0 mol 30 unq 0 iso 0 dist 8.64082 3.65941 5.36413 11.6968 6.47666 9.30604 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.75667 8.8955 8.03914 11.4838 11.4038 9.04174 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.47957 7.32542 9.07681 9.4046 5.60823 5.9443 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 9.47957 7.32542 9.07681 14.9736 9.68549 9.24666 numMergedOcc 0
4 mol 88 unq 2 iso 0 dist 9.4046 7.32542 5.9443 9.47957 5.60823 9.07681 numMergedOcc 0
5 mol 88 unq 3 iso 0 dist 9.4046 7.32542 5.9443 14.9736 6.01921 9.24666 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 6.46069 6.42713 5.60118 13.1291 6.97715 9.91024 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.2167 3.74723 6.39945 6.67306 7.15643 7.14258 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.67306 3.74723 7.14258 9.2167 7.15643 6.39945 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 9.22427 13.5761 8.3656 18.7045 10.9577 9.93912 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 7.252 3.81315 7.578 10.957 13.9864 9.24926 numMergedOcc 0
11 mol 217 unq 0 iso 0 dist 5.89788 3.59923 5.27487 9.76082 10.6606 8.46235 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 6.56262 11.2863 9.00657 13.7766 7.82254 7.87591 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 8.38742 5.99784 7.87591 12.6588 7.82254 9.00657 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 9.21743 8.76492 7.89247 6.06284 5.61236 8.42464 numMergedOcc 0
15 mol 244 unq 1 iso 0 dist 6.06284 8.76492 8.42464 9.21743 5.61236 7.89247 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 9.02271 9.80762 5.81865 17.4016 11.0128 8.25457 numMergedOcc 0
17 mol 269 unq 0 iso 0 dist 7.97206 12.7945 7.92043 14.1859 6.37992 9.71909 numMergedOcc 0
18 mol 269 unq 1 iso 0 dist 7.1068 3.70752 7.92043 11.2402 6.37992 9.71909 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 7.90132 5.14231 9.4181 8.8375 11.6786 5.05882 numMergedOcc 0
