0 mol 58 unq 0 iso 0 dist 8.96727 8.01308 6.20884 7.17488 10.5853 5.11422 4.81926 9.22598 9.55996 9.9105 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 6.62699 4.38233 5.62585 7.04035 9.74228 10.7906 8.26541 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 6.21799 5.03251 3.43675 6.62699 4.38233 5.62585 8.24309 7.12321 9.35457 4.86198 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 6.21799 7.66093 5.75711 6.62699 4.38233 9.84528 7.04035 9.74228 12.952 8.26541 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 6.21799 7.66093 5.75711 6.62699 4.38233 9.84528 8.24309 7.12321 12.1131 4.86198 numMergedOcc 0
5 mol 72 unq 4 iso 0 dist 5.03251 6.21799 3.43675 6.62699 5.62585 4.38233 5.8486 9.56773 10.9808 8.98867 numMergedOcc 0
6 mol 72 unq 5 iso 0 dist 5.03251 7.66093 5.26077 6.62699 5.62585 9.84528 5.8486 9.56773 13.336 8.98867 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.5087 6.08682 5.30471 7.37171 10.0644 12.1501 8.07446 5.61588 7.83244 8.62079 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.61588 8.72682 9.76138 8.62079 10.0644 14.0236 8.07446 5.5087 10.2939 7.37171 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 5.61588 6.45841 3.32668 8.62079 10.0644 11.9118 8.07446 5.5087 8.62198 7.37171 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 5.61588 7.83244 5.30471 8.62079 10.0644 12.1501 8.07446 5.5087 6.08682 7.37171 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 6.08682 5.5087 5.30471 7.37171 12.1501 10.0644 8.07446 7.83244 5.61588 8.62079 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 7.83244 8.72682 5.81659 8.62079 12.1501 14.0236 8.07446 6.08682 10.2939 7.37171 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 7.83244 6.45841 8.07648 8.62079 12.1501 11.9118 8.07446 6.08682 8.62198 7.37171 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 7.83244 5.61588 5.30471 8.62079 12.1501 10.0644 8.07446 6.08682 5.5087 7.37171 numMergedOcc 0
15 mol 78 unq 0 iso 0 dist 6.85523 5.77326 8.2592 7.91148 6.99884 4.75637 7.19663 8.65848 12.35 12.2138 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 6.85523 5.77326 8.2592 6.59794 3.75261 5.62063 7.19663 8.65848 12.35 10.167 numMergedOcc 0
17 mol 78 unq 2 iso 0 dist 6.85523 5.77326 8.2592 8.34957 10.6388 3.81575 7.19663 8.65848 12.35 13.9695 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 6.59889 8.9192 3.55572 7.55934 5.12696 6.04238 7.65448 6.70693 9.27706 11.2397 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.01624 6.64173 11.196 8.29467 11.4645 5.09584 11.5866 5.05973 15.3823 14.7884 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 8.29467 11.4645 11.5807 11.5866 5.05973 8.40951 14.7884 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 9.10817 9.73548 16.8666 9.23086 17.435 4.91041 5.43601 6.86828 15.043 13.9122 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 6.50357 7.39775 3.63976 8.45764 3.45567 5.79539 5.19086 9.82601 10.322 10.1874 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 5.46926 5.13913 3.39114 7.42932 5.9732 3.79766 7.69449 9.57499 11.4389 12.762 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 5.46926 5.13913 3.39114 7.42932 5.9732 3.79766 7.08227 8.9682 6.92711 4.9764 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 8.9682 9.35539 16.9644 4.9764 5.9732 13.2853 11.8268 9.57499 15.5554 12.762 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 8.9682 9.35539 16.9644 4.9764 5.9732 13.2853 7.08227 5.46926 14.9313 7.42932 numMergedOcc 0
27 mol 277 unq 4 iso 0 dist 8.9682 9.35539 16.9644 6.36559 8.61922 12.4985 11.8268 9.57499 15.5554 14.7874 numMergedOcc 0
28 mol 277 unq 5 iso 0 dist 8.9682 9.35539 16.9644 6.36559 8.61922 12.4985 7.08227 5.46926 14.9313 10.5562 numMergedOcc 0
29 mol 277 unq 6 iso 0 dist 8.9682 6.92711 3.39114 4.9764 5.9732 3.79766 11.8268 9.57499 11.4389 12.762 numMergedOcc 0
30 mol 277 unq 7 iso 0 dist 8.9682 6.92711 3.39114 4.9764 5.9732 3.79766 7.08227 5.46926 5.13913 7.42932 numMergedOcc 0
31 mol 277 unq 8 iso 0 dist 8.9682 6.92711 3.39114 6.36559 8.61922 7.07613 11.8268 9.57499 11.4389 14.7874 numMergedOcc 0
32 mol 277 unq 9 iso 0 dist 8.9682 6.92711 3.39114 6.36559 8.61922 7.07613 7.08227 5.46926 5.13913 10.5562 numMergedOcc 0
33 mol 277 unq 10 iso 0 dist 5.13913 5.46926 3.39114 7.42932 3.79766 5.9732 7.08227 6.92711 8.9682 4.9764 numMergedOcc 0
34 mol 277 unq 11 iso 0 dist 6.92711 9.35539 15.8851 4.9764 3.79766 13.2853 7.08227 5.13913 14.9313 7.42932 numMergedOcc 0
35 mol 277 unq 12 iso 0 dist 6.92711 9.35539 15.8851 6.36559 7.07613 12.4985 7.08227 5.13913 14.9313 10.5562 numMergedOcc 0
36 mol 277 unq 13 iso 0 dist 6.92711 8.9682 3.39114 4.9764 3.79766 5.9732 7.08227 5.13913 5.46926 7.42932 numMergedOcc 0
37 mol 277 unq 14 iso 0 dist 6.92711 8.9682 3.39114 6.36559 7.07613 8.61922 7.08227 5.13913 5.46926 10.5562 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.30758 9.46442 3.57128 9.96374 6.12546 3.08474 10.3106 9.9182 13.4489 15.9302 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 7.30758 9.46442 3.57128 9.96374 6.12546 3.08474 12.6861 9.10788 9.96037 11.6796 numMergedOcc 0
40 mol 292 unq 2 iso 0 dist 7.30758 9.46442 3.57128 5.41432 5.21887 7.07029 10.3106 9.9182 13.4489 10.7295 numMergedOcc 0
41 mol 292 unq 3 iso 0 dist 7.30758 9.46442 3.57128 5.41432 5.21887 7.07029 12.6861 9.10788 9.96037 13.8108 numMergedOcc 0
42 mol 292 unq 4 iso 0 dist 7.30758 9.5785 10.0941 9.96374 6.12546 12.0714 10.3106 9.9182 13.7082 15.9302 numMergedOcc 0
43 mol 292 unq 5 iso 0 dist 7.30758 9.5785 10.0941 9.96374 6.12546 12.0714 12.6861 9.10788 18.9744 11.6796 numMergedOcc 0
44 mol 292 unq 6 iso 0 dist 7.30758 9.5785 10.0941 5.41432 5.21887 5.33188 10.3106 9.9182 13.7082 10.7295 numMergedOcc 0
45 mol 292 unq 7 iso 0 dist 7.30758 9.5785 10.0941 5.41432 5.21887 5.33188 12.6861 9.10788 18.9744 13.8108 numMergedOcc 0
46 mol 292 unq 8 iso 0 dist 7.30758 9.76319 13.2166 9.96374 6.12546 12.7236 10.3106 9.9182 18.0254 15.9302 numMergedOcc 0
47 mol 292 unq 9 iso 0 dist 7.30758 9.76319 13.2166 9.96374 6.12546 12.7236 12.6861 9.10788 21.1604 11.6796 numMergedOcc 0
48 mol 292 unq 10 iso 0 dist 7.30758 9.76319 13.2166 5.41432 5.21887 8.5186 10.3106 9.9182 18.0254 10.7295 numMergedOcc 0
49 mol 292 unq 11 iso 0 dist 7.30758 9.76319 13.2166 5.41432 5.21887 8.5186 12.6861 9.10788 21.1604 13.8108 numMergedOcc 0
50 mol 292 unq 12 iso 0 dist 9.90967 9.9886 8.10966 9.93746 5.04658 3.44186 11.8061 8.38121 10.9396 10.1744 numMergedOcc 0
51 mol 292 unq 13 iso 0 dist 8.38121 7.20674 9.14614 6.69619 12.1704 8.76061 11.8061 9.90967 10.1532 17.2804 numMergedOcc 0
52 mol 292 unq 14 iso 0 dist 8.38121 7.20674 9.14614 4.49592 11.9106 9.42231 11.8061 9.90967 10.1532 16.1146 numMergedOcc 0
