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 27 unq 0 iso 0 dist 6.75307 9.21811 10.8132 7.34574 9.29273 15.3511 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.52676 6.86391 10.5941 14.6534 6.53981 16.9632 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 9.45931 7.20083 11.0215 8.07317 8.40695 7.56563 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 9.45931 7.20083 11.0215 5.69432 9.35867 10.0967 numMergedOcc 0
6 mol 141 unq 2 iso 0 dist 6.35397 7.20083 10.7779 5.69432 9.38036 10.0967 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 9.58371 6.22696 8.68377 13.3796 9.45696 16.0499 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.38735 9.43325 5.65634 10.6233 7.37629 9.89544 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 9.38735 9.43325 5.65634 11.0175 5.68985 9.84648 numMergedOcc 0
10 mol 186 unq 2 iso 0 dist 8.89293 9.43325 3.87082 5.12831 8.2241 9.4366 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 9.47112 7.63908 5.19196 8.98996 6.81516 7.88986 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 9.47112 7.63908 5.19196 17.5993 9.17562 12.8795 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 8.07237 8.9694 3.91276 9.12568 9.06389 8.7434 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 8.95218 8.02723 3.91276 8.77167 9.06389 8.7434 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 8.37652 7.17095 4.00869 4.94807 6.24462 6.39673 numMergedOcc 0
16 mol 250 unq 0 iso 0 dist 9.5174 9.41222 6.40609 9.31162 9.25035 14.1543 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 5.61727 6.52085 5.54042 3.39008 7.74874 9.65177 numMergedOcc 0
18 mol 284 unq 1 iso 0 dist 5.61727 9.84174 14.3479 3.39008 7.74874 11.1965 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.1158 9.25759 4.93516 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.1158 9.25759 4.93516 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.1158 9.25759 4.93516 numMergedOcc 0
