$Number_of_Clusters = 35 $Seed = -1985 $Leader_Info 1 { Num_Members = 27 Total_Energy = 77.664 vdW = -26.959 Coulomb = -33.814 Internal = 138.437 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 45 Total_Energy = 78.522 vdW = -23.359 Coulomb = -37.562 Internal = 139.444 rmsd = 3.211 } $Leader_Info 3 { Num_Members = 56 Total_Energy = 81.909 vdW = -24.064 Coulomb = -29.493 Internal = 135.466 rmsd = 1.516 } $Leader_Info 4 { Num_Members = 23 Total_Energy = 83.618 vdW = -26.114 Coulomb = -33.137 Internal = 142.868 rmsd = 1.006 } $Leader_Info 5 { Num_Members = 38 Total_Energy = 85.739 vdW = -28.504 Coulomb = -37.690 Internal = 151.932 rmsd = 3.268 } $Leader_Info 6 { Num_Members = 43 Total_Energy = 89.896 vdW = -21.934 Coulomb = -31.317 Internal = 143.146 rmsd = 3.466 } $Leader_Info 7 { Num_Members = 41 Total_Energy = 90.081 vdW = -23.532 Coulomb = -39.391 Internal = 153.004 rmsd = 2.641 } $Leader_Info 8 { Num_Members = 44 Total_Energy = 91.053 vdW = -26.999 Coulomb = -33.028 Internal = 151.080 rmsd = 2.125 } $Leader_Info 9 { Num_Members = 48 Total_Energy = 91.193 vdW = -26.082 Coulomb = -34.074 Internal = 151.350 rmsd = 3.123 } $Leader_Info 10 { Num_Members = 28 Total_Energy = 91.841 vdW = -25.279 Coulomb = -37.022 Internal = 154.143 rmsd = 3.013 } $Leader_Info 11 { Num_Members = 16 Total_Energy = 92.467 vdW = -19.280 Coulomb = -30.833 Internal = 142.581 rmsd = 3.543 } $Leader_Info 12 { Num_Members = 14 Total_Energy = 94.942 vdW = -21.188 Coulomb = -30.712 Internal = 146.842 rmsd = 1.813 } $Leader_Info 13 { Num_Members = 47 Total_Energy = 95.146 vdW = -23.849 Coulomb = -30.637 Internal = 149.631 rmsd = 2.493 } $Leader_Info 14 { Num_Members = 26 Total_Energy = 95.881 vdW = -25.291 Coulomb = -35.656 Internal = 156.828 rmsd = 2.911 } $Leader_Info 15 { Num_Members = 1 Total_Energy = 98.332 vdW = -19.717 Coulomb = -37.606 Internal = 155.655 rmsd = 3.019 } $Leader_Info 16 { Num_Members = 29 Total_Energy = 99.794 vdW = -0.659 Coulomb = -37.034 Internal = 137.487 rmsd = 3.874 } $Leader_Info 17 { Num_Members = 46 Total_Energy = 99.903 vdW = -21.368 Coulomb = -34.532 Internal = 155.803 rmsd = 1.672 } $Leader_Info 18 { Num_Members = 46 Total_Energy = 100.460 vdW = -27.128 Coulomb = -19.202 Internal = 146.791 rmsd = 11.508 } $Leader_Info 19 { Num_Members = 22 Total_Energy = 101.570 vdW = -14.999 Coulomb = -23.760 Internal = 140.329 rmsd = 3.098 } $Leader_Info 20 { Num_Members = 18 Total_Energy = 102.252 vdW = -18.675 Coulomb = -28.281 Internal = 149.208 rmsd = 1.649 } $Leader_Info 21 { Num_Members = 10 Total_Energy = 102.575 vdW = -25.399 Coulomb = -32.924 Internal = 160.899 rmsd = 1.664 } $Leader_Info 22 { Num_Members = 30 Total_Energy = 104.498 vdW = -19.674 Coulomb = -31.060 Internal = 155.232 rmsd = 1.974 } $Leader_Info 23 { Num_Members = 1 Total_Energy = 105.886 vdW = -15.896 Coulomb = -30.145 Internal = 151.927 rmsd = 3.124 } $Leader_Info 24 { Num_Members = 8 Total_Energy = 110.389 vdW = -22.884 Coulomb = -12.171 Internal = 145.444 rmsd = 3.588 } $Leader_Info 25 { Num_Members = 1 Total_Energy = 113.560 vdW = -17.662 Coulomb = -28.451 Internal = 159.673 rmsd = 3.108 } $Leader_Info 26 { Num_Members = 43 Total_Energy = 116.594 vdW = -17.138 Coulomb = -15.163 Internal = 148.895 rmsd = 3.776 } $Leader_Info 27 { Num_Members = 42 Total_Energy = 118.227 vdW = -14.562 Coulomb = -29.398 Internal = 162.187 rmsd = 2.721 } $Leader_Info 28 { Num_Members = 39 Total_Energy = 119.584 vdW = -3.642 Coulomb = -38.523 Internal = 161.749 rmsd = 3.724 } $Leader_Info 29 { Num_Members = 30 Total_Energy = 120.469 vdW = -18.599 Coulomb = -18.107 Internal = 157.174 rmsd = 3.230 } $Leader_Info 30 { Num_Members = 27 Total_Energy = 122.603 vdW = -16.868 Coulomb = -26.335 Internal = 165.806 rmsd = 2.013 } $Leader_Info 31 { Num_Members = 35 Total_Energy = 123.040 vdW = -17.752 Coulomb = -34.300 Internal = 175.092 rmsd = 3.122 } $Leader_Info 32 { Num_Members = 37 Total_Energy = 124.343 vdW = 5.766 Coulomb = -24.771 Internal = 143.348 rmsd = 4.762 } $Leader_Info 33 { Num_Members = 20 Total_Energy = 124.499 vdW = -19.296 Coulomb = -22.938 Internal = 166.733 rmsd = 3.286 } $Leader_Info 34 { Num_Members = 15 Total_Energy = 125.913 vdW = -9.289 Coulomb = -19.903 Internal = 155.105 rmsd = 3.966 } $Leader_Info 35 { Num_Members = 4 Total_Energy = 127.747 vdW = -20.111 Coulomb = -8.767 Internal = 156.625 rmsd = 2.682 }