0 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 6.85083 6.47721 9.49235 7.2878 9.05547 6.85766 11.9709 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 5.8166 8.97292 6.34748 6.85083 6.47721 9.49235 14.1347 13.5562 7.71095 13.9238 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 5.8166 6.85083 6.47721 8.97292 6.34748 9.49235 7.35881 11.4657 7.17396 14.2252 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 6.47468 8.97292 13.0793 6.85083 8.64013 9.49235 7.2878 12.9592 6.85766 11.9709 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 6.47468 8.97292 13.0793 6.85083 8.64013 9.49235 14.1347 19.6226 7.71095 13.9238 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 6.47468 6.85083 8.64013 8.97292 13.0793 9.49235 7.35881 9.94491 7.17396 14.2252 numMergedOcc 0
6 mol 66 unq 0 iso 0 dist 7.1612 7.69019 5.95767 8.04639 6.43842 9.61194 5.89221 8.31793 8.96624 12.4286 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 6.06543 8.47567 5.59517 6.4595 9.24515 7.5732 10.1027 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 5.66196 6.06543 8.47567 5.87387 5.24877 5.59517 5.51609 11.0684 7.35754 10.1937 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.95717 6.38977 11.3296 9.64856 7.14559 7.50824 6.82985 15.0724 8.40312 13.724 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.95717 6.38977 11.3296 9.69757 15.665 5.55373 6.82985 15.0724 8.40312 7.12972 numMergedOcc 0
11 mol 131 unq 2 iso 0 dist 8.95717 9.69757 15.665 9.64856 7.14559 11.0599 6.82985 15.0724 7.12972 13.724 numMergedOcc 0
12 mol 131 unq 3 iso 0 dist 8.95717 9.69757 15.665 6.38977 11.3296 5.55373 6.82985 15.0724 7.12972 8.40312 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 8.48641 11.8999 4.35917 15.9368 17.544 7.7059 11.5751 numMergedOcc 0
14 mol 132 unq 1 iso 0 dist 7.14447 9.0339 11.6877 6.23573 5.77316 13.624 15.9368 17.544 7.7059 20.7565 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.09371 9.93154 5.71921 9.18218 9.08864 7.43198 6.78651 12.1015 9.34734 7.56888 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 9.09371 9.93154 5.71921 6.18486 8.98613 9.51866 6.78651 12.1015 9.34734 7.55216 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 9.09371 9.18218 9.08864 9.93154 5.71921 7.43198 6.78651 12.1015 7.56888 9.34734 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 9.09371 9.18218 9.08864 6.18486 8.98613 4.48529 6.78651 12.1015 7.56888 7.55216 numMergedOcc 0
19 mol 227 unq 4 iso 0 dist 9.09371 6.18486 8.98613 9.93154 5.71921 9.51866 6.78651 12.1015 7.55216 9.34734 numMergedOcc 0
20 mol 227 unq 5 iso 0 dist 9.09371 6.18486 8.98613 9.18218 9.08864 4.48529 6.78651 12.1015 7.55216 7.56888 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 9.2521 13.931 14.0328 10.4397 10.639 6.57393 10.0756 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 7.00773 9.82174 9.4693 8.51359 15.2654 15.8898 10.4397 10.639 6.57393 14.6071 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 7.00773 9.2521 13.931 9.82174 9.4693 14.0328 12.8083 15.3135 6.22714 13.1053 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 7.00773 9.2521 13.931 9.82174 9.4693 14.0328 10.1821 10.7268 7.31233 11.101 numMergedOcc 0
25 mol 238 unq 4 iso 0 dist 7.00773 9.2521 13.931 8.51359 15.2654 6.85126 12.8083 15.3135 6.22714 12.6642 numMergedOcc 0
26 mol 238 unq 5 iso 0 dist 7.00773 9.2521 13.931 8.51359 15.2654 6.85126 10.1821 10.7268 7.31233 13.1583 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 9.34738 6.04412 4.86771 14.1932 13.3627 8.13497 9.95973 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.33299 6.49599 7.32419 9.34738 6.04412 4.86771 13.8605 12.9693 7.88519 7.84554 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 9.33299 6.49599 7.32419 9.47382 12.7868 6.96053 14.1932 13.3627 8.13497 10.3935 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 9.33299 6.49599 7.32419 9.47382 12.7868 6.96053 13.8605 12.9693 7.88519 7.46176 numMergedOcc 0
31 mol 259 unq 4 iso 0 dist 9.33299 9.34738 6.04412 6.49599 7.32419 4.86771 13.8605 12.9693 7.84554 7.88519 numMergedOcc 0
32 mol 259 unq 5 iso 0 dist 9.33299 9.34738 6.04412 9.47382 12.7868 7.64658 13.8605 12.9693 7.84554 7.46176 numMergedOcc 0
33 mol 259 unq 6 iso 0 dist 9.33299 9.47382 12.7868 6.49599 7.32419 6.96053 13.8605 12.9693 7.46176 7.88519 numMergedOcc 0
34 mol 259 unq 7 iso 0 dist 9.33299 9.47382 12.7868 9.34738 6.04412 7.64658 13.8605 12.9693 7.46176 7.84554 numMergedOcc 0
35 mol 259 unq 8 iso 0 dist 9.49732 6.49599 11.0067 9.34738 11.569 4.86771 14.1932 16.342 8.13497 9.95973 numMergedOcc 0
36 mol 259 unq 9 iso 0 dist 9.49732 6.49599 11.0067 9.34738 11.569 4.86771 13.8605 13.6279 7.88519 7.84554 numMergedOcc 0
37 mol 259 unq 10 iso 0 dist 9.49732 6.49599 11.0067 9.47382 6.18571 6.96053 14.1932 16.342 8.13497 10.3935 numMergedOcc 0
38 mol 259 unq 11 iso 0 dist 9.49732 6.49599 11.0067 9.47382 6.18571 6.96053 13.8605 13.6279 7.88519 7.46176 numMergedOcc 0
39 mol 259 unq 12 iso 0 dist 9.49732 9.34738 11.569 6.49599 11.0067 4.86771 13.8605 13.6279 7.84554 7.88519 numMergedOcc 0
40 mol 259 unq 13 iso 0 dist 9.49732 9.34738 11.569 9.47382 6.18571 7.64658 13.8605 13.6279 7.84554 7.46176 numMergedOcc 0
41 mol 259 unq 14 iso 0 dist 9.49732 9.47382 6.18571 6.49599 11.0067 6.96053 13.8605 13.6279 7.46176 7.88519 numMergedOcc 0
42 mol 259 unq 15 iso 0 dist 9.49732 9.47382 6.18571 9.34738 11.569 7.64658 13.8605 13.6279 7.46176 7.84554 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 9.0643 7.26647 6.80146 7.7309 9.00992 4.63549 4.95196 11.0098 7.73141 10.0703 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 9.0643 7.26647 6.80146 7.7309 9.00992 4.63549 9.29412 14.3256 8.43057 6.05727 numMergedOcc 0
45 mol 261 unq 2 iso 0 dist 9.0643 7.7309 9.00992 7.26647 6.80146 4.63549 9.29412 14.3256 6.05727 8.43057 numMergedOcc 0
46 mol 261 unq 3 iso 0 dist 7.4202 7.26647 12.9384 7.7309 11.479 4.63549 4.95196 12.1654 7.73141 10.0703 numMergedOcc 0
47 mol 261 unq 4 iso 0 dist 7.4202 7.26647 12.9384 7.7309 11.479 4.63549 9.29412 13.9054 8.43057 6.05727 numMergedOcc 0
48 mol 261 unq 5 iso 0 dist 7.4202 7.7309 11.479 7.26647 12.9384 4.63549 9.29412 13.9054 6.05727 8.43057 numMergedOcc 0
49 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 6.24808 5.88008 8.84158 5.75852 11.1221 6.87396 11.1437 numMergedOcc 0
50 mol 282 unq 0 iso 0 dist 7.28238 7.70229 6.17747 7.90792 7.94567 4.66602 8.93697 12.9555 8.76532 6.33524 numMergedOcc 0
51 mol 282 unq 1 iso 0 dist 7.28238 7.90792 7.94567 7.70229 6.17747 4.66602 8.93697 12.9555 6.33524 8.76532 numMergedOcc 0
52 mol 282 unq 2 iso 0 dist 7.3389 7.70229 13.1327 7.90792 11.2762 4.66602 8.93697 12.9821 8.76532 6.33524 numMergedOcc 0
53 mol 282 unq 3 iso 0 dist 7.3389 7.90792 11.2762 7.70229 13.1327 4.66602 8.93697 12.9821 6.33524 8.76532 numMergedOcc 0
