0 mol 1 unq 0 iso 0 dist 6.36522 7.4868 6.28298 7.52834 9.62879 8.21384 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.74854 9.69819 12.7942 4.35292 9.83409 13.0906 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 4.76499 9.22226 7.13488 5.80918 8.79533 12.4685 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.67955 9.67946 5.77186 8.22296 9.88453 13.7253 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.34695 5.0478 5.01159 10.6593 6.10175 5.7405 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 8.06956 5.39827 12.2523 9.15047 8.50984 12.6858 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 7.33408 5.58337 5.45603 9.44164 8.12966 10.6439 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 8.25891 5.70431 5.86791 10.9987 4.87423 9.03987 numMergedOcc 0
8 mol 71 unq 1 iso 0 dist 8.25891 5.70431 5.86791 5.14057 7.75237 8.63476 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 8.05582 6.07433 5.21899 10.9031 9.37024 12.8006 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 9.32943 7.01146 5.21899 10.9904 9.37024 12.8006 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 8.57865 7.41599 4.36082 8.15855 9.38035 9.37051 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 9.52648 7.41599 12.2353 5.59968 8.39101 11.416 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 5.77703 9.45931 13.1683 5.49686 8.51265 7.35385 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 5.77703 6.35397 9.00056 5.49686 8.51265 8.35864 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 4.65525 6.97467 5.66705 4.50134 8.34508 10.0516 numMergedOcc 0
16 mol 180 unq 0 iso 0 dist 7.8826 9.85088 7.93391 5.46268 8.86377 10.2866 numMergedOcc 0
17 mol 180 unq 1 iso 0 dist 7.8826 9.85088 7.93391 9.01948 8.47156 15.5691 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 6.66619 5.11863 4.84884 3.95306 5.13722 5.0207 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.19185 7.88169 5.35764 9.11754 7.96759 11.8068 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 7.82527 9.46179 9.71243 4.84006 7.0166 13.054 numMergedOcc 0
21 mol 220 unq 2 iso 0 dist 7.82527 9.46179 9.71243 13.2493 8.75468 18.3549 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 8.01717 6.74767 4.63072 7.83238 8.66222 9.9144 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 9.38614 9.36891 15.568 10.6703 8.76889 16.2769 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 9.38614 9.36891 15.568 10.7016 6.37469 19.099 numMergedOcc 0
25 mol 279 unq 2 iso 0 dist 9.38614 7.37358 4.99186 10.6703 8.76889 8.16582 numMergedOcc 0
26 mol 279 unq 3 iso 0 dist 9.38614 7.37358 4.99186 10.7016 6.37469 10.4934 numMergedOcc 0
