0 mol 12 unq 0 iso 0 dist 4.85969 6.13614 8.99098 4.46781 7.8865 8.37383 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.12062 6.00825 5.68877 7.16404 7.10899 4.30086 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 8.19347 4.26938 7.88321 5.73028 5.73067 6.31521 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.48746 10.0706 7.49861 7.70414 8.99491 11.6779 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 6.48746 5.05714 6.2165 7.70414 8.99491 10.1207 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 7.4738 13.9893 9.74232 8.7733 8.01677 6.59161 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 5.67586 8.1325 8.5081 4.97206 7.26897 10.7202 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 6.46871 12.0398 9.9855 7.11247 8.1088 8.01577 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 6.22466 12.2795 8.52322 8.63909 8.96988 6.94867 numMergedOcc 0
9 mol 229 unq 0 iso 0 dist 4.38586 5.55716 9.33775 6.81165 8.6537 10.8091 numMergedOcc 0
10 mol 229 unq 1 iso 0 dist 4.38586 5.55716 9.33775 5.33253 8.75374 7.3983 numMergedOcc 0
11 mol 229 unq 2 iso 0 dist 4.38586 5.55716 9.33775 5.23042 7.10634 5.87361 numMergedOcc 0
12 mol 229 unq 3 iso 0 dist 4.38586 5.55716 9.33775 6.21905 5.57702 10.9466 numMergedOcc 0
13 mol 229 unq 4 iso 0 dist 9.40399 12.3748 9.33775 13.4159 8.6537 10.8091 numMergedOcc 0
14 mol 229 unq 5 iso 0 dist 9.40399 12.3748 9.33775 10.5998 8.75374 7.3983 numMergedOcc 0
15 mol 229 unq 6 iso 0 dist 9.40399 12.3748 9.33775 6.51215 7.10634 5.87361 numMergedOcc 0
16 mol 229 unq 7 iso 0 dist 9.40399 12.3748 9.33775 6.91804 5.57702 10.9466 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 9.48967 16.3696 8.52954 6.70342 7.08539 12.2063 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 6.43002 11.7071 8.52954 6.01036 7.08539 12.2063 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 5.66945 4.51587 7.30582 5.3674 8.40773 9.64766 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 7.5977 9.42207 9.27027 5.43925 6.36911 8.6219 numMergedOcc 0
21 mol 257 unq 1 iso 0 dist 7.5977 9.42207 9.27027 10.056 7.82899 6.64096 numMergedOcc 0
22 mol 271 unq 0 iso 0 dist 9.27556 5.22029 8.54162 6.00331 9.56149 5.31774 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 7.60019 4.99483 7.40069 5.0721 7.53641 9.38462 numMergedOcc 0
