$Number_of_Clusters = 33 $Seed = -1985 $Leader_Info 1 { Num_Members = 34 Total_Energy = 73.801 vdW = -30.422 Coulomb = -34.021 Internal = 138.244 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 38 Total_Energy = 77.373 vdW = -28.139 Coulomb = -38.321 Internal = 143.833 rmsd = 3.089 } $Leader_Info 3 { Num_Members = 29 Total_Energy = 80.290 vdW = -27.269 Coulomb = -28.861 Internal = 136.420 rmsd = 1.267 } $Leader_Info 4 { Num_Members = 53 Total_Energy = 82.353 vdW = -26.330 Coulomb = -34.884 Internal = 143.566 rmsd = 2.783 } $Leader_Info 5 { Num_Members = 22 Total_Energy = 85.062 vdW = -25.405 Coulomb = -32.223 Internal = 142.691 rmsd = 1.011 } $Leader_Info 6 { Num_Members = 46 Total_Energy = 85.768 vdW = -26.837 Coulomb = -36.136 Internal = 148.741 rmsd = 1.908 } $Leader_Info 7 { Num_Members = 44 Total_Energy = 86.676 vdW = -20.321 Coulomb = -37.641 Internal = 144.639 rmsd = 2.721 } $Leader_Info 8 { Num_Members = 52 Total_Energy = 87.874 vdW = -23.457 Coulomb = -31.588 Internal = 142.918 rmsd = 2.932 } $Leader_Info 9 { Num_Members = 32 Total_Energy = 88.178 vdW = -24.769 Coulomb = -35.640 Internal = 148.587 rmsd = 2.062 } $Leader_Info 10 { Num_Members = 32 Total_Energy = 91.824 vdW = -24.922 Coulomb = -27.526 Internal = 144.272 rmsd = 1.323 } $Leader_Info 11 { Num_Members = 31 Total_Energy = 93.781 vdW = -21.252 Coulomb = -33.555 Internal = 148.588 rmsd = 2.810 } $Leader_Info 12 { Num_Members = 43 Total_Energy = 94.528 vdW = -16.568 Coulomb = -36.851 Internal = 147.947 rmsd = 3.274 } $Leader_Info 13 { Num_Members = 29 Total_Energy = 95.664 vdW = -18.632 Coulomb = -35.227 Internal = 149.524 rmsd = 3.257 } $Leader_Info 14 { Num_Members = 21 Total_Energy = 96.115 vdW = -14.179 Coulomb = -34.286 Internal = 144.581 rmsd = 2.343 } $Leader_Info 15 { Num_Members = 35 Total_Energy = 97.874 vdW = -16.636 Coulomb = -29.828 Internal = 144.338 rmsd = 1.028 } $Leader_Info 16 { Num_Members = 46 Total_Energy = 98.648 vdW = -18.557 Coulomb = -28.219 Internal = 145.425 rmsd = 1.974 } $Leader_Info 17 { Num_Members = 16 Total_Energy = 102.056 vdW = -17.639 Coulomb = -23.661 Internal = 143.356 rmsd = 1.126 } $Leader_Info 18 { Num_Members = 34 Total_Energy = 102.719 vdW = -23.286 Coulomb = -29.189 Internal = 155.195 rmsd = 3.017 } $Leader_Info 19 { Num_Members = 41 Total_Energy = 104.158 vdW = -20.247 Coulomb = -25.001 Internal = 149.406 rmsd = 2.646 } $Leader_Info 20 { Num_Members = 24 Total_Energy = 105.568 vdW = -25.129 Coulomb = -11.675 Internal = 142.372 rmsd = 2.234 } $Leader_Info 21 { Num_Members = 2 Total_Energy = 105.941 vdW = -22.793 Coulomb = -21.392 Internal = 150.127 rmsd = 2.860 } $Leader_Info 22 { Num_Members = 6 Total_Energy = 106.815 vdW = -13.982 Coulomb = -28.165 Internal = 148.963 rmsd = 2.954 } $Leader_Info 23 { Num_Members = 21 Total_Energy = 108.499 vdW = -18.381 Coulomb = -15.768 Internal = 142.648 rmsd = 3.099 } $Leader_Info 24 { Num_Members = 28 Total_Energy = 109.802 vdW = -20.721 Coulomb = -28.803 Internal = 159.326 rmsd = 3.334 } $Leader_Info 25 { Num_Members = 1 Total_Energy = 111.221 vdW = -20.679 Coulomb = -21.866 Internal = 153.767 rmsd = 3.084 } $Leader_Info 26 { Num_Members = 7 Total_Energy = 113.274 vdW = -21.333 Coulomb = -31.269 Internal = 165.876 rmsd = 1.221 } $Leader_Info 27 { Num_Members = 52 Total_Energy = 113.372 vdW = -13.016 Coulomb = -31.722 Internal = 158.110 rmsd = 2.493 } $Leader_Info 28 { Num_Members = 44 Total_Energy = 115.137 vdW = -7.870 Coulomb = -27.762 Internal = 150.768 rmsd = 2.750 } $Leader_Info 29 { Num_Members = 34 Total_Energy = 115.325 vdW = -21.353 Coulomb = -10.687 Internal = 147.364 rmsd = 3.228 } $Leader_Info 30 { Num_Members = 32 Total_Energy = 116.173 vdW = -7.920 Coulomb = -28.770 Internal = 152.864 rmsd = 3.117 } $Leader_Info 31 { Num_Members = 25 Total_Energy = 116.835 vdW = -18.025 Coulomb = -26.976 Internal = 161.836 rmsd = 1.715 } $Leader_Info 32 { Num_Members = 27 Total_Energy = 117.194 vdW = -21.431 Coulomb = -12.885 Internal = 151.510 rmsd = 3.601 } $Leader_Info 33 { Num_Members = 19 Total_Energy = 117.483 vdW = -14.170 Coulomb = -25.333 Internal = 156.985 rmsd = 3.922 }