0 mol 11 unq 0 iso 0 dist 7.85585 16.542 9.81983 11.9421 6.83186 6.51674 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.39304 14.7728 8.0991 10.387 6.38866 6.35031 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 7.39304 12.6398 8.80175 10.387 6.38866 5.50427 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 7.39304 10.0977 8.61637 10.387 6.38866 3.54863 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 7.59131 15.5319 8.0991 11.891 6.38866 6.35031 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 7.59131 15.0473 8.80175 11.891 6.38866 5.50427 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 7.59131 12.5758 8.61637 11.891 6.38866 3.54863 numMergedOcc 0
7 mol 34 unq 6 iso 0 dist 9.19223 15.5319 9.95093 17.8253 9.48125 9.92713 numMergedOcc 0
8 mol 53 unq 0 iso 0 dist 6.64877 4.34742 8.19958 7.3584 8.88512 5.80365 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.04721 7.05762 5.54226 4.53269 9.51764 5.5693 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 8.04721 7.05762 5.54226 6.90764 9.29327 11.1265 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 9.72242 6.28068 9.62952 11.6507 7.02358 14.7833 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.7638 5.57104 8.47526 8.42353 7.53342 4.60864 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 7.5669 7.76151 9.84538 9.08641 5.10589 14.1141 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 7.5669 7.76151 9.84538 10.9154 4.63336 13.1539 numMergedOcc 0
15 mol 169 unq 2 iso 0 dist 7.5669 7.76151 9.84538 10.1806 6.10715 11.6489 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.99201 5.83863 9.31569 7.8793 7.25595 9.73374 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 6.99201 5.83863 9.31569 11.482 9.94825 7.47658 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 6.99201 14.9349 8.72743 7.8793 7.25595 14.2269 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 6.99201 14.9349 8.72743 11.482 9.94825 9.76301 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.82242 12.1297 9.89191 11.7987 9.64861 16.2332 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 6.78119 6.41054 4.36333 11.0281 5.58222 5.59732 numMergedOcc 0
22 mol 256 unq 1 iso 0 dist 6.78119 10.2808 6.96483 11.0281 5.58222 3.96807 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 7.55248 7.17033 6.18742 4.60355 7.90368 3.78169 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 7.55248 7.17033 6.18742 10.5706 6.69267 11.7772 numMergedOcc 0
25 mol 281 unq 2 iso 0 dist 6.50041 5.36658 6.18742 6.21647 7.90368 3.78169 numMergedOcc 0
26 mol 281 unq 3 iso 0 dist 6.50041 5.36658 6.18742 8.67682 6.69267 11.7772 numMergedOcc 0
27 mol 281 unq 4 iso 0 dist 5.70591 5.36658 6.8089 9.7837 5.33372 10.3992 numMergedOcc 0
28 mol 281 unq 5 iso 0 dist 5.70591 5.36658 6.8089 8.67682 6.56886 11.7772 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.42001 5.8354 9.25759 4.0634 4.68668 5.39801 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.42001 5.8354 9.25759 4.0634 4.68668 5.39801 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.42001 5.8354 9.25759 4.0634 4.68668 5.39801 numMergedOcc 0
