0 mol 18 unq 0 iso 0 dist 8.02108 6.79099 4.96555 6.27914 6.72533 6.39243 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02108 6.79099 4.96555 11.864 8.29216 9.1715 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 8.71965 7.06199 9.81959 4.07433 8.52824 10.2079 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 4.52881 7.16036 6.07691 7.26957 9.53901 14.2564 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 8.49367 7.68916 12.5654 7.74994 7.24782 13.9193 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 8.49367 7.68916 12.5654 10.1982 5.95004 16.6514 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 5.37527 8.89514 10.5385 10.5526 9.14778 18.6542 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 6.24473 8.5073 6.27818 5.77364 8.23566 11.1864 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 9.35378 6.59361 8.6616 11.9918 8.97683 14.0808 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 7.04929 9.78456 5.10629 9.05995 9.74763 14.3659 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.30762 9.64856 5.29246 5.7687 7.8034 10.6529 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.30762 6.38977 8.25445 5.7687 7.8034 9.33945 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 6.30762 9.69757 11.8349 5.7687 7.8034 14.2573 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 6.81055 9.7168 12.052 14.2356 9.74966 21.7332 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 6.81055 7.38138 5.2593 14.2356 9.74966 14.6724 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 6.77966 9.61132 11.9651 14.3323 9.87914 21.7647 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 6.77966 7.34423 5.1918 14.3323 9.87914 14.7418 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 8.46837 7.39961 9.97803 11.1371 6.67598 14.1844 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 8.46837 7.39961 9.97803 8.68948 8.34508 10.5132 numMergedOcc 0
19 mol 156 unq 2 iso 0 dist 8.46837 7.80643 5.0966 11.1371 6.67598 9.19499 numMergedOcc 0
20 mol 156 unq 3 iso 0 dist 8.46837 7.80643 5.0966 8.68948 8.34508 9.97623 numMergedOcc 0
21 mol 189 unq 0 iso 0 dist 9.22035 9.58744 9.97708 14.9087 8.80847 18.6305 numMergedOcc 0
22 mol 199 unq 0 iso 0 dist 9.74632 9.09788 8.8932 9.81805 8.27889 13.8376 numMergedOcc 0
23 mol 231 unq 0 iso 0 dist 9.35875 9.84965 9.0084 3.86034 8.63896 12.206 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 8.9569 7.26647 15.1428 4.64224 8.93368 11.3329 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 8.9569 7.7309 15.7709 4.64224 8.93368 11.4489 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 9.97669 4.96568 5.11366 9.17848 5.10595 5.3051 numMergedOcc 0
27 mol 265 unq 1 iso 0 dist 9.09556 5.81421 5.56416 11.1145 8.19772 11.7979 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.85653 8.27977 6.03718 8.44153 8.15805 12.5257 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 10.8179 6.40686 10.161 numMergedOcc 0
30 mol 282 unq 1 iso 0 dist 9.40138 7.90792 5.04235 10.8179 6.40686 9.83042 numMergedOcc 0
31 mol 282 unq 2 iso 0 dist 8.37963 7.70229 14.9812 4.85023 8.3398 11.9947 numMergedOcc 0
32 mol 282 unq 3 iso 0 dist 8.37963 7.90792 15.4482 4.85023 8.3398 11.8942 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 7.71744 9.27402 9.00582 3.90949 8.38071 12.5216 numMergedOcc 0
34 mol 284 unq 1 iso 0 dist 7.71744 9.26573 7.29392 3.90949 8.38071 12.2768 numMergedOcc 0
35 mol 284 unq 2 iso 0 dist 4.70976 9.27402 5.21448 3.90949 7.80784 12.5216 numMergedOcc 0
36 mol 284 unq 3 iso 0 dist 4.70976 9.26573 5.10189 3.90949 7.80784 12.2768 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 8.80158 8.84268 10.8985 5.32139 7.86768 13.1165 numMergedOcc 0
38 mol 294 unq 1 iso 0 dist 9.83824 9.6958 5.94839 11.0665 6.9719 11.8853 numMergedOcc 0
