$Number_of_Clusters = 36 $Seed = -1985 $Leader_Info 1 { Num_Members = 35 Total_Energy = 75.174 vdW = -28.462 Coulomb = -33.366 Internal = 137.002 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 55 Total_Energy = 75.686 vdW = -29.478 Coulomb = -29.887 Internal = 135.051 rmsd = 11.713 } $Leader_Info 3 { Num_Members = 32 Total_Energy = 76.488 vdW = -29.260 Coulomb = -35.081 Internal = 140.829 rmsd = 1.091 } $Leader_Info 4 { Num_Members = 59 Total_Energy = 78.957 vdW = -23.585 Coulomb = -35.423 Internal = 137.965 rmsd = 2.789 } $Leader_Info 5 { Num_Members = 44 Total_Energy = 81.488 vdW = -25.415 Coulomb = -34.105 Internal = 141.008 rmsd = 3.110 } $Leader_Info 6 { Num_Members = 16 Total_Energy = 82.120 vdW = -24.522 Coulomb = -36.528 Internal = 143.170 rmsd = 1.597 } $Leader_Info 7 { Num_Members = 37 Total_Energy = 83.710 vdW = -24.478 Coulomb = -31.843 Internal = 140.031 rmsd = 1.352 } $Leader_Info 8 { Num_Members = 45 Total_Energy = 84.881 vdW = -25.298 Coulomb = -32.959 Internal = 143.138 rmsd = 3.065 } $Leader_Info 9 { Num_Members = 44 Total_Energy = 86.787 vdW = -22.370 Coulomb = -37.504 Internal = 146.660 rmsd = 2.604 } $Leader_Info 10 { Num_Members = 34 Total_Energy = 87.044 vdW = -27.513 Coulomb = -30.513 Internal = 145.070 rmsd = 1.457 } $Leader_Info 11 { Num_Members = 16 Total_Energy = 89.317 vdW = -21.015 Coulomb = -35.984 Internal = 146.316 rmsd = 3.019 } $Leader_Info 12 { Num_Members = 44 Total_Energy = 89.347 vdW = -19.661 Coulomb = -34.157 Internal = 143.165 rmsd = 3.756 } $Leader_Info 13 { Num_Members = 38 Total_Energy = 89.975 vdW = -22.983 Coulomb = -35.331 Internal = 148.290 rmsd = 1.871 } $Leader_Info 14 { Num_Members = 26 Total_Energy = 90.175 vdW = -25.466 Coulomb = -36.296 Internal = 151.937 rmsd = 2.215 } $Leader_Info 15 { Num_Members = 40 Total_Energy = 92.149 vdW = -20.902 Coulomb = -38.014 Internal = 151.064 rmsd = 2.821 } $Leader_Info 16 { Num_Members = 37 Total_Energy = 92.361 vdW = -16.449 Coulomb = -30.999 Internal = 139.809 rmsd = 1.666 } $Leader_Info 17 { Num_Members = 43 Total_Energy = 96.110 vdW = -23.635 Coulomb = -33.416 Internal = 153.161 rmsd = 2.381 } $Leader_Info 18 { Num_Members = 14 Total_Energy = 96.631 vdW = -20.863 Coulomb = -32.580 Internal = 150.074 rmsd = 2.625 } $Leader_Info 19 { Num_Members = 23 Total_Energy = 97.461 vdW = -24.173 Coulomb = -29.635 Internal = 151.269 rmsd = 1.748 } $Leader_Info 20 { Num_Members = 24 Total_Energy = 98.484 vdW = -12.098 Coulomb = -35.012 Internal = 145.594 rmsd = 3.320 } $Leader_Info 21 { Num_Members = 20 Total_Energy = 99.488 vdW = -22.474 Coulomb = -39.104 Internal = 161.065 rmsd = 2.745 } $Leader_Info 22 { Num_Members = 1 Total_Energy = 99.491 vdW = -17.496 Coulomb = -22.637 Internal = 139.624 rmsd = 3.560 } $Leader_Info 23 { Num_Members = 6 Total_Energy = 99.551 vdW = -17.637 Coulomb = -25.814 Internal = 143.003 rmsd = 3.005 } $Leader_Info 24 { Num_Members = 9 Total_Energy = 99.686 vdW = -25.481 Coulomb = -18.024 Internal = 143.191 rmsd = 11.576 } $Leader_Info 25 { Num_Members = 43 Total_Energy = 99.904 vdW = -3.870 Coulomb = -35.734 Internal = 139.508 rmsd = 2.733 } $Leader_Info 26 { Num_Members = 9 Total_Energy = 102.992 vdW = -24.785 Coulomb = -26.369 Internal = 154.146 rmsd = 2.366 } $Leader_Info 27 { Num_Members = 27 Total_Energy = 103.377 vdW = -19.282 Coulomb = -32.212 Internal = 154.871 rmsd = 2.950 } $Leader_Info 28 { Num_Members = 47 Total_Energy = 104.066 vdW = -24.282 Coulomb = -24.056 Internal = 152.405 rmsd = 11.326 } $Leader_Info 29 { Num_Members = 25 Total_Energy = 105.044 vdW = -9.032 Coulomb = -27.786 Internal = 141.863 rmsd = 2.303 } $Leader_Info 30 { Num_Members = 37 Total_Energy = 107.833 vdW = -16.761 Coulomb = -31.552 Internal = 156.145 rmsd = 11.391 } $Leader_Info 31 { Num_Members = 12 Total_Energy = 108.418 vdW = -16.791 Coulomb = -37.628 Internal = 162.837 rmsd = 2.366 } $Leader_Info 32 { Num_Members = 7 Total_Energy = 109.622 vdW = -6.763 Coulomb = -33.627 Internal = 150.011 rmsd = 3.134 } $Leader_Info 33 { Num_Members = 25 Total_Energy = 113.540 vdW = -27.519 Coulomb = -12.787 Internal = 153.846 rmsd = 3.108 } $Leader_Info 34 { Num_Members = 3 Total_Energy = 113.804 vdW = -15.023 Coulomb = -24.024 Internal = 152.851 rmsd = 3.028 } $Leader_Info 35 { Num_Members = 11 Total_Energy = 115.258 vdW = -9.054 Coulomb = -33.367 Internal = 157.680 rmsd = 3.519 } $Leader_Info 36 { Num_Members = 12 Total_Energy = 117.612 vdW = -14.046 Coulomb = -29.354 Internal = 161.012 rmsd = 3.435 }