$Number_of_Clusters = 35 $Seed = -1985 $Leader_Info 1 { Num_Members = 38 Total_Energy = 78.513 vdW = -26.194 Coulomb = -35.874 Internal = 140.581 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 34 Total_Energy = 78.689 vdW = -24.059 Coulomb = -37.982 Internal = 140.731 rmsd = 2.055 } $Leader_Info 3 { Num_Members = 40 Total_Energy = 79.846 vdW = -26.619 Coulomb = -37.229 Internal = 143.695 rmsd = 3.427 } $Leader_Info 4 { Num_Members = 19 Total_Energy = 79.875 vdW = -24.137 Coulomb = -33.965 Internal = 137.977 rmsd = 1.562 } $Leader_Info 5 { Num_Members = 34 Total_Energy = 80.025 vdW = -24.705 Coulomb = -33.675 Internal = 138.405 rmsd = 1.439 } $Leader_Info 6 { Num_Members = 42 Total_Energy = 81.592 vdW = -27.037 Coulomb = -34.417 Internal = 143.046 rmsd = 3.614 } $Leader_Info 7 { Num_Members = 17 Total_Energy = 83.036 vdW = -19.418 Coulomb = -36.536 Internal = 138.990 rmsd = 2.202 } $Leader_Info 8 { Num_Members = 39 Total_Energy = 83.330 vdW = -24.487 Coulomb = -33.368 Internal = 141.185 rmsd = 3.347 } $Leader_Info 9 { Num_Members = 44 Total_Energy = 85.182 vdW = -22.793 Coulomb = -33.427 Internal = 141.402 rmsd = 1.996 } $Leader_Info 10 { Num_Members = 41 Total_Energy = 88.929 vdW = -20.564 Coulomb = -38.551 Internal = 148.043 rmsd = 2.477 } $Leader_Info 11 { Num_Members = 2 Total_Energy = 90.624 vdW = -25.079 Coulomb = -28.611 Internal = 144.314 rmsd = 2.102 } $Leader_Info 12 { Num_Members = 15 Total_Energy = 90.676 vdW = -16.955 Coulomb = -35.159 Internal = 142.790 rmsd = 2.070 } $Leader_Info 13 { Num_Members = 14 Total_Energy = 91.377 vdW = -20.731 Coulomb = -29.760 Internal = 141.868 rmsd = 2.275 } $Leader_Info 14 { Num_Members = 41 Total_Energy = 91.685 vdW = -25.612 Coulomb = -31.842 Internal = 149.140 rmsd = 3.422 } $Leader_Info 15 { Num_Members = 29 Total_Energy = 93.015 vdW = -22.245 Coulomb = -41.730 Internal = 156.990 rmsd = 3.652 } $Leader_Info 16 { Num_Members = 17 Total_Energy = 95.344 vdW = -19.407 Coulomb = -28.358 Internal = 143.108 rmsd = 3.205 } $Leader_Info 17 { Num_Members = 35 Total_Energy = 96.248 vdW = -19.603 Coulomb = -34.715 Internal = 150.566 rmsd = 2.976 } $Leader_Info 18 { Num_Members = 36 Total_Energy = 96.360 vdW = -22.778 Coulomb = -32.938 Internal = 152.075 rmsd = 2.619 } $Leader_Info 19 { Num_Members = 17 Total_Energy = 103.718 vdW = -15.370 Coulomb = -28.511 Internal = 147.599 rmsd = 3.852 } $Leader_Info 20 { Num_Members = 44 Total_Energy = 104.574 vdW = -8.562 Coulomb = -29.847 Internal = 142.983 rmsd = 4.378 } $Leader_Info 21 { Num_Members = 2 Total_Energy = 110.785 vdW = -10.572 Coulomb = -23.502 Internal = 144.859 rmsd = 3.981 } $Leader_Info 22 { Num_Members = 19 Total_Energy = 111.126 vdW = -22.179 Coulomb = -10.800 Internal = 144.104 rmsd = 3.332 } $Leader_Info 23 { Num_Members = 44 Total_Energy = 111.994 vdW = -20.403 Coulomb = -13.394 Internal = 145.791 rmsd = 3.376 } $Leader_Info 24 { Num_Members = 45 Total_Energy = 113.273 vdW = -1.645 Coulomb = -28.538 Internal = 143.457 rmsd = 2.165 } $Leader_Info 25 { Num_Members = 28 Total_Energy = 118.418 vdW = -7.111 Coulomb = -23.681 Internal = 149.211 rmsd = 3.058 } $Leader_Info 26 { Num_Members = 24 Total_Energy = 122.449 vdW = -15.970 Coulomb = -6.081 Internal = 144.500 rmsd = 3.500 } $Leader_Info 27 { Num_Members = 39 Total_Energy = 122.810 vdW = -0.251 Coulomb = -36.938 Internal = 160.000 rmsd = 3.805 } $Leader_Info 28 { Num_Members = 15 Total_Energy = 123.597 vdW = -19.921 Coulomb = -27.818 Internal = 171.337 rmsd = 3.603 } $Leader_Info 29 { Num_Members = 30 Total_Energy = 124.769 vdW = -21.482 Coulomb = -11.386 Internal = 157.636 rmsd = 4.977 } $Leader_Info 30 { Num_Members = 45 Total_Energy = 125.587 vdW = -22.640 Coulomb = -4.758 Internal = 152.985 rmsd = 11.069 } $Leader_Info 31 { Num_Members = 41 Total_Energy = 128.966 vdW = -6.812 Coulomb = -6.484 Internal = 142.262 rmsd = 3.356 } $Leader_Info 32 { Num_Members = 36 Total_Energy = 129.303 vdW = -22.682 Coulomb = -12.675 Internal = 164.660 rmsd = 11.621 } $Leader_Info 33 { Num_Members = 18 Total_Energy = 129.485 vdW = -10.749 Coulomb = -4.539 Internal = 144.773 rmsd = 2.863 } $Leader_Info 34 { Num_Members = 10 Total_Energy = 131.481 vdW = -10.646 Coulomb = -11.823 Internal = 153.950 rmsd = 3.669 } $Leader_Info 35 { Num_Members = 6 Total_Energy = 132.057 vdW = -20.705 Coulomb = -10.701 Internal = 163.462 rmsd = 11.384 }