0 mol 11 unq 0 iso 0 dist 5.08801 9.5896 5.08965 8.12184 6.08445 8.53942 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.73484 9.4759 4.03021 9.63181 11.4812 12.1337 numMergedOcc 0
2 mol 66 unq 0 iso 0 dist 6.90306 7.1612 10.4605 5.75397 4.77174 6.97546 numMergedOcc 0
3 mol 66 unq 1 iso 0 dist 6.90306 7.1612 10.4605 9.11975 7.15484 6.70072 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.81202 9.52282 6.19687 8.22984 5.22561 10.0156 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 5.09936 5.72494 6.35861 9.61913 12.2478 6.12629 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 5.09936 8.70106 5.56761 9.61913 12.2478 12.2951 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 6.65267 4.81596 8.53187 8.6317 12.3669 6.22139 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 6.55342 4.81596 6.65567 8.6317 7.21828 6.22139 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 4.31989 8.29174 5.10341 9.62783 8.10288 5.2832 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 5.78397 6.6514 10.8251 7.93807 10.2539 7.33075 numMergedOcc 0
11 mol 167 unq 1 iso 0 dist 5.36359 6.6514 4.72853 7.93807 10.4145 7.33075 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 9.86758 9.88342 6.25222 9.63679 6.96288 5.58658 numMergedOcc 0
13 mol 276 unq 0 iso 0 dist 8.02433 8.0652 4.13053 8.74282 10.0818 7.57645 numMergedOcc 0
14 mol 284 unq 0 iso 0 dist 9.40824 5.62295 10.8528 5.61727 10.747 6.50962 numMergedOcc 0
15 mol 284 unq 1 iso 0 dist 6.1324 5.62295 5.8173 5.61727 7.95816 6.50962 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.39418 9.11602 9.16384 8.82948 12.4113 15.3271 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.39418 9.11602 9.16384 8.82948 12.4113 15.3271 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.39418 9.11602 9.16384 8.82948 12.4113 15.3271 numMergedOcc 0
