0 mol 11 unq 0 iso 0 dist 9.97185 8.50802 6.27964 6.56346 6.79478 4.37231 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.97185 4.42747 5.8689 6.56346 6.79478 4.80143 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.90417 4.39945 8.21723 8.69179 8.0614 4.98967 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 7.61813 6.18864 8.45308 5.73599 9.58625 4.4691 numMergedOcc 0
4 mol 89 unq 1 iso 0 dist 7.61813 6.18864 8.45308 7.8379 6.36021 8.3977 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 6.9902 4.32693 7.28942 16.2567 9.59261 15.3149 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.9902 4.32693 7.28942 9.83687 6.67936 6.69791 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 6.9902 4.32693 7.28942 12.0258 8.25817 10.9221 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 8.33541 10.2955 7.28942 15.8807 9.59261 15.3149 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 8.33541 10.2955 7.28942 10.6448 6.67936 6.69791 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 8.33541 10.2955 7.28942 5.58126 8.25817 10.9221 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.15823 7.68073 6.98876 9.52583 7.88564 4.58978 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.63401 6.94348 6.98876 11.4398 7.88564 4.58978 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 5.98822 4.87865 5.38954 7.16387 7.70533 5.17524 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 6.00571 7.85553 9.78409 13.0804 8.40046 11.3174 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 9.0788 4.5649 7.79845 12.7224 7.70349 10.5943 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 7.38809 9.71446 9.65375 9.36045 8.68464 17.1285 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 6.05991 13.3231 9.5831 6.48163 5.89084 11.5103 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 6.05991 13.3231 9.5831 10.6392 8.47009 4.98993 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 7.19903 10.293 5.69868 10.7361 9.37996 5.04077 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 5.11475 4.53925 8.49619 9.59126 9.01085 12.0886 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 5.11475 4.53925 8.49619 6.41758 6.28512 7.58851 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 5.11475 12.1153 9.23807 9.59126 9.01085 5.0006 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 5.11475 12.1153 9.23807 6.41758 6.28512 7.59549 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 9.0062 11.4927 7.2491 5.23192 8.71213 12.5075 numMergedOcc 0
25 mol 285 unq 1 iso 0 dist 8.72607 11.0822 7.2491 9.00041 8.71213 12.5075 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 6.20852 12.8252 7.6859 6.05371 6.47832 9.07177 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 6.20852 10.7883 8.35722 6.05371 6.47832 5.08625 numMergedOcc 0
