0 mol 20 unq 0 iso 0 dist 9.44151 8.71628 12.5816 6.81416 6.38533 6.31611 6.98731 14.0449 6.4934 8.72023 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 6.77833 8.06918 6.65811 4.67358 9.03317 11.6542 9.17087 10.1773 8.33704 9.31969 numMergedOcc 0
2 mol 70 unq 1 iso 0 dist 6.77833 8.06918 6.65811 4.67358 9.03317 11.6542 5.33532 9.65964 7.92394 6.54023 numMergedOcc 0
3 mol 70 unq 2 iso 0 dist 6.77833 7.52623 5.47516 4.67358 9.03317 11.7156 9.17087 10.1773 11.6205 9.31969 numMergedOcc 0
4 mol 70 unq 3 iso 0 dist 6.77833 7.52623 5.47516 4.67358 9.03317 11.7156 5.33532 9.65964 9.93423 6.54023 numMergedOcc 0
5 mol 70 unq 4 iso 0 dist 6.77833 5.62294 11.0952 4.67358 9.03317 4.95817 9.17087 10.1773 13.4942 9.31969 numMergedOcc 0
6 mol 70 unq 5 iso 0 dist 6.77833 5.62294 11.0952 4.67358 9.03317 4.95817 5.33532 9.65964 9.34122 6.54023 numMergedOcc 0
7 mol 94 unq 0 iso 0 dist 6.31237 6.64613 7.39788 7.63006 5.60279 5.64735 10.119 10.1664 12.5865 8.16733 numMergedOcc 0
8 mol 94 unq 1 iso 0 dist 6.31237 6.64613 7.39788 7.63006 5.60279 5.64735 6.26149 7.89459 12.0145 9.97569 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 8.86938 6.85365 12.8768 5.9819 8.56707 9.06991 4.9102 7.71338 11.6045 6.43433 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 8.86938 6.85365 12.8768 5.9819 8.56707 9.06991 6.84034 12.603 13.0457 9.92283 numMergedOcc 0
11 mol 112 unq 2 iso 0 dist 7.42474 6.85365 6.35364 5.9819 12.6695 9.06991 4.9102 11.8312 11.6045 6.43433 numMergedOcc 0
12 mol 112 unq 3 iso 0 dist 7.42474 6.85365 6.35364 5.9819 12.6695 9.06991 6.84034 11.438 13.0457 9.92283 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.66715 4.95674 12.0863 8.37793 8.28698 7.68389 13.2145 13.268 11.3058 6.76699 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.00172 4.95674 9.53782 8.37793 5.74088 7.68389 13.2145 6.29155 11.3058 6.76699 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.31276 5.98435 5.31077 5.8367 11.7434 8.05714 11.9678 13.9286 11.425 7.36779 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.31276 5.98435 5.31077 5.8367 11.7434 8.05714 13.0109 15.281 11.2292 8.20836 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.31276 8.80672 14.0644 5.8367 11.7434 13.6926 11.9678 13.9286 20.301 7.36779 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 8.31276 8.80672 14.0644 5.8367 11.7434 13.6926 13.0109 15.281 21.5049 8.20836 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 5.79157 5.98435 6.74887 5.8367 5.12325 8.05714 11.9678 11.3835 11.425 7.36779 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 5.79157 5.98435 6.74887 5.8367 5.12325 8.05714 13.0109 9.86662 11.2292 8.20836 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 5.79157 8.80672 12.6989 5.8367 5.12325 13.6926 11.9678 11.3835 20.301 7.36779 numMergedOcc 0
22 mol 134 unq 7 iso 0 dist 5.79157 8.80672 12.6989 5.8367 5.12325 13.6926 13.0109 9.86662 21.5049 8.20836 numMergedOcc 0
23 mol 134 unq 8 iso 0 dist 5.50687 5.98435 10.9715 5.8367 6.02179 8.05714 11.9678 12.9594 11.425 7.36779 numMergedOcc 0
24 mol 134 unq 9 iso 0 dist 5.50687 5.98435 10.9715 5.8367 6.02179 8.05714 13.0109 14.0375 11.2292 8.20836 numMergedOcc 0
25 mol 134 unq 10 iso 0 dist 5.50687 8.80672 8.96357 5.8367 6.02179 13.6926 11.9678 12.9594 20.301 7.36779 numMergedOcc 0
26 mol 134 unq 11 iso 0 dist 5.50687 8.80672 8.96357 5.8367 6.02179 13.6926 13.0109 14.0375 21.5049 8.20836 numMergedOcc 0
27 mol 134 unq 12 iso 0 dist 7.30919 5.98435 11.4638 5.8367 10.9332 8.05714 11.9678 18.1911 11.425 7.36779 numMergedOcc 0
28 mol 134 unq 13 iso 0 dist 7.30919 5.98435 11.4638 5.8367 10.9332 8.05714 13.0109 17.9288 11.2292 8.20836 numMergedOcc 0
29 mol 134 unq 14 iso 0 dist 7.30919 8.80672 5.9915 5.8367 10.9332 13.6926 11.9678 18.1911 20.301 7.36779 numMergedOcc 0
30 mol 134 unq 15 iso 0 dist 7.30919 8.80672 5.9915 5.8367 10.9332 13.6926 13.0109 17.9288 21.5049 8.20836 numMergedOcc 0
31 mol 189 unq 0 iso 0 dist 8.59972 5.79707 5.59904 9.5853 5.4905 4.34089 5.56399 10.4329 6.50241 8.56355 numMergedOcc 0
32 mol 209 unq 0 iso 0 dist 5.92907 5.20111 6.43758 6.43914 4.90038 9.02883 5.35615 7.56373 9.52027 8.41195 numMergedOcc 0
33 mol 248 unq 0 iso 0 dist 7.40475 7.96942 10.1857 9.08064 5.99459 6.53154 7.63032 7.69895 8.50864 6.17052 numMergedOcc 0
34 mol 248 unq 1 iso 0 dist 7.40475 7.96942 10.1857 9.08064 5.99459 6.53154 6.42334 7.21521 11.9152 9.77666 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 9.07206 5.50677 14.073 9.91954 12.6928 13.2809 15.213 18.4752 18.0296 7.52281 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 9.07206 5.50677 14.073 9.91954 12.6928 13.2809 7.50444 10.6405 11.8981 6.42588 numMergedOcc 0
37 mol 264 unq 2 iso 0 dist 9.07206 8.75957 16.8934 9.91954 12.6928 10.9186 15.213 18.4752 15.1884 7.52281 numMergedOcc 0
38 mol 264 unq 3 iso 0 dist 9.07206 8.75957 16.8934 9.91954 12.6928 10.9186 7.50444 10.6405 12.2387 6.42588 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 7.77765 7.86196 6.17102 5.78275 12.0308 8.73481 9.13951 14.9913 13.4799 7.91611 numMergedOcc 0
