0 mol 24 unq 0 iso 0 dist 9.69752 9.41655 7.02381 6.803 7.18485 4.10458 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.69752 6.803 7.18485 9.41655 7.02381 4.10458 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.36461 9.41655 14.1137 6.803 13.4584 4.10458 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 9.36461 6.803 13.4584 9.41655 14.1137 4.10458 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 7.40415 8.75468 10.4406 7.62989 12.0524 4.35316 numMergedOcc 0
5 mol 28 unq 0 iso 1 dist 7.40415 7.62989 12.0524 8.75468 10.4406 4.35316 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 7.40415 8.75468 10.4406 5.70238 10.0581 10.5327 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 7.40415 5.70238 10.0581 8.75468 10.4406 10.5327 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 7.40415 7.62989 12.0524 5.70238 10.0581 8.14155 numMergedOcc 0
9 mol 28 unq 1 iso 1 dist 7.40415 5.70238 10.0581 7.62989 12.0524 8.14155 numMergedOcc 0
10 mol 34 unq 0 iso 0 dist 6.15801 9.31883 9.92713 9.475 10.6518 3.56021 numMergedOcc 0
11 mol 34 unq 0 iso 1 dist 6.15801 9.475 10.6518 9.31883 9.92713 3.56021 numMergedOcc 0
12 mol 34 unq 1 iso 0 dist 6.15801 9.31883 9.92713 8.34011 5.94977 5.8452 numMergedOcc 0
13 mol 34 unq 1 iso 1 dist 6.15801 8.34011 5.94977 9.31883 9.92713 5.8452 numMergedOcc 0
14 mol 34 unq 2 iso 0 dist 6.15801 9.31883 9.92713 6.29842 6.35031 14.6218 numMergedOcc 0
15 mol 34 unq 2 iso 1 dist 6.15801 6.29842 6.35031 9.31883 9.92713 14.6218 numMergedOcc 0
16 mol 34 unq 1 iso 0 dist 6.15801 9.475 10.6518 8.34011 5.94977 5.86087 numMergedOcc 0
17 mol 34 unq 1 iso 1 dist 6.15801 8.34011 5.94977 9.475 10.6518 5.86087 numMergedOcc 0
18 mol 34 unq 2 iso 0 dist 6.15801 9.475 10.6518 6.29842 6.35031 14.7594 numMergedOcc 0
19 mol 34 unq 2 iso 1 dist 6.15801 6.29842 6.35031 9.475 10.6518 14.7594 numMergedOcc 0
20 mol 34 unq 2 iso 0 dist 6.15801 8.34011 5.94977 6.29842 6.35031 11.4891 numMergedOcc 0
21 mol 34 unq 2 iso 1 dist 6.15801 6.29842 6.35031 8.34011 5.94977 11.4891 numMergedOcc 0
22 mol 34 unq 3 iso 0 dist 9.63403 9.31883 15.7295 9.475 16.8534 3.56021 numMergedOcc 0
23 mol 34 unq 3 iso 1 dist 9.63403 9.475 16.8534 9.31883 15.7295 3.56021 numMergedOcc 0
24 mol 34 unq 4 iso 0 dist 9.63403 9.31883 15.7295 8.34011 12.3865 5.8452 numMergedOcc 0
25 mol 34 unq 4 iso 1 dist 9.63403 8.34011 12.3865 9.31883 15.7295 5.8452 numMergedOcc 0
26 mol 34 unq 5 iso 0 dist 9.63403 9.31883 15.7295 6.29842 5.50427 14.6218 numMergedOcc 0
27 mol 34 unq 5 iso 1 dist 9.63403 6.29842 5.50427 9.31883 15.7295 14.6218 numMergedOcc 0
28 mol 34 unq 4 iso 0 dist 9.63403 9.475 16.8534 8.34011 12.3865 5.86087 numMergedOcc 0
29 mol 34 unq 4 iso 1 dist 9.63403 8.34011 12.3865 9.475 16.8534 5.86087 numMergedOcc 0
30 mol 34 unq 5 iso 0 dist 9.63403 9.475 16.8534 6.29842 5.50427 14.7594 numMergedOcc 0
31 mol 34 unq 5 iso 1 dist 9.63403 6.29842 5.50427 9.475 16.8534 14.7594 numMergedOcc 0
32 mol 34 unq 5 iso 0 dist 9.63403 8.34011 12.3865 6.29842 5.50427 11.4891 numMergedOcc 0
33 mol 34 unq 5 iso 1 dist 9.63403 6.29842 5.50427 8.34011 12.3865 11.4891 numMergedOcc 0
34 mol 34 unq 6 iso 0 dist 8.07314 9.31883 16.4972 9.475 15.5365 3.56021 numMergedOcc 0
35 mol 34 unq 6 iso 1 dist 8.07314 9.475 15.5365 9.31883 16.4972 3.56021 numMergedOcc 0
36 mol 34 unq 7 iso 0 dist 8.07314 9.31883 16.4972 8.34011 13.3825 5.8452 numMergedOcc 0
37 mol 34 unq 7 iso 1 dist 8.07314 8.34011 13.3825 9.31883 16.4972 5.8452 numMergedOcc 0
38 mol 34 unq 8 iso 0 dist 8.07314 9.31883 16.4972 6.29842 5.12822 14.6218 numMergedOcc 0
39 mol 34 unq 8 iso 1 dist 8.07314 6.29842 5.12822 9.31883 16.4972 14.6218 numMergedOcc 0
40 mol 34 unq 7 iso 0 dist 8.07314 9.475 15.5365 8.34011 13.3825 5.86087 numMergedOcc 0
41 mol 34 unq 7 iso 1 dist 8.07314 8.34011 13.3825 9.475 15.5365 5.86087 numMergedOcc 0
42 mol 34 unq 8 iso 0 dist 8.07314 9.475 15.5365 6.29842 5.12822 14.7594 numMergedOcc 0
43 mol 34 unq 8 iso 1 dist 8.07314 6.29842 5.12822 9.475 15.5365 14.7594 numMergedOcc 0
44 mol 34 unq 8 iso 0 dist 8.07314 8.34011 13.3825 6.29842 5.12822 11.4891 numMergedOcc 0
45 mol 34 unq 8 iso 1 dist 8.07314 6.29842 5.12822 8.34011 13.3825 11.4891 numMergedOcc 0
46 mol 48 unq 0 iso 0 dist 7.59316 5.54554 8.98812 6.84514 3.50984 8.33924 numMergedOcc 0
47 mol 48 unq 0 iso 1 dist 7.59316 6.84514 3.50984 5.54554 8.98812 8.33924 numMergedOcc 0
48 mol 48 unq 1 iso 0 dist 7.59316 5.54554 8.98812 8.95402 12.69 6.91279 numMergedOcc 0
49 mol 48 unq 1 iso 1 dist 7.59316 8.95402 12.69 5.54554 8.98812 6.91279 numMergedOcc 0
50 mol 48 unq 1 iso 0 dist 7.59316 6.84514 3.50984 8.95402 12.69 10.0905 numMergedOcc 0
51 mol 48 unq 1 iso 1 dist 7.59316 8.95402 12.69 6.84514 3.50984 10.0905 numMergedOcc 0
52 mol 48 unq 2 iso 0 dist 7.51285 5.5232 9.01489 7.05619 3.65036 8.45701 numMergedOcc 0
53 mol 48 unq 2 iso 1 dist 7.51285 7.05619 3.65036 5.5232 9.01489 8.45701 numMergedOcc 0
54 mol 73 unq 0 iso 0 dist 7.62738 8.59337 12.1293 7.66942 15.0139 8.86418 numMergedOcc 0
55 mol 73 unq 0 iso 1 dist 7.62738 7.66942 15.0139 8.59337 12.1293 8.86418 numMergedOcc 0
56 mol 143 unq 0 iso 0 dist 6.95372 8.56866 6.36052 5.66207 4.5497 10.0717 numMergedOcc 0
57 mol 143 unq 0 iso 1 dist 6.95372 5.66207 4.5497 8.56866 6.36052 10.0717 numMergedOcc 0
58 mol 147 unq 0 iso 0 dist 7.25644 7.19893 13.5462 6.37938 13.2259 5.61172 numMergedOcc 0
59 mol 147 unq 0 iso 1 dist 7.25644 6.37938 13.2259 7.19893 13.5462 5.61172 numMergedOcc 0
60 mol 152 unq 0 iso 0 dist 5.06613 5.42715 5.83776 9.70575 11.2086 6.01609 numMergedOcc 0
61 mol 152 unq 0 iso 1 dist 5.06613 9.70575 11.2086 5.42715 5.83776 6.01609 numMergedOcc 0
62 mol 182 unq 0 iso 0 dist 8.43933 9.19506 11.8933 9.94904 7.36876 9.21043 numMergedOcc 0
63 mol 182 unq 0 iso 1 dist 8.43933 9.94904 7.36876 9.19506 11.8933 9.21043 numMergedOcc 0
64 mol 182 unq 1 iso 0 dist 8.43933 9.19506 11.8933 9.30893 4.17332 13.7057 numMergedOcc 0
65 mol 182 unq 1 iso 1 dist 8.43933 9.30893 4.17332 9.19506 11.8933 13.7057 numMergedOcc 0
66 mol 182 unq 1 iso 0 dist 8.43933 9.94904 7.36876 9.30893 4.17332 6.78442 numMergedOcc 0
67 mol 182 unq 1 iso 1 dist 8.43933 9.30893 4.17332 9.94904 7.36876 6.78442 numMergedOcc 0
68 mol 182 unq 2 iso 0 dist 8.2169 8.62437 7.36876 7.07405 4.17332 6.78442 numMergedOcc 0
69 mol 182 unq 2 iso 1 dist 8.2169 7.07405 4.17332 8.62437 7.36876 6.78442 numMergedOcc 0
70 mol 182 unq 3 iso 0 dist 8.52103 8.62437 3.73864 7.07405 3.85553 6.78442 numMergedOcc 0
71 mol 182 unq 3 iso 1 dist 8.52103 7.07405 3.85553 8.62437 3.73864 6.78442 numMergedOcc 0
72 mol 194 unq 0 iso 0 dist 6.37788 5.13892 3.7326 5.78717 7.29209 3.78714 numMergedOcc 0
73 mol 194 unq 0 iso 1 dist 6.37788 5.78717 7.29209 5.13892 3.7326 3.78714 numMergedOcc 0
74 mol 218 unq 0 iso 0 dist 8.3087 8.98941 8.98584 6.45381 3.90135 6.94905 numMergedOcc 0
75 mol 218 unq 0 iso 1 dist 8.3087 6.45381 3.90135 8.98941 8.98584 6.94905 numMergedOcc 0
76 mol 218 unq 1 iso 0 dist 9.32945 6.62738 7.3057 7.13254 10.5867 5.51725 numMergedOcc 0
77 mol 218 unq 1 iso 1 dist 9.32945 7.13254 10.5867 6.62738 7.3057 5.51725 numMergedOcc 0
78 mol 237 unq 0 iso 0 dist 6.07878 8.96803 4.50383 7.95072 11.9967 16.0493 numMergedOcc 0
79 mol 237 unq 0 iso 1 dist 6.07878 7.95072 11.9967 8.96803 4.50383 16.0493 numMergedOcc 0
80 mol 237 unq 1 iso 0 dist 7.80422 8.96803 9.41259 7.95072 9.68512 16.0493 numMergedOcc 0
81 mol 237 unq 1 iso 1 dist 7.80422 7.95072 9.68512 8.96803 9.41259 16.0493 numMergedOcc 0
82 mol 237 unq 2 iso 0 dist 5.06628 8.96803 12.5736 7.95072 3.68966 16.0493 numMergedOcc 0
83 mol 237 unq 2 iso 1 dist 5.06628 7.95072 3.68966 8.96803 12.5736 16.0493 numMergedOcc 0
84 mol 253 unq 0 iso 0 dist 8.15091 9.86765 10.4961 6.3738 5.68255 5.35859 numMergedOcc 0
85 mol 253 unq 0 iso 1 dist 8.15091 6.3738 5.68255 9.86765 10.4961 5.35859 numMergedOcc 0
86 mol 257 unq 0 iso 0 dist 6.82575 6.11157 3.96862 8.97744 5.74474 5.38367 numMergedOcc 0
87 mol 257 unq 0 iso 1 dist 6.82575 8.97744 5.74474 6.11157 3.96862 5.38367 numMergedOcc 0
