0 mol 88 unq 0 iso 0 dist 9.79535 4.90318 6.85867 5.62613 8.38946 7.88897 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 8.94991 5.85411 5.51406 11.7101 5.20129 7.93871 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 5.84583 7.65932 5.94696 8.71722 8.83961 9.22699 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 6.28645 5.95402 5.37302 13.0579 13.1071 8.23837 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 6.34149 5.87062 6.16862 11.5167 12.3638 6.48026 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.63279 5.87062 9.70325 11.5167 15.7287 6.48026 numMergedOcc 0
6 mol 146 unq 0 iso 0 dist 9.5348 4.50898 7.13378 5.52512 10.6394 8.34596 numMergedOcc 0
7 mol 157 unq 0 iso 0 dist 9.78227 5.58889 9.90795 11.5376 5.13778 9.58718 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 6.57161 6.08318 5.51388 13.445 13.1573 8.36806 numMergedOcc 0
9 mol 180 unq 0 iso 0 dist 8.65601 8.77427 9.54753 5.6266 3.92824 9.43939 numMergedOcc 0
10 mol 180 unq 1 iso 0 dist 6.33325 5.74154 9.54753 8.22907 3.92824 9.43939 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 6.17749 6.22277 9.32543 8.91181 7.03763 6.42875 numMergedOcc 0
12 mol 253 unq 0 iso 0 dist 7.77279 4.71534 9.34735 11.2152 14.3861 9.9453 numMergedOcc 0
13 mol 253 unq 1 iso 0 dist 7.77279 4.71534 9.34735 5.63295 4.92131 5.93986 numMergedOcc 0
