0 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 18.2379 12.5396 8.84665 13.1891 8.19458 8.25513 6.40295 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 7.67586 11.7065 7.71095 13.1891 8.19458 8.25513 18.2379 12.5396 8.84665 6.40295 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.97292 14.1347 7.71095 20.4157 12.5396 8.84665 17.0558 8.19458 8.25513 6.40295 numMergedOcc 0
3 mol 59 unq 1 iso 1 dist 8.97292 14.1347 7.71095 17.0558 8.19458 8.25513 20.4157 12.5396 8.84665 6.40295 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 13.6601 8.8807 6.65086 17.6466 12.6515 6.56369 7.80879 numMergedOcc 0
5 mol 100 unq 0 iso 1 dist 5.09688 12.2879 7.47343 17.6466 12.6515 6.56369 13.6601 8.8807 6.65086 7.80879 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 13.6601 8.8807 6.65086 18.8484 13.887 9.30209 5.38414 numMergedOcc 0
7 mol 100 unq 1 iso 1 dist 5.09688 12.2879 7.47343 18.8484 13.887 9.30209 13.6601 8.8807 6.65086 5.38414 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 17.6466 12.6515 6.56369 18.8484 13.887 9.30209 6.39938 numMergedOcc 0
9 mol 100 unq 1 iso 1 dist 5.09688 12.2879 7.47343 18.8484 13.887 9.30209 17.6466 12.6515 6.56369 6.39938 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 9.26343 16.4386 7.47343 16.1978 8.8807 6.65086 21.6939 12.6515 6.56369 7.80879 numMergedOcc 0
11 mol 100 unq 2 iso 1 dist 9.26343 16.4386 7.47343 21.6939 12.6515 6.56369 16.1978 8.8807 6.65086 7.80879 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 16.1978 8.8807 6.65086 21.5791 13.887 9.30209 5.38414 numMergedOcc 0
13 mol 100 unq 3 iso 1 dist 9.26343 16.4386 7.47343 21.5791 13.887 9.30209 16.1978 8.8807 6.65086 5.38414 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 21.6939 12.6515 6.56369 21.5791 13.887 9.30209 6.39938 numMergedOcc 0
15 mol 100 unq 3 iso 1 dist 9.26343 16.4386 7.47343 21.5791 13.887 9.30209 21.6939 12.6515 6.56369 6.39938 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 13.8525 7.22206 7.83136 15.4634 9.3584 7.0603 7.21564 numMergedOcc 0
17 mol 117 unq 0 iso 1 dist 9.41387 9.3855 7.90328 15.4634 9.3584 7.0603 13.8525 7.22206 7.83136 7.21564 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 9.69757 5.55373 7.12972 12.5659 10.7062 6.85062 6.63273 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 6.38977 6.82985 8.40312 12.5659 10.7062 6.85062 9.69757 5.55373 7.12972 6.63273 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 9.69757 6.82985 7.12972 6.38977 5.55373 8.40312 12.5659 6.63273 6.85062 10.7062 numMergedOcc 0
21 mol 131 unq 1 iso 1 dist 9.69757 6.82985 7.12972 12.5659 6.63273 6.85062 6.38977 5.55373 8.40312 10.7062 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 6.99089 12.6542 6.49416 15.1189 8.80819 8.94367 11.6481 5.00817 6.37586 5.49782 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 6.99089 12.6542 6.49416 11.6481 5.00817 6.37586 15.1189 8.80819 8.94367 5.49782 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 12.2418 5.56175 8.94056 10.8849 8.38403 9.83699 11.2719 numMergedOcc 0
25 mol 156 unq 0 iso 1 dist 7.80643 6.52984 7.44554 10.8849 8.38403 9.83699 12.2418 5.56175 8.94056 11.2719 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 7.04318 6.2715 5.6234 11.9173 8.16421 6.57069 5.35493 numMergedOcc 0
27 mol 175 unq 0 iso 1 dist 8.50904 8.09861 9.0018 11.9173 8.16421 6.57069 7.04318 6.2715 5.6234 5.35493 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 7.04318 8.09861 5.6234 8.50904 6.2715 9.0018 11.9173 5.35493 6.57069 8.16421 numMergedOcc 0
29 mol 175 unq 1 iso 1 dist 7.04318 8.09861 5.6234 11.9173 5.35493 6.57069 8.50904 6.2715 9.0018 8.16421 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 10.064 5.34677 6.43573 16.3874 11.7381 7.17202 9.89739 numMergedOcc 0
31 mol 178 unq 0 iso 1 dist 6.01118 9.73148 6.69288 16.3874 11.7381 7.17202 10.064 5.34677 6.43573 9.89739 numMergedOcc 0
32 mol 178 unq 1 iso 0 dist 6.01118 9.73148 6.69288 10.064 5.34677 6.43573 18.2053 14.0703 8.81551 10.5529 numMergedOcc 0
33 mol 178 unq 1 iso 1 dist 6.01118 9.73148 6.69288 18.2053 14.0703 8.81551 10.064 5.34677 6.43573 10.5529 numMergedOcc 0
34 mol 178 unq 1 iso 0 dist 6.01118 9.73148 6.69288 16.3874 11.7381 7.17202 18.2053 14.0703 8.81551 5.18005 numMergedOcc 0
35 mol 178 unq 1 iso 1 dist 6.01118 9.73148 6.69288 18.2053 14.0703 8.81551 16.3874 11.7381 7.17202 5.18005 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 11.6406 13.3522 8.01589 9.43484 5.24516 7.7699 10.4579 numMergedOcc 0
37 mol 222 unq 0 iso 1 dist 7.14277 4.02914 7.21333 9.43484 5.24516 7.7699 11.6406 13.3522 8.01589 10.4579 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 13.6059 7.60506 8.65997 5.22356 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 10.7118 6.99063 7.22101 5.22356 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 9.18218 7.43198 7.56888 10.8658 numMergedOcc 0
41 mol 227 unq 1 iso 1 dist 9.93154 6.78651 9.34734 9.18218 7.43198 7.56888 10.7118 6.99063 7.22101 10.8658 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 6.18486 9.51866 7.55216 12.4689 numMergedOcc 0
43 mol 227 unq 2 iso 1 dist 9.93154 6.78651 9.34734 6.18486 9.51866 7.55216 10.7118 6.99063 7.22101 12.4689 numMergedOcc 0
44 mol 227 unq 1 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 9.18218 7.43198 7.56888 9.70012 numMergedOcc 0
45 mol 227 unq 1 iso 1 dist 9.93154 6.78651 9.34734 9.18218 7.43198 7.56888 13.6059 7.60506 8.65997 9.70012 numMergedOcc 0
46 mol 227 unq 2 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 6.18486 9.51866 7.55216 12.9332 numMergedOcc 0
47 mol 227 unq 2 iso 1 dist 9.93154 6.78651 9.34734 6.18486 9.51866 7.55216 13.6059 7.60506 8.65997 12.9332 numMergedOcc 0
48 mol 227 unq 2 iso 0 dist 9.93154 6.78651 9.34734 9.18218 7.43198 7.56888 6.18486 9.51866 7.55216 4.48529 numMergedOcc 0
49 mol 227 unq 2 iso 1 dist 9.93154 6.78651 9.34734 6.18486 9.51866 7.55216 9.18218 7.43198 7.56888 4.48529 numMergedOcc 0
50 mol 227 unq 3 iso 0 dist 9.18218 6.78651 7.56888 9.93154 7.43198 9.34734 10.7118 10.8658 7.22101 6.99063 numMergedOcc 0
51 mol 227 unq 3 iso 1 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 9.93154 7.43198 9.34734 6.99063 numMergedOcc 0
52 mol 227 unq 4 iso 0 dist 9.18218 6.78651 7.56888 9.93154 7.43198 9.34734 13.6059 9.70012 8.65997 7.60506 numMergedOcc 0
53 mol 227 unq 4 iso 1 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 9.93154 7.43198 9.34734 7.60506 numMergedOcc 0
54 mol 227 unq 5 iso 0 dist 9.18218 6.78651 7.56888 9.93154 7.43198 9.34734 6.18486 4.48529 7.55216 9.51866 numMergedOcc 0
55 mol 227 unq 5 iso 1 dist 9.18218 6.78651 7.56888 6.18486 4.48529 7.55216 9.93154 7.43198 9.34734 9.51866 numMergedOcc 0
56 mol 227 unq 4 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 13.6059 9.70012 8.65997 5.22356 numMergedOcc 0
57 mol 227 unq 4 iso 1 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 10.7118 10.8658 7.22101 5.22356 numMergedOcc 0
58 mol 227 unq 5 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 6.18486 4.48529 7.55216 12.4689 numMergedOcc 0
59 mol 227 unq 5 iso 1 dist 9.18218 6.78651 7.56888 6.18486 4.48529 7.55216 10.7118 10.8658 7.22101 12.4689 numMergedOcc 0
60 mol 227 unq 5 iso 0 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 6.18486 4.48529 7.55216 12.9332 numMergedOcc 0
61 mol 227 unq 5 iso 1 dist 9.18218 6.78651 7.56888 6.18486 4.48529 7.55216 13.6059 9.70012 8.65997 12.9332 numMergedOcc 0
62 mol 227 unq 6 iso 0 dist 6.18486 6.78651 7.55216 9.93154 9.51866 9.34734 10.7118 12.4689 7.22101 6.99063 numMergedOcc 0
63 mol 227 unq 6 iso 1 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 9.93154 9.51866 9.34734 6.99063 numMergedOcc 0
64 mol 227 unq 7 iso 0 dist 6.18486 6.78651 7.55216 9.93154 9.51866 9.34734 13.6059 12.9332 8.65997 7.60506 numMergedOcc 0
65 mol 227 unq 7 iso 1 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 9.93154 9.51866 9.34734 7.60506 numMergedOcc 0
66 mol 227 unq 8 iso 0 dist 6.18486 6.78651 7.55216 9.93154 9.51866 9.34734 9.18218 4.48529 7.56888 7.43198 numMergedOcc 0
67 mol 227 unq 8 iso 1 dist 6.18486 6.78651 7.55216 9.18218 4.48529 7.56888 9.93154 9.51866 9.34734 7.43198 numMergedOcc 0
68 mol 227 unq 7 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 13.6059 12.9332 8.65997 5.22356 numMergedOcc 0
69 mol 227 unq 7 iso 1 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 10.7118 12.4689 7.22101 5.22356 numMergedOcc 0
70 mol 227 unq 8 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 9.18218 4.48529 7.56888 10.8658 numMergedOcc 0
71 mol 227 unq 8 iso 1 dist 6.18486 6.78651 7.55216 9.18218 4.48529 7.56888 10.7118 12.4689 7.22101 10.8658 numMergedOcc 0
72 mol 227 unq 8 iso 0 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 9.18218 4.48529 7.56888 9.70012 numMergedOcc 0
73 mol 227 unq 8 iso 1 dist 6.18486 6.78651 7.55216 9.18218 4.48529 7.56888 13.6059 12.9332 8.65997 9.70012 numMergedOcc 0
74 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 12.8567 10.8081 7.69895 10.9878 5.86196 7.21521 5.55137 numMergedOcc 0
75 mol 248 unq 0 iso 1 dist 8.34646 6.21372 8.2965 10.9878 5.86196 7.21521 12.8567 10.8081 7.69895 5.55137 numMergedOcc 0
76 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 9.34738 4.86771 7.84554 9.47382 6.96053 7.46176 7.64658 numMergedOcc 0
77 mol 259 unq 0 iso 1 dist 6.49599 13.8605 7.88519 9.47382 6.96053 7.46176 9.34738 4.86771 7.84554 7.64658 numMergedOcc 0
78 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 9.34738 4.86771 7.84554 14.8529 10.4881 9.18903 5.87173 numMergedOcc 0
79 mol 259 unq 1 iso 1 dist 6.49599 13.8605 7.88519 14.8529 10.4881 9.18903 9.34738 4.86771 7.84554 5.87173 numMergedOcc 0
80 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 9.47382 6.96053 7.46176 14.8529 10.4881 9.18903 10.5239 numMergedOcc 0
81 mol 259 unq 1 iso 1 dist 6.49599 13.8605 7.88519 14.8529 10.4881 9.18903 9.47382 6.96053 7.46176 10.5239 numMergedOcc 0
82 mol 259 unq 2 iso 0 dist 9.34738 13.8605 7.84554 6.49599 4.86771 7.88519 9.47382 7.64658 7.46176 6.96053 numMergedOcc 0
83 mol 259 unq 2 iso 1 dist 9.34738 13.8605 7.84554 9.47382 7.64658 7.46176 6.49599 4.86771 7.88519 6.96053 numMergedOcc 0
84 mol 259 unq 3 iso 0 dist 9.34738 13.8605 7.84554 6.49599 4.86771 7.88519 14.8529 5.87173 9.18903 10.4881 numMergedOcc 0
85 mol 259 unq 3 iso 1 dist 9.34738 13.8605 7.84554 14.8529 5.87173 9.18903 6.49599 4.86771 7.88519 10.4881 numMergedOcc 0
86 mol 259 unq 3 iso 0 dist 9.34738 13.8605 7.84554 9.47382 7.64658 7.46176 14.8529 5.87173 9.18903 10.5239 numMergedOcc 0
87 mol 259 unq 3 iso 1 dist 9.34738 13.8605 7.84554 14.8529 5.87173 9.18903 9.47382 7.64658 7.46176 10.5239 numMergedOcc 0
88 mol 259 unq 4 iso 0 dist 9.47382 13.8605 7.46176 6.49599 6.96053 7.88519 9.34738 7.64658 7.84554 4.86771 numMergedOcc 0
89 mol 259 unq 4 iso 1 dist 9.47382 13.8605 7.46176 9.34738 7.64658 7.84554 6.49599 6.96053 7.88519 4.86771 numMergedOcc 0
90 mol 259 unq 5 iso 0 dist 9.47382 13.8605 7.46176 6.49599 6.96053 7.88519 14.8529 10.5239 9.18903 10.4881 numMergedOcc 0
91 mol 259 unq 5 iso 1 dist 9.47382 13.8605 7.46176 14.8529 10.5239 9.18903 6.49599 6.96053 7.88519 10.4881 numMergedOcc 0
92 mol 259 unq 5 iso 0 dist 9.47382 13.8605 7.46176 9.34738 7.64658 7.84554 14.8529 10.5239 9.18903 5.87173 numMergedOcc 0
93 mol 259 unq 5 iso 1 dist 9.47382 13.8605 7.46176 14.8529 10.5239 9.18903 9.34738 7.64658 7.84554 5.87173 numMergedOcc 0
94 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 10.6622 10.0727 8.02547 7.7309 4.63549 6.05727 5.51688 numMergedOcc 0
95 mol 261 unq 0 iso 1 dist 7.26647 9.29412 8.43057 7.7309 4.63549 6.05727 10.6622 10.0727 8.02547 5.51688 numMergedOcc 0
96 mol 261 unq 1 iso 0 dist 7.7309 9.29412 6.05727 10.6622 5.51688 8.02547 7.26647 4.63549 8.43057 10.0727 numMergedOcc 0
97 mol 261 unq 1 iso 1 dist 7.7309 9.29412 6.05727 7.26647 4.63549 8.43057 10.6622 5.51688 8.02547 10.0727 numMergedOcc 0
98 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 10.9708 10.0156 8.04483 7.90792 4.66602 6.33524 5.39891 numMergedOcc 0
99 mol 282 unq 0 iso 1 dist 7.70229 8.93697 8.76532 7.90792 4.66602 6.33524 10.9708 10.0156 8.04483 5.39891 numMergedOcc 0
100 mol 282 unq 1 iso 0 dist 7.90792 8.93697 6.33524 10.9708 5.39891 8.04483 7.70229 4.66602 8.76532 10.0156 numMergedOcc 0
101 mol 282 unq 1 iso 1 dist 7.90792 8.93697 6.33524 7.70229 4.66602 8.76532 10.9708 5.39891 8.04483 10.0156 numMergedOcc 0
