0 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 13.4756 8.43188 7.685 5.97432 7.63409 5.81959 9.96732 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.63928 6.17631 6.03987 13.4756 10.3635 7.685 5.97432 8.4666 5.81959 9.96732 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.1125 11.887 9.16962 17.8374 10.6756 5.69955 4.80984 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 9.97117 7.23546 6.73162 13.1078 13.2876 8.44506 8.13684 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 9.61766 4.71384 7.06308 6.15568 5.73693 6.06454 5.94047 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 7.19021 9.0702 7.2846 9.61766 4.71384 6.34173 6.15568 5.73693 9.44459 5.94047 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 14.6315 11.6116 9.47876 11.4371 5.08358 7.1589 12.5072 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 15.8125 11.3902 8.66155 11.9843 5.61704 5.72642 5.87507 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 14.0848 11.7126 6.99777 11.1443 7.21418 5.74857 6.03931 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 9.26862 4.62962 9.14376 11.1443 7.21418 5.74857 5.99374 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 4.98864 10.9437 7.88312 9.44544 4.61908 8.66155 11.2871 7.3094 5.72642 5.87507 numMergedOcc 0
11 mol 115 unq 4 iso 0 dist 7.95871 12.0354 7.88312 12.2966 4.61908 8.66155 14.361 7.3094 5.72642 5.87507 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 9.15988 3.78311 7.77116 8.96522 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 6.31125 4.29914 7.12972 9.90096 6.19596 8.6243 10.1423 5.89022 8.71039 8.15392 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 6.31125 4.29914 7.12972 9.90096 6.19596 8.6243 10.5132 9.32969 6.92648 6.01893 numMergedOcc 0
15 mol 131 unq 2 iso 0 dist 6.31125 5.59449 6.85062 9.90096 6.19596 6.91348 10.5132 9.32969 9.29384 6.01893 numMergedOcc 0
16 mol 131 unq 3 iso 0 dist 6.31125 5.59449 6.85062 10.3644 6.6499 9.51418 10.5132 9.32969 9.29384 15.1974 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 18.2547 12.9587 8.38865 5.92529 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 10.3034 11.3552 5.34718 16.2625 9.05842 8.50331 11.6774 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 5.66569 4.15973 6.27581 6.98151 6.04825 5.34718 8.38439 7.00028 8.50331 11.6774 numMergedOcc 0
20 mol 236 unq 2 iso 0 dist 6.11137 9.01197 6.27581 9.91572 6.04825 5.34718 9.30828 7.00028 8.50331 11.6774 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 12.9182 13.069 9.29858 16.6013 12.3808 7.32982 6.48619 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 9.77231 13.069 9.29858 13.3717 12.3808 7.32982 6.48619 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.2583 13.069 9.29858 10.8216 12.3808 7.32982 6.48619 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 10.5745 4.99891 6.77938 9.30428 7.31951 8.59697 12.1218 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 9.12507 5.59901 5.30224 8.46351 5.32839 7.76676 9.30428 7.31951 8.59697 9.22203 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 11.6311 6.64985 7.67853 12.6659 6.59863 9.05222 6.3139 numMergedOcc 0
