0 mol 11 unq 0 iso 0 dist 5.96346 8.68293 13.5125 10.7734 7.98326 18.8128 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.96346 8.68293 13.5125 9.62262 7.46578 14.8057 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.96346 6.84216 6.76736 10.7734 7.98326 9.81983 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 5.96346 6.84216 6.76736 9.62262 7.46578 13.0898 numMergedOcc 0
4 mol 11 unq 4 iso 0 dist 6.35398 8.01262 12.9584 10.9183 7.98326 18.6918 numMergedOcc 0
5 mol 11 unq 5 iso 0 dist 6.35398 8.01262 12.9584 9.99434 7.90478 15.3537 numMergedOcc 0
6 mol 11 unq 6 iso 0 dist 6.35398 6.58046 6.51674 10.9183 7.98326 10.0282 numMergedOcc 0
7 mol 11 unq 7 iso 0 dist 6.35398 6.58046 6.51674 9.99434 7.90478 13.2204 numMergedOcc 0
8 mol 15 unq 0 iso 0 dist 5.89412 8.4014 5.69755 9.75966 6.03257 11.1524 numMergedOcc 0
9 mol 17 unq 0 iso 0 dist 9.78331 8.70792 6.43075 5.67637 7.25951 10.1852 numMergedOcc 0
10 mol 17 unq 1 iso 0 dist 9.78331 8.70792 6.43075 4.03817 7.92012 5.16502 numMergedOcc 0
11 mol 19 unq 0 iso 0 dist 6.41423 7.7312 5.31883 7.08342 9.95212 12.7679 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 7.33768 7.49157 7.02381 6.66749 8.00171 11.4816 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 7.33768 7.73794 7.18485 6.66749 8.00171 12.7944 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 9.01567 7.49157 13.4969 6.66749 4.2121 11.4816 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 9.01567 7.73794 13.9252 6.66749 4.2121 12.7944 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 6.73939 8.23075 12.2839 6.56748 5.95834 14.3213 numMergedOcc 0
17 mol 24 unq 5 iso 0 dist 6.73939 8.23075 12.2839 4.50066 4.2121 12.1223 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 6.73939 8.23075 12.2839 11.9112 8.00171 17.9863 numMergedOcc 0
19 mol 24 unq 7 iso 0 dist 6.73939 8.23075 12.2839 5.11617 6.72323 7.85986 numMergedOcc 0
20 mol 24 unq 8 iso 0 dist 6.73939 4.7841 6.22954 6.56748 5.95834 9.34593 numMergedOcc 0
21 mol 24 unq 9 iso 0 dist 6.73939 4.7841 6.22954 4.50066 4.2121 7.03544 numMergedOcc 0
22 mol 24 unq 10 iso 0 dist 6.73939 4.7841 6.22954 11.9112 8.00171 12.7273 numMergedOcc 0
23 mol 24 unq 11 iso 0 dist 6.73939 4.7841 6.22954 5.11617 6.72323 4.30252 numMergedOcc 0
24 mol 24 unq 12 iso 0 dist 7.29868 7.49157 14.1137 6.66749 6.72323 11.4816 numMergedOcc 0
25 mol 24 unq 13 iso 0 dist 7.29868 7.73794 13.4584 6.66749 6.72323 12.7944 numMergedOcc 0
26 mol 32 unq 0 iso 0 dist 7.99969 8.91596 10.8132 10.8897 8.5315 16.3797 numMergedOcc 0
27 mol 92 unq 0 iso 0 dist 5.9465 5.42067 5.09449 8.70803 6.77241 11.308 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 5.9465 5.42067 5.09449 9.52327 5.50508 9.68537 numMergedOcc 0
29 mol 92 unq 2 iso 0 dist 6.97962 7.36435 5.09449 8.87994 6.77241 11.308 numMergedOcc 0
30 mol 92 unq 3 iso 0 dist 6.97962 7.36435 5.09449 11.641 5.50508 9.68537 numMergedOcc 0
31 mol 98 unq 0 iso 0 dist 6.65501 7.92856 11.6496 7.06961 6.88901 13.6994 numMergedOcc 0
32 mol 102 unq 0 iso 0 dist 8.31932 5.54256 7.28191 4.48396 8.88394 6.07633 numMergedOcc 0
33 mol 113 unq 0 iso 0 dist 8.8822 7.02367 5.40648 7.27193 6.6317 9.62952 numMergedOcc 0
34 mol 113 unq 1 iso 0 dist 8.8822 9.30832 15.5674 7.27193 6.6317 16.2944 numMergedOcc 0
35 mol 119 unq 0 iso 0 dist 8.99399 7.60162 5.77063 7.45148 7.20249 6.21165 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.22122 9.70481 13.4378 6.06566 7.32087 14.4143 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 6.22122 9.70481 13.4378 13.0409 8.86197 18.6281 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 5.94469 8.29467 3.63671 9.69409 9.92471 12.4791 numMergedOcc 0
39 mol 184 unq 0 iso 0 dist 6.42735 9.84566 5.05856 8.08596 7.54099 10.6991 numMergedOcc 0
40 mol 184 unq 1 iso 0 dist 6.42735 8.22001 5.69882 8.08596 7.54099 10.6243 numMergedOcc 0
41 mol 194 unq 0 iso 0 dist 8.65535 9.52922 3.7326 11.6598 6.1886 8.13022 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 9.05071 8.25985 12.159 4.9377 9.8664 9.78273 numMergedOcc 0
43 mol 232 unq 1 iso 0 dist 9.05071 9.27788 8.36223 4.9377 9.8664 11.9664 numMergedOcc 0
44 mol 237 unq 0 iso 0 dist 9.20822 9.7255 12.5736 10.6582 8.10254 12.0818 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 8.94014 8.94231 13.4894 5.50308 5.92374 9.78013 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 7.02333 8.88652 13.4894 7.11984 5.92374 9.78013 numMergedOcc 0
47 mol 238 unq 2 iso 0 dist 8.67864 6.46771 13.4894 7.95232 5.92374 9.78013 numMergedOcc 0
48 mol 265 unq 0 iso 0 dist 6.71375 9.28128 12.6979 10.0732 8.984 18.8578 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 9.85289 9.83622 5.14522 5.29529 6.88827 9.2199 numMergedOcc 0
