0 mol 5 unq 0 iso 0 dist 8.87945 6.98653 7.64769 11.532 4.73885 8.31759 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.87945 10.4477 8.68577 11.532 4.73885 8.13672 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.87945 9.22937 9.70883 18.1664 16.0393 9.65565 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.74636 5.31713 7.64769 10.433 3.50411 8.68577 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.74636 5.31713 7.64769 10.8912 4.84696 9.70883 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 7.74636 7.84244 8.31759 10.433 3.50411 8.13672 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 8.34817 13.2371 9.70883 12.4698 4.84696 7.64769 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 8.34817 13.2371 9.70883 11.4791 5.30421 8.68577 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.78689 9.26377 8.22812 12.509 5.62671 8.65524 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 7.78689 4.88527 4.22002 12.509 5.62671 8.96151 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 7.78689 4.76279 5.77855 12.509 5.62671 9.02535 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 7.78689 9.94951 6.5241 13.5889 8.66712 5.54472 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 7.78689 9.94951 6.5241 14.6829 9.07711 8.62369 numMergedOcc 0
13 mol 48 unq 5 iso 0 dist 7.7927 11.246 6.36817 12.9788 6.29252 8.14245 numMergedOcc 0
14 mol 48 unq 6 iso 0 dist 7.7927 11.246 6.36817 16.6394 9.94041 8.0812 numMergedOcc 0
15 mol 48 unq 7 iso 0 dist 7.7927 11.246 6.36817 12.6487 5.553 4.17933 numMergedOcc 0
16 mol 48 unq 8 iso 0 dist 7.7927 11.246 6.36817 15.2851 8.14415 5.54893 numMergedOcc 0
17 mol 48 unq 9 iso 0 dist 6.17378 9.92075 6.36817 12.289 6.29252 8.14245 numMergedOcc 0
18 mol 48 unq 10 iso 0 dist 6.17378 9.92075 6.36817 13.892 9.94041 8.0812 numMergedOcc 0
19 mol 48 unq 11 iso 0 dist 6.17378 9.92075 6.36817 11.151 5.553 4.17933 numMergedOcc 0
20 mol 48 unq 12 iso 0 dist 6.17378 9.92075 6.36817 13.3372 8.14415 5.54893 numMergedOcc 0
21 mol 48 unq 13 iso 0 dist 7.70645 9.7018 6.36817 13.068 8.61401 5.37439 numMergedOcc 0
22 mol 48 unq 14 iso 0 dist 7.70645 9.7018 6.36817 14.2441 9.16142 8.3714 numMergedOcc 0
23 mol 76 unq 0 iso 0 dist 5.45099 3.35924 7.66068 8.44765 6.98219 9.5043 numMergedOcc 0
24 mol 76 unq 1 iso 0 dist 5.45099 3.35924 7.66068 9.06643 8.74837 8.34132 numMergedOcc 0
25 mol 76 unq 2 iso 0 dist 8.44765 3.35924 9.5043 5.45099 6.98219 7.66068 numMergedOcc 0
26 mol 76 unq 3 iso 0 dist 8.44765 3.35924 9.5043 9.06643 4.82479 8.34132 numMergedOcc 0
27 mol 76 unq 4 iso 0 dist 9.06643 3.35924 8.34132 5.45099 8.74837 7.66068 numMergedOcc 0
28 mol 76 unq 5 iso 0 dist 9.06643 3.35924 8.34132 8.44765 4.82479 9.5043 numMergedOcc 0
29 mol 78 unq 0 iso 0 dist 9.38837 4.315 8.61143 11.6695 11.9667 8.79979 numMergedOcc 0
30 mol 78 unq 1 iso 0 dist 9.80913 9.00868 8.61143 16.4844 11.9667 8.79979 numMergedOcc 0
31 mol 79 unq 0 iso 0 dist 7.92114 4.69555 4.15789 8.8955 5.30569 4.808 numMergedOcc 0
32 mol 79 unq 1 iso 0 dist 8.18375 6.49084 4.15789 10.6844 5.30569 4.808 numMergedOcc 0
33 mol 79 unq 2 iso 0 dist 4.74254 7.19532 6.20144 9.73588 7.13643 4.808 numMergedOcc 0
34 mol 83 unq 0 iso 0 dist 5.35861 3.65203 6.96722 8.61641 5.72008 7.61085 numMergedOcc 0
35 mol 83 unq 1 iso 0 dist 8.61641 3.65203 7.61085 5.35861 5.72008 6.96722 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 4.29937 3.65186 6.67137 5.37869 2.58673 7.04244 numMergedOcc 0
37 mol 85 unq 1 iso 0 dist 4.29937 12.2971 9.78707 5.37869 2.58673 9.63449 numMergedOcc 0
38 mol 85 unq 2 iso 0 dist 5.37869 3.65186 7.04244 4.29937 2.58673 6.67137 numMergedOcc 0
39 mol 85 unq 3 iso 0 dist 5.37869 12.2971 9.63449 4.29937 2.58673 9.78707 numMergedOcc 0
40 mol 85 unq 4 iso 0 dist 3.65628 7.00044 6.67137 4.05415 2.58673 7.04244 numMergedOcc 0
41 mol 85 unq 5 iso 0 dist 3.65628 8.64367 9.78707 4.05415 2.58673 9.63449 numMergedOcc 0
42 mol 85 unq 6 iso 0 dist 4.05415 7.00044 7.04244 3.65628 2.58673 6.67137 numMergedOcc 0
43 mol 85 unq 7 iso 0 dist 4.05415 8.64367 9.63449 3.65628 2.58673 9.78707 numMergedOcc 0
44 mol 85 unq 8 iso 0 dist 9.77774 16.1804 6.67137 9.97944 2.58673 7.04244 numMergedOcc 0
45 mol 85 unq 9 iso 0 dist 9.77774 3.21259 9.78707 9.97944 2.58673 9.63449 numMergedOcc 0
46 mol 85 unq 10 iso 0 dist 9.97944 16.1804 7.04244 9.77774 2.58673 6.67137 numMergedOcc 0
47 mol 85 unq 11 iso 0 dist 9.97944 3.21259 9.63449 9.77774 2.58673 9.78707 numMergedOcc 0
48 mol 107 unq 0 iso 0 dist 7.91251 5.88785 8.88124 9.09262 13.5807 8.19484 numMergedOcc 0
49 mol 107 unq 1 iso 0 dist 9.09262 5.88785 8.19484 7.91251 13.5807 8.88124 numMergedOcc 0
50 mol 113 unq 0 iso 0 dist 8.67025 9.59189 5.31126 11.1678 2.75715 7.16619 numMergedOcc 0
51 mol 113 unq 1 iso 0 dist 8.67025 10.1118 4.49669 11.1678 2.75715 5.88896 numMergedOcc 0
52 mol 113 unq 2 iso 0 dist 9.60127 13.8379 7.16619 9.92079 2.75715 5.31126 numMergedOcc 0
53 mol 113 unq 3 iso 0 dist 9.60127 8.39067 5.88896 9.92079 2.75715 4.49669 numMergedOcc 0
54 mol 115 unq 0 iso 0 dist 9.45013 7.30495 6.21029 9.81886 3.19822 5.86379 numMergedOcc 0
55 mol 115 unq 1 iso 0 dist 9.45013 9.57858 8.16325 9.81886 3.19822 8.64686 numMergedOcc 0
56 mol 120 unq 0 iso 0 dist 9.98772 4.5296 6.98791 12.1141 5.26524 7.84207 numMergedOcc 0
57 mol 123 unq 0 iso 0 dist 4.14492 10.3919 8.03692 10.3616 8.77423 8.78115 numMergedOcc 0
58 mol 147 unq 0 iso 0 dist 7.7464 5.19008 3.82583 10.735 4.68125 8.25768 numMergedOcc 0
59 mol 147 unq 1 iso 0 dist 7.7464 5.27556 5.19116 10.735 4.68125 8.71702 numMergedOcc 0
60 mol 147 unq 2 iso 0 dist 5.12272 3.7729 3.82583 8.7121 4.68125 8.25768 numMergedOcc 0
61 mol 147 unq 3 iso 0 dist 5.12272 6.34165 5.19116 8.7121 4.68125 8.71702 numMergedOcc 0
62 mol 147 unq 4 iso 0 dist 8.7121 3.7729 8.25768 5.12272 4.68125 3.82583 numMergedOcc 0
63 mol 147 unq 5 iso 0 dist 8.7121 6.34165 8.71702 5.12272 4.68125 5.19116 numMergedOcc 0
64 mol 169 unq 0 iso 0 dist 7.65903 3.18152 5.10589 5.97653 5.23644 4.63336 numMergedOcc 0
65 mol 169 unq 1 iso 0 dist 7.65903 3.18152 5.10589 7.75523 7.52063 6.10715 numMergedOcc 0
66 mol 169 unq 2 iso 0 dist 5.97653 3.18152 4.63336 7.65903 5.23644 5.10589 numMergedOcc 0
67 mol 169 unq 3 iso 0 dist 5.97653 3.18152 4.63336 7.75523 3.74306 6.10715 numMergedOcc 0
68 mol 169 unq 4 iso 0 dist 7.75523 3.18152 6.10715 7.65903 7.52063 5.10589 numMergedOcc 0
69 mol 169 unq 5 iso 0 dist 7.75523 3.18152 6.10715 5.97653 3.74306 4.63336 numMergedOcc 0
70 mol 186 unq 0 iso 0 dist 8.17928 3.60793 7.25595 13.2028 12.8007 9.94825 numMergedOcc 0
71 mol 186 unq 1 iso 0 dist 8.92135 14.4913 7.25595 14.8336 6.13455 4.87942 numMergedOcc 0
72 mol 194 unq 0 iso 0 dist 4.45769 9.23342 5.10542 5.89939 3.78714 4.68722 numMergedOcc 0
73 mol 194 unq 1 iso 0 dist 5.89939 9.23342 4.68722 4.45769 3.78714 5.10542 numMergedOcc 0
74 mol 194 unq 2 iso 0 dist 8.99961 11.7699 5.10542 8.18853 3.78714 4.68722 numMergedOcc 0
75 mol 194 unq 3 iso 0 dist 8.18853 11.7699 4.68722 8.99961 3.78714 5.10542 numMergedOcc 0
76 mol 204 unq 0 iso 0 dist 7.33774 4.7839 8.32259 6.39122 8.59834 8.54737 numMergedOcc 0
77 mol 204 unq 1 iso 0 dist 7.33774 4.05102 9.93489 6.39122 8.59834 7.64057 numMergedOcc 0
78 mol 204 unq 2 iso 0 dist 6.39122 4.7839 8.54737 7.33774 8.59834 8.32259 numMergedOcc 0
79 mol 204 unq 3 iso 0 dist 6.39122 4.05102 7.64057 7.33774 8.59834 9.93489 numMergedOcc 0
80 mol 204 unq 4 iso 0 dist 8.23717 5.80328 8.32259 7.98864 2.95898 9.93489 numMergedOcc 0
81 mol 204 unq 5 iso 0 dist 8.23717 3.68217 8.54737 7.98864 2.95898 7.64057 numMergedOcc 0
82 mol 204 unq 6 iso 0 dist 7.98864 5.80328 9.93489 8.23717 2.95898 8.32259 numMergedOcc 0
83 mol 204 unq 7 iso 0 dist 7.98864 3.68217 7.64057 8.23717 2.95898 8.54737 numMergedOcc 0
84 mol 214 unq 0 iso 0 dist 8.49349 4.84709 8.66082 6.50654 10.5332 7.96338 numMergedOcc 0
85 mol 214 unq 1 iso 0 dist 6.50654 4.84709 7.96338 8.49349 10.5332 8.66082 numMergedOcc 0
86 mol 214 unq 2 iso 0 dist 9.59928 8.88633 7.96338 11.1063 2.86233 7.42759 numMergedOcc 0
87 mol 214 unq 3 iso 0 dist 7.70062 3.64285 7.96338 7.66702 2.86233 7.42759 numMergedOcc 0
88 mol 214 unq 4 iso 0 dist 7.66702 3.64285 7.42759 7.70062 2.86233 7.96338 numMergedOcc 0
89 mol 266 unq 0 iso 0 dist 7.72861 3.14784 7.8598 8.20376 11.938 8.25286 numMergedOcc 0
90 mol 266 unq 1 iso 0 dist 7.72861 5.95721 7.80711 8.20376 11.938 9.9965 numMergedOcc 0
91 mol 266 unq 2 iso 0 dist 8.20376 3.14784 8.25286 7.72861 11.938 7.8598 numMergedOcc 0
92 mol 266 unq 3 iso 0 dist 8.20376 5.95721 9.9965 7.72861 11.938 7.80711 numMergedOcc 0
93 mol 277 unq 0 iso 0 dist 5.13533 10.5214 7.98956 8.0969 3.41319 5.86185 numMergedOcc 0
94 mol 277 unq 1 iso 0 dist 5.13533 10.5214 7.98956 14.9526 13.9697 6.79748 numMergedOcc 0
95 mol 285 unq 0 iso 0 dist 4.27826 3.14843 5.88958 5.82074 4.87372 7.78121 numMergedOcc 0
96 mol 285 unq 1 iso 0 dist 5.82074 3.14843 7.78121 4.27826 4.87372 5.88958 numMergedOcc 0
