 7.80935 9.59218 numMergedOcc 0
23 mol 237 unq 1 iso 0 dist 7.77366 9.81108 7.33449 6.96229 5.51666 4.83024 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 7.91348 6.38041 5.8401 9.45457 8.24423 5.52123 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 9.2067 9.95473 8.40328 8.43941 5.27959 3.42387 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 9.16078 9.95473 10.2114 8.43941 8.25921 3.42387 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 9.80409 9.00616 15.4874 5.67349 6.04016 9.46424 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 9.80409 6.35699 13.3429 5.67349 6.04016 7.48263 numMergedOcc 0
