0 mol 24 unq 0 iso 0 dist 9.38831 9.41655 15.0537 6.803 12.8421 4.10458 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.38831 6.803 12.8421 9.41655 15.0537 4.10458 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.72965 8.75468 7.39132 7.62989 5.28861 4.35316 numMergedOcc 0
3 mol 28 unq 0 iso 1 dist 9.72965 7.62989 5.28861 8.75468 7.39132 4.35316 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.72965 8.75468 7.39132 5.70238 6.94261 10.5327 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 9.72965 5.70238 6.94261 8.75468 7.39132 10.5327 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 9.72965 7.62989 5.28861 5.70238 6.94261 8.14155 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 9.72965 5.70238 6.94261 7.62989 5.28861 8.14155 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 5.63315 7.66985 5.51163 9.17482 6.37119 8.67111 numMergedOcc 0
9 mol 28 unq 2 iso 1 dist 5.63315 9.17482 6.37119 7.66985 5.51163 8.67111 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 5.63315 8.75468 13.2225 7.62989 12.3695 4.35316 numMergedOcc 0
11 mol 28 unq 3 iso 1 dist 5.63315 7.62989 12.3695 8.75468 13.2225 4.35316 numMergedOcc 0
12 mol 28 unq 4 iso 0 dist 5.63315 8.75468 13.2225 5.70238 6.33375 10.5327 numMergedOcc 0
13 mol 28 unq 4 iso 1 dist 5.63315 5.70238 6.33375 8.75468 13.2225 10.5327 numMergedOcc 0
14 mol 28 unq 4 iso 0 dist 5.63315 7.62989 12.3695 5.70238 6.33375 8.14155 numMergedOcc 0
15 mol 28 unq 4 iso 1 dist 5.63315 5.70238 6.33375 7.62989 12.3695 8.14155 numMergedOcc 0
16 mol 28 unq 5 iso 0 dist 9.8465 8.75468 10.8134 7.62989 11.956 4.35316 numMergedOcc 0
17 mol 28 unq 5 iso 1 dist 9.8465 7.62989 11.956 8.75468 10.8134 4.35316 numMergedOcc 0
18 mol 28 unq 6 iso 0 dist 9.8465 8.75468 10.8134 5.70238 8.99305 10.5327 numMergedOcc 0
19 mol 28 unq 6 iso 1 dist 9.8465 5.70238 8.99305 8.75468 10.8134 10.5327 numMergedOcc 0
20 mol 28 unq 6 iso 0 dist 9.8465 7.62989 11.956 5.70238 8.99305 8.14155 numMergedOcc 0
21 mol 28 unq 6 iso 1 dist 9.8465 5.70238 8.99305 7.62989 11.956 8.14155 numMergedOcc 0
22 mol 34 unq 0 iso 0 dist 8.63361 9.31883 14.9872 9.475 14.6661 3.56021 numMergedOcc 0
23 mol 34 unq 0 iso 1 dist 8.63361 9.475 14.6661 9.31883 14.9872 3.56021 numMergedOcc 0
24 mol 34 unq 1 iso 0 dist 8.63361 9.31883 14.9872 8.34011 10.357 5.8452 numMergedOcc 0
25 mol 34 unq 1 iso 1 dist 8.63361 8.34011 10.357 9.31883 14.9872 5.8452 numMergedOcc 0
26 mol 34 unq 2 iso 0 dist 8.63361 9.31883 14.9872 6.29842 4.465 14.6218 numMergedOcc 0
27 mol 34 unq 2 iso 1 dist 8.63361 6.29842 4.465 9.31883 14.9872 14.6218 numMergedOcc 0
28 mol 34 unq 1 iso 0 dist 8.63361 9.475 14.6661 8.34011 10.357 5.86087 numMergedOcc 0
29 mol 34 unq 1 iso 1 dist 8.63361 8.34011 10.357 9.475 14.6661 5.86087 numMergedOcc 0
30 mol 34 unq 2 iso 0 dist 8.63361 9.475 14.6661 6.29842 4.465 14.7594 numMergedOcc 0
31 mol 34 unq 2 iso 1 dist 8.63361 6.29842 4.465 9.475 14.6661 14.7594 numMergedOcc 0
32 mol 34 unq 2 iso 0 dist 8.63361 8.34011 10.357 6.29842 4.465 11.4891 numMergedOcc 0
33 mol 34 unq 2 iso 1 dist 8.63361 6.29842 4.465 8.34011 10.357 11.4891 numMergedOcc 0
34 mol 73 unq 0 iso 0 dist 8.58543 8.59337 12.2331 7.66942 4.53496 8.86418 numMergedOcc 0
35 mol 73 unq 0 iso 1 dist 8.58543 7.66942 4.53496 8.59337 12.2331 8.86418 numMergedOcc 0
36 mol 93 unq 0 iso 0 dist 7.8674 6.25522 5.99863 7.87145 6.15015 5.02964 numMergedOcc 0
37 mol 93 unq 0 iso 1 dist 7.8674 7.87145 6.15015 6.25522 5.99863 5.02964 numMergedOcc 0
38 mol 93 unq 1 iso 0 dist 7.8674 6.25522 5.99863 9.30914 10.9803 8.84051 numMergedOcc 0
39 mol 93 unq 1 iso 1 dist 7.8674 9.30914 10.9803 6.25522 5.99863 8.84051 numMergedOcc 0
40 mol 93 unq 1 iso 0 dist 7.8674 7.87145 6.15015 9.30914 10.9803 5.30633 numMergedOcc 0
41 mol 93 unq 1 iso 1 dist 7.8674 9.30914 10.9803 7.87145 6.15015 5.30633 numMergedOcc 0
42 mol 111 unq 0 iso 0 dist 8.77841 4.72339 6.86082 6.48902 4.79593 6.94371 numMergedOcc 0
43 mol 111 unq 0 iso 1 dist 8.77841 6.48902 4.79593 4.72339 6.86082 6.94371 numMergedOcc 0
44 mol 111 unq 1 iso 0 dist 8.77841 4.72339 6.86082 7.21505 10.2571 8.72808 numMergedOcc 0
45 mol 111 unq 1 iso 1 dist 8.77841 7.21505 10.2571 4.72339 6.86082 8.72808 numMergedOcc 0
46 mol 111 unq 1 iso 0 dist 8.77841 6.48902 4.79593 7.21505 10.2571 10.4972 numMergedOcc 0
47 mol 111 unq 1 iso 1 dist 8.77841 7.21505 10.2571 6.48902 4.79593 10.4972 numMergedOcc 0
48 mol 143 unq 0 iso 0 dist 5.73236 8.56866 5.29609 5.66207 7.87644 10.0717 numMergedOcc 0
49 mol 143 unq 0 iso 1 dist 5.73236 5.66207 7.87644 8.56866 5.29609 10.0717 numMergedOcc 0
50 mol 147 unq 0 iso 0 dist 9.23528 7.19893 9.20965 6.37938 4.60996 5.61172 numMergedOcc 0
51 mol 147 unq 0 iso 1 dist 9.23528 6.37938 4.60996 7.19893 9.20965 5.61172 numMergedOcc 0
52 mol 152 unq 0 iso 0 dist 8.60521 5.42715 4.78989 9.70575 9.43672 6.01609 numMergedOcc 0
53 mol 152 unq 0 iso 1 dist 8.60521 9.70575 9.43672 5.42715 4.78989 6.01609 numMergedOcc 0
54 mol 194 unq 0 iso 0 dist 5.52678 5.13892 7.82899 5.78717 10.0237 3.78714 numMergedOcc 0
55 mol 194 unq 0 iso 1 dist 5.52678 5.78717 10.0237 5.13892 7.82899 3.78714 numMergedOcc 0
56 mol 218 unq 0 iso 0 dist 9.06334 6.62738 3.98561 7.13254 5.11748 5.51725 numMergedOcc 0
57 mol 218 unq 0 iso 1 dist 9.06334 7.13254 5.11748 6.62738 3.98561 5.51725 numMergedOcc 0
58 mol 218 unq 1 iso 0 dist 8.93185 8.98941 9.11917 6.45381 10.6889 6.94905 numMergedOcc 0
59 mol 218 unq 1 iso 1 dist 8.93185 6.45381 10.6889 8.98941 9.11917 6.94905 numMergedOcc 0
60 mol 218 unq 2 iso 0 dist 8.22792 5.4621 9.11917 8.91819 10.6889 6.94905 numMergedOcc 0
61 mol 218 unq 2 iso 1 dist 8.22792 8.91819 10.6889 5.4621 9.11917 6.94905 numMergedOcc 0
62 mol 237 unq 0 iso 0 dist 7.63812 8.96803 13.4452 7.95072 8.49326 16.0493 numMergedOcc 0
63 mol 237 unq 0 iso 1 dist 7.63812 7.95072 8.49326 8.96803 13.4452 16.0493 numMergedOcc 0
64 mol 237 unq 1 iso 0 dist 8.51129 8.96803 14.1628 7.95072 5.41814 16.0493 numMergedOcc 0
65 mol 237 unq 1 iso 1 dist 8.51129 7.95072 5.41814 8.96803 14.1628 16.0493 numMergedOcc 0
66 mol 250 unq 0 iso 0 dist 9.60364 7.5999 10.18 9.50976 8.13777 8.07034 numMergedOcc 0
67 mol 250 unq 0 iso 1 dist 9.60364 9.50976 8.13777 7.5999 10.18 8.07034 numMergedOcc 0
