0 mol 25 unq 0 iso 0 dist 9.23015 8.97282 8.07318 13.2682 6.47509 6.55597 10.7149 7.05196 4.69295 5.04899 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.23015 4.54526 7.44277 8.94828 5.63212 4.79873 14.2406 10.9703 10.2864 7.57578 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 9.23015 4.54526 7.44277 8.94828 5.63212 4.79873 15.6642 10.3338 11.4148 7.17969 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 6.75521 5.34976 9.50614 10.9711 11.4153 6.66407 10.3283 13.8936 5.07458 5.73819 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.74209 14.5833 8.34145 12.0618 4.96926 6.66407 10.4413 6.75943 5.07458 5.73819 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 9.85555 14.1685 8.34145 14.4841 4.96926 6.66407 12.902 6.75943 5.07458 5.73819 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.91019 13.2897 8.46627 9.49512 6.41115 5.5087 16.6475 15.0347 11.2069 8.70481 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.91019 14.1134 9.22208 9.49512 6.41115 6.08682 16.6475 15.0347 10.6713 8.70481 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 6.99586 10.4961 9.99441 12.6171 6.77937 9.36001 15.2566 12.8197 5.31547 9.64443 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 6.62354 7.53887 9.09348 9.26438 5.00433 7.07971 5.68669 8.52024 4.69373 8.69985 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 8.00085 7.83378 9.09348 6.43255 5.00433 7.07971 6.80429 8.52024 4.69373 8.69985 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.54304 9.02908 7.65564 13.352 6.95773 6.39384 5.98221 6.24825 6.63111 9.33865 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 8.54304 9.02908 7.65564 13.352 6.95773 6.39384 13.0823 10.0255 6.07067 6.11741 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 8.54304 9.02908 7.65564 11.172 6.01673 9.42082 16.2427 13.22 15.3161 7.30858 numMergedOcc 0
14 mol 115 unq 3 iso 0 dist 8.54304 9.02908 7.65564 11.172 6.01673 9.42082 5.98221 6.24825 6.63111 5.83991 numMergedOcc 0
15 mol 115 unq 4 iso 0 dist 8.54304 9.02908 7.65564 11.172 6.01673 9.42082 13.0823 10.0255 6.07067 7.88312 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 9.47287 9.41378 7.5573 14.3383 7.21225 6.93139 13.0942 10.4778 4.97996 8.70949 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 6.14652 11.6261 8.62504 9.79337 7.41373 7.21868 7.07625 9.33094 8.06642 8.94367 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 6.14652 11.6261 8.62504 9.79337 7.41373 7.21868 10.4858 8.69531 4.00092 9.86662 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 6.14652 11.6261 8.62504 10.5814 10.8635 7.93372 7.07625 9.33094 8.06642 6.37586 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 6.14652 11.6261 8.62504 10.5814 10.8635 7.93372 10.4858 8.69531 4.00092 9.71307 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 9.11314 15.2752 9.29944 12.9413 4.78563 5.40637 10.5234 5.37047 7.39837 5.99315 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 5.56977 10.4985 9.43017 16.8522 16.8346 7.46481 16.36 18.1547 11.4955 9.65138 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 5.56977 10.4985 9.43017 16.8522 16.8346 7.46481 13.0574 15.2984 8.459 7.14453 numMergedOcc 0
24 mol 214 unq 2 iso 0 dist 5.56977 10.4985 9.43017 16.8522 16.8346 7.46481 18.0745 18.5607 11.1534 8.85478 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 9.30388 5.76716 8.30024 11.9467 10.2068 8.69318 5.13362 10.5519 5.71505 8.23192 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 8.96099 5.76716 8.20943 11.9467 5.74165 8.69318 5.13362 7.10671 5.71505 8.23192 numMergedOcc 0
27 mol 243 unq 2 iso 0 dist 6.56525 9.67191 8.20943 10.8689 5.74165 8.69318 5.8297 7.10671 5.71505 8.23192 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.22453 10.3171 7.16209 7.23956 3.97543 8.9682 15.6875 12.1398 17.6038 9.7748 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 9.22453 10.6814 4.62936 7.23956 3.97543 6.92711 15.6875 12.1398 14.772 9.7748 numMergedOcc 0
