0 mol 52 unq 0 iso 0 dist 5.95004 8.38301 5.43618 6.33113 6.55902 9.98967 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.51894 8.27592 3.83043 5.32317 8.61861 6.97408 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 8.27592 8.51894 3.83043 5.32317 6.97408 8.61861 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.95094 7.53504 9.51715 9.58688 7.99116 15.905 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.95094 7.53504 9.51715 7.8217 9.19481 14.2894 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.95094 8.66342 11.6754 9.58688 7.99116 16.5019 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 6.95094 8.66342 11.6754 7.8217 9.19481 16.4523 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 6.95094 7.21285 7.64038 9.58688 7.99116 13.4403 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 6.95094 7.21285 7.64038 7.8217 9.19481 14.2165 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 9.61113 7.59973 7.56811 10.8124 7.18097 12.6022 numMergedOcc 0
10 mol 108 unq 0 iso 0 dist 7.59313 7.98377 5.90635 4.28786 9.83301 10.9293 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 5.50364 8.7301 8.09035 6.3223 9.77097 12.3744 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.74966 5.34451 8.38946 12.127 5.29515 12.3584 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 9.87914 6.6175 9.00126 12.1375 5.16917 12.677 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.98636 6.67598 5.58471 17.4843 8.60938 12.5665 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 8.98636 8.79185 10.9842 17.4843 8.60938 17.0448 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.17063 9.99332 4.5403 7.90631 5.65801 8.58733 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 9.17063 7.13369 13.1862 7.90631 5.65801 13.0128 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 9.99332 9.17063 4.5403 7.90631 8.58733 5.65801 numMergedOcc 0
19 mol 173 unq 3 iso 0 dist 9.99332 7.13369 11.2682 7.90631 8.58733 13.0128 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 9.26518 7.68078 14.3861 5.20757 8.53457 11.3772 numMergedOcc 0
21 mol 223 unq 0 iso 0 dist 7.70946 9.86372 4.44825 5.88785 9.35643 12.3167 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.05503 9.30966 11.568 15.7578 9.77134 16.3054 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 8.05503 5.38704 6.07831 15.7578 9.77134 13.6014 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 5.59151 8.26695 6.07831 14.2728 9.77134 13.6014 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 5.59151 8.17922 12.757 14.2728 9.77134 18.9667 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 5.25218 8.18179 11.6836 5.15042 4.96272 12.5559 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 5.25218 7.45556 5.67158 5.15042 4.96272 9.99383 numMergedOcc 0
28 mol 279 unq 2 iso 0 dist 8.31465 9.51355 11.6836 5.21882 4.96272 12.5559 numMergedOcc 0
29 mol 279 unq 3 iso 0 dist 7.88102 7.93694 4.88223 8.4307 4.96272 7.31569 numMergedOcc 0
30 mol 279 unq 4 iso 0 dist 7.93694 7.88102 4.88223 8.4307 7.31569 4.96272 numMergedOcc 0
