$Number_of_Clusters = 32 $Seed = -1985 $Leader_Info 1 { Num_Members = 26 Total_Energy = 80.602 vdW = -27.957 Coulomb = -35.254 Internal = 143.812 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 44 Total_Energy = 82.561 vdW = -28.010 Coulomb = -34.593 Internal = 145.163 rmsd = 2.863 } $Leader_Info 3 { Num_Members = 68 Total_Energy = 83.754 vdW = -28.107 Coulomb = -36.102 Internal = 147.963 rmsd = 3.072 } $Leader_Info 4 { Num_Members = 26 Total_Energy = 94.085 vdW = -22.028 Coulomb = -35.391 Internal = 151.503 rmsd = 3.027 } $Leader_Info 5 { Num_Members = 52 Total_Energy = 95.609 vdW = -27.729 Coulomb = -33.886 Internal = 157.224 rmsd = 1.823 } $Leader_Info 6 { Num_Members = 40 Total_Energy = 96.851 vdW = -14.338 Coulomb = -33.733 Internal = 144.921 rmsd = 2.518 } $Leader_Info 7 { Num_Members = 18 Total_Energy = 99.822 vdW = -9.940 Coulomb = -35.431 Internal = 145.194 rmsd = 3.161 } $Leader_Info 8 { Num_Members = 14 Total_Energy = 99.847 vdW = -23.814 Coulomb = -30.188 Internal = 153.849 rmsd = 3.192 } $Leader_Info 9 { Num_Members = 34 Total_Energy = 100.259 vdW = -14.505 Coulomb = -34.545 Internal = 149.309 rmsd = 3.399 } $Leader_Info 10 { Num_Members = 35 Total_Energy = 100.326 vdW = -21.724 Coulomb = -27.758 Internal = 149.808 rmsd = 1.635 } $Leader_Info 11 { Num_Members = 43 Total_Energy = 102.959 vdW = -7.240 Coulomb = -26.895 Internal = 137.095 rmsd = 3.581 } $Leader_Info 12 { Num_Members = 16 Total_Energy = 105.088 vdW = -24.735 Coulomb = -18.585 Internal = 148.409 rmsd = 1.439 } $Leader_Info 13 { Num_Members = 39 Total_Energy = 105.591 vdW = -15.680 Coulomb = -24.195 Internal = 145.465 rmsd = 3.028 } $Leader_Info 14 { Num_Members = 44 Total_Energy = 107.393 vdW = -15.400 Coulomb = -34.685 Internal = 157.478 rmsd = 3.698 } $Leader_Info 15 { Num_Members = 41 Total_Energy = 107.542 vdW = -6.215 Coulomb = -17.296 Internal = 131.052 rmsd = 3.292 } $Leader_Info 16 { Num_Members = 24 Total_Energy = 110.702 vdW = -28.110 Coulomb = -25.418 Internal = 164.230 rmsd = 1.312 } $Leader_Info 17 { Num_Members = 29 Total_Energy = 111.631 vdW = -18.217 Coulomb = -26.900 Internal = 156.748 rmsd = 2.349 } $Leader_Info 18 { Num_Members = 42 Total_Energy = 112.069 vdW = -26.570 Coulomb = -30.793 Internal = 169.432 rmsd = 1.144 } $Leader_Info 19 { Num_Members = 31 Total_Energy = 112.419 vdW = 8.519 Coulomb = -35.797 Internal = 139.697 rmsd = 3.035 } $Leader_Info 20 { Num_Members = 29 Total_Energy = 113.686 vdW = -16.129 Coulomb = -29.280 Internal = 159.095 rmsd = 2.865 } $Leader_Info 21 { Num_Members = 14 Total_Energy = 113.705 vdW = -16.127 Coulomb = -28.972 Internal = 158.805 rmsd = 3.291 } $Leader_Info 22 { Num_Members = 44 Total_Energy = 113.798 vdW = -18.535 Coulomb = -11.664 Internal = 143.997 rmsd = 3.534 } $Leader_Info 23 { Num_Members = 39 Total_Energy = 115.010 vdW = -8.680 Coulomb = -31.159 Internal = 154.850 rmsd = 3.494 } $Leader_Info 24 { Num_Members = 4 Total_Energy = 115.740 vdW = -15.188 Coulomb = -27.501 Internal = 158.429 rmsd = 3.792 } $Leader_Info 25 { Num_Members = 40 Total_Energy = 116.953 vdW = -16.116 Coulomb = -26.661 Internal = 159.730 rmsd = 2.149 } $Leader_Info 26 { Num_Members = 1 Total_Energy = 117.266 vdW = -17.798 Coulomb = -21.189 Internal = 156.252 rmsd = 3.511 } $Leader_Info 27 { Num_Members = 36 Total_Energy = 117.566 vdW = -22.092 Coulomb = -30.286 Internal = 169.944 rmsd = 1.485 } $Leader_Info 28 { Num_Members = 32 Total_Energy = 119.788 vdW = -14.184 Coulomb = -32.145 Internal = 166.117 rmsd = 3.237 } $Leader_Info 29 { Num_Members = 32 Total_Energy = 122.095 vdW = -18.645 Coulomb = -17.219 Internal = 157.958 rmsd = 3.265 } $Leader_Info 30 { Num_Members = 31 Total_Energy = 124.324 vdW = -19.494 Coulomb = -23.055 Internal = 166.873 rmsd = 1.666 } $Leader_Info 31 { Num_Members = 16 Total_Energy = 126.774 vdW = -23.256 Coulomb = -2.759 Internal = 152.789 rmsd = 2.493 } $Leader_Info 32 { Num_Members = 16 Total_Energy = 128.017 vdW = -14.388 Coulomb = -20.085 Internal = 162.491 rmsd = 3.418 }