0 mol 26 unq 0 iso 0 dist 9.34599 7.54282 5.29055 5.34406 9.82851 8.97754 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.32127 7.54282 4.76998 5.34406 9.11311 8.97754 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.19084 4.61355 4.07933 4.38299 8.83986 5.4713 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 5.44722 5.92285 5.50712 7.49995 9.54145 8.93807 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.14607 4.88863 3.85627 7.39492 12.44 9.63906 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 8.14607 4.88863 3.85627 4.89623 11.1185 7.71872 numMergedOcc 0
6 mol 68 unq 2 iso 0 dist 7.38868 8.2282 3.85627 12.5033 12.44 9.63906 numMergedOcc 0
7 mol 68 unq 3 iso 0 dist 7.38868 8.2282 3.85627 11.778 11.1185 7.71872 numMergedOcc 0
8 mol 68 unq 4 iso 0 dist 9.04129 8.2282 7.15683 12.5033 16.364 9.63906 numMergedOcc 0
9 mol 68 unq 5 iso 0 dist 9.04129 8.2282 7.15683 11.778 14.1872 7.71872 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 5.98187 8.36221 7.17096 7.36026 8.90969 4.14492 numMergedOcc 0
11 mol 123 unq 1 iso 0 dist 7.42186 8.6441 7.17096 6.45068 8.90969 4.14492 numMergedOcc 0
12 mol 123 unq 2 iso 0 dist 9.47346 6.70684 7.17096 6.36283 8.90969 4.14492 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.45931 7.20083 11.0215 8.07317 8.40695 7.56563 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 6.35397 7.20083 10.7779 8.07317 11.1674 7.56563 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 5.92785 8.32647 7.81466 9.26049 10.6243 7.25623 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.38735 9.43325 5.65634 5.12831 11.9345 9.4366 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.89293 9.43325 3.87082 5.12831 8.2241 9.4366 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 9.47112 7.63908 5.19196 8.98996 6.81516 7.88986 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 9.47112 7.63908 5.19196 8.73701 12.4828 7.4185 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 8.07237 8.9694 3.91276 9.12568 9.06389 8.7434 numMergedOcc 0
21 mol 214 unq 1 iso 0 dist 8.95218 8.02723 3.91276 8.77167 9.06389 8.7434 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.37652 7.17095 4.00869 3.50723 11.7093 9.79673 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 8.37652 7.17095 4.00869 4.94807 6.24462 6.39673 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 6.78301 6.16312 4.08768 7.05389 9.81585 9.50001 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.1158 9.25759 4.93516 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.1158 9.25759 4.93516 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.1158 9.25759 4.93516 numMergedOcc 0
