0 mol 12 unq 0 iso 0 dist 4.62913 9.79847 11.1357 4.60834 6.6051 8.18139 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.44542 9.79847 5.03514 4.60834 8.15864 8.18139 numMergedOcc 0
2 mol 35 unq 0 iso 0 dist 6.16132 9.33969 4.60958 4.50401 5.28675 9.10084 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 9.1662 8.28839 10.507 3.86843 6.49343 6.04797 numMergedOcc 0
4 mol 63 unq 1 iso 0 dist 9.1662 7.07396 15.191 3.86843 6.49343 8.88058 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 7.28815 9.47964 7.82219 10.1018 8.92529 15.9398 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 6.97882 9.32056 10.3039 6.27329 5.62336 13.6589 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 9.4868 9.32056 12.9613 15.7737 9.90256 21.7658 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 9.4868 9.32056 12.9613 6.27329 5.63748 13.6589 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 5.37819 9.43496 7.25403 12.1737 8.15664 11.295 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 6.36357 4.49975 9.08021 10.4989 6.79959 14.5818 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 5.52891 8.75894 9.74982 6.87376 5.83719 14.5858 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 7.16287 9.98509 9.21191 4.21327 6.94745 13.0468 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 8.79954 8.53936 13.7197 9.70858 9.11481 15.9581 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.20851 6.76574 10.2839 5.93953 6.19457 12.557 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 9.10569 8.8637 7.56199 5.41356 7.36571 7.75405 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 9.10569 8.8637 7.56199 8.1874 9.80122 14.0943 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 9.10569 8.8637 7.56199 4.87986 9.17137 7.49971 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 9.5942 9.71835 4.89645 4.31761 8.52996 7.3963 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.6568 9.94117 7.69003 4.24722 7.74348 8.75172 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 8.65735 9.48105 11.26 7.30402 8.69437 15.4742 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 5.76796 8.27917 5.62841 11.2606 7.872 12.1144 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 5.76796 8.27917 5.62841 8.7778 6.32984 11.6344 numMergedOcc 0
