0 mol 24 unq 0 iso 0 dist 9.38831 9.69752 10.025 9.41655 15.0537 7.02381 6.803 12.8421 7.18485 4.10458 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.38831 9.69752 10.025 6.803 12.8421 7.18485 9.41655 15.0537 7.02381 4.10458 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.38831 9.36461 6.99746 9.41655 15.0537 14.1137 6.803 12.8421 13.4584 4.10458 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 9.38831 9.36461 6.99746 6.803 12.8421 13.4584 9.41655 15.0537 14.1137 4.10458 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.72965 7.40415 12.67 8.75468 7.39132 10.4406 7.62989 5.28861 12.0524 4.35316 numMergedOcc 0
5 mol 28 unq 0 iso 1 dist 9.72965 7.40415 12.67 7.62989 5.28861 12.0524 8.75468 7.39132 10.4406 4.35316 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 9.72965 7.40415 12.67 8.75468 7.39132 10.4406 5.70238 6.94261 10.0581 10.5327 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 9.72965 7.40415 12.67 5.70238 6.94261 10.0581 8.75468 7.39132 10.4406 10.5327 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 9.72965 7.40415 12.67 7.62989 5.28861 12.0524 5.70238 6.94261 10.0581 8.14155 numMergedOcc 0
9 mol 28 unq 1 iso 1 dist 9.72965 7.40415 12.67 5.70238 6.94261 10.0581 7.62989 5.28861 12.0524 8.14155 numMergedOcc 0
10 mol 28 unq 2 iso 0 dist 5.63315 7.40415 7.00226 8.75468 13.2225 10.4406 7.62989 12.3695 12.0524 4.35316 numMergedOcc 0
11 mol 28 unq 2 iso 1 dist 5.63315 7.40415 7.00226 7.62989 12.3695 12.0524 8.75468 13.2225 10.4406 4.35316 numMergedOcc 0
12 mol 28 unq 3 iso 0 dist 5.63315 7.40415 7.00226 8.75468 13.2225 10.4406 5.70238 6.33375 10.0581 10.5327 numMergedOcc 0
13 mol 28 unq 3 iso 1 dist 5.63315 7.40415 7.00226 5.70238 6.33375 10.0581 8.75468 13.2225 10.4406 10.5327 numMergedOcc 0
14 mol 28 unq 3 iso 0 dist 5.63315 7.40415 7.00226 7.62989 12.3695 12.0524 5.70238 6.33375 10.0581 8.14155 numMergedOcc 0
15 mol 28 unq 3 iso 1 dist 5.63315 7.40415 7.00226 5.70238 6.33375 10.0581 7.62989 12.3695 12.0524 8.14155 numMergedOcc 0
16 mol 28 unq 4 iso 0 dist 9.8465 7.40415 5.93722 8.75468 10.8134 10.4406 7.62989 11.956 12.0524 4.35316 numMergedOcc 0
17 mol 28 unq 4 iso 1 dist 9.8465 7.40415 5.93722 7.62989 11.956 12.0524 8.75468 10.8134 10.4406 4.35316 numMergedOcc 0
18 mol 28 unq 5 iso 0 dist 9.8465 7.40415 5.93722 8.75468 10.8134 10.4406 5.70238 8.99305 10.0581 10.5327 numMergedOcc 0
19 mol 28 unq 5 iso 1 dist 9.8465 7.40415 5.93722 5.70238 8.99305 10.0581 8.75468 10.8134 10.4406 10.5327 numMergedOcc 0
20 mol 28 unq 5 iso 0 dist 9.8465 7.40415 5.93722 7.62989 11.956 12.0524 5.70238 8.99305 10.0581 8.14155 numMergedOcc 0
21 mol 28 unq 5 iso 1 dist 9.8465 7.40415 5.93722 5.70238 8.99305 10.0581 7.62989 11.956 12.0524 8.14155 numMergedOcc 0
22 mol 34 unq 0 iso 0 dist 8.63361 6.15801 5.89577 9.31883 14.9872 9.92713 9.475 14.6661 10.6518 3.56021 numMergedOcc 0
23 mol 34 unq 0 iso 1 dist 8.63361 6.15801 5.89577 9.475 14.6661 10.6518 9.31883 14.9872 9.92713 3.56021 numMergedOcc 0
24 mol 34 unq 1 iso 0 dist 8.63361 6.15801 5.89577 9.31883 14.9872 9.92713 8.34011 10.357 5.94977 5.8452 numMergedOcc 0
25 mol 34 unq 1 iso 1 dist 8.63361 6.15801 5.89577 8.34011 10.357 5.94977 9.31883 14.9872 9.92713 5.8452 numMergedOcc 0
26 mol 34 unq 2 iso 0 dist 8.63361 6.15801 5.89577 9.31883 14.9872 9.92713 6.29842 4.465 6.35031 14.6218 numMergedOcc 0
27 mol 34 unq 2 iso 1 dist 8.63361 6.15801 5.89577 6.29842 4.465 6.35031 9.31883 14.9872 9.92713 14.6218 numMergedOcc 0
28 mol 34 unq 1 iso 0 dist 8.63361 6.15801 5.89577 9.475 14.6661 10.6518 8.34011 10.357 5.94977 5.86087 numMergedOcc 0
29 mol 34 unq 1 iso 1 dist 8.63361 6.15801 5.89577 8.34011 10.357 5.94977 9.475 14.6661 10.6518 5.86087 numMergedOcc 0
30 mol 34 unq 2 iso 0 dist 8.63361 6.15801 5.89577 9.475 14.6661 10.6518 6.29842 4.465 6.35031 14.7594 numMergedOcc 0
31 mol 34 unq 2 iso 1 dist 8.63361 6.15801 5.89577 6.29842 4.465 6.35031 9.475 14.6661 10.6518 14.7594 numMergedOcc 0
32 mol 34 unq 2 iso 0 dist 8.63361 6.15801 5.89577 8.34011 10.357 5.94977 6.29842 4.465 6.35031 11.4891 numMergedOcc 0
33 mol 34 unq 2 iso 1 dist 8.63361 6.15801 5.89577 6.29842 4.465 6.35031 8.34011 10.357 5.94977 11.4891 numMergedOcc 0
34 mol 34 unq 3 iso 0 dist 8.63361 9.63403 6.62645 9.31883 14.9872 15.7295 9.475 14.6661 16.8534 3.56021 numMergedOcc 0
35 mol 34 unq 3 iso 1 dist 8.63361 9.63403 6.62645 9.475 14.6661 16.8534 9.31883 14.9872 15.7295 3.56021 numMergedOcc 0
36 mol 34 unq 4 iso 0 dist 8.63361 9.63403 6.62645 9.31883 14.9872 15.7295 8.34011 10.357 12.3865 5.8452 numMergedOcc 0
37 mol 34 unq 4 iso 1 dist 8.63361 9.63403 6.62645 8.34011 10.357 12.3865 9.31883 14.9872 15.7295 5.8452 numMergedOcc 0
38 mol 34 unq 5 iso 0 dist 8.63361 9.63403 6.62645 9.31883 14.9872 15.7295 6.29842 4.465 5.50427 14.6218 numMergedOcc 0
39 mol 34 unq 5 iso 1 dist 8.63361 9.63403 6.62645 6.29842 4.465 5.50427 9.31883 14.9872 15.7295 14.6218 numMergedOcc 0
40 mol 34 unq 4 iso 0 dist 8.63361 9.63403 6.62645 9.475 14.6661 16.8534 8.34011 10.357 12.3865 5.86087 numMergedOcc 0
41 mol 34 unq 4 iso 1 dist 8.63361 9.63403 6.62645 8.34011 10.357 12.3865 9.475 14.6661 16.8534 5.86087 numMergedOcc 0
42 mol 34 unq 5 iso 0 dist 8.63361 9.63403 6.62645 9.475 14.6661 16.8534 6.29842 4.465 5.50427 14.7594 numMergedOcc 0
43 mol 34 unq 5 iso 1 dist 8.63361 9.63403 6.62645 6.29842 4.465 5.50427 9.475 14.6661 16.8534 14.7594 numMergedOcc 0
44 mol 34 unq 5 iso 0 dist 8.63361 9.63403 6.62645 8.34011 10.357 12.3865 6.29842 4.465 5.50427 11.4891 numMergedOcc 0
45 mol 34 unq 5 iso 1 dist 8.63361 9.63403 6.62645 6.29842 4.465 5.50427 8.34011 10.357 12.3865 11.4891 numMergedOcc 0
46 mol 34 unq 6 iso 0 dist 8.63361 8.07314 6.27366 9.31883 14.9872 16.4972 9.475 14.6661 15.5365 3.56021 numMergedOcc 0
47 mol 34 unq 6 iso 1 dist 8.63361 8.07314 6.27366 9.475 14.6661 15.5365 9.31883 14.9872 16.4972 3.56021 numMergedOcc 0
48 mol 34 unq 7 iso 0 dist 8.63361 8.07314 6.27366 9.31883 14.9872 16.4972 8.34011 10.357 13.3825 5.8452 numMergedOcc 0
49 mol 34 unq 7 iso 1 dist 8.63361 8.07314 6.27366 8.34011 10.357 13.3825 9.31883 14.9872 16.4972 5.8452 numMergedOcc 0
50 mol 34 unq 8 iso 0 dist 8.63361 8.07314 6.27366 9.31883 14.9872 16.4972 6.29842 4.465 5.12822 14.6218 numMergedOcc 0
51 mol 34 unq 8 iso 1 dist 8.63361 8.07314 6.27366 6.29842 4.465 5.12822 9.31883 14.9872 16.4972 14.6218 numMergedOcc 0
52 mol 34 unq 7 iso 0 dist 8.63361 8.07314 6.27366 9.475 14.6661 15.5365 8.34011 10.357 13.3825 5.86087 numMergedOcc 0
53 mol 34 unq 7 iso 1 dist 8.63361 8.07314 6.27366 8.34011 10.357 13.3825 9.475 14.6661 15.5365 5.86087 numMergedOcc 0
54 mol 34 unq 8 iso 0 dist 8.63361 8.07314 6.27366 9.475 14.6661 15.5365 6.29842 4.465 5.12822 14.7594 numMergedOcc 0
55 mol 34 unq 8 iso 1 dist 8.63361 8.07314 6.27366 6.29842 4.465 5.12822 9.475 14.6661 15.5365 14.7594 numMergedOcc 0
56 mol 34 unq 8 iso 0 dist 8.63361 8.07314 6.27366 8.34011 10.357 13.3825 6.29842 4.465 5.12822 11.4891 numMergedOcc 0
57 mol 34 unq 8 iso 1 dist 8.63361 8.07314 6.27366 6.29842 4.465 5.12822 8.34011 10.357 13.3825 11.4891 numMergedOcc 0
58 mol 73 unq 0 iso 0 dist 8.58543 7.62738 15.4757 8.59337 12.2331 12.1293 7.66942 4.53496 15.0139 8.86418 numMergedOcc 0
59 mol 73 unq 0 iso 1 dist 8.58543 7.62738 15.4757 7.66942 4.53496 15.0139 8.59337 12.2331 12.1293 8.86418 numMergedOcc 0
60 mol 143 unq 0 iso 0 dist 5.73236 6.95372 5.99865 8.56866 5.29609 6.36052 5.66207 7.87644 4.5497 10.0717 numMergedOcc 0
61 mol 143 unq 0 iso 1 dist 5.73236 6.95372 5.99865 5.66207 7.87644 4.5497 8.56866 5.29609 6.36052 10.0717 numMergedOcc 0
62 mol 147 unq 0 iso 0 dist 9.23528 7.25644 15.9875 7.19893 9.20965 13.5462 6.37938 4.60996 13.2259 5.61172 numMergedOcc 0
63 mol 147 unq 0 iso 1 dist 9.23528 7.25644 15.9875 6.37938 4.60996 13.2259 7.19893 9.20965 13.5462 5.61172 numMergedOcc 0
64 mol 152 unq 0 iso 0 dist 8.60521 5.06613 7.72754 5.42715 4.78989 5.83776 9.70575 9.43672 11.2086 6.01609 numMergedOcc 0
65 mol 152 unq 0 iso 1 dist 8.60521 5.06613 7.72754 9.70575 9.43672 11.2086 5.42715 4.78989 5.83776 6.01609 numMergedOcc 0
66 mol 194 unq 0 iso 0 dist 5.52678 6.37788 5.92931 5.13892 7.82899 3.7326 5.78717 10.0237 7.29209 3.78714 numMergedOcc 0
67 mol 194 unq 0 iso 1 dist 5.52678 6.37788 5.92931 5.78717 10.0237 7.29209 5.13892 7.82899 3.7326 3.78714 numMergedOcc 0
68 mol 218 unq 0 iso 0 dist 9.06334 9.32945 7.21841 6.62738 3.98561 7.3057 7.13254 5.11748 10.5867 5.51725 numMergedOcc 0
69 mol 218 unq 0 iso 1 dist 9.06334 9.32945 7.21841 7.13254 5.11748 10.5867 6.62738 3.98561 7.3057 5.51725 numMergedOcc 0
70 mol 218 unq 1 iso 0 dist 8.93185 8.3087 9.99277 8.98941 9.11917 8.98584 6.45381 10.6889 3.90135 6.94905 numMergedOcc 0
71 mol 218 unq 1 iso 1 dist 8.93185 8.3087 9.99277 6.45381 10.6889 3.90135 8.98941 9.11917 8.98584 6.94905 numMergedOcc 0
72 mol 237 unq 0 iso 0 dist 7.63812 6.07878 11.0622 8.96803 13.4452 4.50383 7.95072 8.49326 11.9967 16.0493 numMergedOcc 0
73 mol 237 unq 0 iso 1 dist 7.63812 6.07878 11.0622 7.95072 8.49326 11.9967 8.96803 13.4452 4.50383 16.0493 numMergedOcc 0
74 mol 237 unq 1 iso 0 dist 7.63812 7.80422 9.12884 8.96803 13.4452 9.41259 7.95072 8.49326 9.68512 16.0493 numMergedOcc 0
75 mol 237 unq 1 iso 1 dist 7.63812 7.80422 9.12884 7.95072 8.49326 9.68512 8.96803 13.4452 9.41259 16.0493 numMergedOcc 0
76 mol 237 unq 2 iso 0 dist 7.63812 5.06628 6.26206 8.96803 13.4452 12.5736 7.95072 8.49326 3.68966 16.0493 numMergedOcc 0
77 mol 237 unq 2 iso 1 dist 7.63812 5.06628 6.26206 7.95072 8.49326 3.68966 8.96803 13.4452 12.5736 16.0493 numMergedOcc 0
78 mol 237 unq 3 iso 0 dist 8.51129 6.07878 10.1757 8.96803 14.1628 4.50383 7.95072 5.41814 11.9967 16.0493 numMergedOcc 0
79 mol 237 unq 3 iso 1 dist 8.51129 6.07878 10.1757 7.95072 5.41814 11.9967 8.96803 14.1628 4.50383 16.0493 numMergedOcc 0
80 mol 237 unq 4 iso 0 dist 8.51129 7.80422 5.77883 8.96803 14.1628 9.41259 7.95072 5.41814 9.68512 16.0493 numMergedOcc 0
81 mol 237 unq 4 iso 1 dist 8.51129 7.80422 5.77883 7.95072 5.41814 9.68512 8.96803 14.1628 9.41259 16.0493 numMergedOcc 0
82 mol 237 unq 5 iso 0 dist 8.51129 5.06628 3.97854 8.96803 14.1628 12.5736 7.95072 5.41814 3.68966 16.0493 numMergedOcc 0
83 mol 237 unq 5 iso 1 dist 8.51129 5.06628 3.97854 7.95072 5.41814 3.68966 8.96803 14.1628 12.5736 16.0493 numMergedOcc 0
