$Number_of_Clusters = 38 $Seed = -1985 $Leader_Info 1 { Num_Members = 28 Total_Energy = 76.577 vdW = -25.215 Coulomb = -39.364 Internal = 141.157 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 48 Total_Energy = 78.096 vdW = -24.880 Coulomb = -35.963 Internal = 138.939 rmsd = 3.322 } $Leader_Info 3 { Num_Members = 17 Total_Energy = 80.275 vdW = -22.562 Coulomb = -36.504 Internal = 139.341 rmsd = 3.188 } $Leader_Info 4 { Num_Members = 38 Total_Energy = 84.777 vdW = -26.433 Coulomb = -33.262 Internal = 144.472 rmsd = 1.297 } $Leader_Info 5 { Num_Members = 49 Total_Energy = 88.585 vdW = -25.036 Coulomb = -30.996 Internal = 144.617 rmsd = 3.233 } $Leader_Info 6 { Num_Members = 25 Total_Energy = 88.647 vdW = -27.127 Coulomb = -38.174 Internal = 153.948 rmsd = 3.195 } $Leader_Info 7 { Num_Members = 44 Total_Energy = 89.501 vdW = -26.317 Coulomb = -32.747 Internal = 148.564 rmsd = 1.674 } $Leader_Info 8 { Num_Members = 45 Total_Energy = 90.208 vdW = -23.555 Coulomb = -33.486 Internal = 147.249 rmsd = 3.696 } $Leader_Info 9 { Num_Members = 3 Total_Energy = 91.361 vdW = -18.762 Coulomb = -32.547 Internal = 142.671 rmsd = 2.996 } $Leader_Info 10 { Num_Members = 41 Total_Energy = 92.413 vdW = -23.668 Coulomb = -31.580 Internal = 147.661 rmsd = 1.601 } $Leader_Info 11 { Num_Members = 42 Total_Energy = 92.611 vdW = -28.191 Coulomb = -33.167 Internal = 153.970 rmsd = 1.825 } $Leader_Info 12 { Num_Members = 36 Total_Energy = 93.178 vdW = -22.904 Coulomb = -33.226 Internal = 149.308 rmsd = 1.440 } $Leader_Info 13 { Num_Members = 42 Total_Energy = 96.626 vdW = -12.425 Coulomb = -36.037 Internal = 145.087 rmsd = 2.354 } $Leader_Info 14 { Num_Members = 29 Total_Energy = 100.106 vdW = -4.127 Coulomb = -40.673 Internal = 144.906 rmsd = 3.674 } $Leader_Info 15 { Num_Members = 50 Total_Energy = 100.292 vdW = -24.797 Coulomb = -16.969 Internal = 142.058 rmsd = 3.274 } $Leader_Info 16 { Num_Members = 41 Total_Energy = 101.281 vdW = -20.809 Coulomb = -29.712 Internal = 151.802 rmsd = 2.217 } $Leader_Info 17 { Num_Members = 37 Total_Energy = 101.846 vdW = -26.906 Coulomb = -28.318 Internal = 157.070 rmsd = 2.273 } $Leader_Info 18 { Num_Members = 15 Total_Energy = 102.646 vdW = -23.286 Coulomb = -25.186 Internal = 151.118 rmsd = 1.139 } $Leader_Info 19 { Num_Members = 5 Total_Energy = 105.035 vdW = -19.571 Coulomb = -15.022 Internal = 139.628 rmsd = 3.473 } $Leader_Info 20 { Num_Members = 14 Total_Energy = 106.058 vdW = -26.561 Coulomb = -26.894 Internal = 159.513 rmsd = 2.074 } $Leader_Info 21 { Num_Members = 42 Total_Energy = 106.232 vdW = -15.625 Coulomb = -27.989 Internal = 149.846 rmsd = 2.911 } $Leader_Info 22 { Num_Members = 9 Total_Energy = 106.349 vdW = -30.251 Coulomb = -9.721 Internal = 146.321 rmsd = 1.543 } $Leader_Info 23 { Num_Members = 1 Total_Energy = 107.567 vdW = -24.441 Coulomb = -16.330 Internal = 148.337 rmsd = 1.700 } $Leader_Info 24 { Num_Members = 2 Total_Energy = 109.579 vdW = -6.731 Coulomb = -32.860 Internal = 149.171 rmsd = 3.605 } $Leader_Info 25 { Num_Members = 8 Total_Energy = 112.461 vdW = -15.162 Coulomb = -27.084 Internal = 154.707 rmsd = 2.117 } $Leader_Info 26 { Num_Members = 17 Total_Energy = 112.899 vdW = -14.804 Coulomb = -37.906 Internal = 165.610 rmsd = 2.377 } $Leader_Info 27 { Num_Members = 43 Total_Energy = 113.794 vdW = -15.877 Coulomb = -34.742 Internal = 164.412 rmsd = 2.995 } $Leader_Info 28 { Num_Members = 18 Total_Energy = 114.696 vdW = -15.858 Coulomb = -31.925 Internal = 162.479 rmsd = 2.168 } $Leader_Info 29 { Num_Members = 4 Total_Energy = 118.536 vdW = -13.402 Coulomb = -19.533 Internal = 151.471 rmsd = 3.503 } $Leader_Info 30 { Num_Members = 34 Total_Energy = 120.378 vdW = -23.277 Coulomb = -7.823 Internal = 151.477 rmsd = 2.021 } $Leader_Info 31 { Num_Members = 42 Total_Energy = 120.476 vdW = -15.079 Coulomb = -20.861 Internal = 156.415 rmsd = 3.872 } $Leader_Info 32 { Num_Members = 1 Total_Energy = 122.185 vdW = -10.022 Coulomb = -24.342 Internal = 156.549 rmsd = 3.999 } $Leader_Info 33 { Num_Members = 32 Total_Energy = 123.455 vdW = -17.766 Coulomb = -22.587 Internal = 163.807 rmsd = 3.017 } $Leader_Info 34 { Num_Members = 9 Total_Energy = 124.294 vdW = -26.361 Coulomb = -4.189 Internal = 154.845 rmsd = 1.854 } $Leader_Info 35 { Num_Members = 26 Total_Energy = 124.863 vdW = -20.163 Coulomb = -6.492 Internal = 151.518 rmsd = 1.983 } $Leader_Info 36 { Num_Members = 41 Total_Energy = 125.227 vdW = -13.253 Coulomb = -16.768 Internal = 155.248 rmsd = 3.980 } $Leader_Info 37 { Num_Members = 15 Total_Energy = 125.549 vdW = -11.833 Coulomb = -20.323 Internal = 157.705 rmsd = 3.036 } $Leader_Info 38 { Num_Members = 7 Total_Energy = 128.917 vdW = 0.846 Coulomb = -33.393 Internal = 161.464 rmsd = 3.385 }