$Number_of_Clusters = 38 $Seed = -1985 $Leader_Info 1 { Num_Members = 37 Total_Energy = 71.038 vdW = -27.932 Coulomb = -32.150 Internal = 131.119 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 38 Total_Energy = 71.241 vdW = -29.223 Coulomb = -34.039 Internal = 134.503 rmsd = 1.335 } $Leader_Info 3 { Num_Members = 28 Total_Energy = 72.469 vdW = -29.055 Coulomb = -34.859 Internal = 136.383 rmsd = 1.932 } $Leader_Info 4 { Num_Members = 35 Total_Energy = 73.230 vdW = -27.934 Coulomb = -35.172 Internal = 136.337 rmsd = 1.498 } $Leader_Info 5 { Num_Members = 41 Total_Energy = 79.636 vdW = -28.391 Coulomb = -33.284 Internal = 141.311 rmsd = 2.066 } $Leader_Info 6 { Num_Members = 29 Total_Energy = 81.399 vdW = -21.216 Coulomb = -33.270 Internal = 135.885 rmsd = 1.386 } $Leader_Info 7 { Num_Members = 43 Total_Energy = 82.085 vdW = -23.992 Coulomb = -36.339 Internal = 142.416 rmsd = 3.294 } $Leader_Info 8 { Num_Members = 34 Total_Energy = 82.088 vdW = -23.622 Coulomb = -33.886 Internal = 139.595 rmsd = 3.601 } $Leader_Info 9 { Num_Members = 37 Total_Energy = 82.798 vdW = -23.047 Coulomb = -36.642 Internal = 142.488 rmsd = 3.500 } $Leader_Info 10 { Num_Members = 3 Total_Energy = 87.636 vdW = -26.277 Coulomb = -27.139 Internal = 141.052 rmsd = 1.811 } $Leader_Info 11 { Num_Members = 45 Total_Energy = 88.148 vdW = -22.525 Coulomb = -35.184 Internal = 145.856 rmsd = 2.736 } $Leader_Info 12 { Num_Members = 35 Total_Energy = 88.269 vdW = -26.843 Coulomb = -34.772 Internal = 149.883 rmsd = 3.289 } $Leader_Info 13 { Num_Members = 37 Total_Energy = 89.999 vdW = -24.645 Coulomb = -31.584 Internal = 146.228 rmsd = 2.443 } $Leader_Info 14 { Num_Members = 1 Total_Energy = 90.815 vdW = -19.655 Coulomb = -37.651 Internal = 148.121 rmsd = 3.432 } $Leader_Info 15 { Num_Members = 47 Total_Energy = 90.866 vdW = -22.483 Coulomb = -32.760 Internal = 146.108 rmsd = 2.134 } $Leader_Info 16 { Num_Members = 2 Total_Energy = 93.366 vdW = -14.398 Coulomb = -36.237 Internal = 144.001 rmsd = 2.260 } $Leader_Info 17 { Num_Members = 39 Total_Energy = 93.732 vdW = -12.904 Coulomb = -36.362 Internal = 142.998 rmsd = 2.417 } $Leader_Info 18 { Num_Members = 23 Total_Energy = 94.732 vdW = -26.783 Coulomb = -32.589 Internal = 154.103 rmsd = 2.226 } $Leader_Info 19 { Num_Members = 30 Total_Energy = 95.402 vdW = -12.808 Coulomb = -32.233 Internal = 140.443 rmsd = 3.960 } $Leader_Info 20 { Num_Members = 9 Total_Energy = 98.719 vdW = -17.852 Coulomb = -34.932 Internal = 151.503 rmsd = 3.507 } $Leader_Info 21 { Num_Members = 27 Total_Energy = 99.086 vdW = -17.648 Coulomb = -33.952 Internal = 150.687 rmsd = 3.686 } $Leader_Info 22 { Num_Members = 27 Total_Energy = 99.274 vdW = -18.763 Coulomb = -33.952 Internal = 151.988 rmsd = 3.670 } $Leader_Info 23 { Num_Members = 46 Total_Energy = 103.431 vdW = -9.562 Coulomb = -29.798 Internal = 142.791 rmsd = 2.495 } $Leader_Info 24 { Num_Members = 44 Total_Energy = 104.724 vdW = -14.738 Coulomb = -32.532 Internal = 151.995 rmsd = 2.117 } $Leader_Info 25 { Num_Members = 3 Total_Energy = 104.757 vdW = -19.643 Coulomb = -32.559 Internal = 156.959 rmsd = 3.813 } $Leader_Info 26 { Num_Members = 44 Total_Energy = 104.962 vdW = -23.147 Coulomb = -31.173 Internal = 159.282 rmsd = 3.231 } $Leader_Info 27 { Num_Members = 16 Total_Energy = 105.165 vdW = -8.903 Coulomb = -29.853 Internal = 143.921 rmsd = 3.565 } $Leader_Info 28 { Num_Members = 20 Total_Energy = 107.113 vdW = -13.971 Coulomb = -20.832 Internal = 141.916 rmsd = 2.091 } $Leader_Info 29 { Num_Members = 24 Total_Energy = 108.215 vdW = -22.657 Coulomb = -26.213 Internal = 157.086 rmsd = 2.137 } $Leader_Info 30 { Num_Members = 4 Total_Energy = 109.814 vdW = -8.198 Coulomb = -39.009 Internal = 157.022 rmsd = 3.815 } $Leader_Info 31 { Num_Members = 5 Total_Energy = 110.482 vdW = -28.141 Coulomb = -6.158 Internal = 144.782 rmsd = 3.575 } $Leader_Info 32 { Num_Members = 13 Total_Energy = 110.896 vdW = -19.887 Coulomb = -29.305 Internal = 160.088 rmsd = 1.592 } $Leader_Info 33 { Num_Members = 40 Total_Energy = 112.501 vdW = -12.134 Coulomb = -25.789 Internal = 150.424 rmsd = 4.248 } $Leader_Info 34 { Num_Members = 2 Total_Energy = 112.636 vdW = -15.297 Coulomb = -22.591 Internal = 150.524 rmsd = 3.469 } $Leader_Info 35 { Num_Members = 29 Total_Energy = 113.953 vdW = -17.923 Coulomb = -29.839 Internal = 161.715 rmsd = 4.150 } $Leader_Info 36 { Num_Members = 17 Total_Energy = 114.736 vdW = -14.519 Coulomb = -16.501 Internal = 145.755 rmsd = 3.700 } $Leader_Info 37 { Num_Members = 26 Total_Energy = 116.217 vdW = -15.466 Coulomb = -11.427 Internal = 143.110 rmsd = 3.822 } $Leader_Info 38 { Num_Members = 20 Total_Energy = 117.161 vdW = -19.706 Coulomb = -11.292 Internal = 148.159 rmsd = 10.747 }