0 mol 25 unq 0 iso 0 dist 9.86224 16.5113 6.85556 13.6714 6.29797 5.86705 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 5.67362 5.46309 9.25641 9.14684 8.60069 8.89519 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 9.87414 6.21391 8.39111 14.148 9.13187 8.75437 numMergedOcc 0
3 mol 96 unq 1 iso 0 dist 8.9536 4.86104 8.39111 12.3162 9.13187 8.75437 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.21645 11.6494 8.00003 5.02595 6.18678 9.85023 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 8.50938 5.32859 6.46704 11.1674 9.06571 6.28125 numMergedOcc 0
6 mol 181 unq 1 iso 0 dist 8.50938 5.32859 6.46704 10.3533 7.35884 6.50233 numMergedOcc 0
7 mol 181 unq 2 iso 0 dist 5.25309 7.07865 5.94469 4.9387 8.06308 5.42158 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 6.65725 7.25468 6.42735 9.35176 7.81263 4.08775 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 9.819 15.6354 8.65535 11.023 4.19371 10.0756 numMergedOcc 0
10 mol 194 unq 1 iso 0 dist 9.819 15.6354 8.65535 12.3736 9.71015 16.4082 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 6.62013 7.24163 7.32294 12.1769 9.48625 5.57347 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 6.65275 5.841 5.41321 9.92572 8.91971 5.0317 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 9.90065 9.69354 7.43071 12.598 9.18728 5.0317 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 9.90065 7.00512 6.02296 12.598 9.18728 5.83175 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 5.60146 8.82711 5.50492 4.69103 6.53416 6.1597 numMergedOcc 0
16 mol 244 unq 1 iso 0 dist 9.80249 14.6599 5.50492 14.2772 6.53416 6.1597 numMergedOcc 0
