0 mol 41 unq 0 iso 0 dist 8.91418 6.78868 6.73801 9.04462 6.26099 9.18836 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 8.91418 7.10946 6.42834 9.04462 6.26099 6.07294 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 6.0961 12.0084 6.73801 7.10635 6.26099 9.18836 numMergedOcc 0
3 mol 41 unq 3 iso 0 dist 6.0961 4.08339 6.42834 7.10635 6.26099 6.07294 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.70192 4.31746 9.0008 9.59265 12.2982 6.07108 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 5.70192 4.31746 9.0008 8.34804 13.1761 5.63802 numMergedOcc 0
6 mol 67 unq 2 iso 0 dist 7.65646 7.58981 9.0008 13.1115 12.2982 6.07108 numMergedOcc 0
7 mol 67 unq 3 iso 0 dist 7.65646 7.58981 9.0008 12.4225 13.1761 5.63802 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 9.07582 4.91535 5.9249 13.2638 6.26867 9.22889 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 9.07582 4.91535 5.9249 8.01516 5.79235 6.64915 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.57958 11.6798 7.1539 10.4835 9.81259 7.31426 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 7.57958 12.656 5.39745 13.348 7.31722 6.15654 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 8.42487 4.1431 9.07734 10.3436 5.54803 9.6403 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 7.50886 5.21101 9.83981 9.23064 10.8755 4.86767 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 7.25217 5.21101 6.13559 9.23064 5.27861 4.86767 numMergedOcc 0
15 mol 114 unq 2 iso 0 dist 6.96057 3.88006 6.51395 7.40577 4.8628 4.86767 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 9.77771 6.27901 6.50043 9.48667 7.14836 8.68292 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 8.07915 5.03347 8.28564 10.9866 5.85057 9.77704 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 9.56248 5.04427 6.64779 12.4802 8.94838 9.31172 numMergedOcc 0
19 mol 174 unq 0 iso 0 dist 8.3622 4.01137 7.47932 4.77805 6.26251 5.07761 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 9.554 12.3981 9.75763 15.2986 12.848 4.88303 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 9.42374 8.11161 7.10526 14.1329 5.64245 9.23676 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 9.61294 6.36084 7.17337 12.8152 4.87212 8.27761 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 8.56029 8.73566 7.48235 12.1342 7.96744 8.30195 numMergedOcc 0
