0 mol 5 unq 0 iso 0 dist 8.87945 6.98653 7.64769 11.532 4.73885 8.31759 10.4477 8.68577 3.50411 8.13672 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.87945 10.4477 8.68577 11.532 4.73885 8.13672 6.98653 7.64769 3.50411 8.31759 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.74636 5.31713 7.64769 10.433 3.50411 8.68577 7.84244 8.31759 4.73885 8.13672 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.74636 5.31713 7.64769 10.8912 4.84696 9.70883 19.1296 14.0944 16.0393 9.65565 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.74636 7.84244 8.31759 10.433 3.50411 8.13672 5.31713 7.64769 4.73885 8.68577 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 8.34817 13.2371 9.70883 12.4698 4.84696 7.64769 15.5604 11.5358 4.73885 8.31759 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 8.34817 13.2371 9.70883 11.4791 5.30421 8.68577 15.5604 11.5358 4.73885 8.13672 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 7.78689 9.26377 8.22812 12.509 5.62671 8.65524 4.88527 4.22002 6.87266 8.96151 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.78689 9.26377 8.22812 12.509 5.62671 8.65524 4.76279 5.77855 4.62605 9.02535 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 7.78689 4.88527 4.22002 12.509 5.62671 8.96151 9.26377 8.22812 6.87266 8.65524 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 7.78689 4.88527 4.22002 12.509 5.62671 8.96151 4.76279 5.77855 3.23184 9.02535 numMergedOcc 0
11 mol 48 unq 4 iso 0 dist 7.78689 4.76279 5.77855 12.509 5.62671 9.02535 9.26377 8.22812 4.62605 8.65524 numMergedOcc 0
12 mol 48 unq 5 iso 0 dist 7.78689 4.76279 5.77855 12.509 5.62671 9.02535 4.88527 4.22002 3.23184 8.96151 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 9.38837 4.315 8.61143 11.6695 11.9667 8.79979 4.76861 11.407 3.46822 8.42738 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 9.80913 9.00868 8.61143 16.4844 11.9667 8.79979 12.1208 11.407 3.46822 8.42738 numMergedOcc 0
15 mol 79 unq 0 iso 0 dist 7.92114 4.69555 4.15789 8.8955 5.30569 4.808 10.3197 9.56766 7.13643 6.20144 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 8.18375 6.49084 4.15789 10.6844 5.30569 4.808 10.0358 9.56766 7.13643 6.20144 numMergedOcc 0
17 mol 79 unq 2 iso 0 dist 4.74254 7.19532 6.20144 9.73588 7.13643 4.808 10.2908 9.56766 5.30569 4.15789 numMergedOcc 0
18 mol 83 unq 0 iso 0 dist 8.61641 3.65203 7.61085 5.35861 5.72008 6.96722 3.62753 11.9491 6.91034 7.50925 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 4.29937 3.65186 6.67137 5.37869 2.58673 7.04244 11.7094 10.4386 11.3346 7.91193 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 4.29937 3.65186 6.67137 5.37869 2.58673 7.04244 10.0372 9.52926 10.1082 7.07839 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 4.29937 3.65186 6.67137 5.37869 2.58673 7.04244 11.8779 10.9264 10.1757 9.09711 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 4.29937 3.65186 6.67137 5.37869 2.58673 7.04244 12.2971 9.78707 15.509 9.63449 numMergedOcc 0
23 mol 85 unq 4 iso 0 dist 4.29937 12.2971 9.78707 5.37869 2.58673 9.63449 3.65186 6.67137 15.509 7.04244 numMergedOcc 0
24 mol 85 unq 5 iso 0 dist 4.29937 12.2971 9.78707 5.37869 2.58673 9.63449 11.8779 10.9264 17.7038 9.09711 numMergedOcc 0
25 mol 85 unq 6 iso 0 dist 4.29937 12.2971 9.78707 5.37869 2.58673 9.63449 11.7094 10.4386 14.2704 7.91193 numMergedOcc 0
26 mol 85 unq 7 iso 0 dist 4.29937 12.2971 9.78707 5.37869 2.58673 9.63449 10.0372 9.52926 12.8332 7.07839 numMergedOcc 0
27 mol 85 unq 8 iso 0 dist 5.37869 3.65186 7.04244 4.29937 2.58673 6.67137 12.2971 9.63449 15.509 9.78707 numMergedOcc 0
28 mol 85 unq 9 iso 0 dist 5.37869 12.2971 9.63449 4.29937 2.58673 9.78707 3.65186 7.04244 15.509 6.67137 numMergedOcc 0
29 mol 85 unq 10 iso 0 dist 3.65628 7.00044 6.67137 4.05415 2.58673 7.04244 10.7591 10.4386 11.3346 7.91193 numMergedOcc 0
30 mol 85 unq 11 iso 0 dist 3.65628 7.00044 6.67137 4.05415 2.58673 7.04244 8.78995 9.52926 10.1082 7.07839 numMergedOcc 0
31 mol 85 unq 12 iso 0 dist 3.65628 7.00044 6.67137 4.05415 2.58673 7.04244 12.4835 10.9264 10.1757 9.09711 numMergedOcc 0
32 mol 85 unq 13 iso 0 dist 3.65628 7.00044 6.67137 4.05415 2.58673 7.04244 8.64367 9.78707 15.509 9.63449 numMergedOcc 0
33 mol 85 unq 14 iso 0 dist 3.65628 8.64367 9.78707 4.05415 2.58673 9.63449 7.00044 6.67137 15.509 7.04244 numMergedOcc 0
34 mol 85 unq 15 iso 0 dist 3.65628 8.64367 9.78707 4.05415 2.58673 9.63449 12.4835 10.9264 17.7038 9.09711 numMergedOcc 0
35 mol 85 unq 16 iso 0 dist 3.65628 8.64367 9.78707 4.05415 2.58673 9.63449 10.7591 10.4386 14.2704 7.91193 numMergedOcc 0
36 mol 85 unq 17 iso 0 dist 3.65628 8.64367 9.78707 4.05415 2.58673 9.63449 8.78995 9.52926 12.8332 7.07839 numMergedOcc 0
37 mol 85 unq 18 iso 0 dist 4.05415 7.00044 7.04244 3.65628 2.58673 6.67137 8.64367 9.63449 15.509 9.78707 numMergedOcc 0
38 mol 85 unq 19 iso 0 dist 4.05415 8.64367 9.63449 3.65628 2.58673 9.78707 7.00044 7.04244 15.509 6.67137 numMergedOcc 0
39 mol 85 unq 20 iso 0 dist 9.77774 16.1804 6.67137 9.97944 2.58673 7.04244 15.1209 10.4386 11.3346 7.91193 numMergedOcc 0
40 mol 85 unq 21 iso 0 dist 9.77774 16.1804 6.67137 9.97944 2.58673 7.04244 14.2664 9.52926 10.1082 7.07839 numMergedOcc 0
41 mol 85 unq 22 iso 0 dist 9.77774 16.1804 6.67137 9.97944 2.58673 7.04244 17.9023 10.9264 10.1757 9.09711 numMergedOcc 0
42 mol 85 unq 23 iso 0 dist 9.77774 16.1804 6.67137 9.97944 2.58673 7.04244 3.21259 9.78707 15.509 9.63449 numMergedOcc 0
43 mol 85 unq 24 iso 0 dist 9.77774 3.21259 9.78707 9.97944 2.58673 9.63449 16.1804 6.67137 15.509 7.04244 numMergedOcc 0
44 mol 85 unq 25 iso 0 dist 9.77774 3.21259 9.78707 9.97944 2.58673 9.63449 17.9023 10.9264 17.7038 9.09711 numMergedOcc 0
45 mol 85 unq 26 iso 0 dist 9.77774 3.21259 9.78707 9.97944 2.58673 9.63449 15.1209 10.4386 14.2704 7.91193 numMergedOcc 0
46 mol 85 unq 27 iso 0 dist 9.77774 3.21259 9.78707 9.97944 2.58673 9.63449 14.2664 9.52926 12.8332 7.07839 numMergedOcc 0
47 mol 85 unq 28 iso 0 dist 9.97944 16.1804 7.04244 9.77774 2.58673 6.67137 3.21259 9.63449 15.509 9.78707 numMergedOcc 0
48 mol 85 unq 29 iso 0 dist 9.97944 3.21259 9.63449 9.77774 2.58673 9.78707 16.1804 7.04244 15.509 6.67137 numMergedOcc 0
49 mol 113 unq 0 iso 0 dist 8.67025 9.59189 5.31126 11.1678 2.75715 7.16619 10.1118 4.49669 5.7147 5.88896 numMergedOcc 0
50 mol 113 unq 1 iso 0 dist 8.67025 10.1118 4.49669 11.1678 2.75715 5.88896 9.59189 5.31126 5.7147 7.16619 numMergedOcc 0
51 mol 113 unq 2 iso 0 dist 9.60127 13.8379 7.16619 9.92079 2.75715 5.31126 8.39067 5.88896 5.7147 4.49669 numMergedOcc 0
52 mol 113 unq 3 iso 0 dist 9.60127 13.8379 7.16619 9.92079 2.75715 5.31126 7.44033 7.84239 8.09465 6.00221 numMergedOcc 0
53 mol 113 unq 4 iso 0 dist 9.60127 8.39067 5.88896 9.92079 2.75715 4.49669 13.8379 7.16619 5.7147 5.31126 numMergedOcc 0
54 mol 113 unq 5 iso 0 dist 9.60127 8.39067 5.88896 9.92079 2.75715 4.49669 7.44033 7.84239 3.74304 6.00221 numMergedOcc 0
55 mol 115 unq 0 iso 0 dist 9.45013 7.30495 6.21029 9.81886 3.19822 5.86379 9.57858 8.16325 3.66281 8.64686 numMergedOcc 0
56 mol 115 unq 1 iso 0 dist 9.45013 9.57858 8.16325 9.81886 3.19822 8.64686 7.30495 6.21029 3.66281 5.86379 numMergedOcc 0
57 mol 120 unq 0 iso 0 dist 9.98772 4.5296 6.98791 12.1141 5.26524 7.84207 12.5572 11.3644 8.68088 8.56947 numMergedOcc 0
58 mol 147 unq 0 iso 0 dist 7.7464 5.19008 3.82583 10.735 4.68125 8.25768 5.27556 5.19116 3.00464 8.71702 numMergedOcc 0
59 mol 147 unq 1 iso 0 dist 7.7464 5.27556 5.19116 10.735 4.68125 8.71702 5.19008 3.82583 3.00464 8.25768 numMergedOcc 0
60 mol 147 unq 2 iso 0 dist 5.12272 3.7729 3.82583 8.7121 4.68125 8.25768 6.34165 5.19116 3.00464 8.71702 numMergedOcc 0
61 mol 147 unq 3 iso 0 dist 5.12272 6.34165 5.19116 8.7121 4.68125 8.71702 3.7729 3.82583 3.00464 8.25768 numMergedOcc 0
62 mol 147 unq 4 iso 0 dist 8.7121 3.7729 8.25768 5.12272 4.68125 3.82583 6.34165 8.71702 3.00464 5.19116 numMergedOcc 0
63 mol 147 unq 5 iso 0 dist 8.7121 6.34165 8.71702 5.12272 4.68125 5.19116 3.7729 8.25768 3.00464 3.82583 numMergedOcc 0
64 mol 194 unq 0 iso 0 dist 4.45769 9.23342 5.10542 5.89939 3.78714 4.68722 10.3782 7.52366 5.61057 5.18325 numMergedOcc 0
65 mol 194 unq 1 iso 0 dist 8.99961 11.7699 5.10542 8.18853 3.78714 4.68722 13.0759 7.52366 5.61057 5.18325 numMergedOcc 0
66 mol 204 unq 0 iso 0 dist 7.33774 4.7839 8.32259 6.39122 8.59834 8.54737 4.05102 9.93489 2.95898 7.64057 numMergedOcc 0
67 mol 204 unq 1 iso 0 dist 7.33774 4.05102 9.93489 6.39122 8.59834 7.64057 4.7839 8.32259 2.95898 8.54737 numMergedOcc 0
68 mol 204 unq 2 iso 0 dist 6.39122 4.7839 8.54737 7.33774 8.59834 8.32259 4.05102 7.64057 2.95898 9.93489 numMergedOcc 0
69 mol 204 unq 3 iso 0 dist 6.39122 4.05102 7.64057 7.33774 8.59834 9.93489 4.7839 8.54737 2.95898 8.32259 numMergedOcc 0
70 mol 204 unq 4 iso 0 dist 8.23717 5.80328 8.32259 7.98864 2.95898 9.93489 3.68217 8.54737 8.59834 7.64057 numMergedOcc 0
71 mol 204 unq 5 iso 0 dist 8.23717 3.68217 8.54737 7.98864 2.95898 7.64057 5.80328 8.32259 8.59834 9.93489 numMergedOcc 0
72 mol 204 unq 6 iso 0 dist 7.98864 5.80328 9.93489 8.23717 2.95898 8.32259 3.68217 7.64057 8.59834 8.54737 numMergedOcc 0
73 mol 204 unq 7 iso 0 dist 7.98864 3.68217 7.64057 8.23717 2.95898 8.54737 5.80328 9.93489 8.59834 8.32259 numMergedOcc 0
74 mol 214 unq 0 iso 0 dist 8.49349 4.84709 8.66082 6.50654 10.5332 7.96338 4.16963 10.7359 2.86233 7.42759 numMergedOcc 0
75 mol 214 unq 1 iso 0 dist 7.66702 3.64285 7.42759 7.70062 2.86233 7.96338 7.87816 10.7359 10.5332 8.66082 numMergedOcc 0
76 mol 266 unq 0 iso 0 dist 7.72861 3.14784 7.8598 8.20376 11.938 8.25286 3.68488 10.9313 5.76129 6.96692 numMergedOcc 0
77 mol 266 unq 1 iso 0 dist 7.72861 3.14784 7.8598 8.20376 11.938 8.25286 5.95721 7.80711 3.00605 9.9965 numMergedOcc 0
78 mol 266 unq 2 iso 0 dist 7.72861 5.95721 7.80711 8.20376 11.938 9.9965 3.68488 10.9313 8.75066 6.96692 numMergedOcc 0
79 mol 266 unq 3 iso 0 dist 7.72861 5.95721 7.80711 8.20376 11.938 9.9965 3.14784 7.8598 3.00605 8.25286 numMergedOcc 0
80 mol 266 unq 4 iso 0 dist 8.20376 3.14784 8.25286 7.72861 11.938 7.8598 5.95721 9.9965 3.00605 7.80711 numMergedOcc 0
81 mol 266 unq 5 iso 0 dist 8.20376 5.95721 9.9965 7.72861 11.938 7.80711 3.14784 8.25286 3.00605 7.8598 numMergedOcc 0
82 mol 277 unq 0 iso 0 dist 5.13533 10.5214 7.98956 14.9526 13.9697 6.79748 14.236 11.2004 3.75238 6.53598 numMergedOcc 0
