0 mol 15 unq 0 iso 0 dist 8.3794 10.0572 6.31608 12.8887 5.33641 5.7147 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 9.17529 4.42115 5.59658 10.3789 3.84273 8.11835 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.50475 8.48678 7.11491 12.7934 8.23404 7.78689 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.66163 3.85292 7.11491 10.4843 8.23404 7.78689 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.48288 6.44604 7.11491 8.8645 8.23404 7.78689 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.1796 3.72746 7.1829 10.0593 8.13327 7.70645 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 9.16212 6.4561 7.1829 8.3491 8.13327 7.70645 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 5.33546 4.13187 6.86517 8.26763 3.99035 9.04293 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 5.33546 4.13187 6.86517 6.30814 4.53016 4.78333 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 5.72627 4.15002 6.2576 8.4416 4.03842 7.92114 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 5.72627 4.15002 6.2576 7.79538 3.81317 8.18375 numMergedOcc 0
11 mol 79 unq 4 iso 0 dist 7.68741 4.15002 8.96069 8.4416 10.6312 7.92114 numMergedOcc 0
12 mol 79 unq 5 iso 0 dist 7.68741 4.15002 8.96069 7.79538 4.08868 8.18375 numMergedOcc 0
13 mol 79 unq 6 iso 0 dist 9.76351 4.15002 7.56495 8.4416 9.78235 7.92114 numMergedOcc 0
14 mol 79 unq 7 iso 0 dist 9.76351 4.15002 7.56495 7.79538 6.06691 8.18375 numMergedOcc 0
15 mol 83 unq 0 iso 0 dist 5.68212 4.48523 8.99451 5.25361 10.5584 5.35861 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.81111 15.2238 8.40695 16.3216 11.0215 7.56563 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 9.05844 13.4181 6.90583 14.5152 9.84473 5.95801 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 9.05844 6.84162 6.75593 14.5152 9.84473 9.92715 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 6.69487 3.91702 4.6512 8.58389 4.09908 6.77583 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 5.24076 3.60864 6.12453 8.18217 12.6805 7.0961 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 5.24076 3.60864 6.12453 5.51167 4.02702 8.21227 numMergedOcc 0
22 mol 168 unq 2 iso 0 dist 5.24076 3.60864 6.12453 9.35431 7.61798 6.53038 numMergedOcc 0
23 mol 168 unq 3 iso 0 dist 5.24076 7.08284 9.87447 8.18217 12.6805 8.26768 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 5.82321 10.1931 7.85698 7.06772 7.40692 7.65903 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.53237 5.28021 5.25762 6.84679 12.7314 9.34653 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 4.65126 3.87593 5.25762 13.0432 12.7314 9.34653 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 5.82124 6.3474 5.05626 8.71354 3.94038 8.49349 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 5.82124 10.6456 8.41013 8.71354 3.94038 6.50654 numMergedOcc 0
29 mol 214 unq 2 iso 0 dist 8.31236 8.44414 5.05626 9.51538 3.94038 8.49349 numMergedOcc 0
30 mol 214 unq 3 iso 0 dist 8.31236 7.47595 8.41013 9.51538 3.94038 6.50654 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 8.07169 9.37282 8.77098 8.30375 3.80663 8.62266 numMergedOcc 0
