0 mol 8 unq 0 iso 0 dist 6.96907 9.08552 7.38068 9.06375 11.3046 8.83742 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 4.80247 5.91948 4.67834 7.79856 7.03635 5.07125 numMergedOcc 0
2 mol 154 unq 0 iso 0 dist 4.62366 6.91511 4.65363 11.3267 10.1277 7.97022 numMergedOcc 0
3 mol 162 unq 0 iso 0 dist 7.08934 8.0852 8.69327 10.3457 13.5172 8.99227 numMergedOcc 0
4 mol 162 unq 1 iso 0 dist 7.08934 8.0852 8.69327 9.57283 9.27256 7.86766 numMergedOcc 0
5 mol 162 unq 2 iso 0 dist 7.08934 8.0852 8.69327 14.1212 16.482 9.3867 numMergedOcc 0
6 mol 162 unq 3 iso 0 dist 8.87346 8.0852 7.61345 10.3457 15.2424 8.99227 numMergedOcc 0
7 mol 162 unq 4 iso 0 dist 8.87346 8.0852 7.61345 9.57283 11.8101 7.86766 numMergedOcc 0
8 mol 162 unq 5 iso 0 dist 8.87346 8.0852 7.61345 14.1212 16.8187 9.3867 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 4.59484 8.09699 5.35456 5.07688 5.14185 8.999 numMergedOcc 0
10 mol 212 unq 0 iso 0 dist 7.98724 8.43638 7.52135 3.85144 4.72269 5.50658 numMergedOcc 0
11 mol 212 unq 1 iso 0 dist 7.98724 8.43638 7.52135 16.5485 16.003 9.10095 numMergedOcc 0
12 mol 212 unq 2 iso 0 dist 7.98724 8.43638 7.52135 17.3092 13.7185 9.22129 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 5.07376 5.88041 4.67513 12.0413 12.9866 8.54702 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 7.30003 6.50932 3.89748 9.73995 12.8093 9.11454 numMergedOcc 0
15 mol 247 unq 0 iso 0 dist 8.64941 5.52484 3.42642 9.45861 11.452 9.92277 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 8.13605 8.29663 4.58993 5.79677 7.30709 9.50634 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 7.27155 7.05095 4.77242 10.1582 11.6483 7.14086 numMergedOcc 0
18 mol 270 unq 0 iso 0 dist 6.32507 8.75041 8.39953 9.20951 13.3321 8.49032 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 5.54217 9.53331 5.97699 13.2159 10.7259 7.49391 numMergedOcc 0
