$Number_of_Clusters = 31 $Seed = -1985 $Leader_Info 1 { Num_Members = 49 Total_Energy = 78.633 vdW = -25.941 Coulomb = -35.389 Internal = 139.963 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 46 Total_Energy = 80.866 vdW = -25.807 Coulomb = -36.211 Internal = 142.884 rmsd = 1.273 } $Leader_Info 3 { Num_Members = 52 Total_Energy = 84.698 vdW = -27.290 Coulomb = -32.509 Internal = 144.497 rmsd = 1.337 } $Leader_Info 4 { Num_Members = 47 Total_Energy = 92.083 vdW = -24.144 Coulomb = -36.909 Internal = 153.136 rmsd = 3.293 } $Leader_Info 5 { Num_Members = 42 Total_Energy = 92.353 vdW = -20.588 Coulomb = -35.265 Internal = 148.207 rmsd = 3.554 } $Leader_Info 6 { Num_Members = 60 Total_Energy = 92.757 vdW = -29.897 Coulomb = -31.085 Internal = 153.739 rmsd = 2.978 } $Leader_Info 7 { Num_Members = 45 Total_Energy = 92.773 vdW = -22.117 Coulomb = -35.012 Internal = 149.902 rmsd = 1.778 } $Leader_Info 8 { Num_Members = 39 Total_Energy = 94.205 vdW = -22.781 Coulomb = -30.772 Internal = 147.758 rmsd = 3.358 } $Leader_Info 9 { Num_Members = 27 Total_Energy = 95.356 vdW = -27.460 Coulomb = -36.251 Internal = 159.067 rmsd = 3.380 } $Leader_Info 10 { Num_Members = 40 Total_Energy = 96.051 vdW = -28.527 Coulomb = -24.282 Internal = 148.859 rmsd = 10.272 } $Leader_Info 11 { Num_Members = 44 Total_Energy = 97.197 vdW = -23.778 Coulomb = -29.667 Internal = 150.642 rmsd = 2.410 } $Leader_Info 12 { Num_Members = 43 Total_Energy = 99.051 vdW = -13.858 Coulomb = -34.232 Internal = 147.142 rmsd = 10.824 } $Leader_Info 13 { Num_Members = 18 Total_Energy = 99.587 vdW = -27.244 Coulomb = -28.305 Internal = 155.136 rmsd = 1.937 } $Leader_Info 14 { Num_Members = 43 Total_Energy = 99.984 vdW = -22.930 Coulomb = -30.448 Internal = 153.362 rmsd = 3.012 } $Leader_Info 15 { Num_Members = 49 Total_Energy = 100.752 vdW = -25.205 Coulomb = -30.762 Internal = 156.719 rmsd = 3.192 } $Leader_Info 16 { Num_Members = 47 Total_Energy = 101.833 vdW = -20.550 Coulomb = -35.446 Internal = 157.829 rmsd = 2.018 } $Leader_Info 17 { Num_Members = 36 Total_Energy = 102.754 vdW = -22.765 Coulomb = -23.347 Internal = 148.867 rmsd = 3.213 } $Leader_Info 18 { Num_Members = 4 Total_Energy = 103.010 vdW = -19.111 Coulomb = -26.058 Internal = 148.178 rmsd = 10.342 } $Leader_Info 19 { Num_Members = 10 Total_Energy = 104.064 vdW = -19.961 Coulomb = -22.090 Internal = 146.115 rmsd = 3.494 } $Leader_Info 20 { Num_Members = 41 Total_Energy = 105.225 vdW = -14.715 Coulomb = -31.835 Internal = 151.776 rmsd = 10.851 } $Leader_Info 21 { Num_Members = 32 Total_Energy = 105.513 vdW = -22.525 Coulomb = -29.068 Internal = 157.106 rmsd = 10.965 } $Leader_Info 22 { Num_Members = 40 Total_Energy = 105.565 vdW = -20.962 Coulomb = -25.130 Internal = 151.657 rmsd = 1.411 } $Leader_Info 23 { Num_Members = 28 Total_Energy = 106.790 vdW = -21.944 Coulomb = -30.963 Internal = 159.697 rmsd = 2.274 } $Leader_Info 24 { Num_Members = 3 Total_Energy = 106.964 vdW = -16.363 Coulomb = -33.647 Internal = 156.975 rmsd = 2.219 } $Leader_Info 25 { Num_Members = 35 Total_Energy = 107.105 vdW = -18.569 Coulomb = -30.410 Internal = 156.084 rmsd = 10.660 } $Leader_Info 26 { Num_Members = 13 Total_Energy = 107.139 vdW = -11.602 Coulomb = -36.312 Internal = 155.053 rmsd = 1.540 } $Leader_Info 27 { Num_Members = 3 Total_Energy = 108.986 vdW = -25.110 Coulomb = -29.648 Internal = 163.745 rmsd = 1.807 } $Leader_Info 28 { Num_Members = 19 Total_Energy = 109.908 vdW = -20.659 Coulomb = -29.699 Internal = 160.266 rmsd = 3.779 } $Leader_Info 29 { Num_Members = 20 Total_Energy = 112.337 vdW = -18.392 Coulomb = -17.189 Internal = 147.918 rmsd = 10.644 } $Leader_Info 30 { Num_Members = 1 Total_Energy = 115.013 vdW = -12.711 Coulomb = -29.928 Internal = 157.652 rmsd = 3.191 } $Leader_Info 31 { Num_Members = 24 Total_Energy = 115.318 vdW = -15.401 Coulomb = -15.515 Internal = 146.234 rmsd = 2.441 }