$Number_of_Clusters = 36 $Seed = -1985 $Leader_Info 1 { Num_Members = 51 Total_Energy = 73.393 vdW = -27.867 Coulomb = -34.295 Internal = 135.555 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 34 Total_Energy = 73.700 vdW = -28.961 Coulomb = -33.621 Internal = 136.282 rmsd = 1.279 } $Leader_Info 3 { Num_Members = 13 Total_Energy = 76.896 vdW = -23.525 Coulomb = -34.186 Internal = 134.607 rmsd = 1.588 } $Leader_Info 4 { Num_Members = 20 Total_Energy = 79.024 vdW = -27.381 Coulomb = -31.556 Internal = 137.961 rmsd = 1.826 } $Leader_Info 5 { Num_Members = 52 Total_Energy = 80.898 vdW = -28.476 Coulomb = -34.598 Internal = 143.971 rmsd = 2.163 } $Leader_Info 6 { Num_Members = 19 Total_Energy = 83.485 vdW = -24.408 Coulomb = -32.997 Internal = 140.891 rmsd = 1.107 } $Leader_Info 7 { Num_Members = 52 Total_Energy = 84.141 vdW = -26.938 Coulomb = -34.372 Internal = 145.451 rmsd = 3.131 } $Leader_Info 8 { Num_Members = 31 Total_Energy = 84.889 vdW = -23.378 Coulomb = -30.338 Internal = 138.605 rmsd = 1.749 } $Leader_Info 9 { Num_Members = 33 Total_Energy = 86.993 vdW = -24.726 Coulomb = -39.234 Internal = 150.952 rmsd = 1.939 } $Leader_Info 10 { Num_Members = 48 Total_Energy = 87.230 vdW = -28.361 Coulomb = -27.918 Internal = 143.509 rmsd = 11.811 } $Leader_Info 11 { Num_Members = 19 Total_Energy = 89.513 vdW = -28.466 Coulomb = -23.989 Internal = 141.968 rmsd = 1.133 } $Leader_Info 12 { Num_Members = 8 Total_Energy = 91.012 vdW = -21.870 Coulomb = -31.406 Internal = 144.288 rmsd = 1.973 } $Leader_Info 13 { Num_Members = 9 Total_Energy = 92.906 vdW = -27.094 Coulomb = -33.770 Internal = 153.770 rmsd = 3.071 } $Leader_Info 14 { Num_Members = 23 Total_Energy = 95.256 vdW = -19.789 Coulomb = -23.346 Internal = 138.391 rmsd = 1.643 } $Leader_Info 15 { Num_Members = 56 Total_Energy = 96.523 vdW = -15.310 Coulomb = -32.007 Internal = 143.840 rmsd = 3.052 } $Leader_Info 16 { Num_Members = 10 Total_Energy = 97.768 vdW = -17.484 Coulomb = -38.041 Internal = 153.293 rmsd = 2.372 } $Leader_Info 17 { Num_Members = 44 Total_Energy = 97.963 vdW = -12.190 Coulomb = -38.146 Internal = 148.299 rmsd = 1.562 } $Leader_Info 18 { Num_Members = 17 Total_Energy = 98.909 vdW = -15.402 Coulomb = -35.382 Internal = 149.693 rmsd = 3.503 } $Leader_Info 19 { Num_Members = 22 Total_Energy = 100.469 vdW = -16.753 Coulomb = -35.366 Internal = 152.588 rmsd = 2.134 } $Leader_Info 20 { Num_Members = 43 Total_Energy = 100.795 vdW = -15.076 Coulomb = -30.548 Internal = 146.420 rmsd = 2.851 } $Leader_Info 21 { Num_Members = 39 Total_Energy = 102.389 vdW = -18.254 Coulomb = -33.170 Internal = 153.813 rmsd = 1.477 } $Leader_Info 22 { Num_Members = 3 Total_Energy = 102.686 vdW = -22.698 Coulomb = -16.307 Internal = 141.691 rmsd = 11.828 } $Leader_Info 23 { Num_Members = 40 Total_Energy = 103.641 vdW = -26.858 Coulomb = -25.021 Internal = 155.520 rmsd = 11.518 } $Leader_Info 24 { Num_Members = 49 Total_Energy = 103.934 vdW = -20.452 Coulomb = -30.324 Internal = 154.710 rmsd = 2.949 } $Leader_Info 25 { Num_Members = 46 Total_Energy = 104.340 vdW = -6.281 Coulomb = -31.472 Internal = 142.093 rmsd = 4.292 } $Leader_Info 26 { Num_Members = 26 Total_Energy = 104.728 vdW = -10.137 Coulomb = -35.422 Internal = 150.287 rmsd = 3.711 } $Leader_Info 27 { Num_Members = 14 Total_Energy = 105.396 vdW = -27.980 Coulomb = -14.156 Internal = 147.532 rmsd = 3.472 } $Leader_Info 28 { Num_Members = 37 Total_Energy = 106.966 vdW = -14.629 Coulomb = -29.206 Internal = 150.801 rmsd = 11.283 } $Leader_Info 29 { Num_Members = 8 Total_Energy = 109.465 vdW = -22.459 Coulomb = -29.055 Internal = 160.979 rmsd = 3.207 } $Leader_Info 30 { Num_Members = 26 Total_Energy = 117.533 vdW = -19.107 Coulomb = -31.664 Internal = 168.304 rmsd = 2.430 } $Leader_Info 31 { Num_Members = 23 Total_Energy = 117.553 vdW = -16.983 Coulomb = -11.146 Internal = 145.681 rmsd = 2.430 } $Leader_Info 32 { Num_Members = 22 Total_Energy = 117.606 vdW = -17.392 Coulomb = -6.494 Internal = 141.492 rmsd = 2.751 } $Leader_Info 33 { Num_Members = 25 Total_Energy = 117.790 vdW = -14.518 Coulomb = -31.491 Internal = 163.799 rmsd = 3.414 } $Leader_Info 34 { Num_Members = 12 Total_Energy = 118.075 vdW = -1.159 Coulomb = -35.470 Internal = 154.704 rmsd = 3.120 } $Leader_Info 35 { Num_Members = 24 Total_Energy = 118.181 vdW = -14.737 Coulomb = -23.813 Internal = 156.731 rmsd = 10.912 } $Leader_Info 36 { Num_Members = 2 Total_Energy = 121.616 vdW = -10.165 Coulomb = -21.823 Internal = 153.605 rmsd = 3.164 }