0 mol 7 unq 0 iso 0 dist 8.05125 7.15434 9.17482 8.7997 6.26619 11.8176 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.0346 9.00543 9.81889 5.0723 8.07619 13.3645 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.46741 9.85665 5.03302 6.28596 5.96987 5.40582 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.0757 8.40931 3.73188 9.10389 6.43837 8.7361 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.85356 8.16299 11.6012 11.9879 8.31425 14.5418 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 7.11476 9.3485 4.59715 8.67739 9.32983 13.5147 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 6.45169 9.33945 7.47571 4.71928 6.27699 11.8514 numMergedOcc 0
7 mol 172 unq 0 iso 0 dist 8.56457 9.15928 6.66731 7.00723 8.43951 5.44495 numMergedOcc 0
8 mol 172 unq 1 iso 0 dist 7.44084 7.34586 5.79462 7.84368 8.43951 12.1682 numMergedOcc 0
9 mol 172 unq 2 iso 0 dist 5.28889 9.54849 10.0276 10.7644 8.43951 17.8291 numMergedOcc 0
10 mol 172 unq 3 iso 0 dist 5.28889 5.5139 5.79462 10.7644 8.43951 12.1682 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 7.99609 8.7419 4.81992 6.30607 9.602 11.5265 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 7.99609 8.5834 9.69122 6.30607 9.602 14.1413 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 4.35015 9.93547 8.6771 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 5.77828 8.96639 10.5857 4.35015 9.93547 9.58767 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 8.00841 8.98668 12.7003 9.5511 9.96797 7.73213 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 4.91772 6.41821 4.90903 4.93284 5.63485 5.82903 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 5.73448 9.88373 5.36693 5.12074 8.73899 13.8937 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 5.54217 9.64575 4.97852 4.56387 9.63352 13.77 numMergedOcc 0
19 mol 276 unq 1 iso 0 dist 5.54217 9.64575 4.97852 5.9082 6.77017 10.6596 numMergedOcc 0
20 mol 276 unq 2 iso 0 dist 7.01597 8.54938 5.49958 10.8127 8.12227 13.5812 numMergedOcc 0
