0 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 13.0935 12.8323 8.41585 16.3136 12.8006 6.88805 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 6.3236 6.1206 12.8676 7.12508 7.10621 16.3136 12.8006 13.156 9.67164 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.00249 6.3236 7.67927 12.8676 11.143 7.10621 16.3136 17.4215 13.156 9.67164 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 17.8373 12.6165 11.6226 8.09311 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 14.5303 12.7305 13.1949 9.05357 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 14.3837 11.842 5.03027 7.52933 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 8.97282 8.07318 4.69295 6.55597 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 16.2981 13.5069 12.2542 9.71956 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 13.7094 10.9998 8.79309 7.07751 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 16.2637 13.599 8.17061 8.23761 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 16.0229 10.156 13.6145 9.49421 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 8.74209 10.4413 6.75943 12.0618 4.96926 5.73819 14.5833 8.34145 5.07458 6.66407 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 9.85555 12.902 6.75943 14.4841 4.96926 5.73819 14.1685 8.34145 5.07458 6.66407 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 5.48831 7.07356 9.78528 10.6185 13.7925 9.78221 9.55118 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.20886 10.5933 7.66093 5.48831 7.07356 9.78528 4.89334 13.1216 11.6634 9.10345 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 12.905 17.5698 11.3215 9.3948 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 5.87066 9.9573 5.06946 9.74607 numMergedOcc 0
17 mol 95 unq 2 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 12.905 17.0645 11.3215 9.3948 numMergedOcc 0
18 mol 95 unq 3 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 5.87066 10.0817 5.06946 9.74607 numMergedOcc 0
19 mol 95 unq 4 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 12.905 17.8653 11.3215 9.3948 numMergedOcc 0
20 mol 95 unq 5 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 5.87066 11.7225 5.06946 9.74607 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 6.62354 5.68669 8.52024 9.26438 5.00433 8.69985 7.53887 9.09348 4.69373 7.07971 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 8.00085 6.80429 8.52024 6.43255 5.00433 8.69985 7.83378 9.09348 4.69373 7.07971 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 18.5013 10.3209 7.30858 15.9198 10.9431 5.03039 6.04595 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 9.90992 12.718 7.69765 9.79979 4.48636 5.83991 8.33176 9.0534 6.01673 6.24825 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 8.54304 5.98221 6.24825 13.352 6.95773 9.33865 9.02908 7.65564 6.63111 6.39384 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 8.54304 5.98221 6.24825 11.172 6.01673 5.83991 6.67039 9.0534 4.48636 7.69765 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 8.54304 5.98221 6.24825 11.172 6.01673 5.83991 9.02908 7.65564 6.63111 9.42082 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 7.85205 7.96311 6.10127 13.8533 10.5783 7.90328 11.3716 12.9113 7.20875 8.84018 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 9.79337 12.8086 9.86662 11.6261 11.2397 4.00092 7.21868 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 13.8316 17.0908 10.2026 9.33924 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 11.6261 11.2397 4.00092 7.93372 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 6.14652 7.07625 9.33094 9.79337 7.41373 8.94367 11.6261 8.62504 8.06642 7.21868 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 13.8316 15.9693 6.95573 9.33924 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 11.6261 8.62504 8.06642 7.93372 numMergedOcc 0
35 mol 134 unq 6 iso 0 dist 6.14652 10.4858 8.69531 9.79337 7.41373 9.86662 11.6261 8.62504 4.00092 7.21868 numMergedOcc 0
36 mol 134 unq 7 iso 0 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 13.8316 15.9693 10.2026 9.33924 numMergedOcc 0
37 mol 134 unq 8 iso 0 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 11.6261 8.62504 4.00092 7.93372 numMergedOcc 0
38 mol 143 unq 0 iso 0 dist 9.11314 10.5234 5.37047 12.9413 4.78563 5.99315 16.8011 9.94557 13.1926 7.36975 numMergedOcc 0
39 mol 143 unq 1 iso 0 dist 9.11314 10.5234 5.37047 12.9413 4.78563 5.99315 15.2752 9.29944 7.39837 5.40637 numMergedOcc 0
40 mol 243 unq 0 iso 0 dist 8.96099 5.13362 7.10671 11.9467 5.74165 8.23192 5.76716 8.20943 5.71505 8.69318 numMergedOcc 0
41 mol 243 unq 1 iso 0 dist 6.56525 5.8297 7.10671 10.8689 5.74165 8.23192 9.67191 8.20943 5.71505 8.69318 numMergedOcc 0
42 mol 243 unq 2 iso 0 dist 5.46817 5.8297 8.67156 10.8689 9.89868 8.23192 9.67191 12.9457 5.71505 8.69318 numMergedOcc 0
