$Number_of_Clusters = 39 $Seed = -1985 $Leader_Info 1 { Num_Members = 12 Total_Energy = 76.326 vdW = -24.121 Coulomb = -37.498 Internal = 137.946 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 27 Total_Energy = 76.924 vdW = -27.390 Coulomb = -32.293 Internal = 136.608 rmsd = 1.099 } $Leader_Info 3 { Num_Members = 46 Total_Energy = 78.943 vdW = -25.696 Coulomb = -35.167 Internal = 139.806 rmsd = 1.448 } $Leader_Info 4 { Num_Members = 28 Total_Energy = 79.730 vdW = -28.476 Coulomb = -28.394 Internal = 136.600 rmsd = 1.104 } $Leader_Info 5 { Num_Members = 37 Total_Energy = 80.615 vdW = -25.662 Coulomb = -33.458 Internal = 139.735 rmsd = 3.290 } $Leader_Info 6 { Num_Members = 7 Total_Energy = 80.682 vdW = -26.362 Coulomb = -29.951 Internal = 136.996 rmsd = 1.582 } $Leader_Info 7 { Num_Members = 47 Total_Energy = 84.537 vdW = -22.666 Coulomb = -32.661 Internal = 139.864 rmsd = 3.101 } $Leader_Info 8 { Num_Members = 46 Total_Energy = 86.036 vdW = -21.755 Coulomb = -37.734 Internal = 145.525 rmsd = 2.317 } $Leader_Info 9 { Num_Members = 15 Total_Energy = 86.364 vdW = -21.618 Coulomb = -34.660 Internal = 142.641 rmsd = 3.393 } $Leader_Info 10 { Num_Members = 44 Total_Energy = 86.969 vdW = -25.687 Coulomb = -32.551 Internal = 145.207 rmsd = 3.014 } $Leader_Info 11 { Num_Members = 21 Total_Energy = 87.346 vdW = -25.604 Coulomb = -36.494 Internal = 149.443 rmsd = 3.015 } $Leader_Info 12 { Num_Members = 41 Total_Energy = 87.635 vdW = -20.466 Coulomb = -29.596 Internal = 137.697 rmsd = 3.345 } $Leader_Info 13 { Num_Members = 18 Total_Energy = 89.270 vdW = -22.852 Coulomb = -35.044 Internal = 147.166 rmsd = 1.017 } $Leader_Info 14 { Num_Members = 43 Total_Energy = 91.168 vdW = -20.634 Coulomb = -30.472 Internal = 142.274 rmsd = 4.265 } $Leader_Info 15 { Num_Members = 24 Total_Energy = 91.250 vdW = -24.630 Coulomb = -25.964 Internal = 141.844 rmsd = 3.363 } $Leader_Info 16 { Num_Members = 12 Total_Energy = 91.578 vdW = -20.652 Coulomb = -32.656 Internal = 144.885 rmsd = 1.537 } $Leader_Info 17 { Num_Members = 42 Total_Energy = 92.520 vdW = -13.200 Coulomb = -33.646 Internal = 139.366 rmsd = 3.006 } $Leader_Info 18 { Num_Members = 46 Total_Energy = 92.889 vdW = -19.200 Coulomb = -32.403 Internal = 144.492 rmsd = 3.261 } $Leader_Info 19 { Num_Members = 4 Total_Energy = 93.181 vdW = -19.361 Coulomb = -29.823 Internal = 142.365 rmsd = 3.090 } $Leader_Info 20 { Num_Members = 36 Total_Energy = 93.221 vdW = -24.696 Coulomb = -39.057 Internal = 156.974 rmsd = 2.163 } $Leader_Info 21 { Num_Members = 9 Total_Energy = 95.680 vdW = -8.135 Coulomb = -36.453 Internal = 140.269 rmsd = 2.635 } $Leader_Info 22 { Num_Members = 44 Total_Energy = 96.311 vdW = -22.372 Coulomb = -34.279 Internal = 152.962 rmsd = 1.855 } $Leader_Info 23 { Num_Members = 2 Total_Energy = 97.098 vdW = -25.681 Coulomb = -28.874 Internal = 151.653 rmsd = 3.614 } $Leader_Info 24 { Num_Members = 7 Total_Energy = 98.071 vdW = -21.188 Coulomb = -36.879 Internal = 156.137 rmsd = 3.113 } $Leader_Info 25 { Num_Members = 14 Total_Energy = 99.691 vdW = -17.009 Coulomb = -35.450 Internal = 152.150 rmsd = 3.369 } $Leader_Info 26 { Num_Members = 15 Total_Energy = 99.959 vdW = -19.420 Coulomb = -19.760 Internal = 139.139 rmsd = 3.357 } $Leader_Info 27 { Num_Members = 23 Total_Energy = 100.907 vdW = -24.056 Coulomb = -24.779 Internal = 149.742 rmsd = 1.764 } $Leader_Info 28 { Num_Members = 12 Total_Energy = 101.397 vdW = -19.189 Coulomb = -27.634 Internal = 148.220 rmsd = 3.713 } $Leader_Info 29 { Num_Members = 35 Total_Energy = 101.662 vdW = -3.679 Coulomb = -35.053 Internal = 140.393 rmsd = 1.948 } $Leader_Info 30 { Num_Members = 37 Total_Energy = 102.423 vdW = -17.273 Coulomb = -30.103 Internal = 149.800 rmsd = 3.403 } $Leader_Info 31 { Num_Members = 10 Total_Energy = 103.515 vdW = -7.468 Coulomb = -31.273 Internal = 142.257 rmsd = 3.499 } $Leader_Info 32 { Num_Members = 10 Total_Energy = 103.830 vdW = -16.138 Coulomb = -31.907 Internal = 151.874 rmsd = 3.526 } $Leader_Info 33 { Num_Members = 36 Total_Energy = 105.181 vdW = -8.717 Coulomb = -34.108 Internal = 148.007 rmsd = 2.059 } $Leader_Info 34 { Num_Members = 47 Total_Energy = 105.408 vdW = -18.151 Coulomb = -27.243 Internal = 150.802 rmsd = 11.551 } $Leader_Info 35 { Num_Members = 33 Total_Energy = 110.717 vdW = 2.999 Coulomb = -34.815 Internal = 142.534 rmsd = 3.714 } $Leader_Info 36 { Num_Members = 3 Total_Energy = 110.827 vdW = -17.265 Coulomb = -24.852 Internal = 152.944 rmsd = 3.093 } $Leader_Info 37 { Num_Members = 37 Total_Energy = 114.856 vdW = -13.423 Coulomb = -22.708 Internal = 150.987 rmsd = 2.858 } $Leader_Info 38 { Num_Members = 28 Total_Energy = 114.879 vdW = -18.514 Coulomb = -25.795 Internal = 159.187 rmsd = 2.642 } $Leader_Info 39 { Num_Members = 2 Total_Energy = 117.027 vdW = -16.411 Coulomb = -22.952 Internal = 156.390 rmsd = 2.451 }