0 mol 32 unq 0 iso 0 dist 7.12013 6.19304 8.43877 4.37718 8.96415 8.91744 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 8.89682 6.67704 10.4533 4.88331 8.96415 10.9537 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 7.38082 7.78346 7.6174 4.91565 9.92196 9.04819 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.87856 6.04768 11.3708 6.14241 7.59354 4.96613 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.37708 7.03339 4.6963 6.25175 9.45513 10.2116 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.07096 8.05937 6.4025 4.92027 8.09095 6.13508 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 9.29439 9.21645 5.8134 5.94065 9.22776 5.58734 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 10.0626 6.00391 13.0056 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 8.26291 6.87196 7.91054 8.28869 9.70695 5.96506 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 6.47989 8.32841 5.46268 4.67196 9.71839 12.1859 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 6.47989 6.00295 4.78734 4.67196 9.71839 8.60394 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 9.04176 6.40435 5.0315 4.87536 8.24004 6.22667 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.58709 7.58118 4.39102 9.98645 9.58724 12.6669 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 4.3362 9.75868 11.317 9.61081 9.58724 15.2797 numMergedOcc 0
14 mol 256 unq 0 iso 0 dist 8.11884 9.31961 6.82173 5.07886 9.7777 12.8862 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 8.18179 7.61501 14.2071 10.7449 9.77593 15.5969 numMergedOcc 0
16 mol 279 unq 1 iso 0 dist 8.18179 7.61501 14.2071 7.26242 8.85972 14.4858 numMergedOcc 0
