0 mol 5 unq 0 iso 0 dist 9.45559 8.41594 7.64769 7.4332 4.84696 9.70883 8.94762 12.4698 13.2371 8.34817 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.4332 8.41594 9.70883 9.45559 4.84696 7.64769 9.59917 10.8912 5.31713 7.74636 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.43913 5.39197 8.65524 8.26877 5.62671 8.22812 12.0497 12.509 9.26377 7.78689 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 5.43913 9.53255 8.96151 8.26877 5.62671 4.22002 12.0497 12.509 4.88527 7.78689 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 5.43913 7.75132 9.02535 8.26877 5.62671 5.77855 12.0497 12.509 4.76279 7.78689 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.75543 4.08459 4.808 10.1173 7.13643 6.20144 10.1358 9.73588 7.19532 4.74254 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 7.69755 6.83349 6.96722 11.7964 5.72008 7.61085 4.93836 5.35861 3.65203 8.61641 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 9.64197 8.6522 6.96722 11.9669 5.72008 7.61085 8.82563 5.35861 3.65203 8.61641 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.66427 13.8217 7.04244 10.9038 2.58673 6.67137 12.4236 5.37869 3.65186 4.29937 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.66427 13.8217 7.04244 10.9038 2.58673 6.67137 9.61831 4.05415 7.00044 3.65628 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.66427 13.8217 7.04244 10.9038 2.58673 6.67137 11.3963 9.97944 16.1804 9.77774 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.66427 9.54731 9.63449 10.9038 2.58673 9.78707 12.4236 5.37869 12.2971 4.29937 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 8.66427 9.54731 9.63449 10.9038 2.58673 9.78707 9.61831 4.05415 8.64367 3.65628 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 8.66427 9.54731 9.63449 10.9038 2.58673 9.78707 11.3963 9.97944 3.21259 9.77774 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 7.51319 6.90443 6.67137 8.49887 2.58673 7.04244 8.08787 4.29937 3.65186 5.37869 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 7.51319 6.90443 6.67137 8.49887 2.58673 7.04244 10.4844 3.65628 7.00044 4.05415 numMergedOcc 0
16 mol 85 unq 8 iso 0 dist 7.51319 6.90443 6.67137 8.49887 2.58673 7.04244 16.4231 9.77774 16.1804 9.97944 numMergedOcc 0
17 mol 85 unq 9 iso 0 dist 7.51319 17.0873 9.78707 8.49887 2.58673 9.63449 8.08787 4.29937 12.2971 5.37869 numMergedOcc 0
18 mol 85 unq 10 iso 0 dist 7.51319 17.0873 9.78707 8.49887 2.58673 9.63449 10.4844 3.65628 8.64367 4.05415 numMergedOcc 0
19 mol 85 unq 11 iso 0 dist 7.51319 17.0873 9.78707 8.49887 2.58673 9.63449 16.4231 9.77774 3.21259 9.97944 numMergedOcc 0
20 mol 85 unq 12 iso 0 dist 8.49887 6.90443 7.04244 7.51319 2.58673 6.67137 8.08787 5.37869 3.65186 4.29937 numMergedOcc 0
21 mol 85 unq 13 iso 0 dist 8.49887 6.90443 7.04244 7.51319 2.58673 6.67137 10.4844 4.05415 7.00044 3.65628 numMergedOcc 0
22 mol 85 unq 14 iso 0 dist 8.49887 6.90443 7.04244 7.51319 2.58673 6.67137 16.4231 9.97944 16.1804 9.77774 numMergedOcc 0
23 mol 85 unq 15 iso 0 dist 8.49887 17.0873 9.63449 7.51319 2.58673 9.78707 8.08787 5.37869 12.2971 4.29937 numMergedOcc 0
24 mol 85 unq 16 iso 0 dist 8.49887 17.0873 9.63449 7.51319 2.58673 9.78707 10.4844 4.05415 8.64367 3.65628 numMergedOcc 0
25 mol 85 unq 17 iso 0 dist 8.49887 17.0873 9.63449 7.51319 2.58673 9.78707 16.4231 9.97944 3.21259 9.77774 numMergedOcc 0
26 mol 85 unq 18 iso 0 dist 9.43839 14.6513 6.67137 10.329 2.58673 7.04244 11.053 4.29937 3.65186 5.37869 numMergedOcc 0
27 mol 85 unq 19 iso 0 dist 9.43839 14.6513 6.67137 10.329 2.58673 7.04244 7.97629 3.65628 7.00044 4.05415 numMergedOcc 0
28 mol 85 unq 20 iso 0 dist 9.43839 14.6513 6.67137 10.329 2.58673 7.04244 5.46713 9.77774 16.1804 9.97944 numMergedOcc 0
29 mol 85 unq 21 iso 0 dist 9.43839 4.43737 9.78707 10.329 2.58673 9.63449 11.053 4.29937 12.2971 5.37869 numMergedOcc 0
30 mol 85 unq 22 iso 0 dist 9.43839 4.43737 9.78707 10.329 2.58673 9.63449 7.97629 3.65628 8.64367 4.05415 numMergedOcc 0
31 mol 85 unq 23 iso 0 dist 9.43839 4.43737 9.78707 10.329 2.58673 9.63449 5.46713 9.77774 3.21259 9.97944 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 6.97766 5.86994 4.87942 4.79423 6.13455 7.25595 9.5548 14.8336 14.4913 8.92135 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 7.56217 11.7008 5.10542 9.81055 3.78714 4.68722 5.39223 4.45769 9.23342 5.89939 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 7.56217 11.7008 5.10542 9.81055 3.78714 4.68722 7.15294 8.99961 11.7699 8.18853 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 9.81055 11.7008 4.68722 7.56217 3.78714 5.10542 5.39223 5.89939 9.23342 4.45769 numMergedOcc 0
36 mol 194 unq 3 iso 0 dist 9.81055 11.7008 4.68722 7.56217 3.78714 5.10542 7.15294 8.18853 11.7699 8.99961 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 8.77524 10.6524 8.32259 8.59764 8.59834 8.54737 5.9943 7.33774 4.7839 6.39122 numMergedOcc 0
38 mol 204 unq 1 iso 0 dist 8.77524 9.88337 9.93489 8.59764 8.59834 7.64057 5.9943 7.33774 4.05102 6.39122 numMergedOcc 0
39 mol 204 unq 2 iso 0 dist 9.26192 13.8736 9.93489 10.6368 2.95898 8.32259 9.9686 7.98864 5.80328 8.23717 numMergedOcc 0
40 mol 204 unq 3 iso 0 dist 9.26192 6.40044 7.64057 10.6368 2.95898 8.54737 9.9686 7.98864 3.68217 8.23717 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 9.53899 6.49466 7.42759 10.3757 2.86233 7.96338 14.5271 11.1063 8.88633 9.59928 numMergedOcc 0
42 mol 214 unq 1 iso 0 dist 9.53899 6.49466 7.42759 10.3757 2.86233 7.96338 10.0389 7.66702 3.64285 7.70062 numMergedOcc 0
43 mol 266 unq 0 iso 0 dist 6.48382 7.52317 8.25286 14.5631 11.938 7.8598 7.90149 8.20376 3.14784 7.72861 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 6.48382 9.52953 9.9965 14.5631 11.938 7.80711 7.90149 8.20376 5.95721 7.72861 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 4.25172 5.11865 5.86185 4.1545 3.41319 7.98956 6.65084 8.0969 10.5214 5.13533 numMergedOcc 0
46 mol 285 unq 0 iso 0 dist 4.95596 4.57431 5.88958 6.3508 4.87372 7.78121 5.62841 4.27826 3.14843 5.82074 numMergedOcc 0
47 mol 285 unq 1 iso 0 dist 6.3508 4.57431 7.78121 4.95596 4.87372 5.88958 5.62841 5.82074 3.14843 4.27826 numMergedOcc 0
