0 mol 17 unq 0 iso 0 dist 9.2031 5.72584 7.35858 9.73571 9.26171 4.98975 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.2031 5.72584 7.35858 6.6967 8.70761 3.83485 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.88078 13.1319 7.55864 9.00405 8.65986 7.10314 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.88078 13.1319 7.55864 7.86889 9.39462 7.32361 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 7.53599 13.1319 9.33568 9.00405 9.74724 7.10314 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 7.53599 13.1319 9.33568 7.86889 9.13347 7.32361 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.94809 10.7844 9.23087 10.2302 8.32093 5.37935 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.58689 6.14753 5.98626 3.93024 8.87977 3.88626 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.82214 6.14753 7.54915 3.93024 9.43843 3.88626 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 7.82214 6.14753 7.54915 14.3352 7.67463 14.8283 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 9.06878 5.86756 4.32161 13.2915 5.16779 8.70456 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 9.76075 11.5209 7.22098 6.87591 7.24101 4.88926 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 5.7306 13.588 9.58365 15.1721 9.82522 10.9251 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 5.7306 13.588 9.58365 11.1637 8.50773 13.3896 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 6.18166 13.2776 8.8252 5.15513 9.10527 17.4703 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 9.1579 13.5193 5.71819 12.4707 7.51798 4.22218 numMergedOcc 0
16 mol 206 unq 1 iso 0 dist 9.1579 10.3181 8.48679 12.4707 7.51798 3.57449 numMergedOcc 0
17 mol 206 unq 2 iso 0 dist 9.1579 5.85716 9.86924 12.4707 7.51798 13.0094 numMergedOcc 0
18 mol 206 unq 3 iso 0 dist 9.1579 8.09615 7.44186 12.4707 7.51798 13.6373 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 8.57319 6.7582 7.01604 5.14513 9.04156 4.90493 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 6.02774 14.401 8.45077 13.5711 7.8605 3.97296 numMergedOcc 0
