$Number_of_Clusters = 36 $Seed = -1985 $Leader_Info 1 { Num_Members = 37 Total_Energy = 75.016 vdW = -27.875 Coulomb = -36.416 Internal = 139.307 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 55 Total_Energy = 77.672 vdW = -27.977 Coulomb = -31.692 Internal = 137.341 rmsd = 11.704 } $Leader_Info 3 { Num_Members = 27 Total_Energy = 79.573 vdW = -24.771 Coulomb = -33.464 Internal = 137.808 rmsd = 1.286 } $Leader_Info 4 { Num_Members = 34 Total_Energy = 81.871 vdW = -25.056 Coulomb = -34.531 Internal = 141.458 rmsd = 3.274 } $Leader_Info 5 { Num_Members = 37 Total_Energy = 81.956 vdW = -25.479 Coulomb = -32.838 Internal = 140.274 rmsd = 1.517 } $Leader_Info 6 { Num_Members = 19 Total_Energy = 84.621 vdW = -17.830 Coulomb = -34.809 Internal = 137.260 rmsd = 1.075 } $Leader_Info 7 { Num_Members = 26 Total_Energy = 85.096 vdW = -27.589 Coulomb = -33.055 Internal = 145.740 rmsd = 1.690 } $Leader_Info 8 { Num_Members = 47 Total_Energy = 86.770 vdW = -29.160 Coulomb = -36.340 Internal = 152.270 rmsd = 3.017 } $Leader_Info 9 { Num_Members = 32 Total_Energy = 91.826 vdW = -28.984 Coulomb = -25.222 Internal = 146.032 rmsd = 1.230 } $Leader_Info 10 { Num_Members = 52 Total_Energy = 91.849 vdW = -16.550 Coulomb = -32.922 Internal = 141.320 rmsd = 2.977 } $Leader_Info 11 { Num_Members = 47 Total_Energy = 93.022 vdW = -27.349 Coulomb = -29.442 Internal = 149.813 rmsd = 1.305 } $Leader_Info 12 { Num_Members = 45 Total_Energy = 93.851 vdW = -22.246 Coulomb = -34.593 Internal = 150.690 rmsd = 2.868 } $Leader_Info 13 { Num_Members = 46 Total_Energy = 94.110 vdW = -22.896 Coulomb = -33.293 Internal = 150.299 rmsd = 2.332 } $Leader_Info 14 { Num_Members = 45 Total_Energy = 94.263 vdW = -26.103 Coulomb = -37.981 Internal = 158.348 rmsd = 1.834 } $Leader_Info 15 { Num_Members = 18 Total_Energy = 94.446 vdW = -18.234 Coulomb = -33.518 Internal = 146.198 rmsd = 3.014 } $Leader_Info 16 { Num_Members = 32 Total_Energy = 96.145 vdW = -17.776 Coulomb = -34.294 Internal = 148.215 rmsd = 2.979 } $Leader_Info 17 { Num_Members = 45 Total_Energy = 97.022 vdW = -26.739 Coulomb = -28.257 Internal = 152.018 rmsd = 3.438 } $Leader_Info 18 { Num_Members = 3 Total_Energy = 99.514 vdW = -22.092 Coulomb = -27.978 Internal = 149.584 rmsd = 1.270 } $Leader_Info 19 { Num_Members = 20 Total_Energy = 100.334 vdW = -24.485 Coulomb = -29.430 Internal = 154.249 rmsd = 1.773 } $Leader_Info 20 { Num_Members = 11 Total_Energy = 101.259 vdW = -11.237 Coulomb = -35.196 Internal = 147.692 rmsd = 3.287 } $Leader_Info 21 { Num_Members = 1 Total_Energy = 101.838 vdW = -24.853 Coulomb = -28.389 Internal = 155.080 rmsd = 2.507 } $Leader_Info 22 { Num_Members = 21 Total_Energy = 102.002 vdW = -13.269 Coulomb = -38.052 Internal = 153.323 rmsd = 3.332 } $Leader_Info 23 { Num_Members = 11 Total_Energy = 102.097 vdW = -25.980 Coulomb = -20.705 Internal = 148.782 rmsd = 1.447 } $Leader_Info 24 { Num_Members = 45 Total_Energy = 102.922 vdW = -14.551 Coulomb = -33.674 Internal = 151.146 rmsd = 3.641 } $Leader_Info 25 { Num_Members = 40 Total_Energy = 103.683 vdW = -23.779 Coulomb = -29.665 Internal = 157.127 rmsd = 11.294 } $Leader_Info 26 { Num_Members = 43 Total_Energy = 103.907 vdW = -18.771 Coulomb = -31.953 Internal = 154.631 rmsd = 1.527 } $Leader_Info 27 { Num_Members = 2 Total_Energy = 104.558 vdW = -19.039 Coulomb = -31.503 Internal = 155.100 rmsd = 2.303 } $Leader_Info 28 { Num_Members = 4 Total_Energy = 105.320 vdW = -14.258 Coulomb = -29.904 Internal = 149.483 rmsd = 3.232 } $Leader_Info 29 { Num_Members = 6 Total_Energy = 105.738 vdW = -3.648 Coulomb = -34.908 Internal = 144.294 rmsd = 3.526 } $Leader_Info 30 { Num_Members = 2 Total_Energy = 109.979 vdW = -23.174 Coulomb = -30.290 Internal = 163.444 rmsd = 2.081 } $Leader_Info 31 { Num_Members = 41 Total_Energy = 112.103 vdW = -9.418 Coulomb = -30.181 Internal = 151.703 rmsd = 11.207 } $Leader_Info 32 { Num_Members = 35 Total_Energy = 113.333 vdW = -17.790 Coulomb = -23.472 Internal = 154.595 rmsd = 10.952 } $Leader_Info 33 { Num_Members = 28 Total_Energy = 113.900 vdW = -21.874 Coulomb = -14.369 Internal = 150.143 rmsd = 3.326 } $Leader_Info 34 { Num_Members = 28 Total_Energy = 114.054 vdW = -19.296 Coulomb = -13.780 Internal = 147.130 rmsd = 3.742 } $Leader_Info 35 { Num_Members = 4 Total_Energy = 114.273 vdW = 1.036 Coulomb = -33.456 Internal = 146.694 rmsd = 2.424 } $Leader_Info 36 { Num_Members = 11 Total_Energy = 114.881 vdW = -17.340 Coulomb = -30.642 Internal = 162.862 rmsd = 11.436 }