0 mol 1 unq 0 iso 0 dist 8.70365 9.34725 6.71753 7.16224 12.0223 8.69605 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.33719 9.34725 10.4572 7.16224 5.74199 8.69605 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 6.69294 9.24546 10.7182 10.495 14.2993 7.59564 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 6.69294 7.79091 12.3636 10.495 14.2993 8.10957 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 8.71965 9.50568 13.3791 10.2834 16.9326 5.52834 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.91858 8.50028 4.63063 5.19187 10.0291 7.45777 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.5442 8.50028 4.68175 5.19187 9.27331 7.45777 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 6.21251 7.6104 12.8269 13.468 18.7924 7.2118 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 9.28786 4.58684 6.19637 5.79354 12.1719 6.22441 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 9.28786 6.90348 11.3571 5.79354 12.1719 5.91543 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 6.73874 9.99609 15.177 12.809 19.2368 9.90256 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 6.73874 9.99609 15.177 8.37496 15.0785 7.57471 numMergedOcc 0
12 mol 99 unq 0 iso 0 dist 6.24473 5.57391 4.74328 4.73115 6.81741 8.68674 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 9.0807 7.68908 8.96379 6.35861 13.0426 7.66418 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 9.0807 7.68908 8.96379 5.56761 7.81042 8.078 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 6.30762 8.98949 10.1774 12.1136 15.3607 6.08846 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.30762 8.98949 10.1774 15.0398 16.1827 9.19171 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 4.84604 6.29879 5.35551 6.92975 9.07294 5.79195 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 4.84604 6.29879 5.35551 6.53637 7.50126 9.2759 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 4.84604 6.29879 5.35551 11.1722 12.8985 8.76088 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.91507 9.67331 10.6104 4.92832 5.33543 9.88178 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 9.10711 8.96503 14.538 4.79799 11.5922 5.86839 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 8.94211 8.96503 12.6987 4.79799 12.2445 5.86839 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 9.54076 6.61789 7.48216 5.87078 6.41444 8.05949 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.77267 9.92349 13.0906 11.12 12.22 5.25149 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 8.77267 9.70779 4.56028 11.12 12.22 8.6368 numMergedOcc 0
26 mol 226 unq 0 iso 0 dist 6.93858 9.82101 9.19013 9.17371 13.7742 8.52996 numMergedOcc 0
27 mol 255 unq 0 iso 0 dist 5.17191 8.01663 6.41518 9.80877 10.6136 7.57779 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.85653 8.12646 11.304 4.91933 10.1912 7.83793 numMergedOcc 0
29 mol 293 unq 0 iso 0 dist 9.50932 8.84911 11.9388 11.1018 18.15 9.65156 numMergedOcc 0
