0 mol 7 unq 0 iso 0 dist 8.8576 5.83293 6.8464 12.5865 7.15287 7.38748 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 7.0208 5.1956 5.36937 12.8297 7.95811 8.10957 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 7.28563 6.38279 5.36937 13.4561 7.95811 8.10957 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 8.51112 10.7867 7.73217 13.4561 6.24146 7.59564 numMergedOcc 0
4 mol 14 unq 3 iso 0 dist 8.51112 6.38279 5.99703 13.4561 6.24146 8.10957 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 8.10063 6.88453 5.85737 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 9.8294 4.58881 5.52992 10.2012 8.87482 8.74487 numMergedOcc 0
7 mol 33 unq 1 iso 0 dist 9.8294 4.58881 5.52992 11.7282 5.62472 7.44828 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 14.3847 14.9082 8.84944 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 10.2091 4.80528 7.21995 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 5.73331 4.09692 9.47348 5.5483 6.9067 7.32913 numMergedOcc 0
11 mol 55 unq 0 iso 0 dist 7.74108 8.01383 6.7877 12.0412 7.38126 5.24742 numMergedOcc 0
12 mol 55 unq 1 iso 0 dist 7.74108 8.01383 6.7877 13.1181 10.7639 9.29433 numMergedOcc 0
13 mol 55 unq 2 iso 0 dist 7.74108 4.42326 8.02261 12.0412 7.38126 9.24055 numMergedOcc 0
14 mol 55 unq 3 iso 0 dist 7.74108 4.42326 8.02261 13.1181 10.7639 9.66898 numMergedOcc 0
15 mol 75 unq 0 iso 0 dist 8.64872 9.2905 9.20448 12.1267 5.56574 8.25597 numMergedOcc 0
16 mol 75 unq 1 iso 0 dist 8.64872 9.39059 6.96759 12.1267 5.56574 4.76466 numMergedOcc 0
17 mol 75 unq 2 iso 0 dist 8.64872 4.6252 6.97318 12.1267 5.56574 8.67172 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 10.879 9.48465 9.33293 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 6.47346 11.0685 8.59695 11.2025 5.99695 9.52061 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 6.47346 3.86284 6.42706 10.8239 6.29782 9.61101 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 13.8059 17.2988 8.8353 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 14.4446 14.069 9.65031 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 10.1793 4.46956 8.51844 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 20.3843 18.5654 9.52029 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 6.73266 7.03981 9.44947 13.969 18.5654 9.52029 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 6.93717 13.6004 9.9693 13.8152 9.18635 8.57174 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 6.93717 13.6004 9.9693 19.3134 14.1934 6.80214 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 9.61379 8.96279 7.49783 13.0995 6.87755 6.23677 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 9.61379 8.96279 7.49783 17.005 12.3271 9.04741 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 9.61379 8.96279 7.49783 13.0235 11.0252 7.31608 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 8.47457 5.39078 8.80858 9.99396 16.607 8.8113 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 9.80618 7.77821 4.71683 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 8.69345 10.7413 6.11671 15.6543 7.02254 9.86267 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.64889 10.6345 4.81916 12.5202 7.44724 6.66936 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 9.64889 10.6345 4.81916 14.8656 5.77904 8.15119 numMergedOcc 0
36 mol 280 unq 0 iso 0 dist 9.0021 7.41099 5.41639 10.0528 6.07005 4.45141 numMergedOcc 0
