$Number_of_Clusters = 37 $Seed = -1985 $Leader_Info 1 { Num_Members = 31 Total_Energy = 78.757 vdW = -27.616 Coulomb = -35.689 Internal = 142.062 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 67 Total_Energy = 79.866 vdW = -29.654 Coulomb = -32.672 Internal = 142.192 rmsd = 1.135 } $Leader_Info 3 { Num_Members = 34 Total_Energy = 80.030 vdW = -25.456 Coulomb = -36.942 Internal = 142.428 rmsd = 1.194 } $Leader_Info 4 { Num_Members = 46 Total_Energy = 81.299 vdW = -26.708 Coulomb = -29.195 Internal = 137.202 rmsd = 3.094 } $Leader_Info 5 { Num_Members = 21 Total_Energy = 81.526 vdW = -25.846 Coulomb = -35.035 Internal = 142.407 rmsd = 3.237 } $Leader_Info 6 { Num_Members = 45 Total_Energy = 81.915 vdW = -24.656 Coulomb = -33.235 Internal = 139.806 rmsd = 3.021 } $Leader_Info 7 { Num_Members = 44 Total_Energy = 82.451 vdW = -31.995 Coulomb = -28.594 Internal = 143.040 rmsd = 11.521 } $Leader_Info 8 { Num_Members = 39 Total_Energy = 87.762 vdW = -22.963 Coulomb = -31.449 Internal = 142.173 rmsd = 3.293 } $Leader_Info 9 { Num_Members = 55 Total_Energy = 87.915 vdW = -20.755 Coulomb = -34.287 Internal = 142.957 rmsd = 3.002 } $Leader_Info 10 { Num_Members = 14 Total_Energy = 88.195 vdW = -19.884 Coulomb = -37.056 Internal = 145.135 rmsd = 1.047 } $Leader_Info 11 { Num_Members = 53 Total_Energy = 89.181 vdW = -24.035 Coulomb = -32.535 Internal = 145.751 rmsd = 1.906 } $Leader_Info 12 { Num_Members = 37 Total_Energy = 91.574 vdW = -22.254 Coulomb = -31.273 Internal = 145.102 rmsd = 3.026 } $Leader_Info 13 { Num_Members = 17 Total_Energy = 92.639 vdW = -17.375 Coulomb = -34.755 Internal = 144.769 rmsd = 3.331 } $Leader_Info 14 { Num_Members = 41 Total_Energy = 93.774 vdW = -16.502 Coulomb = -33.857 Internal = 144.133 rmsd = 2.784 } $Leader_Info 15 { Num_Members = 24 Total_Energy = 93.898 vdW = -25.848 Coulomb = -38.380 Internal = 158.126 rmsd = 2.912 } $Leader_Info 16 { Num_Members = 1 Total_Energy = 93.902 vdW = -26.695 Coulomb = -28.694 Internal = 149.292 rmsd = 1.435 } $Leader_Info 17 { Num_Members = 41 Total_Energy = 93.961 vdW = -16.906 Coulomb = -38.527 Internal = 149.394 rmsd = 2.018 } $Leader_Info 18 { Num_Members = 35 Total_Energy = 94.560 vdW = -26.219 Coulomb = -37.240 Internal = 158.019 rmsd = 2.047 } $Leader_Info 19 { Num_Members = 30 Total_Energy = 96.029 vdW = -13.632 Coulomb = -31.908 Internal = 141.569 rmsd = 3.916 } $Leader_Info 20 { Num_Members = 25 Total_Energy = 97.811 vdW = -19.491 Coulomb = -30.753 Internal = 148.055 rmsd = 3.399 } $Leader_Info 21 { Num_Members = 7 Total_Energy = 98.487 vdW = -17.424 Coulomb = -28.900 Internal = 144.811 rmsd = 2.578 } $Leader_Info 22 { Num_Members = 40 Total_Energy = 98.680 vdW = -16.233 Coulomb = -29.062 Internal = 143.975 rmsd = 11.149 } $Leader_Info 23 { Num_Members = 2 Total_Energy = 99.406 vdW = -18.747 Coulomb = -30.624 Internal = 148.777 rmsd = 1.013 } $Leader_Info 24 { Num_Members = 32 Total_Energy = 100.334 vdW = -15.145 Coulomb = -28.116 Internal = 143.595 rmsd = 10.811 } $Leader_Info 25 { Num_Members = 19 Total_Energy = 102.187 vdW = -4.299 Coulomb = -36.730 Internal = 143.216 rmsd = 3.343 } $Leader_Info 26 { Num_Members = 12 Total_Energy = 103.158 vdW = -27.176 Coulomb = -28.232 Internal = 158.567 rmsd = 1.770 } $Leader_Info 27 { Num_Members = 13 Total_Energy = 103.293 vdW = -14.200 Coulomb = -30.577 Internal = 148.069 rmsd = 1.662 } $Leader_Info 28 { Num_Members = 25 Total_Energy = 104.653 vdW = -18.891 Coulomb = -20.715 Internal = 144.259 rmsd = 1.793 } $Leader_Info 29 { Num_Members = 45 Total_Energy = 105.396 vdW = -14.157 Coulomb = -38.311 Internal = 157.864 rmsd = 3.151 } $Leader_Info 30 { Num_Members = 7 Total_Energy = 105.447 vdW = -21.439 Coulomb = -25.176 Internal = 152.061 rmsd = 1.742 } $Leader_Info 31 { Num_Members = 5 Total_Energy = 105.978 vdW = -12.593 Coulomb = -34.013 Internal = 152.585 rmsd = 3.930 } $Leader_Info 32 { Num_Members = 1 Total_Energy = 107.250 vdW = 3.447 Coulomb = -36.866 Internal = 140.669 rmsd = 3.094 } $Leader_Info 33 { Num_Members = 41 Total_Energy = 107.745 vdW = -4.567 Coulomb = -28.291 Internal = 140.603 rmsd = 2.685 } $Leader_Info 34 { Num_Members = 35 Total_Energy = 109.665 vdW = -9.622 Coulomb = -37.829 Internal = 157.116 rmsd = 3.311 } $Leader_Info 35 { Num_Members = 1 Total_Energy = 109.694 vdW = -18.576 Coulomb = -29.650 Internal = 157.919 rmsd = 3.255 } $Leader_Info 36 { Num_Members = 10 Total_Energy = 110.616 vdW = -25.055 Coulomb = -18.328 Internal = 153.999 rmsd = 2.721 } $Leader_Info 37 { Num_Members = 5 Total_Energy = 114.271 vdW = -23.125 Coulomb = -23.218 Internal = 160.613 rmsd = 2.693 }