$Number_of_Clusters = 39 $Seed = -1985 $Leader_Info 1 { Num_Members = 32 Total_Energy = 73.456 vdW = -27.462 Coulomb = -34.624 Internal = 135.543 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 28 Total_Energy = 74.495 vdW = -27.823 Coulomb = -35.163 Internal = 137.481 rmsd = 1.025 } $Leader_Info 3 { Num_Members = 52 Total_Energy = 77.801 vdW = -31.724 Coulomb = -27.674 Internal = 137.199 rmsd = 11.599 } $Leader_Info 4 { Num_Members = 61 Total_Energy = 81.935 vdW = -27.417 Coulomb = -38.476 Internal = 147.828 rmsd = 2.961 } $Leader_Info 5 { Num_Members = 64 Total_Energy = 82.012 vdW = -24.718 Coulomb = -36.100 Internal = 142.830 rmsd = 2.847 } $Leader_Info 6 { Num_Members = 61 Total_Energy = 83.156 vdW = -21.490 Coulomb = -35.782 Internal = 140.428 rmsd = 3.188 } $Leader_Info 7 { Num_Members = 17 Total_Energy = 84.272 vdW = -19.327 Coulomb = -34.747 Internal = 138.345 rmsd = 1.668 } $Leader_Info 8 { Num_Members = 5 Total_Energy = 85.272 vdW = -29.452 Coulomb = -23.945 Internal = 138.669 rmsd = 1.093 } $Leader_Info 9 { Num_Members = 36 Total_Energy = 87.297 vdW = -24.924 Coulomb = -29.686 Internal = 141.907 rmsd = 1.286 } $Leader_Info 10 { Num_Members = 24 Total_Energy = 88.143 vdW = -22.009 Coulomb = -27.916 Internal = 138.068 rmsd = 1.002 } $Leader_Info 11 { Num_Members = 42 Total_Energy = 89.648 vdW = -14.321 Coulomb = -40.615 Internal = 144.584 rmsd = 1.920 } $Leader_Info 12 { Num_Members = 47 Total_Energy = 89.986 vdW = -23.079 Coulomb = -32.171 Internal = 145.236 rmsd = 2.875 } $Leader_Info 13 { Num_Members = 13 Total_Energy = 90.282 vdW = -21.709 Coulomb = -32.287 Internal = 144.277 rmsd = 2.072 } $Leader_Info 14 { Num_Members = 37 Total_Energy = 91.023 vdW = -25.535 Coulomb = -31.858 Internal = 148.416 rmsd = 3.180 } $Leader_Info 15 { Num_Members = 26 Total_Energy = 92.539 vdW = -17.350 Coulomb = -31.531 Internal = 141.420 rmsd = 1.823 } $Leader_Info 16 { Num_Members = 35 Total_Energy = 93.347 vdW = -24.900 Coulomb = -30.086 Internal = 148.333 rmsd = 1.134 } $Leader_Info 17 { Num_Members = 43 Total_Energy = 94.883 vdW = -23.274 Coulomb = -30.467 Internal = 148.624 rmsd = 11.332 } $Leader_Info 18 { Num_Members = 37 Total_Energy = 96.490 vdW = -28.378 Coulomb = -33.173 Internal = 158.041 rmsd = 1.946 } $Leader_Info 19 { Num_Members = 17 Total_Energy = 96.839 vdW = -17.164 Coulomb = -35.435 Internal = 149.438 rmsd = 2.357 } $Leader_Info 20 { Num_Members = 10 Total_Energy = 97.773 vdW = -14.684 Coulomb = -31.721 Internal = 144.178 rmsd = 3.138 } $Leader_Info 21 { Num_Members = 4 Total_Energy = 98.411 vdW = -25.051 Coulomb = -26.215 Internal = 149.677 rmsd = 1.079 } $Leader_Info 22 { Num_Members = 30 Total_Energy = 98.735 vdW = -12.358 Coulomb = -36.195 Internal = 147.289 rmsd = 3.829 } $Leader_Info 23 { Num_Members = 45 Total_Energy = 98.778 vdW = -22.777 Coulomb = -34.742 Internal = 156.298 rmsd = 3.084 } $Leader_Info 24 { Num_Members = 23 Total_Energy = 100.216 vdW = -19.734 Coulomb = -32.906 Internal = 152.856 rmsd = 3.401 } $Leader_Info 25 { Num_Members = 34 Total_Energy = 100.634 vdW = -21.181 Coulomb = -33.419 Internal = 155.233 rmsd = 11.080 } $Leader_Info 26 { Num_Members = 44 Total_Energy = 101.252 vdW = -14.106 Coulomb = -27.484 Internal = 142.842 rmsd = 2.489 } $Leader_Info 27 { Num_Members = 1 Total_Energy = 102.005 vdW = -23.453 Coulomb = -16.517 Internal = 141.975 rmsd = 3.184 } $Leader_Info 28 { Num_Members = 1 Total_Energy = 103.085 vdW = -18.668 Coulomb = -27.662 Internal = 149.415 rmsd = 1.590 } $Leader_Info 29 { Num_Members = 30 Total_Energy = 103.758 vdW = -26.216 Coulomb = -12.982 Internal = 142.956 rmsd = 3.037 } $Leader_Info 30 { Num_Members = 6 Total_Energy = 103.964 vdW = -16.329 Coulomb = -37.042 Internal = 157.335 rmsd = 2.774 } $Leader_Info 31 { Num_Members = 8 Total_Energy = 104.986 vdW = -0.741 Coulomb = -36.539 Internal = 142.266 rmsd = 3.147 } $Leader_Info 32 { Num_Members = 33 Total_Energy = 107.232 vdW = -19.460 Coulomb = -28.824 Internal = 155.516 rmsd = 10.907 } $Leader_Info 33 { Num_Members = 9 Total_Energy = 109.485 vdW = -18.003 Coulomb = -28.850 Internal = 156.338 rmsd = 3.097 } $Leader_Info 34 { Num_Members = 8 Total_Energy = 109.489 vdW = -22.464 Coulomb = -25.808 Internal = 157.762 rmsd = 2.568 } $Leader_Info 35 { Num_Members = 6 Total_Energy = 111.561 vdW = -13.396 Coulomb = -31.838 Internal = 156.795 rmsd = 2.566 } $Leader_Info 36 { Num_Members = 1 Total_Energy = 111.673 vdW = -2.831 Coulomb = -34.812 Internal = 149.317 rmsd = 3.216 } $Leader_Info 37 { Num_Members = 25 Total_Energy = 112.920 vdW = -6.749 Coulomb = -34.225 Internal = 153.894 rmsd = 2.971 } $Leader_Info 38 { Num_Members = 4 Total_Energy = 112.932 vdW = -4.922 Coulomb = -29.423 Internal = 147.277 rmsd = 11.357 } $Leader_Info 39 { Num_Members = 1 Total_Energy = 113.033 vdW = -12.984 Coulomb = -34.318 Internal = 160.334 rmsd = 2.244 }