0 mol 5 unq 0 iso 0 dist 6.14476 13.9409 9.70883 4.97032 9.65565 16.0393 10.9683 4.84696 7.64769 14.0944 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.14476 13.9409 9.70883 4.97032 9.65565 16.0393 10.7636 5.30421 8.68577 12.7584 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.15542 3.63758 8.65524 6.88863 8.22812 5.62671 8.89047 6.87266 8.96151 4.22002 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.15542 3.63758 8.65524 6.88863 8.22812 5.62671 8.89003 4.62605 9.02535 5.77855 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.15542 6.88863 8.22812 3.63758 8.65524 5.62671 8.89047 6.87266 4.22002 8.96151 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.15542 6.88863 8.22812 3.63758 8.65524 5.62671 8.89003 4.62605 5.77855 9.02535 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.15542 6.88863 8.22812 3.63758 8.65524 5.62671 13.1859 10.9047 8.10774 13.4006 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.15542 6.88863 8.22812 3.63758 8.65524 5.62671 9.21413 10.1674 6.5241 10.2447 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 8.89047 3.63758 8.96151 6.88863 4.22002 5.62671 7.15542 6.87266 8.65524 8.22812 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 8.89047 3.63758 8.96151 6.88863 4.22002 5.62671 8.89003 3.23184 9.02535 5.77855 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 8.89047 6.88863 4.22002 3.63758 8.96151 5.62671 7.15542 6.87266 8.22812 8.65524 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 8.89047 6.88863 4.22002 3.63758 8.96151 5.62671 8.89003 3.23184 5.77855 9.02535 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 8.89047 6.88863 4.22002 3.63758 8.96151 5.62671 13.1859 4.78728 8.10774 13.4006 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 8.89047 6.88863 4.22002 3.63758 8.96151 5.62671 9.21413 5.61785 6.5241 10.2447 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 8.89003 3.63758 9.02535 6.88863 5.77855 5.62671 7.15542 4.62605 8.65524 8.22812 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 8.89003 3.63758 9.02535 6.88863 5.77855 5.62671 8.89047 3.23184 8.96151 4.22002 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 8.89003 6.88863 5.77855 3.63758 9.02535 5.62671 7.15542 4.62605 8.22812 8.65524 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 8.89003 6.88863 5.77855 3.63758 9.02535 5.62671 8.89047 3.23184 4.22002 8.96151 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 8.89003 6.88863 5.77855 3.63758 9.02535 5.62671 13.1859 7.18912 8.10774 13.4006 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 8.89003 6.88863 5.77855 3.63758 9.02535 5.62671 9.21413 8.43495 6.5241 10.2447 numMergedOcc 0
20 mol 78 unq 0 iso 0 dist 7.69072 3.68023 8.79979 5.34874 8.42738 3.46822 10.1937 11.9667 8.61143 11.407 numMergedOcc 0
21 mol 78 unq 1 iso 0 dist 8.97888 9.6123 8.61143 3.46486 8.79979 11.9667 15.1757 8.09729 9.07629 15.642 numMergedOcc 0
22 mol 78 unq 2 iso 0 dist 8.97888 3.46486 8.79979 9.6123 8.61143 11.9667 9.85512 3.46822 8.42738 11.407 numMergedOcc 0
23 mol 79 unq 0 iso 0 dist 4.37025 3.83059 4.808 8.95695 6.20144 7.13643 5.25027 5.30569 4.15789 9.56766 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 7.69926 6.35602 6.67137 13.5979 9.78707 15.509 5.85237 2.58673 7.04244 9.63449 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 7.69926 13.5979 9.78707 6.35602 6.67137 15.509 5.85237 2.58673 9.63449 7.04244 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 5.85237 6.35602 7.04244 3.88489 7.07839 10.1082 7.69926 2.58673 6.67137 9.52926 numMergedOcc 0
27 mol 85 unq 3 iso 0 dist 5.85237 6.35602 7.04244 7.33192 9.09711 10.1757 7.69926 2.58673 6.67137 10.9264 numMergedOcc 0
28 mol 85 unq 4 iso 0 dist 5.85237 6.35602 7.04244 5.78841 7.91193 11.3346 7.69926 2.58673 6.67137 10.4386 numMergedOcc 0
29 mol 85 unq 5 iso 0 dist 5.85237 6.35602 7.04244 13.5979 9.63449 15.509 7.69926 2.58673 6.67137 9.78707 numMergedOcc 0
30 mol 85 unq 6 iso 0 dist 5.85237 13.5979 9.63449 3.88489 7.07839 12.8332 7.69926 2.58673 9.78707 9.52926 numMergedOcc 0
31 mol 85 unq 7 iso 0 dist 5.85237 13.5979 9.63449 7.33192 9.09711 17.7038 7.69926 2.58673 9.78707 10.9264 numMergedOcc 0
32 mol 85 unq 8 iso 0 dist 5.85237 13.5979 9.63449 6.35602 7.04244 15.509 7.69926 2.58673 9.78707 6.67137 numMergedOcc 0
33 mol 85 unq 9 iso 0 dist 5.85237 13.5979 9.63449 5.78841 7.91193 14.2704 7.69926 2.58673 9.78707 10.4386 numMergedOcc 0
34 mol 85 unq 10 iso 0 dist 9.11768 10.5854 7.04244 9.22202 7.07839 10.1082 9.7173 2.58673 6.67137 9.52926 numMergedOcc 0
35 mol 85 unq 11 iso 0 dist 9.11768 10.5854 7.04244 12.2858 7.91193 11.3346 9.7173 2.58673 6.67137 10.4386 numMergedOcc 0
36 mol 85 unq 12 iso 0 dist 9.11768 10.5854 7.04244 10.0606 9.63449 15.509 9.7173 2.58673 6.67137 9.78707 numMergedOcc 0
37 mol 85 unq 13 iso 0 dist 9.11768 10.5854 7.04244 15.5226 9.09711 10.1757 9.7173 2.58673 6.67137 10.9264 numMergedOcc 0
38 mol 85 unq 14 iso 0 dist 9.11768 10.0606 9.63449 9.22202 7.07839 12.8332 9.7173 2.58673 9.78707 9.52926 numMergedOcc 0
39 mol 85 unq 15 iso 0 dist 9.11768 10.0606 9.63449 10.5854 7.04244 15.509 9.7173 2.58673 9.78707 6.67137 numMergedOcc 0
40 mol 85 unq 16 iso 0 dist 9.11768 10.0606 9.63449 12.2858 7.91193 14.2704 9.7173 2.58673 9.78707 10.4386 numMergedOcc 0
41 mol 85 unq 17 iso 0 dist 9.11768 10.0606 9.63449 15.5226 9.09711 17.7038 9.7173 2.58673 9.78707 10.9264 numMergedOcc 0
42 mol 111 unq 0 iso 0 dist 9.06601 6.34994 4.91212 8.26306 9.74162 6.13173 5.98809 8.72808 9.34782 12.5922 numMergedOcc 0
43 mol 113 unq 0 iso 0 dist 8.99912 6.54263 4.49669 3.92558 5.88896 2.75715 9.6716 5.7147 5.31126 7.16619 numMergedOcc 0
44 mol 113 unq 1 iso 0 dist 8.99912 6.54263 4.49669 3.92558 5.88896 2.75715 11.4818 3.74304 6.00221 7.84239 numMergedOcc 0
45 mol 113 unq 2 iso 0 dist 8.99912 3.92558 5.88896 6.54263 4.49669 2.75715 9.6716 5.7147 7.16619 5.31126 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 4.76974 3.98154 5.86379 6.61688 6.21029 3.19822 8.0336 3.66281 8.64686 8.16325 numMergedOcc 0
47 mol 115 unq 1 iso 0 dist 4.76974 6.61688 6.21029 3.98154 5.86379 3.19822 8.0336 3.66281 8.16325 8.64686 numMergedOcc 0
48 mol 115 unq 2 iso 0 dist 8.0336 3.98154 8.64686 6.61688 8.16325 3.19822 4.76974 3.66281 5.86379 6.21029 numMergedOcc 0
49 mol 115 unq 3 iso 0 dist 8.0336 6.61688 8.16325 3.98154 8.64686 3.19822 4.76974 3.66281 6.21029 5.86379 numMergedOcc 0
50 mol 115 unq 4 iso 0 dist 5.93278 4.18693 5.86379 7.41059 8.64686 3.66281 6.19918 3.19822 6.21029 8.16325 numMergedOcc 0
51 mol 115 unq 5 iso 0 dist 5.93278 7.41059 8.64686 4.18693 5.86379 3.66281 6.19918 3.19822 8.16325 6.21029 numMergedOcc 0
52 mol 115 unq 6 iso 0 dist 6.19918 4.18693 6.21029 7.41059 8.16325 3.66281 5.93278 3.19822 5.86379 8.64686 numMergedOcc 0
53 mol 115 unq 7 iso 0 dist 6.19918 7.41059 8.16325 4.18693 6.21029 3.66281 5.93278 3.19822 8.64686 5.86379 numMergedOcc 0
54 mol 120 unq 0 iso 0 dist 7.53694 3.824 7.84207 4.96885 8.56947 8.68088 8.38358 5.26524 6.98791 11.3644 numMergedOcc 0
55 mol 120 unq 1 iso 0 dist 8.38358 3.824 6.98791 9.4846 9.31385 5.7181 7.53694 5.26524 7.84207 11.8836 numMergedOcc 0
56 mol 120 unq 2 iso 0 dist 6.42623 5.61274 7.84207 3.35803 6.98791 5.26524 8.95899 8.68088 8.56947 11.3644 numMergedOcc 0
57 mol 120 unq 3 iso 0 dist 6.42623 3.35803 6.98791 5.61274 7.84207 5.26524 10.2878 5.7181 9.31385 11.8836 numMergedOcc 0
58 mol 123 unq 0 iso 0 dist 8.111 12.5368 8.03692 12.2105 5.56127 10.2185 12.3048 8.77423 8.78115 13.5017 numMergedOcc 0
59 mol 123 unq 1 iso 0 dist 8.111 12.5368 8.03692 6.21159 5.36214 13.0033 12.3048 8.77423 8.78115 12.1434 numMergedOcc 0
60 mol 147 unq 0 iso 0 dist 8.39897 7.06219 3.82583 4.19634 5.19116 3.00464 10.8483 4.68125 8.25768 8.71702 numMergedOcc 0
61 mol 147 unq 1 iso 0 dist 8.39897 4.19634 5.19116 7.06219 3.82583 3.00464 10.8483 4.68125 8.71702 8.25768 numMergedOcc 0
62 mol 147 unq 2 iso 0 dist 9.03078 6.04074 3.82583 6.24579 5.19116 3.00464 13.4973 4.68125 8.25768 8.71702 numMergedOcc 0
63 mol 147 unq 3 iso 0 dist 9.03078 6.24579 5.19116 6.04074 3.82583 3.00464 13.4973 4.68125 8.71702 8.25768 numMergedOcc 0
64 mol 186 unq 0 iso 0 dist 5.90765 12.1883 7.25595 6.89146 9.94825 12.8007 12.038 6.13455 4.87942 14.922 numMergedOcc 0
65 mol 194 unq 0 iso 0 dist 9.38984 11.6641 4.68722 7.3365 5.18325 5.61057 13.001 3.78714 5.10542 7.52366 numMergedOcc 0
66 mol 194 unq 1 iso 0 dist 9.91118 10.0534 4.68722 6.3514 5.18325 5.61057 13.1712 3.78714 5.10542 7.52366 numMergedOcc 0
67 mol 266 unq 0 iso 0 dist 9.29666 14.5358 7.80711 18.7228 9.9965 11.938 12.0003 3.00605 7.8598 8.25286 numMergedOcc 0
68 mol 266 unq 1 iso 0 dist 9.29666 18.7228 9.9965 14.5358 7.80711 11.938 17.5084 8.75066 6.96692 10.9313 numMergedOcc 0
69 mol 266 unq 2 iso 0 dist 9.29666 18.7228 9.9965 14.5358 7.80711 11.938 12.0003 3.00605 8.25286 7.8598 numMergedOcc 0
70 mol 277 unq 0 iso 0 dist 9.54359 10.469 6.79748 13.7583 7.98956 13.9697 11.0997 3.75238 6.53598 11.2004 numMergedOcc 0
71 mol 277 unq 1 iso 0 dist 9.54359 10.469 6.79748 13.6433 5.86185 12.1514 11.0997 3.75238 6.53598 8.41856 numMergedOcc 0
72 mol 277 unq 2 iso 0 dist 5.69112 5.09884 6.79748 11.8607 7.98956 13.9697 7.2091 3.75238 6.53598 11.2004 numMergedOcc 0
73 mol 277 unq 3 iso 0 dist 5.69112 5.09884 6.79748 10.9137 5.86185 12.1514 7.2091 3.75238 6.53598 8.41856 numMergedOcc 0
74 mol 281 unq 0 iso 0 dist 5.50053 5.19196 6.69267 12.8596 7.90368 12.7734 7.33334 3.77058 6.56886 9.46544 numMergedOcc 0
75 mol 281 unq 1 iso 0 dist 7.33334 5.19196 6.56886 11.0049 5.33372 10.2487 5.50053 3.77058 6.69267 8.70938 numMergedOcc 0
