0 mol 5 unq 0 iso 0 dist 9.45559 9.59917 7.74636 8.41594 7.64769 5.31713 11.0627 3.50411 10.433 8.68577 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.45559 9.59917 7.74636 8.41594 7.64769 5.31713 7.4332 4.84696 10.8912 9.70883 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.45559 9.59917 7.74636 12.663 8.31759 7.84244 11.0627 3.50411 10.433 8.13672 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.4332 8.94762 8.34817 8.41594 9.70883 13.2371 9.45559 4.84696 12.4698 7.64769 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 8.94762 8.34817 8.41594 9.70883 13.2371 11.0627 5.30421 11.4791 8.68577 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.26877 12.0497 7.78689 5.39197 8.22812 9.26377 5.43913 5.62671 12.509 8.65524 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.26877 12.0497 7.78689 9.53255 4.22002 4.88527 5.43913 5.62671 12.509 8.96151 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.26877 12.0497 7.78689 7.75132 5.77855 4.76279 5.43913 5.62671 12.509 9.02535 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 8.26877 12.0497 7.78689 12.4977 6.5241 9.94951 15.7674 8.66712 13.5889 5.54472 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 8.26877 12.0497 7.78689 12.4977 6.5241 9.94951 16.3703 9.07711 14.6829 8.62369 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 7.99434 5.76698 7.78689 12.2756 8.22812 9.26377 11.9764 5.62671 12.509 8.65524 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 7.99434 5.76698 7.78689 8.12843 4.22002 4.88527 11.9764 5.62671 12.509 8.96151 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 7.99434 5.76698 7.78689 8.16676 5.77855 4.76279 11.9764 5.62671 12.509 9.02535 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 7.99434 5.76698 7.78689 12.7252 6.5241 9.94951 14.5028 8.66712 13.5889 5.54472 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 7.99434 5.76698 7.78689 12.7252 6.5241 9.94951 14.0354 9.07711 14.6829 8.62369 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 7.49794 11.3706 7.70645 11.8742 6.36817 9.7018 15.2873 8.61401 13.068 5.37439 numMergedOcc 0
16 mol 48 unq 11 iso 0 dist 7.49794 11.3706 7.70645 11.8742 6.36817 9.7018 16.0126 9.16142 14.2441 8.3714 numMergedOcc 0
17 mol 48 unq 12 iso 0 dist 8.10222 5.75684 7.70645 12.6437 6.36817 9.7018 14.2863 8.61401 13.068 5.37439 numMergedOcc 0
18 mol 48 unq 13 iso 0 dist 8.10222 5.75684 7.70645 12.6437 6.36817 9.7018 13.9526 9.16142 14.2441 8.3714 numMergedOcc 0
19 mol 78 unq 0 iso 0 dist 6.11101 7.35151 9.38837 7.38398 8.61143 4.315 14.6801 11.9667 11.6695 8.79979 numMergedOcc 0
20 mol 78 unq 1 iso 0 dist 6.11101 4.76634 9.80913 7.38398 8.61143 9.00868 14.6801 11.9667 16.4844 8.79979 numMergedOcc 0
21 mol 79 unq 0 iso 0 dist 4.2253 5.21981 4.74254 8.65653 6.20144 7.19532 10.9812 7.13643 9.73588 4.808 numMergedOcc 0
22 mol 83 unq 0 iso 0 dist 7.69755 4.93836 5.35861 6.83349 6.96722 3.65203 11.7964 5.72008 8.61641 7.61085 numMergedOcc 0
23 mol 83 unq 1 iso 0 dist 9.64197 8.82563 5.35861 8.6522 6.96722 3.65203 11.9669 5.72008 8.61641 7.61085 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 8.66427 12.4236 5.37869 13.8217 7.04244 3.65186 10.9038 2.58673 4.29937 6.67137 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 8.66427 12.4236 5.37869 9.54731 9.63449 12.2971 10.9038 2.58673 4.29937 9.78707 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 8.66427 9.61831 4.05415 13.8217 7.04244 7.00044 10.9038 2.58673 3.65628 6.67137 numMergedOcc 0
27 mol 85 unq 3 iso 0 dist 8.66427 9.61831 4.05415 9.54731 9.63449 8.64367 10.9038 2.58673 3.65628 9.78707 numMergedOcc 0
28 mol 85 unq 4 iso 0 dist 8.66427 11.3963 9.97944 13.8217 7.04244 16.1804 10.9038 2.58673 9.77774 6.67137 numMergedOcc 0
29 mol 85 unq 5 iso 0 dist 8.66427 11.3963 9.97944 9.54731 9.63449 3.21259 10.9038 2.58673 9.77774 9.78707 numMergedOcc 0
30 mol 85 unq 6 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 8.49887 2.58673 5.37869 7.04244 numMergedOcc 0
31 mol 85 unq 7 iso 0 dist 7.51319 8.08787 4.29937 17.0873 9.78707 12.2971 8.49887 2.58673 5.37869 9.63449 numMergedOcc 0
32 mol 85 unq 8 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 8.49887 2.58673 4.05415 7.04244 numMergedOcc 0
33 mol 85 unq 9 iso 0 dist 7.51319 10.4844 3.65628 17.0873 9.78707 8.64367 8.49887 2.58673 4.05415 9.63449 numMergedOcc 0
34 mol 85 unq 10 iso 0 dist 7.51319 16.4231 9.77774 6.90443 6.67137 16.1804 8.49887 2.58673 9.97944 7.04244 numMergedOcc 0
35 mol 85 unq 11 iso 0 dist 7.51319 16.4231 9.77774 17.0873 9.78707 3.21259 8.49887 2.58673 9.97944 9.63449 numMergedOcc 0
36 mol 85 unq 12 iso 0 dist 8.49887 8.08787 5.37869 6.90443 7.04244 3.65186 7.51319 2.58673 4.29937 6.67137 numMergedOcc 0
37 mol 85 unq 13 iso 0 dist 8.49887 8.08787 5.37869 17.0873 9.63449 12.2971 7.51319 2.58673 4.29937 9.78707 numMergedOcc 0
38 mol 85 unq 14 iso 0 dist 8.49887 10.4844 4.05415 6.90443 7.04244 7.00044 7.51319 2.58673 3.65628 6.67137 numMergedOcc 0
39 mol 85 unq 15 iso 0 dist 8.49887 10.4844 4.05415 17.0873 9.63449 8.64367 7.51319 2.58673 3.65628 9.78707 numMergedOcc 0
40 mol 85 unq 16 iso 0 dist 8.49887 16.4231 9.97944 6.90443 7.04244 16.1804 7.51319 2.58673 9.77774 6.67137 numMergedOcc 0
41 mol 85 unq 17 iso 0 dist 8.49887 16.4231 9.97944 17.0873 9.63449 3.21259 7.51319 2.58673 9.77774 9.78707 numMergedOcc 0
42 mol 85 unq 18 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 10.329 2.58673 5.37869 7.04244 numMergedOcc 0
43 mol 85 unq 19 iso 0 dist 9.43839 11.053 4.29937 4.43737 9.78707 12.2971 10.329 2.58673 5.37869 9.63449 numMergedOcc 0
44 mol 85 unq 20 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 10.329 2.58673 4.05415 7.04244 numMergedOcc 0
45 mol 85 unq 21 iso 0 dist 9.43839 7.97629 3.65628 4.43737 9.78707 8.64367 10.329 2.58673 4.05415 9.63449 numMergedOcc 0
46 mol 85 unq 22 iso 0 dist 9.43839 5.46713 9.77774 14.6513 6.67137 16.1804 10.329 2.58673 9.97944 7.04244 numMergedOcc 0
47 mol 85 unq 23 iso 0 dist 9.43839 5.46713 9.77774 4.43737 9.78707 3.21259 10.329 2.58673 9.97944 9.63449 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 4.79423 9.5548 8.92135 5.86994 7.25595 14.4913 6.97766 6.13455 14.8336 4.87942 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 7.56217 5.39223 4.45769 11.7008 5.10542 9.23342 9.81055 3.78714 5.89939 4.68722 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 7.56217 7.15294 8.99961 11.7008 5.10542 11.7699 9.81055 3.78714 8.18853 4.68722 numMergedOcc 0
51 mol 194 unq 2 iso 0 dist 9.81055 5.39223 5.89939 11.7008 4.68722 9.23342 7.56217 3.78714 4.45769 5.10542 numMergedOcc 0
52 mol 194 unq 3 iso 0 dist 9.81055 7.15294 8.18853 11.7008 4.68722 11.7699 7.56217 3.78714 8.99961 5.10542 numMergedOcc 0
53 mol 204 unq 0 iso 0 dist 8.77524 5.9943 7.33774 10.6524 8.32259 4.7839 8.59764 8.59834 6.39122 8.54737 numMergedOcc 0
54 mol 204 unq 1 iso 0 dist 8.77524 5.9943 7.33774 9.88337 9.93489 4.05102 8.59764 8.59834 6.39122 7.64057 numMergedOcc 0
55 mol 204 unq 2 iso 0 dist 9.26192 9.9686 7.98864 13.8736 9.93489 5.80328 10.6368 2.95898 8.23717 8.32259 numMergedOcc 0
56 mol 204 unq 3 iso 0 dist 9.26192 9.9686 7.98864 6.40044 7.64057 3.68217 10.6368 2.95898 8.23717 8.54737 numMergedOcc 0
57 mol 214 unq 0 iso 0 dist 9.53899 10.0389 7.66702 6.49466 7.42759 3.64285 10.3757 2.86233 7.70062 7.96338 numMergedOcc 0
58 mol 266 unq 0 iso 0 dist 6.48382 7.90149 8.20376 7.52317 8.25286 3.14784 14.5631 11.938 7.72861 7.8598 numMergedOcc 0
59 mol 266 unq 1 iso 0 dist 6.48382 7.90149 8.20376 9.52953 9.9965 5.95721 14.5631 11.938 7.72861 7.80711 numMergedOcc 0
60 mol 277 unq 0 iso 0 dist 4.1545 6.65084 5.13533 5.11865 7.98956 10.5214 4.25172 3.41319 8.0969 5.86185 numMergedOcc 0
61 mol 277 unq 1 iso 0 dist 4.1545 6.65084 5.13533 5.11865 7.98956 10.5214 11.2914 13.9697 14.9526 6.79748 numMergedOcc 0
62 mol 285 unq 0 iso 0 dist 4.95596 5.62841 4.27826 4.57431 5.88958 3.14843 6.3508 4.87372 5.82074 7.78121 numMergedOcc 0
63 mol 285 unq 1 iso 0 dist 6.3508 5.62841 5.82074 4.57431 7.78121 3.14843 4.95596 4.87372 4.27826 5.88958 numMergedOcc 0
