0 mol 15 unq 0 iso 0 dist 9.63035 4.89563 6.78983 10.4763 9.09251 11.2573 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.38298 9.55169 13.5023 5.57445 7.34681 6.53817 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.38298 9.45609 14.3796 5.57445 7.34681 14.4487 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.78393 7.59663 3.73188 8.77769 7.43409 8.04926 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.49371 5.17291 7.84269 10.6821 5.73235 10.3438 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.49371 5.17291 7.84269 15.7787 7.48127 15.0588 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 5.05941 8.81569 7.84269 10.205 5.73235 10.3438 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 5.05941 8.81569 7.84269 7.90785 7.48127 15.0588 numMergedOcc 0
8 mol 94 unq 0 iso 0 dist 8.30781 7.34401 4.83168 4.84577 9.25496 10.1568 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 8.91952 8.26309 9.02414 6.99545 6.56481 11.5109 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 5.92115 9.06272 6.13737 10.9159 9.52061 10.482 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.32304 7.49404 7.47571 8.6975 6.08846 11.5954 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.32304 7.49404 7.47571 13.631 9.19171 16.2977 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 5.13315 7.665 4.81264 6.63708 4.44987 7.15418 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.39237 5.47189 13.4775 14.8436 6.72718 19.4981 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 5.42463 7.96375 6.51118 5.73389 9.64195 13.5978 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 5.90912 6.18991 4.88904 7.44363 6.52136 10.523 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 9.87759 8.19458 7.84735 6.55274 8.78924 10.6524 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 9.87759 8.19458 7.84735 15.0967 7.70472 12.2736 numMergedOcc 0
19 mol 243 unq 2 iso 0 dist 9.87759 9.45133 9.66206 6.55274 8.78924 13.753 numMergedOcc 0
20 mol 243 unq 3 iso 0 dist 9.87759 9.45133 9.66206 15.0967 7.70472 15.9579 numMergedOcc 0
21 mol 243 unq 4 iso 0 dist 6.0854 8.19458 7.07529 6.55274 4.64178 10.6524 numMergedOcc 0
22 mol 243 unq 5 iso 0 dist 6.0854 8.19458 7.07529 15.0967 9.16988 12.2736 numMergedOcc 0
23 mol 243 unq 6 iso 0 dist 6.0854 9.45133 9.86055 6.55274 4.64178 13.753 numMergedOcc 0
24 mol 243 unq 7 iso 0 dist 6.0854 9.45133 9.86055 15.0967 9.16988 15.9579 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 6.88579 9.0157 9.37444 5.7486 3.67935 11.6265 numMergedOcc 0
26 mol 249 unq 1 iso 0 dist 6.88579 9.14351 14.2876 5.7486 3.67935 14.5656 numMergedOcc 0
27 mol 249 unq 2 iso 0 dist 7.30848 9.0157 9.92121 5.7486 8.00386 11.6265 numMergedOcc 0
28 mol 249 unq 3 iso 0 dist 7.30848 9.14351 12.8314 5.7486 8.00386 14.5656 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 6.95552 8.26503 6.96581 7.51285 8.57274 11.3861 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 6.95552 9.80417 5.38982 7.51285 8.57274 12.9994 numMergedOcc 0
31 mol 276 unq 0 iso 0 dist 7.64844 6.97104 6.91945 5.58105 7.60807 11.1221 numMergedOcc 0
