$Number_of_Clusters = 36 $Seed = -1985 $Leader_Info 1 { Num_Members = 36 Total_Energy = 81.137 vdW = -23.692 Coulomb = -29.688 Internal = 134.517 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 31 Total_Energy = 81.167 vdW = -25.543 Coulomb = -34.082 Internal = 140.791 rmsd = 3.052 } $Leader_Info 3 { Num_Members = 53 Total_Energy = 82.199 vdW = -27.529 Coulomb = -36.449 Internal = 146.177 rmsd = 3.088 } $Leader_Info 4 { Num_Members = 41 Total_Energy = 83.620 vdW = -26.037 Coulomb = -35.333 Internal = 144.991 rmsd = 1.155 } $Leader_Info 5 { Num_Members = 44 Total_Energy = 85.090 vdW = -28.137 Coulomb = -29.644 Internal = 142.872 rmsd = 3.346 } $Leader_Info 6 { Num_Members = 42 Total_Energy = 85.884 vdW = -22.350 Coulomb = -37.474 Internal = 145.707 rmsd = 2.136 } $Leader_Info 7 { Num_Members = 40 Total_Energy = 87.789 vdW = -22.671 Coulomb = -35.240 Internal = 145.701 rmsd = 3.639 } $Leader_Info 8 { Num_Members = 39 Total_Energy = 90.251 vdW = -20.155 Coulomb = -35.348 Internal = 145.754 rmsd = 1.357 } $Leader_Info 9 { Num_Members = 43 Total_Energy = 90.943 vdW = -18.564 Coulomb = -32.235 Internal = 141.742 rmsd = 2.912 } $Leader_Info 10 { Num_Members = 71 Total_Energy = 93.715 vdW = -21.138 Coulomb = -34.706 Internal = 149.558 rmsd = 2.224 } $Leader_Info 11 { Num_Members = 22 Total_Energy = 93.905 vdW = -19.802 Coulomb = -41.083 Internal = 154.791 rmsd = 2.976 } $Leader_Info 12 { Num_Members = 43 Total_Energy = 95.797 vdW = -21.013 Coulomb = -29.293 Internal = 146.102 rmsd = 1.870 } $Leader_Info 13 { Num_Members = 45 Total_Energy = 95.860 vdW = -18.935 Coulomb = -26.249 Internal = 141.044 rmsd = 3.513 } $Leader_Info 14 { Num_Members = 20 Total_Energy = 96.219 vdW = -12.821 Coulomb = -37.664 Internal = 146.705 rmsd = 3.488 } $Leader_Info 15 { Num_Members = 27 Total_Energy = 97.840 vdW = -16.428 Coulomb = -34.496 Internal = 148.765 rmsd = 2.374 } $Leader_Info 16 { Num_Members = 40 Total_Energy = 98.179 vdW = -18.647 Coulomb = -21.644 Internal = 138.470 rmsd = 2.823 } $Leader_Info 17 { Num_Members = 35 Total_Energy = 98.277 vdW = -22.731 Coulomb = -30.207 Internal = 151.214 rmsd = 1.652 } $Leader_Info 18 { Num_Members = 42 Total_Energy = 98.445 vdW = -25.126 Coulomb = -25.256 Internal = 148.827 rmsd = 11.547 } $Leader_Info 19 { Num_Members = 13 Total_Energy = 98.577 vdW = -25.003 Coulomb = -32.655 Internal = 156.235 rmsd = 1.736 } $Leader_Info 20 { Num_Members = 27 Total_Energy = 98.671 vdW = -17.079 Coulomb = -29.570 Internal = 145.320 rmsd = 2.014 } $Leader_Info 21 { Num_Members = 30 Total_Energy = 99.760 vdW = -13.649 Coulomb = -29.311 Internal = 142.719 rmsd = 3.397 } $Leader_Info 22 { Num_Members = 3 Total_Energy = 100.746 vdW = -25.603 Coulomb = -30.746 Internal = 157.095 rmsd = 2.302 } $Leader_Info 23 { Num_Members = 22 Total_Energy = 101.092 vdW = -19.611 Coulomb = -29.229 Internal = 149.933 rmsd = 1.474 } $Leader_Info 24 { Num_Members = 10 Total_Energy = 101.741 vdW = -11.781 Coulomb = -32.302 Internal = 145.824 rmsd = 3.298 } $Leader_Info 25 { Num_Members = 4 Total_Energy = 102.762 vdW = -13.036 Coulomb = -29.127 Internal = 144.925 rmsd = 2.459 } $Leader_Info 26 { Num_Members = 1 Total_Energy = 105.315 vdW = -19.924 Coulomb = -15.951 Internal = 141.191 rmsd = 3.357 } $Leader_Info 27 { Num_Members = 1 Total_Energy = 105.875 vdW = -10.554 Coulomb = -32.613 Internal = 149.042 rmsd = 3.136 } $Leader_Info 28 { Num_Members = 25 Total_Energy = 108.969 vdW = -14.103 Coulomb = -13.961 Internal = 137.034 rmsd = 3.166 } $Leader_Info 29 { Num_Members = 36 Total_Energy = 111.133 vdW = -14.247 Coulomb = -25.580 Internal = 150.960 rmsd = 2.844 } $Leader_Info 30 { Num_Members = 6 Total_Energy = 111.188 vdW = -22.108 Coulomb = -10.565 Internal = 143.861 rmsd = 2.995 } $Leader_Info 31 { Num_Members = 14 Total_Energy = 111.728 vdW = -6.396 Coulomb = -30.143 Internal = 148.267 rmsd = 3.593 } $Leader_Info 32 { Num_Members = 32 Total_Energy = 111.773 vdW = -24.289 Coulomb = -12.226 Internal = 148.288 rmsd = 11.217 } $Leader_Info 33 { Num_Members = 20 Total_Energy = 113.757 vdW = -29.999 Coulomb = -7.470 Internal = 151.226 rmsd = 1.787 } $Leader_Info 34 { Num_Members = 18 Total_Energy = 115.274 vdW = -7.049 Coulomb = -28.510 Internal = 150.833 rmsd = 3.976 } $Leader_Info 35 { Num_Members = 19 Total_Energy = 116.239 vdW = -23.228 Coulomb = -5.734 Internal = 145.201 rmsd = 2.134 } $Leader_Info 36 { Num_Members = 5 Total_Energy = 118.126 vdW = -15.644 Coulomb = -13.624 Internal = 147.394 rmsd = 3.141 }