0 mol 10 unq 0 iso 0 dist 9.31452 5.94361 5.99743 8.44864 5.16967 5.59965 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.6082 4.71264 6.67704 11.3939 5.31805 8.5315 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 4.09276 4.71264 6.67079 11.3939 9.70906 8.5315 numMergedOcc 0
3 mol 32 unq 2 iso 0 dist 7.65602 5.98304 6.19304 12.0229 6.44044 8.5315 numMergedOcc 0
4 mol 32 unq 3 iso 0 dist 9.24687 8.5755 6.67704 10.8692 5.31805 8.5315 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.41011 10.0797 5.81645 10.95 5.51351 7.48846 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.04354 12.2182 9.20373 19.1377 17.3249 9.17082 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.40355 5.53482 4.73362 10.9467 4.72225 8.95905 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 9.96175 4.32712 9.09041 8.17655 12.4018 8.03296 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 9.96175 4.32712 9.09041 6.47416 5.71329 5.82754 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 9.96175 4.32712 9.09041 11.8429 10.427 8.87742 numMergedOcc 0
11 mol 79 unq 3 iso 0 dist 6.96066 4.22631 4.3247 10.9265 5.74017 6.78004 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.28161 4.00884 6.48163 9.95946 5.60494 6.77241 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 7.28161 4.00884 6.48163 6.37888 4.76916 5.50508 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 4.98783 4.1125 6.48163 5.62309 5.60494 6.77241 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 4.98783 4.1125 6.48163 7.11438 4.76916 5.50508 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 8.04448 17.0849 9.40173 12.3507 7.22196 7.14031 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 9.28645 6.62328 7.03339 5.42828 5.54999 7.80873 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.27253 4.09788 8.05937 8.75431 7.21894 7.20249 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 9.13184 6.11369 8.32841 12.0791 5.309 8.21184 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 9.13184 6.11369 8.32841 8.64741 6.07262 5.9976 numMergedOcc 0
21 mol 156 unq 2 iso 0 dist 9.13184 8.26792 6.00295 12.0791 5.309 5.41575 numMergedOcc 0
22 mol 156 unq 3 iso 0 dist 9.13184 8.26792 6.00295 8.64741 6.07262 6.86566 numMergedOcc 0
23 mol 156 unq 4 iso 0 dist 7.27593 6.11369 6.56065 12.0791 11.9245 8.21184 numMergedOcc 0
24 mol 156 unq 5 iso 0 dist 7.27593 6.11369 6.56065 8.64741 6.25291 5.9976 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 9.14877 6.78739 5.25309 14.0612 5.1007 9.92471 numMergedOcc 0
26 mol 244 unq 0 iso 0 dist 9.16789 9.01951 5.60146 15.1895 6.44798 7.95359 numMergedOcc 0
27 mol 244 unq 1 iso 0 dist 9.16789 9.01951 5.60146 14.1721 11.4169 6.22122 numMergedOcc 0
28 mol 244 unq 2 iso 0 dist 8.19381 4.38246 5.60146 8.57917 6.44798 7.95359 numMergedOcc 0
29 mol 244 unq 3 iso 0 dist 8.19381 4.38246 5.60146 5.79898 11.4169 6.22122 numMergedOcc 0
30 mol 244 unq 4 iso 0 dist 7.35657 4.38246 9.80249 8.57917 13.543 7.95359 numMergedOcc 0
31 mol 244 unq 5 iso 0 dist 7.35657 4.38246 9.80249 5.79898 12.7037 6.22122 numMergedOcc 0
32 mol 256 unq 0 iso 0 dist 8.88264 12.1216 9.31961 17.2263 11.1373 6.37963 numMergedOcc 0
33 mol 256 unq 1 iso 0 dist 8.88264 12.1216 9.31961 16.2608 12.3321 6.00636 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 9.83374 14.6007 8.16005 13.6013 5.63899 7.16346 numMergedOcc 0
35 mol 273 unq 1 iso 0 dist 5.75335 7.55971 8.16005 6.38341 5.63899 7.16346 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 7.91992 4.60075 7.88238 10.1675 13.008 8.20644 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 9.86767 11.3062 8.18174 16.1891 7.37725 8.25485 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 7.40069 9.58852 9.55425 14.8292 11.7492 8.25485 numMergedOcc 0
