0 mol 25 unq 0 iso 0 dist 9.23015 8.97282 8.07318 13.2682 6.47509 6.55597 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.23015 4.54526 7.44277 8.94828 5.63212 4.79873 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.39587 10.0272 7.01952 8.36524 4.55481 7.18022 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 5.39587 6.65242 4.58552 8.36524 4.55481 6.24711 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.75521 5.34976 9.50614 10.9711 11.4153 6.66407 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.74209 14.5833 8.34145 12.0618 4.96926 6.66407 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 9.85555 14.1685 8.34145 14.4841 4.96926 6.66407 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 8.15039 10.9165 8.77529 16.7537 9.67727 9.2898 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.91019 13.2897 8.46627 9.49512 6.41115 5.5087 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.91019 13.2897 8.46627 11.5741 5.9144 5.61588 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.91019 14.1134 9.22208 9.49512 6.41115 6.08682 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.91019 14.1134 9.22208 11.5741 5.9144 7.83244 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 9.28726 10.8273 9.59729 12.1505 5.31985 6.72869 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 9.28726 10.8273 9.59729 19.3033 15.4159 9.85905 numMergedOcc 0
14 mol 89 unq 0 iso 0 dist 7.02228 10.8883 8.05579 15.2525 10.6632 8.40422 numMergedOcc 0
15 mol 89 unq 1 iso 0 dist 7.02228 10.8883 8.05579 15.6243 9.32983 8.40425 numMergedOcc 0
16 mol 89 unq 2 iso 0 dist 7.02228 10.8883 8.05579 16.2093 10.4274 7.47974 numMergedOcc 0
17 mol 89 unq 3 iso 0 dist 7.02228 10.8883 8.05579 8.85873 6.13636 5.51831 numMergedOcc 0
18 mol 89 unq 4 iso 0 dist 7.02228 10.8883 8.05579 11.2696 6.14929 9.65149 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 6.99586 10.4961 9.99441 12.6171 6.77937 9.36001 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.12769 9.46322 9.79643 12.8005 7.63763 9.11586 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 6.62354 7.53887 9.09348 9.26438 5.00433 7.07971 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 8.00085 7.83378 9.09348 6.43255 5.00433 7.07971 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 8.54304 9.02908 7.65564 13.352 6.95773 6.39384 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 8.54304 9.02908 7.65564 11.172 6.01673 9.42082 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 9.47287 9.41378 7.5573 14.3383 7.21225 6.93139 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 6.14652 11.6261 8.62504 9.14415 4.46337 9.66543 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 6.14652 11.6261 8.62504 9.79337 7.41373 7.21868 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 6.14652 11.6261 8.62504 10.5814 10.8635 7.93372 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 7.96353 6.67639 8.14226 8.31276 15.3018 9.10524 numMergedOcc 0
30 mol 134 unq 4 iso 0 dist 7.96353 6.67639 8.14226 7.30919 5.03507 9.00918 numMergedOcc 0
31 mol 134 unq 5 iso 0 dist 7.96353 4.4987 5.78982 5.50687 5.4761 5.35237 numMergedOcc 0
32 mol 134 unq 6 iso 0 dist 7.96353 4.4987 5.78982 7.30919 5.03507 7.99477 numMergedOcc 0
33 mol 141 unq 0 iso 0 dist 5.05627 6.83215 7.92216 10.9387 13.2918 8.07097 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 9.11314 15.2752 9.29944 12.9413 4.78563 5.40637 numMergedOcc 0
35 mol 162 unq 0 iso 0 dist 9.71155 4.6728 9.43904 5.21803 5.65603 7.37333 numMergedOcc 0
36 mol 162 unq 1 iso 0 dist 9.71155 7.06734 7.01095 5.21803 5.65603 7.45998 numMergedOcc 0
37 mol 197 unq 0 iso 0 dist 8.13526 4.94644 6.69042 13.8688 9.61454 9.10817 numMergedOcc 0
38 mol 197 unq 1 iso 0 dist 8.13526 4.94644 6.69042 10.9987 7.59871 6.86828 numMergedOcc 0
39 mol 206 unq 0 iso 0 dist 9.36144 10.9033 9.95026 6.22964 5.14674 9.21377 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 5.56977 10.4985 9.43017 16.8522 16.8346 7.46481 numMergedOcc 0
41 mol 217 unq 0 iso 0 dist 8.28155 12.1239 9.37602 11.6369 4.64118 7.60269 numMergedOcc 0
42 mol 243 unq 0 iso 0 dist 9.30388 5.76716 8.30024 11.9467 10.2068 8.69318 numMergedOcc 0
43 mol 243 unq 1 iso 0 dist 8.96099 5.76716 8.20943 11.9467 5.74165 8.69318 numMergedOcc 0
44 mol 243 unq 2 iso 0 dist 6.56525 9.67191 8.20943 10.8689 5.74165 8.69318 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 9.22453 10.3171 7.16209 7.151 11.2997 9.57499 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 9.22453 10.3171 7.16209 8.53324 4.40029 5.46926 numMergedOcc 0
47 mol 277 unq 2 iso 0 dist 9.22453 10.3171 7.16209 7.23956 3.97543 8.9682 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 9.22453 10.6814 4.62936 8.53324 4.40029 5.13913 numMergedOcc 0
49 mol 277 unq 4 iso 0 dist 9.22453 10.6814 4.62936 7.23956 3.97543 6.92711 numMergedOcc 0
