0 mol 18 unq 0 iso 0 dist 8.81762 8.95573 4.71158 6.91413 11.6899 11.2059 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.32149 8.95573 8.70343 6.91413 5.53824 11.2059 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.44151 8.71628 12.5816 6.81416 6.38533 6.31611 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.36524 5.73257 8.90278 8.8717 14.0576 8.15141 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 6.77833 8.06918 6.65811 4.67358 9.03317 11.6542 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 6.77833 7.52623 5.47516 4.67358 9.03317 11.7156 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 6.77833 5.62294 11.0952 4.67358 9.03317 4.95817 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.96446 9.62702 10.9381 7.05954 5.69731 6.39495 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.96446 6.97484 12.1976 7.05954 5.69731 8.23539 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 6.70686 9.62702 7.17408 7.05954 4.14907 6.39495 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 6.70686 6.97484 10.944 7.05954 4.14907 8.23539 numMergedOcc 0
11 mol 94 unq 0 iso 0 dist 6.31237 6.64613 7.39788 7.63006 5.60279 5.64735 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 8.86938 6.85365 12.8768 5.9819 8.56707 9.06991 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 7.42474 6.85365 6.35364 5.9819 12.6695 9.06991 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 7.2443 8.94447 8.69934 9.05365 9.88829 16.7805 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 8.3127 9.81998 4.64539 7.03633 4.81686 9.07138 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.66715 4.95674 12.0863 8.37793 8.28698 7.68389 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 9.00172 4.95674 9.53782 8.37793 5.74088 7.68389 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.31276 5.98435 5.31077 5.8367 11.7434 8.05714 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.31276 8.80672 14.0644 5.8367 11.7434 13.6926 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 5.79157 5.98435 6.74887 5.8367 5.12325 8.05714 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 5.79157 8.80672 12.6989 5.8367 5.12325 13.6926 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 5.50687 5.98435 10.9715 5.8367 6.02179 8.05714 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 5.50687 8.80672 8.96357 5.8367 6.02179 13.6926 numMergedOcc 0
24 mol 134 unq 6 iso 0 dist 7.30919 5.98435 11.4638 5.8367 10.9332 8.05714 numMergedOcc 0
25 mol 134 unq 7 iso 0 dist 7.30919 8.80672 5.9915 5.8367 10.9332 13.6926 numMergedOcc 0
26 mol 154 unq 0 iso 0 dist 6.44195 5.81632 5.83431 6.03116 6.45768 8.33921 numMergedOcc 0
27 mol 154 unq 1 iso 0 dist 7.34207 5.81632 6.53652 6.03116 6.55507 8.33921 numMergedOcc 0
28 mol 167 unq 0 iso 0 dist 7.9895 9.4422 6.06723 6.6276 6.44546 7.04972 numMergedOcc 0
29 mol 167 unq 1 iso 0 dist 6.53913 9.4422 6.58937 6.6276 5.48292 7.04972 numMergedOcc 0
30 mol 189 unq 0 iso 0 dist 8.59972 5.79707 5.59904 9.5853 5.4905 4.34089 numMergedOcc 0
31 mol 209 unq 0 iso 0 dist 5.92907 5.20111 6.43758 9.95951 5.96694 9.89528 numMergedOcc 0
32 mol 209 unq 1 iso 0 dist 5.92907 5.20111 6.43758 6.43914 4.90038 9.02883 numMergedOcc 0
33 mol 233 unq 0 iso 0 dist 6.48196 7.99897 8.96098 7.07507 8.2372 11.0789 numMergedOcc 0
34 mol 248 unq 0 iso 0 dist 7.40475 7.96942 10.1857 9.08064 5.99459 6.53154 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 9.07206 5.50677 14.073 9.91954 12.6928 13.2809 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 9.07206 8.75957 16.8934 9.91954 12.6928 10.9186 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 9.27716 9.26654 6.82073 6.42743 13.9013 10.3569 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 7.77765 7.86196 6.17102 5.78275 12.0308 8.73481 numMergedOcc 0
