$Number_of_Clusters = 38 $Seed = -1985 $Leader_Info 1 { Num_Members = 33 Total_Energy = 78.555 vdW = -25.993 Coulomb = -34.828 Internal = 139.376 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 94 Total_Energy = 81.654 vdW = -28.003 Coulomb = -34.962 Internal = 144.618 rmsd = 2.931 } $Leader_Info 3 { Num_Members = 37 Total_Energy = 86.230 vdW = -27.740 Coulomb = -35.991 Internal = 149.960 rmsd = 1.056 } $Leader_Info 4 { Num_Members = 45 Total_Energy = 88.503 vdW = -25.551 Coulomb = -31.779 Internal = 145.834 rmsd = 11.249 } $Leader_Info 5 { Num_Members = 68 Total_Energy = 89.392 vdW = -22.043 Coulomb = -31.966 Internal = 143.401 rmsd = 1.887 } $Leader_Info 6 { Num_Members = 12 Total_Energy = 89.477 vdW = -24.060 Coulomb = -37.795 Internal = 151.332 rmsd = 1.027 } $Leader_Info 7 { Num_Members = 24 Total_Energy = 89.721 vdW = -12.445 Coulomb = -39.986 Internal = 142.151 rmsd = 1.333 } $Leader_Info 8 { Num_Members = 26 Total_Energy = 90.751 vdW = -20.527 Coulomb = -29.003 Internal = 140.281 rmsd = 1.104 } $Leader_Info 9 { Num_Members = 40 Total_Energy = 91.451 vdW = -28.211 Coulomb = -27.309 Internal = 146.972 rmsd = 10.641 } $Leader_Info 10 { Num_Members = 59 Total_Energy = 91.583 vdW = -27.614 Coulomb = -32.806 Internal = 152.003 rmsd = 3.233 } $Leader_Info 11 { Num_Members = 44 Total_Energy = 94.001 vdW = -20.936 Coulomb = -30.849 Internal = 145.786 rmsd = 3.348 } $Leader_Info 12 { Num_Members = 15 Total_Energy = 94.321 vdW = -26.821 Coulomb = -29.810 Internal = 150.952 rmsd = 2.840 } $Leader_Info 13 { Num_Members = 45 Total_Energy = 95.024 vdW = -5.927 Coulomb = -36.937 Internal = 137.888 rmsd = 1.506 } $Leader_Info 14 { Num_Members = 44 Total_Energy = 95.086 vdW = -11.874 Coulomb = -33.380 Internal = 140.340 rmsd = 2.641 } $Leader_Info 15 { Num_Members = 7 Total_Energy = 95.800 vdW = -19.002 Coulomb = -39.063 Internal = 153.865 rmsd = 1.748 } $Leader_Info 16 { Num_Members = 24 Total_Energy = 95.832 vdW = -13.254 Coulomb = -33.665 Internal = 142.751 rmsd = 1.196 } $Leader_Info 17 { Num_Members = 23 Total_Energy = 97.552 vdW = -15.005 Coulomb = -33.523 Internal = 146.079 rmsd = 2.250 } $Leader_Info 18 { Num_Members = 34 Total_Energy = 99.033 vdW = -24.331 Coulomb = -29.498 Internal = 152.862 rmsd = 10.790 } $Leader_Info 19 { Num_Members = 10 Total_Energy = 99.788 vdW = -24.932 Coulomb = -27.464 Internal = 152.184 rmsd = 2.908 } $Leader_Info 20 { Num_Members = 42 Total_Energy = 101.007 vdW = -14.554 Coulomb = -29.779 Internal = 145.340 rmsd = 3.319 } $Leader_Info 21 { Num_Members = 29 Total_Energy = 105.848 vdW = -14.087 Coulomb = -32.292 Internal = 152.228 rmsd = 1.474 } $Leader_Info 22 { Num_Members = 10 Total_Energy = 106.325 vdW = -27.239 Coulomb = -13.010 Internal = 146.575 rmsd = 3.184 } $Leader_Info 23 { Num_Members = 14 Total_Energy = 106.333 vdW = -24.923 Coulomb = -15.715 Internal = 146.971 rmsd = 1.268 } $Leader_Info 24 { Num_Members = 35 Total_Energy = 106.954 vdW = -25.270 Coulomb = -21.902 Internal = 154.126 rmsd = 1.982 } $Leader_Info 25 { Num_Members = 26 Total_Energy = 107.084 vdW = -12.524 Coulomb = -35.803 Internal = 155.411 rmsd = 3.343 } $Leader_Info 26 { Num_Members = 37 Total_Energy = 108.336 vdW = -21.760 Coulomb = -8.543 Internal = 138.640 rmsd = 3.507 } $Leader_Info 27 { Num_Members = 2 Total_Energy = 108.372 vdW = -15.493 Coulomb = -26.895 Internal = 150.760 rmsd = 1.302 } $Leader_Info 28 { Num_Members = 4 Total_Energy = 109.440 vdW = -5.040 Coulomb = -27.158 Internal = 141.639 rmsd = 2.241 } $Leader_Info 29 { Num_Members = 33 Total_Energy = 109.460 vdW = -22.283 Coulomb = -31.077 Internal = 162.820 rmsd = 3.270 } $Leader_Info 30 { Num_Members = 37 Total_Energy = 111.535 vdW = -13.579 Coulomb = -31.137 Internal = 156.251 rmsd = 3.061 } $Leader_Info 31 { Num_Members = 2 Total_Energy = 112.166 vdW = -18.879 Coulomb = -8.394 Internal = 139.439 rmsd = 1.250 } $Leader_Info 32 { Num_Members = 1 Total_Energy = 115.805 vdW = -22.973 Coulomb = -27.266 Internal = 166.044 rmsd = 3.553 } $Leader_Info 33 { Num_Members = 10 Total_Energy = 116.479 vdW = -25.825 Coulomb = -32.230 Internal = 174.534 rmsd = 2.236 } $Leader_Info 34 { Num_Members = 2 Total_Energy = 117.181 vdW = -9.622 Coulomb = -36.826 Internal = 163.629 rmsd = 3.517 } $Leader_Info 35 { Num_Members = 2 Total_Energy = 117.582 vdW = -21.529 Coulomb = -23.429 Internal = 162.541 rmsd = 2.296 } $Leader_Info 36 { Num_Members = 2 Total_Energy = 117.796 vdW = -9.280 Coulomb = -30.768 Internal = 157.844 rmsd = 2.321 } $Leader_Info 37 { Num_Members = 14 Total_Energy = 119.020 vdW = -17.646 Coulomb = -28.134 Internal = 164.799 rmsd = 3.492 } $Leader_Info 38 { Num_Members = 14 Total_Energy = 125.306 vdW = -17.801 Coulomb = -28.017 Internal = 171.123 rmsd = 3.239 }