0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 6.40447 8.09311 7.77964 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.11056 8.94703 4.79736 3.96014 9.05357 12.1034 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 6.29702 4.79873 7.44277 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.40051 5.77745 5.63212 13.591 9.48085 10.156 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.6396 5.77745 6.47509 10.0172 7.52933 11.842 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.6396 5.77745 6.47509 5.23233 6.55597 8.07318 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 8.6396 5.77745 6.47509 13.5673 9.71956 13.5069 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 8.6396 5.77745 6.47509 10.4709 7.07751 10.9998 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 8.6396 5.77745 6.47509 12.2787 8.23761 13.599 numMergedOcc 0
9 mol 25 unq 7 iso 0 dist 8.6396 5.77745 6.47509 13.591 9.49421 10.156 numMergedOcc 0
10 mol 25 unq 8 iso 0 dist 7.63928 8.27137 14.321 4.88495 7.99919 11.8043 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 7.2452 9.03564 8.77529 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 4.99692 9.22598 10.9762 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 4.99692 8.96727 10.9762 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 4.88613 8.85156 5.6823 3.70586 8.01308 12.4865 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 8.67532 9.762 5.9144 17.2466 8.72682 9.94443 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.67532 9.762 5.9144 10.2047 6.45841 10.7236 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 8.67532 9.762 5.9144 10.8441 5.61588 8.46627 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 8.67532 9.762 5.9144 15.2203 7.83244 9.22208 numMergedOcc 0
19 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 5.79134 9.6952 11.8245 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 8.55456 9.3948 17.8653 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 9.65047 9.70292 14.2178 3.84879 9.74607 11.7225 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 9.65047 9.59704 8.78079 8.55456 9.3948 14.0648 numMergedOcc 0
23 mol 95 unq 3 iso 0 dist 9.65047 9.59704 8.78079 3.84879 9.74607 12.4057 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 8.08642 7.07971 9.09348 numMergedOcc 0
25 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 8.08642 7.07971 12.0841 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.33827 7.69765 10.9431 numMergedOcc 0
27 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 12.6105 9.42082 14.3113 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 5.61881 8.84018 10.2505 numMergedOcc 0
29 mol 117 unq 1 iso 0 dist 8.90977 9.42037 3.55765 9.58747 8.84018 10.2505 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.92411 8.95212 14.339 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 8.44385 9.10803 12.4829 5.92411 6.99446 14.339 numMergedOcc 0
32 mol 119 unq 2 iso 0 dist 5.63005 9.10803 8.84069 5.92411 7.64052 14.339 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 9.60369 8.78303 4.46337 4.63732 9.66543 8.62504 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 4.63732 7.21868 8.62504 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 8.96988 9.18289 13.0315 3.6848 8.90571 10.4988 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 8.96988 6.52441 10.6555 3.6848 8.90571 9.98715 numMergedOcc 0
37 mol 186 unq 2 iso 0 dist 8.96988 6.26168 5.75483 3.6848 8.90571 8.5672 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 8.10287 5.06713 8.90569 3.50446 8.4844 5.03818 numMergedOcc 0
39 mol 205 unq 1 iso 0 dist 8.10287 8.69512 6.37317 3.50446 8.4844 6.40171 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 4.91709 5.56538 8.14294 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 7.85877 8.86886 8.34852 5.96186 7.48954 5.72 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 7.36905 9.13546 5.71153 3.63202 5.90924 9.78237 numMergedOcc 0
43 mol 264 unq 1 iso 0 dist 7.36905 8.7365 6.87635 3.63202 5.90924 9.95798 numMergedOcc 0
44 mol 264 unq 2 iso 0 dist 6.83408 9.13546 6.56539 3.63202 9.58916 9.78237 numMergedOcc 0
45 mol 264 unq 3 iso 0 dist 6.83408 8.7365 4.76241 3.63202 9.58916 9.95798 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 5.75596 9.7061 5.50627 6.65781 9.9182 10.3673 numMergedOcc 0
47 mol 292 unq 1 iso 0 dist 5.75596 9.7061 5.50627 4.00064 8.9221 13.5486 numMergedOcc 0
48 mol 292 unq 2 iso 0 dist 8.37867 9.7061 14.7162 6.65781 9.10788 10.3673 numMergedOcc 0
49 mol 292 unq 3 iso 0 dist 8.37867 9.7061 14.7162 4.00064 8.85064 13.5486 numMergedOcc 0
