0 mol 69 unq 0 iso 0 dist 5.77278 4.8416 9.37094 12.955 16.9712 8.24121 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.15006 8.69179 6.09906 12.1456 6.67981 5.49623 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.64939 9.86989 6.56728 18.1038 13.7516 9.22376 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 5.72842 9.54828 8.96916 14.0992 9.16553 9.57498 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.98702 5.29965 6.55511 5.2929 9.50302 8.35604 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 8.98702 5.29965 6.55511 6.17589 6.0336 7.83568 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.51581 5.56707 9.79004 8.70916 8.86818 7.15203 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 9.68237 10.553 7.83582 15.5419 7.32877 8.36882 numMergedOcc 0
8 mol 140 unq 1 iso 0 dist 9.68237 4.84803 9.89896 10.9185 5.90456 8.28732 numMergedOcc 0
9 mol 140 unq 2 iso 0 dist 9.68237 8.69462 9.68229 15.9807 12.2179 9.41832 numMergedOcc 0
10 mol 144 unq 0 iso 0 dist 9.17163 13.0525 9.81485 13.8446 7.33969 8.11591 numMergedOcc 0
11 mol 159 unq 0 iso 0 dist 9.8634 17.7667 9.21254 25.5431 16.0092 8.55431 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 9.15274 4.7924 8.46796 13.7826 13.5359 9.42819 numMergedOcc 0
13 mol 212 unq 0 iso 0 dist 9.52641 10.1617 9.47932 12.5956 4.78007 7.87125 numMergedOcc 0
14 mol 272 unq 0 iso 0 dist 8.1095 6.52684 7.31993 10.6172 11.1133 6.62923 numMergedOcc 0
