0 mol 20 unq 0 iso 0 dist 8.71628 6.81416 6.31611 5.06894 5.9809 8.25405 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.71628 6.81416 6.31611 9.95303 5.83917 10.5895 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 8.8533 4.80984 4.18634 5.84066 6.73167 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 5.73257 8.8717 8.15141 6.65242 8.63635 9.58596 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.85365 5.9819 9.06991 4.9759 8.91262 7.44041 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 6.85365 5.9819 9.06991 6.59976 6.12922 10.2176 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.94447 9.05365 16.7805 11.2557 5.29949 18.8316 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 4.95674 8.37793 7.68389 7.44092 8.55349 11.9059 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.98435 5.8367 8.05714 4.72407 6.44575 6.99345 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 5.98435 5.8367 8.05714 7.97297 7.43401 5.11043 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 8.80672 5.8367 13.6926 6.67639 5.73203 12.1815 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 8.80672 5.8367 13.6926 4.4987 6.57379 8.48313 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 8.64561 8.22643 5.15519 11.5968 9.74988 7.87972 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 7.99897 7.07507 11.0789 9.1334 8.24424 12.3936 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 7.99897 7.07507 11.0789 9.81222 7.0942 14.3003 numMergedOcc 0
15 mol 233 unq 2 iso 0 dist 7.99897 7.07507 11.0789 5.17683 6.01775 11.6407 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 9.50619 8.2776 5.32038 9.31424 5.7791 9.65775 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 6.27189 5.84259 4.61146 13.4399 8.84523 13.2273 numMergedOcc 0
18 mol 272 unq 1 iso 0 dist 6.27189 5.84259 4.61146 5.87335 6.95241 9.30437 numMergedOcc 0
19 mol 272 unq 2 iso 0 dist 6.27189 9.00781 6.3139 13.4399 8.84523 10.6235 numMergedOcc 0
20 mol 272 unq 3 iso 0 dist 6.27189 9.00781 6.3139 5.87335 6.95241 10.2298 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.70062 6.89742 9.62906 9.8719 8.59762 13.329 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.70062 6.89742 9.62906 9.8719 8.59762 13.329 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.70062 6.89742 9.62906 9.8719 8.59762 13.329 numMergedOcc 0
