0 mol 16 unq 0 iso 0 dist 5.36911 6.05535 6.72833 9.24115 5.11248 8.59049 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.3964 9.85198 8.60554 13.7014 13.4836 8.20058 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.07294 8.85978 8.51663 13.0069 8.06801 8.52313 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.31426 5.60777 5.37007 9.46036 5.47738 5.90776 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.56978 13.2001 7.80975 12.5047 6.21679 8.22596 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 7.00113 6.06241 7.73435 9.67137 6.46489 6.03557 numMergedOcc 0
6 mol 125 unq 1 iso 0 dist 9.85979 6.06241 9.3778 9.67137 8.27647 6.03557 numMergedOcc 0
7 mol 125 unq 2 iso 0 dist 9.85979 13.5623 7.47069 16.287 7.74181 7.76202 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 8.07946 5.23723 8.647 8.36163 4.29509 8.59098 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 6.4751 10.4021 8.24693 10.8352 8.99392 7.13441 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 5.75085 10.4021 6.71356 10.8352 5.68701 7.13441 numMergedOcc 0
11 mol 174 unq 0 iso 0 dist 5.07761 12.6579 9.87122 17.5192 13.6211 6.04817 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 9.25935 5.34788 9.26504 11.6261 11.3703 8.3705 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 8.27761 10.1991 8.50102 10.8787 7.46856 8.89211 numMergedOcc 0
14 mol 232 unq 1 iso 0 dist 9.25162 16.9877 9.05071 12.4538 4.95971 9.95045 numMergedOcc 0
15 mol 240 unq 0 iso 0 dist 8.89428 6.24198 6.68687 12.0145 5.24149 9.68888 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 9.73172 4.7203 8.00673 9.70353 4.36832 8.83775 numMergedOcc 0
17 mol 278 unq 1 iso 0 dist 9.73172 6.42903 6.62841 9.70353 4.36832 7.58272 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 7.66302 11.8697 7.23721 12.0846 4.99186 5.70546 numMergedOcc 0
