0 mol 10 unq 0 iso 0 dist 6.31531 12.7255 9.39017 13.5278 7.93277 5.83346 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.31531 12.7255 9.39017 4.83733 8.88888 11.9939 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 5.25583 4.12573 6.6691 6.62201 8.18139 9.59648 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 5.25583 5.83262 9.23807 6.62201 8.18139 8.43141 numMergedOcc 0
4 mol 12 unq 2 iso 0 dist 5.25583 10.5333 9.52857 6.62201 8.18139 5.21734 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 9.41816 6.51677 9.81761 4.02928 7.6477 4.98558 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.99735 4.31769 8.82709 5.41436 7.34325 5.20775 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 7.99735 4.31769 8.82709 6.53592 6.42037 8.11954 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 9.7516 7.10894 8.82709 9.58119 7.34325 5.20775 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 9.7516 7.10894 8.82709 12.1293 6.42037 8.11954 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 6.30202 6.12554 8.51959 3.83635 6.27293 3.94504 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 6.00684 6.0425 5.72627 5.22146 8.4416 4.03842 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 6.00684 6.0425 5.72627 9.79892 7.79538 3.81317 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 6.00684 11.8739 7.68741 5.22146 8.4416 10.6312 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 6.00684 11.8739 7.68741 9.79892 7.79538 4.08868 numMergedOcc 0
15 mol 79 unq 4 iso 0 dist 6.00684 12.1206 9.86085 5.22146 8.4416 10.2278 numMergedOcc 0
16 mol 79 unq 5 iso 0 dist 6.00684 12.1206 9.86085 9.79892 7.79538 5.64395 numMergedOcc 0
17 mol 79 unq 6 iso 0 dist 6.00684 11.9735 9.76351 5.22146 8.4416 9.78235 numMergedOcc 0
18 mol 79 unq 7 iso 0 dist 6.00684 11.9735 9.76351 9.79892 7.79538 6.06691 numMergedOcc 0
19 mol 83 unq 0 iso 0 dist 9.90769 7.07917 5.68212 9.63903 7.93119 4.29994 numMergedOcc 0
20 mol 83 unq 1 iso 0 dist 9.90769 7.07917 5.68212 14.347 5.25361 10.5584 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 5.77947 6.79948 9.78347 4.48277 7.03532 6.82259 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 7.61854 12.8555 5.91739 14.3613 8.75172 3.86189 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 8.19366 7.65583 7.85707 10.9386 8.90116 3.82506 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 8.17727 6.25614 9.5144 3.98157 7.38515 6.32029 numMergedOcc 0
