$Number_of_Clusters = 36 $Seed = -1985 $Leader_Info 1 { Num_Members = 55 Total_Energy = 72.352 vdW = -27.029 Coulomb = -34.606 Internal = 133.987 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 53 Total_Energy = 73.062 vdW = -27.138 Coulomb = -34.174 Internal = 134.374 rmsd = 1.552 } $Leader_Info 3 { Num_Members = 4 Total_Energy = 73.066 vdW = -28.980 Coulomb = -31.035 Internal = 133.082 rmsd = 11.840 } $Leader_Info 4 { Num_Members = 19 Total_Energy = 75.868 vdW = -29.504 Coulomb = -31.041 Internal = 136.413 rmsd = 11.478 } $Leader_Info 5 { Num_Members = 45 Total_Energy = 80.075 vdW = -25.494 Coulomb = -34.114 Internal = 139.682 rmsd = 3.092 } $Leader_Info 6 { Num_Members = 43 Total_Energy = 80.976 vdW = -28.015 Coulomb = -36.288 Internal = 145.279 rmsd = 2.402 } $Leader_Info 7 { Num_Members = 43 Total_Energy = 82.037 vdW = -27.753 Coulomb = -30.267 Internal = 140.057 rmsd = 2.884 } $Leader_Info 8 { Num_Members = 38 Total_Energy = 82.960 vdW = -27.328 Coulomb = -35.448 Internal = 145.736 rmsd = 2.915 } $Leader_Info 9 { Num_Members = 44 Total_Energy = 83.358 vdW = -23.634 Coulomb = -40.169 Internal = 147.161 rmsd = 2.045 } $Leader_Info 10 { Num_Members = 34 Total_Energy = 84.741 vdW = -17.620 Coulomb = -33.432 Internal = 135.792 rmsd = 1.455 } $Leader_Info 11 { Num_Members = 26 Total_Energy = 85.921 vdW = -25.631 Coulomb = -22.201 Internal = 133.753 rmsd = 11.827 } $Leader_Info 12 { Num_Members = 7 Total_Energy = 85.962 vdW = -22.232 Coulomb = -31.207 Internal = 139.401 rmsd = 1.391 } $Leader_Info 13 { Num_Members = 43 Total_Energy = 86.303 vdW = -27.898 Coulomb = -31.207 Internal = 145.408 rmsd = 11.343 } $Leader_Info 14 { Num_Members = 43 Total_Energy = 86.514 vdW = -25.764 Coulomb = -33.609 Internal = 145.886 rmsd = 3.569 } $Leader_Info 15 { Num_Members = 42 Total_Energy = 88.409 vdW = -23.235 Coulomb = -28.121 Internal = 139.764 rmsd = 11.816 } $Leader_Info 16 { Num_Members = 38 Total_Energy = 88.861 vdW = -22.941 Coulomb = -32.880 Internal = 144.682 rmsd = 1.915 } $Leader_Info 17 { Num_Members = 44 Total_Energy = 89.695 vdW = -19.421 Coulomb = -35.439 Internal = 144.555 rmsd = 2.156 } $Leader_Info 18 { Num_Members = 24 Total_Energy = 90.579 vdW = -16.491 Coulomb = -30.047 Internal = 137.117 rmsd = 2.179 } $Leader_Info 19 { Num_Members = 38 Total_Energy = 91.552 vdW = -16.309 Coulomb = -32.550 Internal = 140.411 rmsd = 2.868 } $Leader_Info 20 { Num_Members = 4 Total_Energy = 91.603 vdW = -18.585 Coulomb = -35.694 Internal = 145.883 rmsd = 2.942 } $Leader_Info 21 { Num_Members = 46 Total_Energy = 94.485 vdW = -19.708 Coulomb = -27.210 Internal = 141.403 rmsd = 2.788 } $Leader_Info 22 { Num_Members = 5 Total_Energy = 96.602 vdW = -8.272 Coulomb = -32.556 Internal = 137.430 rmsd = 3.278 } $Leader_Info 23 { Num_Members = 29 Total_Energy = 97.853 vdW = -16.015 Coulomb = -35.067 Internal = 148.935 rmsd = 3.198 } $Leader_Info 24 { Num_Members = 1 Total_Energy = 98.687 vdW = -11.087 Coulomb = -31.739 Internal = 141.513 rmsd = 2.439 } $Leader_Info 25 { Num_Members = 30 Total_Energy = 98.923 vdW = -4.119 Coulomb = -33.411 Internal = 136.453 rmsd = 2.844 } $Leader_Info 26 { Num_Members = 11 Total_Energy = 99.180 vdW = -20.228 Coulomb = -29.445 Internal = 148.854 rmsd = 2.887 } $Leader_Info 27 { Num_Members = 34 Total_Energy = 99.703 vdW = -22.199 Coulomb = -30.960 Internal = 152.862 rmsd = 2.660 } $Leader_Info 28 { Num_Members = 6 Total_Energy = 100.048 vdW = -19.103 Coulomb = -40.027 Internal = 159.178 rmsd = 2.637 } $Leader_Info 29 { Num_Members = 44 Total_Energy = 100.924 vdW = -15.793 Coulomb = -34.130 Internal = 150.847 rmsd = 2.598 } $Leader_Info 30 { Num_Members = 37 Total_Energy = 105.641 vdW = -21.610 Coulomb = -34.747 Internal = 161.998 rmsd = 1.869 } $Leader_Info 31 { Num_Members = 4 Total_Energy = 105.674 vdW = -11.443 Coulomb = -35.370 Internal = 152.487 rmsd = 2.243 } $Leader_Info 32 { Num_Members = 18 Total_Energy = 107.669 vdW = -16.380 Coulomb = -20.427 Internal = 144.475 rmsd = 3.162 } $Leader_Info 33 { Num_Members = 2 Total_Energy = 108.131 vdW = -6.983 Coulomb = -22.210 Internal = 137.324 rmsd = 11.360 } $Leader_Info 34 { Num_Members = 25 Total_Energy = 109.073 vdW = -15.779 Coulomb = -36.355 Internal = 161.207 rmsd = 3.094 } $Leader_Info 35 { Num_Members = 20 Total_Energy = 110.012 vdW = -5.525 Coulomb = -35.339 Internal = 150.875 rmsd = 2.737 } $Leader_Info 36 { Num_Members = 1 Total_Energy = 111.979 vdW = -11.919 Coulomb = -21.631 Internal = 145.528 rmsd = 2.937 }