$Number_of_Clusters = 36 $Seed = -1985 $Leader_Info 1 { Num_Members = 16 Total_Energy = 77.022 vdW = -27.807 Coulomb = -34.244 Internal = 139.073 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 17 Total_Energy = 78.650 vdW = -25.774 Coulomb = -34.400 Internal = 138.825 rmsd = 1.183 } $Leader_Info 3 { Num_Members = 45 Total_Energy = 79.446 vdW = -28.300 Coulomb = -34.285 Internal = 142.031 rmsd = 3.411 } $Leader_Info 4 { Num_Members = 45 Total_Energy = 80.614 vdW = -21.556 Coulomb = -36.012 Internal = 138.181 rmsd = 3.219 } $Leader_Info 5 { Num_Members = 39 Total_Energy = 80.880 vdW = -28.921 Coulomb = -36.081 Internal = 145.882 rmsd = 2.103 } $Leader_Info 6 { Num_Members = 45 Total_Energy = 85.684 vdW = -20.677 Coulomb = -35.703 Internal = 142.064 rmsd = 2.885 } $Leader_Info 7 { Num_Members = 63 Total_Energy = 87.092 vdW = -25.489 Coulomb = -35.169 Internal = 147.750 rmsd = 1.247 } $Leader_Info 8 { Num_Members = 62 Total_Energy = 87.152 vdW = -23.567 Coulomb = -31.180 Internal = 141.899 rmsd = 3.495 } $Leader_Info 9 { Num_Members = 38 Total_Energy = 89.284 vdW = -19.744 Coulomb = -37.024 Internal = 146.052 rmsd = 3.114 } $Leader_Info 10 { Num_Members = 19 Total_Energy = 89.926 vdW = -17.219 Coulomb = -36.585 Internal = 143.731 rmsd = 3.508 } $Leader_Info 11 { Num_Members = 15 Total_Energy = 89.964 vdW = -24.163 Coulomb = -28.127 Internal = 142.254 rmsd = 3.341 } $Leader_Info 12 { Num_Members = 9 Total_Energy = 90.868 vdW = -21.466 Coulomb = -37.292 Internal = 149.627 rmsd = 3.174 } $Leader_Info 13 { Num_Members = 28 Total_Energy = 90.881 vdW = -22.285 Coulomb = -34.854 Internal = 148.020 rmsd = 1.713 } $Leader_Info 14 { Num_Members = 19 Total_Energy = 91.645 vdW = -20.407 Coulomb = -31.391 Internal = 143.443 rmsd = 3.025 } $Leader_Info 15 { Num_Members = 32 Total_Energy = 91.994 vdW = -17.449 Coulomb = -32.964 Internal = 142.407 rmsd = 3.526 } $Leader_Info 16 { Num_Members = 45 Total_Energy = 93.137 vdW = -28.833 Coulomb = -32.645 Internal = 154.615 rmsd = 2.097 } $Leader_Info 17 { Num_Members = 28 Total_Energy = 95.017 vdW = -23.071 Coulomb = -31.840 Internal = 149.928 rmsd = 3.491 } $Leader_Info 18 { Num_Members = 8 Total_Energy = 95.451 vdW = -5.359 Coulomb = -41.194 Internal = 142.004 rmsd = 3.675 } $Leader_Info 19 { Num_Members = 38 Total_Energy = 96.281 vdW = -19.645 Coulomb = -31.537 Internal = 147.463 rmsd = 1.851 } $Leader_Info 20 { Num_Members = 7 Total_Energy = 97.992 vdW = -27.025 Coulomb = -33.588 Internal = 158.604 rmsd = 3.578 } $Leader_Info 21 { Num_Members = 21 Total_Energy = 98.558 vdW = -24.586 Coulomb = -31.937 Internal = 155.082 rmsd = 3.459 } $Leader_Info 22 { Num_Members = 42 Total_Energy = 103.804 vdW = -16.945 Coulomb = -29.498 Internal = 150.247 rmsd = 1.971 } $Leader_Info 23 { Num_Members = 45 Total_Energy = 105.761 vdW = -24.184 Coulomb = -24.740 Internal = 154.686 rmsd = 11.509 } $Leader_Info 24 { Num_Members = 1 Total_Energy = 106.067 vdW = -20.220 Coulomb = -27.344 Internal = 153.631 rmsd = 1.275 } $Leader_Info 25 { Num_Members = 7 Total_Energy = 107.670 vdW = -20.913 Coulomb = -23.166 Internal = 151.749 rmsd = 1.620 } $Leader_Info 26 { Num_Members = 47 Total_Energy = 107.744 vdW = -22.168 Coulomb = -14.000 Internal = 143.913 rmsd = 3.634 } $Leader_Info 27 { Num_Members = 37 Total_Energy = 108.359 vdW = -10.727 Coulomb = -32.314 Internal = 151.399 rmsd = 2.932 } $Leader_Info 28 { Num_Members = 12 Total_Energy = 108.768 vdW = -15.820 Coulomb = -26.744 Internal = 151.332 rmsd = 3.542 } $Leader_Info 29 { Num_Members = 28 Total_Energy = 109.506 vdW = -12.864 Coulomb = -35.642 Internal = 158.011 rmsd = 2.863 } $Leader_Info 30 { Num_Members = 36 Total_Energy = 109.553 vdW = -25.094 Coulomb = -20.825 Internal = 155.471 rmsd = 11.153 } $Leader_Info 31 { Num_Members = 40 Total_Energy = 109.567 vdW = -13.294 Coulomb = -26.926 Internal = 149.787 rmsd = 4.461 } $Leader_Info 32 { Num_Members = 18 Total_Energy = 110.901 vdW = -15.816 Coulomb = -35.164 Internal = 161.881 rmsd = 2.637 } $Leader_Info 33 { Num_Members = 1 Total_Energy = 113.830 vdW = -17.332 Coulomb = -23.607 Internal = 154.769 rmsd = 4.068 } $Leader_Info 34 { Num_Members = 15 Total_Energy = 114.962 vdW = -19.130 Coulomb = -13.171 Internal = 147.263 rmsd = 3.860 } $Leader_Info 35 { Num_Members = 27 Total_Energy = 121.069 vdW = -23.260 Coulomb = -7.344 Internal = 151.673 rmsd = 2.487 } $Leader_Info 36 { Num_Members = 5 Total_Energy = 122.601 vdW = -15.557 Coulomb = -26.066 Internal = 164.224 rmsd = 3.459 }