0 mol 13 unq 0 iso 0 dist 6.6621 5.83624 3.53348 13.4043 7.97656 11.3637 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.93406 9.1791 12.0516 7.71984 7.84983 13.813 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.93406 9.1791 12.0516 4.67517 9.56737 11.2189 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.93406 6.86485 5.04521 7.71984 7.84983 9.22598 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 7.93406 6.86485 5.04521 4.67517 9.56737 8.96727 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 7.93406 8.37546 10.2341 7.71984 7.84983 9.55996 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 7.93406 8.37546 10.2341 4.67517 9.56737 8.01308 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.00221 8.12626 9.98074 4.23724 6.6003 11.38 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 8.00221 8.12626 9.98074 9.75948 6.44118 15.2928 numMergedOcc 0
9 mol 89 unq 0 iso 0 dist 8.45308 9.55954 8.81506 4.4691 9.58625 13.0722 numMergedOcc 0
10 mol 89 unq 1 iso 0 dist 8.45308 9.55954 8.81506 8.3977 6.36021 12.3442 numMergedOcc 0
11 mol 89 unq 2 iso 0 dist 8.45308 7.06277 3.30729 4.4691 9.58625 8.40422 numMergedOcc 0
12 mol 89 unq 3 iso 0 dist 8.45308 7.06277 3.30729 8.3977 6.36021 5.51831 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 5.38954 5.20001 6.66127 5.17524 7.70533 6.10127 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 7.79845 9.15119 7.21958 10.5943 7.70349 14.6929 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 5.95885 9.45781 6.12844 11.6817 8.0974 9.79683 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 9.65375 8.22129 11.433 17.1285 8.68464 15.6923 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 7.82276 6.66615 8.41904 4.53426 7.22789 5.90058 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 7.71392 8.26112 9.6326 9.07177 9.70907 15.3729 numMergedOcc 0
19 mol 294 unq 1 iso 0 dist 7.6859 8.26112 11.4903 9.07177 6.47832 15.3729 numMergedOcc 0
