0 mol 43 unq 0 iso 0 dist 8.81562 7.95541 8.25915 15.9294 9.30704 9.81007 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.32525 5.22165 6.7739 9.05444 3.20411 8.3318 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 9.05444 5.22165 8.3318 9.32525 3.20411 6.7739 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 7.69755 10.7694 9.55089 11.7964 5.72008 7.22942 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 9.64197 10.9198 9.55089 11.9669 5.72008 7.22942 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 6.34669 7.30364 9.22123 13.6006 12.0834 7.36335 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.61645 10.9929 7.36335 15.7218 12.0834 9.22123 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.44027 5.40647 9.15802 10.8178 8.64032 7.37377 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 8.11813 7.40992 7.36025 11.2906 6.13173 9.60251 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.12558 7.38452 7.53168 11.5996 10.7858 5.18805 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.12558 7.38452 7.53168 13.5014 13.6003 7.11158 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 5.93144 9.78341 5.03758 10.7877 4.90692 4.63353 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 8.79752 5.22451 7.69241 12.4032 15.3937 8.56192 numMergedOcc 0
13 mol 176 unq 1 iso 0 dist 8.79752 5.22451 7.69241 7.29985 8.45723 7.77962 numMergedOcc 0
14 mol 176 unq 2 iso 0 dist 8.79752 5.22451 7.69241 7.58281 5.3861 8.6431 numMergedOcc 0
15 mol 176 unq 3 iso 0 dist 7.29985 5.22451 7.77962 8.79752 8.45723 7.69241 numMergedOcc 0
16 mol 176 unq 4 iso 0 dist 7.29985 5.22451 7.77962 12.4032 12.8513 8.56192 numMergedOcc 0
17 mol 176 unq 5 iso 0 dist 7.29985 5.22451 7.77962 7.58281 4.47711 8.6431 numMergedOcc 0
18 mol 176 unq 6 iso 0 dist 7.58281 5.22451 8.6431 8.79752 5.3861 7.69241 numMergedOcc 0
19 mol 176 unq 7 iso 0 dist 7.58281 5.22451 8.6431 12.4032 15.7589 8.56192 numMergedOcc 0
20 mol 176 unq 8 iso 0 dist 7.58281 5.22451 8.6431 7.29985 4.47711 7.77962 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 7.80268 6.08414 4.77438 11.0859 4.68134 8.58178 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 7.80268 6.08414 4.77438 10.7359 5.97875 5.73344 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 6.93942 8.79627 9.137 9.05161 3.10832 8.0127 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 9.05161 8.79627 8.0127 6.93942 3.10832 9.137 numMergedOcc 0
25 mol 253 unq 2 iso 0 dist 9.31626 5.05272 9.137 9.77366 3.10832 8.0127 numMergedOcc 0
26 mol 253 unq 3 iso 0 dist 9.77366 5.05272 8.0127 9.31626 3.10832 9.137 numMergedOcc 0
27 mol 254 unq 0 iso 0 dist 5.83039 8.16645 9.70628 6.74364 2.67738 7.98511 numMergedOcc 0
28 mol 254 unq 1 iso 0 dist 6.74364 8.16645 7.98511 5.83039 2.67738 9.70628 numMergedOcc 0
