0 mol 5 unq 0 iso 0 dist 6.14476 13.9409 9.70883 10.9683 4.84696 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.14476 13.9409 9.70883 10.7636 5.30421 8.68577 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.15542 3.63758 8.65524 8.89047 6.87266 8.96151 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.15542 3.63758 8.65524 8.89003 4.62605 9.02535 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.15542 6.88863 8.22812 8.89047 6.87266 4.22002 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.15542 6.88863 8.22812 8.89003 4.62605 5.77855 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.15542 6.88863 8.22812 13.1859 10.9047 8.10774 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.15542 6.88863 8.22812 9.21413 10.1674 6.5241 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 8.89047 3.63758 8.96151 7.15542 6.87266 8.65524 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 8.89047 3.63758 8.96151 8.89003 3.23184 9.02535 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 8.89047 6.88863 4.22002 7.15542 6.87266 8.22812 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 8.89047 6.88863 4.22002 8.89003 3.23184 5.77855 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 8.89047 6.88863 4.22002 13.1859 4.78728 8.10774 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 8.89047 6.88863 4.22002 9.21413 5.61785 6.5241 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 8.89003 3.63758 9.02535 7.15542 4.62605 8.65524 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 8.89003 3.63758 9.02535 8.89047 3.23184 8.96151 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 8.89003 6.88863 5.77855 7.15542 4.62605 8.22812 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 8.89003 6.88863 5.77855 8.89047 3.23184 4.22002 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 8.89003 6.88863 5.77855 13.1859 7.18912 8.10774 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 8.89003 6.88863 5.77855 9.21413 8.43495 6.5241 numMergedOcc 0
20 mol 78 unq 0 iso 0 dist 7.69072 3.68023 8.79979 10.1937 11.9667 8.61143 numMergedOcc 0
21 mol 78 unq 1 iso 0 dist 9.85512 3.46486 8.42738 8.97888 3.46822 8.79979 numMergedOcc 0
22 mol 78 unq 2 iso 0 dist 8.97888 9.6123 8.61143 15.1757 8.09729 9.07629 numMergedOcc 0
23 mol 78 unq 3 iso 0 dist 8.97888 3.46486 8.79979 9.85512 3.46822 8.42738 numMergedOcc 0
24 mol 79 unq 0 iso 0 dist 5.25027 3.83059 4.15789 4.37025 5.30569 4.808 numMergedOcc 0
25 mol 79 unq 1 iso 0 dist 4.37025 3.83059 4.808 5.25027 5.30569 4.15789 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 7.69926 6.35602 6.67137 5.85237 2.58673 7.04244 numMergedOcc 0
27 mol 85 unq 1 iso 0 dist 7.69926 13.5979 9.78707 5.85237 2.58673 9.63449 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 5.85237 6.35602 7.04244 7.69926 2.58673 6.67137 numMergedOcc 0
29 mol 85 unq 3 iso 0 dist 5.85237 13.5979 9.63449 7.69926 2.58673 9.78707 numMergedOcc 0
30 mol 85 unq 4 iso 0 dist 9.11768 10.5854 7.04244 9.7173 2.58673 6.67137 numMergedOcc 0
31 mol 85 unq 5 iso 0 dist 9.11768 10.0606 9.63449 9.7173 2.58673 9.78707 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 8.11702 4.56372 9.29327 10.2832 10.241 9.51764 numMergedOcc 0
33 mol 111 unq 0 iso 0 dist 9.06601 6.34994 4.91212 5.98809 8.72808 9.34782 numMergedOcc 0
34 mol 111 unq 1 iso 0 dist 5.98809 6.34994 9.34782 9.06601 8.72808 4.91212 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 8.99912 6.54263 4.49669 9.6716 5.7147 5.31126 numMergedOcc 0
36 mol 113 unq 1 iso 0 dist 8.99912 6.54263 4.49669 11.4818 3.74304 6.00221 numMergedOcc 0
37 mol 113 unq 2 iso 0 dist 8.99912 3.92558 5.88896 9.6716 5.7147 7.16619 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 4.76974 3.98154 5.86379 8.0336 3.66281 8.64686 numMergedOcc 0
39 mol 115 unq 1 iso 0 dist 4.76974 6.61688 6.21029 8.0336 3.66281 8.16325 numMergedOcc 0
40 mol 115 unq 2 iso 0 dist 8.0336 3.98154 8.64686 4.76974 3.66281 5.86379 numMergedOcc 0
41 mol 115 unq 3 iso 0 dist 8.0336 6.61688 8.16325 4.76974 3.66281 6.21029 numMergedOcc 0
42 mol 115 unq 4 iso 0 dist 5.93278 4.18693 5.86379 6.19918 3.19822 6.21029 numMergedOcc 0
43 mol 115 unq 5 iso 0 dist 5.93278 7.41059 8.64686 6.19918 3.19822 8.16325 numMergedOcc 0
44 mol 115 unq 6 iso 0 dist 6.19918 4.18693 6.21029 5.93278 3.19822 5.86379 numMergedOcc 0
45 mol 115 unq 7 iso 0 dist 6.19918 7.41059 8.16325 5.93278 3.19822 8.64686 numMergedOcc 0
46 mol 120 unq 0 iso 0 dist 7.53694 3.824 7.84207 8.38358 5.26524 6.98791 numMergedOcc 0
47 mol 120 unq 1 iso 0 dist 8.38358 3.824 6.98791 7.53694 5.26524 7.84207 numMergedOcc 0
48 mol 120 unq 2 iso 0 dist 6.42623 5.61274 7.84207 8.95899 8.68088 8.56947 numMergedOcc 0
49 mol 120 unq 3 iso 0 dist 6.42623 3.35803 6.98791 10.2878 5.7181 9.31385 numMergedOcc 0
50 mol 120 unq 4 iso 0 dist 8.95899 5.61274 8.56947 6.42623 8.68088 7.84207 numMergedOcc 0
51 mol 123 unq 0 iso 0 dist 8.111 12.5368 8.03692 12.3048 8.77423 8.78115 numMergedOcc 0
52 mol 147 unq 0 iso 0 dist 8.39897 7.06219 3.82583 10.8483 4.68125 8.25768 numMergedOcc 0
53 mol 147 unq 1 iso 0 dist 8.39897 4.19634 5.19116 10.8483 4.68125 8.71702 numMergedOcc 0
54 mol 147 unq 2 iso 0 dist 9.03078 6.04074 3.82583 13.4973 4.68125 8.25768 numMergedOcc 0
55 mol 147 unq 3 iso 0 dist 9.03078 6.24579 5.19116 13.4973 4.68125 8.71702 numMergedOcc 0
56 mol 186 unq 0 iso 0 dist 5.90765 12.1883 7.25595 12.038 6.13455 4.87942 numMergedOcc 0
57 mol 194 unq 0 iso 0 dist 9.52922 12.8006 5.10542 11.7672 3.78714 4.68722 numMergedOcc 0
58 mol 194 unq 1 iso 0 dist 9.38984 11.6641 4.68722 13.001 3.78714 5.10542 numMergedOcc 0
59 mol 194 unq 2 iso 0 dist 9.91118 10.0534 4.68722 13.1712 3.78714 5.10542 numMergedOcc 0
60 mol 266 unq 0 iso 0 dist 9.29666 14.5358 7.80711 12.0003 3.00605 7.8598 numMergedOcc 0
61 mol 266 unq 1 iso 0 dist 9.29666 18.7228 9.9965 17.5084 8.75066 6.96692 numMergedOcc 0
62 mol 266 unq 2 iso 0 dist 9.29666 18.7228 9.9965 12.0003 3.00605 8.25286 numMergedOcc 0
63 mol 277 unq 0 iso 0 dist 9.54359 10.469 6.79748 11.0997 3.75238 6.53598 numMergedOcc 0
64 mol 277 unq 1 iso 0 dist 5.69112 5.09884 6.79748 7.2091 3.75238 6.53598 numMergedOcc 0
65 mol 277 unq 2 iso 0 dist 7.2091 5.09884 6.53598 5.69112 3.75238 6.79748 numMergedOcc 0
66 mol 277 unq 3 iso 0 dist 7.42932 14.2348 7.98956 10.5562 3.41319 5.86185 numMergedOcc 0
67 mol 277 unq 4 iso 0 dist 7.42932 14.2348 7.98956 18.6403 13.9697 6.79748 numMergedOcc 0
68 mol 277 unq 5 iso 0 dist 4.9764 7.75371 7.98956 6.36559 3.41319 5.86185 numMergedOcc 0
69 mol 277 unq 6 iso 0 dist 4.9764 7.75371 7.98956 11.5669 13.9697 6.79748 numMergedOcc 0
70 mol 277 unq 7 iso 0 dist 6.36559 7.75371 5.86185 4.9764 3.41319 7.98956 numMergedOcc 0
71 mol 277 unq 8 iso 0 dist 6.36559 7.75371 5.86185 11.5669 12.1514 6.79748 numMergedOcc 0
72 mol 281 unq 0 iso 0 dist 5.50053 5.19196 6.69267 7.33334 3.77058 6.56886 numMergedOcc 0
73 mol 281 unq 1 iso 0 dist 7.33334 5.19196 6.56886 5.50053 3.77058 6.69267 numMergedOcc 0
