0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 10.4548 5.99459 6.88805 14.4965 12.8323 9.87885 12.8006 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 6.59001 6.66407 5.07458 10.8355 4.96926 6.75943 8.34145 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 12.6194 7.12321 7.47371 13.9281 5.69391 9.55118 10.6668 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 12.6194 7.12321 7.47371 22.0093 13.4212 9.10345 13.9797 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 5.48831 13.0773 9.96708 10.6185 9.55118 5.69391 11.3204 7.47371 7.12321 10.6668 numMergedOcc 0
5 mol 72 unq 3 iso 0 dist 5.48831 13.0773 9.96708 4.89334 9.10345 13.4212 11.3204 7.47371 7.12321 13.9797 numMergedOcc 0
6 mol 72 unq 4 iso 0 dist 5.48831 10.5933 9.78528 10.6185 9.55118 9.78221 11.3204 7.47371 6.21799 10.6668 numMergedOcc 0
7 mol 72 unq 5 iso 0 dist 5.48831 10.5933 9.78528 10.6185 9.55118 9.78221 12.3271 9.67587 5.03251 12.6707 numMergedOcc 0
8 mol 72 unq 6 iso 0 dist 5.48831 10.5933 9.78528 10.6185 9.55118 9.78221 9.20886 7.07356 7.66093 13.7925 numMergedOcc 0
9 mol 72 unq 7 iso 0 dist 5.48831 10.5933 9.78528 4.89334 9.10345 11.6634 11.3204 7.47371 6.21799 13.9797 numMergedOcc 0
10 mol 72 unq 8 iso 0 dist 5.48831 10.5933 9.78528 4.89334 9.10345 11.6634 12.3271 9.67587 5.03251 14.9302 numMergedOcc 0
11 mol 72 unq 9 iso 0 dist 5.48831 10.5933 9.78528 4.89334 9.10345 11.6634 9.20886 7.07356 7.66093 13.1216 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 6.86713 9.70895 8.03644 12.4753 8.27883 15.6249 16.0926 11.3215 9.3948 17.5698 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 12.4753 8.27883 15.6249 11.392 5.06946 9.74607 9.9573 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 6.86713 9.70895 8.03644 6.52247 5.75428 12.4896 16.0926 11.3215 9.3948 17.0645 numMergedOcc 0
15 mol 95 unq 3 iso 0 dist 6.86713 9.70895 8.03644 6.52247 5.75428 12.4896 11.392 5.06946 9.74607 10.0817 numMergedOcc 0
16 mol 95 unq 4 iso 0 dist 6.86713 9.70895 8.03644 5.89506 8.57395 14.2178 16.0926 11.3215 9.3948 17.8653 numMergedOcc 0
17 mol 95 unq 5 iso 0 dist 6.86713 9.70895 8.03644 5.89506 8.57395 14.2178 11.392 5.06946 9.74607 11.7225 numMergedOcc 0
18 mol 95 unq 6 iso 0 dist 6.86713 9.70895 8.03644 6.40728 9.85409 8.78079 16.0926 11.3215 9.3948 14.0648 numMergedOcc 0
19 mol 95 unq 7 iso 0 dist 6.86713 9.70895 8.03644 6.40728 9.85409 8.78079 11.392 5.06946 9.74607 12.4057 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 7.53887 7.07971 4.69373 6.62354 5.00433 8.52024 9.09348 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 7.83378 7.07971 4.69373 8.00085 5.00433 8.52024 9.09348 numMergedOcc 0
22 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 10.405 7.07971 4.69373 11.8878 5.00433 8.52024 9.09348 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 6.30012 7.22643 6.9945 10.7738 4.88025 8.26547 7.48208 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 7.5055 5.61003 6.82262 6.30012 7.22643 4.19723 10.7738 4.88025 9.05342 7.48208 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 14.2595 9.33924 6.95573 14.395 10.8635 9.33094 15.9693 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 15.9796 7.93372 8.06642 14.395 10.8635 9.33094 8.62504 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 14.2595 9.33924 10.2026 18.4308 15.0225 9.1998 17.0908 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 8.84656 16.7911 9.71307 14.2595 9.33924 10.2026 14.395 10.8635 8.69531 15.9693 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 8.84656 16.7911 9.71307 15.9796 7.93372 4.00092 18.4308 15.0225 9.1998 11.2397 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 8.84656 16.7911 9.71307 15.9796 7.93372 4.00092 14.395 10.8635 8.69531 8.62504 numMergedOcc 0
31 mol 134 unq 6 iso 0 dist 5.79157 13.0109 9.86662 4.72407 9.1998 12.8086 8.8437 4.00092 7.21868 11.2397 numMergedOcc 0
32 mol 134 unq 7 iso 0 dist 5.79157 13.0109 9.86662 7.97297 8.69531 7.41373 8.8437 4.00092 7.21868 8.62504 numMergedOcc 0
33 mol 134 unq 8 iso 0 dist 5.79157 14.1608 9.71307 4.72407 9.1998 15.0225 14.4761 10.2026 9.33924 17.0908 numMergedOcc 0
34 mol 134 unq 9 iso 0 dist 5.79157 14.1608 9.71307 4.72407 9.1998 15.0225 8.8437 4.00092 7.93372 11.2397 numMergedOcc 0
35 mol 134 unq 10 iso 0 dist 5.79157 14.1608 9.71307 7.97297 8.69531 10.8635 14.4761 10.2026 9.33924 15.9693 numMergedOcc 0
36 mol 134 unq 11 iso 0 dist 5.79157 14.1608 9.71307 7.97297 8.69531 10.8635 8.8437 4.00092 7.93372 8.62504 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 4.33589 5.37047 4.78563 11.8017 13.1926 7.36975 9.94557 numMergedOcc 0
38 mol 143 unq 1 iso 0 dist 7.73769 7.36837 5.99315 4.33589 5.37047 4.78563 12.3347 7.39837 5.40637 9.29944 numMergedOcc 0
39 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 12.8554 9.11204 8.44333 10.9114 6.42973 7.06025 9.32938 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 8.97461 11.6506 7.31233 17.3901 9.08509 11.0772 18.2277 10.3162 9.12776 9.51483 numMergedOcc 0
41 mol 243 unq 0 iso 0 dist 7.80612 9.62983 8.23192 11.091 7.10671 5.74165 12.6512 5.71505 8.69318 8.20943 numMergedOcc 0
42 mol 243 unq 1 iso 0 dist 7.80612 9.62983 8.23192 8.97902 8.67156 9.89868 12.6512 5.71505 8.69318 12.9457 numMergedOcc 0
