0 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 14.1347 13.5562 7.71095 20.4157 17.7062 12.5396 8.84665 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 5.8166 8.97292 6.34748 14.1347 13.5562 7.71095 17.0558 13.4664 8.19458 8.25513 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 5.8166 6.85083 6.47721 7.35881 11.4657 7.17396 12.4944 12.2245 6.05545 9.21998 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 6.47468 8.97292 13.0793 14.1347 19.6226 7.71095 20.4157 24.4051 12.5396 8.84665 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 6.47468 8.97292 13.0793 14.1347 19.6226 7.71095 17.0558 20.5285 8.19458 8.25513 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 6.47468 6.85083 8.64013 7.35881 9.94491 7.17396 12.4944 13.1187 6.05545 9.21998 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 13.6601 7.225 8.8807 6.65086 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 17.6466 14.3348 12.6515 6.56369 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 18.8484 12.3318 13.887 9.30209 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 13.1328 10.482 5.83384 16.3001 11.2246 9.05135 9.61051 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.95717 6.38977 11.3296 6.82985 15.0724 8.40312 9.69757 15.665 5.55373 7.12972 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.95717 6.38977 11.3296 6.82985 15.0724 8.40312 12.5659 20.5602 10.7062 6.85062 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 8.95717 9.69757 15.665 6.82985 15.0724 7.12972 6.38977 11.3296 5.55373 8.40312 numMergedOcc 0
13 mol 131 unq 3 iso 0 dist 8.95717 9.69757 15.665 6.82985 15.0724 7.12972 12.5659 20.5602 6.63273 6.85062 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.2872 6.99089 7.46245 10.1742 13.9196 6.54501 9.54911 8.08748 5.79898 9.89303 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.2872 6.99089 7.46245 12.6542 13.403 6.49416 15.1189 11.4917 8.80819 8.94367 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 8.2872 6.99089 7.46245 12.6542 13.403 6.49416 11.6481 8.44345 5.00817 6.37586 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 7.33326 6.01118 5.84525 9.73148 12.5152 6.69288 10.064 9.37194 5.34677 6.43573 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 7.33326 6.01118 5.84525 9.73148 12.5152 6.69288 16.3874 17.0966 11.7381 7.17202 numMergedOcc 0
19 mol 178 unq 2 iso 0 dist 7.33326 6.01118 5.84525 9.73148 12.5152 6.69288 18.2053 19.4003 14.0703 8.81551 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.09371 9.93154 5.71921 6.78651 12.1015 9.34734 10.7118 11.672 6.99063 7.22101 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.09371 9.93154 5.71921 6.78651 12.1015 9.34734 13.6059 13.1977 7.60506 8.65997 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 9.09371 9.93154 5.71921 6.78651 12.1015 9.34734 9.18218 9.08864 7.43198 7.56888 numMergedOcc 0
23 mol 227 unq 3 iso 0 dist 9.09371 9.93154 5.71921 6.78651 12.1015 9.34734 6.18486 8.98613 9.51866 7.55216 numMergedOcc 0
24 mol 227 unq 4 iso 0 dist 9.09371 9.18218 9.08864 6.78651 12.1015 7.56888 9.93154 5.71921 7.43198 9.34734 numMergedOcc 0
25 mol 227 unq 5 iso 0 dist 9.09371 9.18218 9.08864 6.78651 12.1015 7.56888 10.7118 11.672 10.8658 7.22101 numMergedOcc 0
26 mol 227 unq 6 iso 0 dist 9.09371 9.18218 9.08864 6.78651 12.1015 7.56888 13.6059 13.1977 9.70012 8.65997 numMergedOcc 0
27 mol 227 unq 7 iso 0 dist 9.09371 9.18218 9.08864 6.78651 12.1015 7.56888 6.18486 8.98613 4.48529 7.55216 numMergedOcc 0
28 mol 227 unq 8 iso 0 dist 9.09371 6.18486 8.98613 6.78651 12.1015 7.55216 9.93154 5.71921 9.51866 9.34734 numMergedOcc 0
29 mol 227 unq 9 iso 0 dist 9.09371 6.18486 8.98613 6.78651 12.1015 7.55216 10.7118 11.672 12.4689 7.22101 numMergedOcc 0
30 mol 227 unq 10 iso 0 dist 9.09371 6.18486 8.98613 6.78651 12.1015 7.55216 13.6059 13.1977 12.9332 8.65997 numMergedOcc 0
31 mol 227 unq 11 iso 0 dist 9.09371 6.18486 8.98613 6.78651 12.1015 7.55216 9.18218 9.08864 4.48529 7.56888 numMergedOcc 0
32 mol 252 unq 0 iso 0 dist 9.31855 9.78185 13.943 17.5012 21.2167 8.33025 15.1099 17.7513 6.0987 8.1148 numMergedOcc 0
33 mol 252 unq 1 iso 0 dist 9.31855 9.78185 13.943 16.8096 22.8185 9.2288 15.1099 17.7513 6.0987 8.1715 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 14.1932 13.3627 8.13497 16.2468 10.3941 10.582 8.53687 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 9.33299 6.49599 7.32419 13.8605 12.9693 7.88519 9.34738 6.04412 4.86771 7.84554 numMergedOcc 0
36 mol 259 unq 2 iso 0 dist 9.33299 6.49599 7.32419 13.8605 12.9693 7.88519 9.47382 12.7868 6.96053 7.46176 numMergedOcc 0
37 mol 259 unq 3 iso 0 dist 9.33299 6.49599 7.32419 13.8605 12.9693 7.88519 14.8529 10.2099 10.4881 9.18903 numMergedOcc 0
38 mol 259 unq 4 iso 0 dist 9.33299 9.34738 6.04412 13.8605 12.9693 7.84554 6.49599 7.32419 4.86771 7.88519 numMergedOcc 0
39 mol 259 unq 5 iso 0 dist 9.33299 9.34738 6.04412 13.8605 12.9693 7.84554 9.47382 12.7868 7.64658 7.46176 numMergedOcc 0
40 mol 259 unq 6 iso 0 dist 9.33299 9.34738 6.04412 13.8605 12.9693 7.84554 14.8529 10.2099 5.87173 9.18903 numMergedOcc 0
41 mol 259 unq 7 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 6.49599 7.32419 6.96053 7.88519 numMergedOcc 0
42 mol 259 unq 8 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 9.34738 6.04412 7.64658 7.84554 numMergedOcc 0
43 mol 259 unq 9 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 14.8529 10.2099 10.5239 9.18903 numMergedOcc 0
44 mol 259 unq 10 iso 0 dist 9.49732 6.49599 11.0067 14.1932 16.342 8.13497 16.2468 21.044 10.582 8.53687 numMergedOcc 0
45 mol 259 unq 11 iso 0 dist 9.49732 6.49599 11.0067 13.8605 13.6279 7.88519 9.34738 11.569 4.86771 7.84554 numMergedOcc 0
46 mol 259 unq 12 iso 0 dist 9.49732 6.49599 11.0067 13.8605 13.6279 7.88519 9.47382 6.18571 6.96053 7.46176 numMergedOcc 0
47 mol 259 unq 13 iso 0 dist 9.49732 6.49599 11.0067 13.8605 13.6279 7.88519 14.8529 14.3101 10.4881 9.18903 numMergedOcc 0
48 mol 259 unq 14 iso 0 dist 9.49732 9.34738 11.569 13.8605 13.6279 7.84554 6.49599 11.0067 4.86771 7.88519 numMergedOcc 0
49 mol 259 unq 15 iso 0 dist 9.49732 9.34738 11.569 13.8605 13.6279 7.84554 9.47382 6.18571 7.64658 7.46176 numMergedOcc 0
50 mol 259 unq 16 iso 0 dist 9.49732 9.34738 11.569 13.8605 13.6279 7.84554 14.8529 14.3101 5.87173 9.18903 numMergedOcc 0
51 mol 259 unq 17 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 6.49599 11.0067 6.96053 7.88519 numMergedOcc 0
52 mol 259 unq 18 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 9.34738 11.569 7.64658 7.84554 numMergedOcc 0
53 mol 259 unq 19 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 14.8529 14.3101 10.5239 9.18903 numMergedOcc 0
54 mol 261 unq 0 iso 0 dist 9.0643 7.26647 6.80146 9.29412 14.3256 8.43057 10.6622 12.6108 10.0727 8.02547 numMergedOcc 0
55 mol 261 unq 1 iso 0 dist 9.0643 7.26647 6.80146 9.29412 14.3256 8.43057 7.7309 9.00992 4.63549 6.05727 numMergedOcc 0
56 mol 261 unq 2 iso 0 dist 9.0643 7.7309 9.00992 9.29412 14.3256 6.05727 10.6622 12.6108 5.51688 8.02547 numMergedOcc 0
57 mol 261 unq 3 iso 0 dist 9.0643 7.7309 9.00992 9.29412 14.3256 6.05727 7.26647 6.80146 4.63549 8.43057 numMergedOcc 0
58 mol 261 unq 4 iso 0 dist 7.4202 7.26647 12.9384 9.29412 13.9054 8.43057 10.6622 10.9829 10.0727 8.02547 numMergedOcc 0
59 mol 261 unq 5 iso 0 dist 7.4202 7.26647 12.9384 9.29412 13.9054 8.43057 7.7309 11.479 4.63549 6.05727 numMergedOcc 0
60 mol 261 unq 6 iso 0 dist 7.4202 7.7309 11.479 9.29412 13.9054 6.05727 10.6622 10.9829 5.51688 8.02547 numMergedOcc 0
61 mol 261 unq 7 iso 0 dist 7.4202 7.7309 11.479 9.29412 13.9054 6.05727 7.26647 12.9384 4.63549 8.43057 numMergedOcc 0
62 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 5.75852 11.1221 6.87396 12.2355 17.7816 6.88557 9.8993 numMergedOcc 0
63 mol 282 unq 0 iso 0 dist 7.28238 7.70229 6.17747 8.93697 12.9555 8.76532 10.9708 11.5782 10.0156 8.04483 numMergedOcc 0
64 mol 282 unq 1 iso 0 dist 7.28238 7.70229 6.17747 8.93697 12.9555 8.76532 7.90792 7.94567 4.66602 6.33524 numMergedOcc 0
65 mol 282 unq 2 iso 0 dist 7.28238 7.90792 7.94567 8.93697 12.9555 6.33524 10.9708 11.5782 5.39891 8.04483 numMergedOcc 0
66 mol 282 unq 3 iso 0 dist 7.28238 7.90792 7.94567 8.93697 12.9555 6.33524 7.70229 6.17747 4.66602 8.76532 numMergedOcc 0
67 mol 282 unq 4 iso 0 dist 7.3389 7.70229 13.1327 8.93697 12.9821 8.76532 10.9708 10.9773 10.0156 8.04483 numMergedOcc 0
68 mol 282 unq 5 iso 0 dist 7.3389 7.70229 13.1327 8.93697 12.9821 8.76532 7.90792 11.2762 4.66602 6.33524 numMergedOcc 0
69 mol 282 unq 6 iso 0 dist 7.3389 7.90792 11.2762 8.93697 12.9821 6.33524 10.9708 10.9773 5.39891 8.04483 numMergedOcc 0
70 mol 282 unq 7 iso 0 dist 7.3389 7.90792 11.2762 8.93697 12.9821 6.33524 7.70229 13.1327 4.66602 8.76532 numMergedOcc 0
