0 mol 10 unq 0 iso 0 dist 6.88548 7.45552 5.06897 15.3955 11.4623 9.96463 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.2612 11.9212 9.46609 14.6045 8.56519 9.125 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.8717 6.87212 9.69215 12.7078 18.6875 9.18109 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 9.08064 9.8421 6.0733 11.5645 5.45144 9.63488 numMergedOcc 0
4 mol 163 unq 0 iso 0 dist 8.74174 9.10578 9.3832 12.1633 13.5919 9.48142 numMergedOcc 0
5 mol 214 unq 0 iso 0 dist 6.87058 5.98033 6.70176 9.04278 4.61443 9.34989 numMergedOcc 0
6 mol 214 unq 1 iso 0 dist 6.87058 5.37948 4.94811 9.04278 4.61443 9.08095 numMergedOcc 0
7 mol 252 unq 0 iso 0 dist 8.62351 14.0369 9.81593 15.8148 13.368 8.63848 numMergedOcc 0
8 mol 252 unq 1 iso 0 dist 9.44744 7.47327 5.22349 14.135 5.48898 8.63848 numMergedOcc 0
9 mol 252 unq 2 iso 0 dist 6.94319 7.47327 9.81593 14.135 13.368 8.63848 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 8.43941 5.17102 8.15795 13.3029 12.4299 8.51287 numMergedOcc 0
11 mol 266 unq 0 iso 0 dist 8.39358 5.29294 6.64472 8.95453 6.20504 3.90274 numMergedOcc 0
12 mol 266 unq 1 iso 0 dist 8.39358 5.29294 6.64472 5.59326 5.10413 7.49024 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 7.95244 6.59723 7.71972 11.2274 12.4582 8.26851 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 7.95244 6.59723 7.71972 12.41 10.2262 8.14634 numMergedOcc 0
15 mol 274 unq 2 iso 0 dist 5.57832 6.59723 9.76049 11.2274 11.0889 8.26851 numMergedOcc 0
16 mol 274 unq 3 iso 0 dist 5.57832 6.59723 9.76049 12.41 11.8055 8.14634 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 9.79154 4.91435 9.60904 11.6989 7.72591 8.34389 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 9.79154 4.91435 9.60904 11.6989 7.72591 8.34389 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 9.79154 4.91435 9.60904 11.6989 7.72591 8.34389 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 5.78275 14.2497 9.2542 9.91042 6.17439 8.82869 numMergedOcc 0
