0 mol 16 unq 0 iso 0 dist 6.42835 6.57331 6.09368 10.2656 7.65889 13.1847 5.30082 5.94982 10.0132 6.51133 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.48085 4.79873 12.7147 10.9391 9.49421 12.3944 6.08585 6.53269 9.35791 5.77929 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.48085 4.79873 12.7147 10.9391 9.49421 12.3944 9.15781 9.81524 12.5177 6.68639 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.49421 7.52933 16.0628 10.9391 9.48085 16.4232 5.77929 6.53269 12.7995 6.08585 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 9.49421 7.52933 16.0628 10.9391 9.48085 16.4232 6.68639 9.81524 13.5372 9.15781 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 9.49421 6.55597 12.1732 10.9391 9.48085 11.037 5.77929 6.53269 9.16515 6.08585 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 9.49421 6.55597 12.1732 10.9391 9.48085 11.037 6.68639 9.81524 11.7789 9.15781 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 9.49421 9.71956 8.99147 10.9391 9.48085 14.581 5.77929 6.53269 11.5214 6.08585 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 9.49421 9.71956 8.99147 10.9391 9.48085 14.581 6.68639 9.81524 14.8131 9.15781 numMergedOcc 0
9 mol 25 unq 8 iso 0 dist 9.49421 7.07751 9.54872 10.9391 9.48085 13.0315 5.77929 6.53269 9.82987 6.08585 numMergedOcc 0
10 mol 25 unq 9 iso 0 dist 9.49421 7.07751 9.54872 10.9391 9.48085 13.0315 6.68639 9.81524 12.893 9.15781 numMergedOcc 0
11 mol 25 unq 10 iso 0 dist 9.49421 8.23761 14.6175 10.9391 9.48085 17.2964 5.77929 6.53269 13.3492 6.08585 numMergedOcc 0
12 mol 25 unq 11 iso 0 dist 9.49421 8.23761 14.6175 10.9391 9.48085 17.2964 6.68639 9.81524 14.9101 9.15781 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 8.96727 8.01308 6.20884 4.81926 9.22598 9.55996 5.49591 9.01564 7.11065 9.95364 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 7.48086 9.95132 8.42811 6.54743 7.57295 12.544 5.32257 6.63448 11.2466 9.49968 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 7.48086 9.95132 8.42811 5.00018 8.4312 14.0656 5.32257 6.63448 11.2466 5.94827 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 7.4369 8.68662 3.30399 5.4148 9.73086 12.2276 6.56633 6.14542 8.96616 5.11416 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.92242 7.02507 9.6331 9.51923 5.10496 9.89095 15.7178 9.84703 17.5956 7.94178 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.92242 7.02507 9.6331 9.51923 5.10496 9.89095 7.42446 4.62494 9.84743 4.4057 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 5.92242 7.02507 9.6331 9.42358 5.2571 12.7417 15.7178 9.84703 17.5956 9.85543 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 5.92242 7.02507 9.6331 9.42358 5.2571 12.7417 7.42446 4.62494 9.84743 9.67482 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 5.92242 7.02507 9.6331 13.9786 8.7497 17.1287 15.7178 9.84703 17.5956 7.28361 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 5.92242 7.02507 9.6331 13.9786 8.7497 17.1287 7.42446 4.62494 9.84743 12.0974 numMergedOcc 0
23 mol 98 unq 6 iso 0 dist 7.54889 5.2571 6.70343 13.659 9.64383 14.0897 9.67482 8.46823 4.62494 16.4267 numMergedOcc 0
24 mol 98 unq 7 iso 0 dist 7.54889 5.2571 6.70343 13.659 9.64383 14.0897 9.85543 9.25444 9.84703 18.5442 numMergedOcc 0
25 mol 98 unq 8 iso 0 dist 7.54889 5.2571 6.70343 5.02887 7.78931 8.7497 9.67482 8.46823 4.62494 12.0974 numMergedOcc 0
26 mol 98 unq 9 iso 0 dist 7.54889 5.2571 6.70343 5.02887 7.78931 8.7497 9.85543 9.25444 9.84703 7.28361 numMergedOcc 0
27 mol 98 unq 10 iso 0 dist 5.2571 7.54889 6.70343 8.40073 5.10496 9.81956 9.85543 9.84703 9.25444 7.94178 numMergedOcc 0
28 mol 98 unq 11 iso 0 dist 5.2571 7.54889 6.70343 8.40073 5.10496 9.81956 9.67482 4.62494 8.46823 4.4057 numMergedOcc 0
29 mol 98 unq 12 iso 0 dist 5.2571 7.54889 6.70343 9.42358 5.92242 10.8223 9.85543 9.84703 9.25444 15.7178 numMergedOcc 0
30 mol 98 unq 13 iso 0 dist 5.2571 7.54889 6.70343 9.42358 5.92242 10.8223 9.67482 4.62494 8.46823 7.42446 numMergedOcc 0
31 mol 98 unq 14 iso 0 dist 5.2571 7.54889 6.70343 5.02887 8.7497 7.78931 9.85543 9.84703 9.25444 7.28361 numMergedOcc 0
32 mol 98 unq 15 iso 0 dist 5.2571 7.54889 6.70343 5.02887 8.7497 7.78931 9.67482 4.62494 8.46823 12.0974 numMergedOcc 0
33 mol 98 unq 16 iso 0 dist 7.78931 8.7497 6.70343 14.591 9.64383 14.0897 12.0974 8.46823 4.62494 16.4267 numMergedOcc 0
34 mol 98 unq 17 iso 0 dist 7.78931 8.7497 6.70343 14.591 9.64383 14.0897 7.28361 9.25444 9.84703 18.5442 numMergedOcc 0
35 mol 98 unq 18 iso 0 dist 7.78931 8.7497 6.70343 5.02887 7.54889 5.2571 12.0974 8.46823 4.62494 9.67482 numMergedOcc 0
36 mol 98 unq 19 iso 0 dist 7.78931 8.7497 6.70343 5.02887 7.54889 5.2571 7.28361 9.25444 9.84703 9.85543 numMergedOcc 0
37 mol 98 unq 20 iso 0 dist 8.7497 7.78931 6.70343 10.2427 5.10496 9.81956 7.28361 9.84703 9.25444 7.94178 numMergedOcc 0
38 mol 98 unq 21 iso 0 dist 8.7497 7.78931 6.70343 10.2427 5.10496 9.81956 12.0974 4.62494 8.46823 4.4057 numMergedOcc 0
39 mol 98 unq 22 iso 0 dist 8.7497 7.78931 6.70343 13.9786 5.92242 10.8223 7.28361 9.84703 9.25444 15.7178 numMergedOcc 0
40 mol 98 unq 23 iso 0 dist 8.7497 7.78931 6.70343 13.9786 5.92242 10.8223 12.0974 4.62494 8.46823 7.42446 numMergedOcc 0
41 mol 98 unq 24 iso 0 dist 8.7497 7.78931 6.70343 5.02887 5.2571 7.54889 7.28361 9.84703 9.25444 9.85543 numMergedOcc 0
42 mol 98 unq 25 iso 0 dist 8.7497 7.78931 6.70343 5.02887 5.2571 7.54889 12.0974 4.62494 8.46823 9.67482 numMergedOcc 0
43 mol 100 unq 0 iso 0 dist 9.21662 9.90751 6.25463 10.8375 8.91882 13.2137 6.12107 6.55173 7.81446 6.71012 numMergedOcc 0
44 mol 100 unq 1 iso 0 dist 9.21662 9.90751 6.25463 10.8375 8.91882 13.2137 5.42531 6.59691 10.3057 5.80144 numMergedOcc 0
45 mol 134 unq 0 iso 0 dist 9.10524 6.42772 7.62195 14.069 9.00918 11.8779 6.98221 7.83568 11.0688 14.2198 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 7.93372 9.33924 11.4107 10.7144 9.66543 18.0094 5.29786 9.0176 12.2587 7.1797 numMergedOcc 0
47 mol 134 unq 2 iso 0 dist 7.93372 9.33924 11.4107 5.49782 7.21868 13.9752 5.29786 9.0176 12.2587 4.57832 numMergedOcc 0
48 mol 134 unq 3 iso 0 dist 9.00918 7.99477 4.87973 14.069 9.10524 10.6728 14.2198 7.83568 12.0743 6.98221 numMergedOcc 0
49 mol 167 unq 0 iso 0 dist 6.84752 7.68266 3.55199 6.44246 7.86563 7.6616 4.64019 8.86449 10.4753 5.90938 numMergedOcc 0
50 mol 167 unq 1 iso 0 dist 6.84752 7.68266 3.55199 4.70068 7.02548 9.2289 4.64019 8.86449 10.4753 7.08726 numMergedOcc 0
51 mol 167 unq 2 iso 0 dist 7.86563 7.6616 3.55199 6.44246 6.84752 7.68266 5.90938 8.86449 10.4753 4.64019 numMergedOcc 0
52 mol 167 unq 3 iso 0 dist 7.86563 7.6616 3.55199 10.3445 7.02548 9.2289 5.90938 8.86449 10.4753 7.08726 numMergedOcc 0
53 mol 167 unq 4 iso 0 dist 7.02548 7.20495 6.81449 4.70068 6.84752 10.5499 7.08726 8.86449 12.89 4.64019 numMergedOcc 0
54 mol 167 unq 5 iso 0 dist 7.02548 7.20495 6.81449 10.3445 7.86563 14.1851 7.08726 8.86449 12.89 5.90938 numMergedOcc 0
55 mol 167 unq 6 iso 0 dist 7.02548 9.2289 3.55199 4.70068 6.84752 7.68266 7.08726 8.86449 10.4753 4.64019 numMergedOcc 0
56 mol 167 unq 7 iso 0 dist 7.02548 9.2289 3.55199 10.3445 7.86563 7.6616 7.08726 8.86449 10.4753 5.90938 numMergedOcc 0
57 mol 181 unq 0 iso 0 dist 9.01624 6.64173 11.196 11.5866 5.05973 15.3823 7.20191 5.99437 12.6232 5.48529 numMergedOcc 0
58 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 11.5866 5.05973 8.40951 7.20191 5.99437 8.4848 5.48529 numMergedOcc 0
59 mol 235 unq 0 iso 0 dist 8.19317 6.29377 4.8835 7.218 5.1823 5.70635 6.82855 8.97952 10.1845 6.46722 numMergedOcc 0
60 mol 235 unq 1 iso 0 dist 5.1823 5.70635 4.8835 7.218 8.19317 6.29377 6.46722 8.97952 10.1845 6.82855 numMergedOcc 0
61 mol 277 unq 0 iso 0 dist 5.46926 5.13913 3.39114 7.69449 9.57499 11.4389 4.37645 9.26157 9.11117 6.28695 numMergedOcc 0
62 mol 277 unq 1 iso 0 dist 5.46926 5.13913 3.39114 7.08227 8.9682 6.92711 4.37645 9.26157 9.11117 7.70529 numMergedOcc 0
63 mol 277 unq 2 iso 0 dist 8.9682 9.35539 16.9644 11.8268 9.57499 15.5554 7.70529 9.26157 12.9467 6.28695 numMergedOcc 0
64 mol 277 unq 3 iso 0 dist 8.9682 9.35539 16.9644 7.08227 5.46926 14.9313 7.70529 9.26157 12.9467 4.37645 numMergedOcc 0
65 mol 277 unq 4 iso 0 dist 8.9682 6.92711 3.39114 11.8268 9.57499 11.4389 7.70529 9.26157 9.11117 6.28695 numMergedOcc 0
66 mol 277 unq 5 iso 0 dist 8.9682 6.92711 3.39114 7.08227 5.46926 5.13913 7.70529 9.26157 9.11117 4.37645 numMergedOcc 0
