0 mol 1 unq 0 iso 0 dist 9.40282 8.93702 5.11735 11.8064 11.3766 9.44115 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.40282 8.93702 5.11735 4.61559 6.4181 7.90928 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.35554 8.93702 9.01967 11.8064 12.6791 9.44115 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 9.35554 8.93702 9.01967 4.61559 12.2079 7.90928 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.90473 7.12852 4.74747 6.24786 9.94775 7.7868 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.27156 4.89196 5.49555 8.33049 8.1599 8.84323 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.25901 6.88603 9.06747 4.5896 12.9467 9.16721 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 7.96299 6.88603 9.85676 4.5896 7.75811 9.16721 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.96446 6.97484 12.1976 8.99211 17.3351 7.00606 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 6.70686 6.97484 10.944 8.99211 15.3509 7.00606 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.07365 6.47401 8.73564 5.73392 12.146 6.64631 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 7.2443 8.94447 8.69934 12.8097 13.7855 5.44714 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 6.44195 5.81632 5.83431 5.32921 9.93555 8.46844 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 7.34207 5.81632 6.53652 5.32921 11.7242 8.46844 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 7.9895 9.4422 6.06723 4.88159 10.5599 9.19849 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 6.53913 9.4422 6.58937 4.88159 5.59806 9.19849 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 9.38169 9.25105 6.62321 10.2744 9.36086 8.26654 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 6.18446 6.58245 5.2908 11.5081 13.2177 8.32685 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 6.18446 6.58245 5.2908 11.8158 10.9337 6.74777 numMergedOcc 0
19 mol 197 unq 2 iso 0 dist 6.18446 6.58245 5.2908 14.0335 12.045 9.62514 numMergedOcc 0
20 mol 197 unq 3 iso 0 dist 9.96544 6.58245 6.23998 11.5081 14.164 8.32685 numMergedOcc 0
21 mol 197 unq 4 iso 0 dist 9.96544 6.58245 6.23998 11.8158 11.7581 6.74777 numMergedOcc 0
22 mol 197 unq 5 iso 0 dist 9.96544 6.58245 6.23998 14.0335 13.6474 9.62514 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.25882 6.37411 12.1001 5.82036 13.921 7.31632 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 5.82039 8.65687 4.8585 8.60571 9.78438 9.91294 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 6.22964 8.65687 5.94313 8.60571 10.1863 9.91294 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 9.79816 5.66171 7.47048 4.98567 13.162 7.90156 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 6.48196 7.99897 8.96098 10.5268 14.1896 7.83363 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.45574 6.43838 10.6981 13.9461 14.8362 9.74324 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 9.07206 5.50677 14.073 10.8606 19.6315 8.44015 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 9.07206 8.75957 16.8934 10.8606 19.6315 6.21206 numMergedOcc 0
