0 mol 93 unq 0 iso 0 dist 5.77804 6.70158 6.42941 3.74136 7.85041 10.4115 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 5.77804 7.29701 6.957 3.74136 7.85041 7.62611 numMergedOcc 0
2 mol 128 unq 0 iso 0 dist 5.89919 8.15593 3.98036 7.33078 9.89462 13.3574 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 9.02079 8.65287 7.20197 4.91324 5.38314 6.95405 numMergedOcc 0
4 mol 147 unq 0 iso 0 dist 7.9061 6.6094 10.7872 5.78019 5.1101 7.25644 numMergedOcc 0
5 mol 147 unq 1 iso 0 dist 4.48898 6.6094 7.66774 5.78019 7.01133 7.25644 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 7.08808 6.29351 5.69209 10.7514 7.04913 10.6978 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.06919 8.70622 4.57622 11.1891 7.01126 5.60528 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 7.06919 8.70622 4.57622 5.28649 6.58434 5.5995 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 8.22583 5.87853 11.2039 5.80934 5.49808 10.8083 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 6.62037 8.83185 8.93991 5.27973 5.49808 12.1214 numMergedOcc 0
11 mol 181 unq 2 iso 0 dist 6.21461 8.83185 5.35588 5.27973 7.96291 12.1214 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 9.06161 6.77983 8.68853 10.5008 8.76185 14.8296 numMergedOcc 0
13 mol 193 unq 1 iso 0 dist 9.06161 7.06538 5.97706 10.5008 8.76185 8.43187 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 7.21089 8.00354 6.16433 9.53753 5.13453 8.20162 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 7.21089 8.00354 6.16433 6.64709 7.95883 11.2163 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 7.79898 9.22128 13.128 12.3715 9.31673 19.7823 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.2456 9.61914 5.91881 5.79235 7.94894 5.0804 numMergedOcc 0
18 mol 255 unq 0 iso 0 dist 7.60846 8.33795 5.50177 5.94208 6.6475 10.7004 numMergedOcc 0
