diff --git a/biskit/testdata/dock/hex/1A2P-1A19_hex.out b/biskit/testdata/dock/hex/1A2P-1A19_hex5.out similarity index 100% rename from biskit/testdata/dock/hex/1A2P-1A19_hex.out rename to biskit/testdata/dock/hex/1A2P-1A19_hex5.out diff --git a/biskit/testdata/dock/hex/1A2P-1A19_hex8.out b/biskit/testdata/dock/hex/1A2P-1A19_hex8.out new file mode 100644 index 0000000..e3d558f --- /dev/null +++ b/biskit/testdata/dock/hex/1A2P-1A19_hex8.out @@ -0,0 +1,12295 @@ +# Docking file generated by Hex 8.0.0 on Thu Aug 2 18:53:09 2018. + +# ReceptorSourceFile: /private/var/folders/ms/shnycqws18gc35q6_xzrtn_w0000gn/T/tmpzt9kt_94_test_docker_0802/rec/1A2P_001_hex.pdb +# LigandSourceFile: /private/var/folders/ms/shnycqws18gc35q6_xzrtn_w0000gn/T/tmpzt9kt_94_test_docker_0802/lig/1A19_001_hex.pdb +# ComplexSourceFile: None +# ----------------------------------------------------------- +# +Orientation: 1 +Solution: 1 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.442440e-01 5.334375e-01 -5.192881e-02 -9.861625e+01 + -5.334469e-01 8.269632e-01 -1.776690e-01 7.570898e+01 + -5.183206e-02 1.776972e-01 9.827193e-01 4.212520e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 2 +Solution: 2 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.997455e-01 1.445116e-02 1.732324e-02 -8.317237e+01 + -2.135941e-02 8.534656e-01 5.207112e-01 2.459241e+01 + -7.259915e-03 -5.209487e-01 8.535571e-01 7.886069e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 2 +Solution: 3 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.901843e-01 1.309529e-01 4.885042e-02 -8.913591e+01 + -1.395612e-01 9.073696e-01 3.964885e-01 3.279426e+01 + 7.595936e-03 -3.994143e-01 9.167391e-01 7.024746e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 3 +Solution: 4 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.685518e-01 2.432304e-01 5.240534e-02 -9.364715e+01 + -2.485761e-01 9.367608e-01 2.463517e-01 4.165503e+01 + 1.082896e-02 -2.516312e-01 9.677626e-01 6.122903e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 3 +Solution: 5 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.400516e-01 3.395767e-01 3.147275e-02 -9.652061e+01 + -3.410231e-01 9.366865e-01 7.950938e-02 5.074940e+01 + -2.480560e-03 -8.547585e-02 9.963372e-01 5.274946e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 1 +Solution: 6 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.113035e-01 4.117093e-01 -4.623777e-03 -9.791926e+01 + -4.103492e-01 9.072578e-01 -9.217870e-02 5.942649e+01 + -3.375587e-02 8.590014e-02 9.957317e-01 4.572346e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 1 +Solution: 7 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.879934e-01 4.577445e-01 -4.402065e-02 -9.829868e+01 + -4.527728e-01 8.535627e-01 -2.577354e-01 6.700609e+01 + -8.040256e-02 2.487987e-01 9.652122e-01 4.070655e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 2 +Solution: 8 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.960900e-01 -7.764918e-02 -4.213389e-02 -7.730661e+01 + 8.833967e-02 8.707474e-01 4.837303e-01 1.360606e+01 + -8.732937e-04 -4.855611e-01 8.742023e-01 7.615510e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 2 +Solution: 9 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.998232e-01 1.879762e-02 -5.423725e-04 -8.337010e+01 + -1.718384e-02 9.249441e-01 3.797144e-01 2.055345e+01 + 7.639391e-03 -3.796380e-01 9.251036e-01 6.907127e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 3 +Solution: 10 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.931621e-01 1.147459e-01 2.150526e-02 -8.838006e+01 + -1.164281e-01 9.599895e-01 2.546853e-01 2.810106e+01 + 8.579269e-03 -2.554476e-01 9.667848e-01 6.166046e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 3 +Solution: 11 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.788355e-01 2.031094e-01 2.505289e-02 -9.218176e+01 + -2.046450e-01 9.721833e-01 1.139299e-01 3.600721e+01 + -1.215781e-03 -1.166455e-01 9.931729e-01 5.444628e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 4 +Solution: 12 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.605158e-01 2.778617e-01 1.422485e-02 -9.477925e+01 + -2.772311e-01 9.601498e-01 -3.543009e-02 4.390283e+01 + -2.350265e-02 3.008759e-02 9.992709e-01 4.799403e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 1 +Solution: 13 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.419787e-01 3.356407e-01 -4.634805e-03 -9.634776e+01 + -3.306140e-01 9.253061e-01 -1.857498e-01 5.135063e+01 + -5.805658e-02 1.765047e-01 9.825861e-01 4.276843e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 5 +Solution: 14 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.806886e-01 -1.691522e-01 -9.817027e-02 -7.040422e+01 + 1.951740e-01 8.786067e-01 4.358411e-01 3.465863e+00 + 1.252958e-02 -4.465846e-01 8.946537e-01 7.259581e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 5 +Solution: 15 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.946419e-01 -9.018556e-02 -5.053853e-02 -7.641949e+01 + 1.021624e-01 9.322932e-01 3.469759e-01 9.237770e+00 + 1.582452e-02 -3.502799e-01 9.365114e-01 6.658002e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 6 +Solution: 16 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.998174e-01 -9.624699e-03 -1.650894e-02 -8.167149e+01 + 1.332624e-02 9.703453e-01 2.413555e-01 1.558597e+01 + 1.369640e-02 -2.415314e-01 9.702963e-01 6.037197e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 6 +Solution: 17 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.976636e-01 6.819435e-02 4.117180e-03 -8.604364e+01 + -6.818547e-02 9.901515e-01 1.222733e-01 2.235999e+01 + 4.261715e-03 -1.222683e-01 9.924879e-01 5.426884e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 4 +Solution: 18 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.901639e-01 1.392989e-01 1.309005e-02 -8.949501e+01 + -1.392319e-01 9.902422e-01 -5.899924e-03 2.934039e+01 + -1.378417e-02 4.019340e-03 9.998969e-01 4.860360e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 4 +Solution: 19 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.795410e-01 2.007913e-01 1.350330e-02 -9.207343e+01 + -1.970544e-01 9.706044e-01 -1.381904e-01 3.625671e+01 + -4.085378e-02 1.327022e-01 9.903136e-01 4.368951e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 7 +Solution: 20 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.678585e-01 2.513262e-01 9.226309e-03 -9.390451e+01 + -2.396187e-01 9.326715e-01 -2.696419e-01 4.282164e+01 + -7.637317e-02 2.587644e-01 9.629165e-01 3.976656e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 7 +Solution: 21 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.566602e-01 2.911766e-01 4.173756e-03 -9.515966e+01 + -2.658101e-01 8.789932e-01 -3.958736e-01 4.877006e+01 + -1.189378e-01 3.776071e-01 9.182955e-01 3.696922e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 8 +Solution: 22 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.403384e-01 -2.262166e-01 2.541450e-01 -6.458317e+01 + -2.235138e-01 1.524547e-01 9.627041e-01 8.226586e+01 + -2.565252e-01 -9.620726e-01 9.279649e-02 1.299399e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 9 +Solution: 23 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.678147e-01 -8.478956e-02 2.369503e-01 -7.523676e+01 + -1.930134e-01 3.541099e-01 9.150694e-01 6.795389e+01 + -1.614948e-01 -9.313522e-01 3.263472e-01 1.186080e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 10 +Solution: 24 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.273156e-01 -3.667666e-01 7.461958e-02 -5.464328e+01 + -8.408954e-02 -9.886159e-03 9.964092e-01 7.868687e+01 + -3.647119e-01 -9.302604e-01 -4.000883e-02 1.385253e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 9 +Solution: 25 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.837408e-01 -4.815269e-02 1.730183e-01 -7.860620e+01 + -1.303420e-01 4.713337e-01 8.722703e-01 5.554267e+01 + -1.235515e-01 -8.806394e-01 4.573939e-01 1.117313e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 8 +Solution: 26 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.648447e-01 -2.449860e-01 9.516594e-02 -6.521583e+01 + -4.523849e-02 2.018843e-01 9.783640e-01 6.291940e+01 + -2.588980e-01 -9.482745e-01 1.837042e-01 1.290513e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 10 +Solution: 27 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.118322e-01 -4.046259e-01 -6.957003e-02 -5.053575e+01 + 3.622715e-02 -8.949485e-02 9.953282e-01 7.220304e+01 + -4.089617e-01 -9.100926e-01 -6.694585e-02 1.415298e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 11 +Solution: 28 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.934299e-01 -5.686081e-02 9.931671e-02 -7.874498e+01 + -5.127624e-02 5.546951e-01 8.304722e-01 4.357509e+01 + -1.023118e-01 -8.301085e-01 5.481351e-01 1.065422e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 9 +Solution: 29 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.803176e-01 -1.893548e-01 5.587681e-02 -6.972584e+01 + 1.304966e-02 3.445543e-01 9.386757e-01 4.943004e+01 + -1.969954e-01 -9.194711e-01 3.402436e-01 1.211462e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 12 +Solution: 30 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.461534e-01 -3.202585e-01 -4.720535e-02 -5.865502e+01 + 8.440409e-02 1.032780e-01 9.910649e-01 5.662764e+01 + -3.125216e-01 -9.416837e-01 1.247480e-01 1.338141e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 13 +Solution: 31 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.924336e-01 -4.073973e-01 -1.938806e-01 -4.816418e+01 + 1.519150e-01 -1.332990e-01 9.793637e-01 6.412589e+01 + -4.248342e-01 -9.034705e-01 -5.707073e-02 1.425764e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 11 +Solution: 32 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.956863e-01 -8.958625e-02 2.414718e-02 -7.680458e+01 + 3.660650e-02 6.184391e-01 7.849796e-01 3.194181e+01 + -8.525694e-02 -7.807095e-01 6.190508e-01 1.018717e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 11 +Solution: 33 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.840243e-01 -1.779249e-01 -6.232864e-03 -7.051722e+01 + 8.656003e-02 4.475458e-01 8.900619e-01 3.686251e+01 + -1.555747e-01 -8.763821e-01 4.557971e-01 1.144426e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 12 +Solution: 34 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.589637e-01 -2.734944e-01 -7.476289e-02 -6.244670e+01 + 1.456197e-01 2.488385e-01 9.575355e-01 4.268029e+01 + -2.432767e-01 -9.291288e-01 2.784532e-01 1.261815e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 12 +Solution: 35 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.185093e-01 -3.522420e-01 -1.796282e-01 -5.380629e+01 + 2.065537e-01 4.007006e-02 9.776144e-01 4.906843e+01 + -3.371592e-01 -9.350508e-01 1.095616e-01 1.357534e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 13 +Solution: 36 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.659775e-01 -3.950683e-01 -3.066007e-01 -4.605474e+01 + 2.649058e-01 -1.576146e-01 9.513057e-01 5.521143e+01 + -4.241555e-01 -9.050297e-01 -3.183483e-02 1.425182e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 14 +Solution: 37 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.893303e-01 -1.370506e-01 -4.942402e-02 -7.322327e+01 + 1.291014e-01 6.674831e-01 7.333479e-01 2.075439e+01 + -6.751609e-02 -7.319040e-01 6.780546e-01 9.721289e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 14 +Solution: 38 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.778315e-01 -1.948892e-01 -7.657519e-02 -6.872587e+01 + 1.699455e-01 5.250025e-01 8.339609e-01 2.488686e+01 + -1.223278e-01 -8.284869e-01 5.464846e-01 1.082992e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 15 +Solution: 39 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.570345e-01 -2.603129e-01 -1.277586e-01 -6.285084e+01 + 2.188710e-01 3.594670e-01 9.071267e-01 2.970107e+01 + -1.902118e-01 -8.961142e-01 4.009973e-01 1.189633e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 15 +Solution: 40 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.249589e-01 -3.202837e-01 -2.046202e-01 -5.616406e+01 + 2.715357e-01 1.801809e-01 9.454117e-01 3.508453e+01 + -2.659313e-01 -9.300286e-01 2.536283e-01 1.284065e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 16 +Solution: 41 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.819886e-01 -3.615595e-01 -3.022763e-01 -4.948338e+01 + 3.241533e-01 -1.526600e-04 9.460045e-01 4.066115e+01 + -3.420830e-01 -9.323490e-01 1.170661e-01 1.360255e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 16 +Solution: 42 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.307178e-01 -3.753966e-01 -4.110783e-01 -4.358643e+01 + 3.746440e-01 -1.691959e-01 9.116000e-01 4.590000e+01 + -4.117644e-01 -9.112904e-01 8.602014e-05 1.416293e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 14 +Solution: 43 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.736164e-01 -1.943263e-01 -1.196176e-01 -6.822338e+01 + 2.233229e-01 7.037412e-01 6.744444e-01 1.017200e+01 + -4.688245e-02 -6.833635e-01 7.285715e-01 9.233160e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 14 +Solution: 44 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.616021e-01 -2.307934e-01 -1.485118e-01 -6.490849e+01 + 2.589118e-01 5.833930e-01 7.698164e-01 1.352677e+01 + -9.102780e-02 -7.787085e-01 6.207471e-01 1.022822e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 15 +Solution: 45 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.426641e-01 -2.727877e-01 -1.922791e-01 -6.058508e+01 + 3.006685e-01 4.440800e-01 8.440328e-01 1.748175e+01 + -1.448545e-01 -8.534517e-01 5.006369e-01 1.119756e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 15 +Solution: 46 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.154153e-01 -3.132101e-01 -2.528125e-01 -5.552937e+01 + 3.459533e-01 2.911825e-01 8.919244e-01 2.198670e+01 + -2.057452e-01 -9.039426e-01 3.749090e-01 1.209368e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 16 +Solution: 47 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.794763e-01 -3.440552e-01 -3.288579e-01 -5.017365e+01 + 3.921287e-01 1.322141e-01 9.103596e-01 2.686088e+01 + -2.697343e-01 -9.295942e-01 2.511931e-01 1.287402e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 16 +Solution: 48 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.356930e-01 -3.584260e-01 -4.161106e-01 -4.500942e+01 + 4.371571e-01 -2.448449e-02 8.990518e-01 3.181074e+01 + -3.324318e-01 -9.332370e-01 1.362270e-01 1.351219e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 17 +Solution: 49 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.858320e-01 -3.521132e-01 -5.084135e-01 -4.046393e+01 + 4.798912e-01 -1.713652e-01 8.604292e-01 3.649725e+01 + -3.900929e-01 -9.201360e-01 3.431179e-02 1.400266e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 18 +Solution: 50 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.481820e-01 -2.582850e-01 -1.850401e-01 -6.195712e+01 + 3.169441e-01 7.280087e-01 6.079060e-01 3.643786e-01 + -2.230216e-02 -6.350529e-01 7.721467e-01 8.712340e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 18 +Solution: 51 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.349400e-01 -2.797289e-01 -2.182635e-01 -5.938317e+01 + 3.499633e-01 6.257574e-01 6.971035e-01 2.930456e+00 + -5.842001e-02 -7.281342e-01 6.829405e-01 9.613971e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 19 +Solution: 52 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.163714e-01 -3.041445e-01 -2.603067e-01 -5.611630e+01 + 3.871559e-01 5.078592e-01 7.695384e-01 6.073757e+00 + -1.018517e-01 -8.059623e-01 5.831390e-01 1.049842e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 19 +Solution: 53 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.916084e-01 -3.276414e-01 -3.125468e-01 -5.229683e+01 + 4.268311e-01 3.777144e-01 8.216733e-01 9.765531e+00 + -1.511608e-01 -8.660156e-01 4.766209e-01 1.133653e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 20 +Solution: 54 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.602320e-01 -3.456534e-01 -3.748662e-01 -4.815060e+01 + 4.672304e-01 2.399238e-01 8.509597e-01 1.391048e+01 + -2.041978e-01 -9.071716e-01 3.678899e-01 1.210048e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 20 +Solution: 55 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.224293e-01 -3.537286e-01 -4.455177e-01 -4.395829e+01 + 5.067897e-01 9.983843e-02 8.562689e-01 1.834718e+01 + -2.584071e-01 -9.300045e-01 2.613761e-01 1.276851e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 17 +Solution: 56 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.789819e-01 -3.483251e-01 -5.213988e-01 -4.000733e+01 + 5.443398e-01 -3.710396e-02 8.380439e-01 2.286741e+01 + -3.112577e-01 -9.366391e-01 1.607039e-01 1.332834e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 17 +Solution: 57 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.310907e-01 -3.273320e-01 -5.986319e-01 -3.654370e+01 + 5.791753e-01 -1.660332e-01 7.981159e-01 2.724831e+01 + -3.606417e-01 -9.302079e-01 6.819733e-02 1.377788e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 21 +Solution: 58 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.076923e-01 7.571886e-01 -5.761865e-01 -6.030989e+01 + -9.353697e-01 1.297293e-01 -3.290194e-01 1.535990e+02 + -1.743815e-01 6.401842e-01 7.481680e-01 2.747362e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 22 +Solution: 59 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.573915e-01 7.906592e-01 -4.070024e-01 -7.662150e+01 + -8.806896e-01 3.393425e-01 -3.305034e-01 1.364407e+02 + -1.232023e-01 5.096122e-01 8.515378e-01 2.995525e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 23 +Solution: 60 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.307480e-01 6.564321e-01 -6.780138e-01 -5.626173e+01 + -8.878251e-01 -2.714594e-02 -4.593797e-01 1.587322e+02 + -3.199569e-01 7.538965e-01 5.738184e-01 3.491060e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 22 +Solution: 61 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.715625e-01 7.573593e-01 -3.157898e-01 -8.553102e+01 + -8.108973e-01 4.624476e-01 -3.585914e-01 1.229828e+02 + -1.255463e-01 4.610305e-01 8.784583e-01 3.288936e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 21 +Solution: 62 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.551355e-01 7.244134e-01 -5.177614e-01 -7.220542e+01 + -8.538689e-01 1.901841e-01 -4.844975e-01 1.431185e+02 + -2.525065e-01 6.626124e-01 7.051137e-01 3.352508e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 23 +Solution: 63 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.913749e-01 6.124935e-01 -6.867877e-01 -5.927972e+01 + -8.231096e-01 -1.007155e-01 -5.588801e-01 1.573597e+02 + -4.114806e-01 7.840332e-01 4.647318e-01 4.197613e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 24 +Solution: 64 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.653800e-01 7.025903e-01 -2.522625e-01 -9.122840e+01 + -7.327307e-01 5.500671e-01 -4.006643e-01 1.108528e+02 + -1.427416e-01 4.514345e-01 8.808131e-01 3.502147e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 25 +Solution: 65 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.677023e-01 7.188457e-01 -4.012169e-01 -8.265711e+01 + -7.897226e-01 3.378987e-01 -5.120182e-01 1.287559e+02 + -2.324914e-01 6.075240e-01 7.595146e-01 3.468078e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 26 +Solution: 66 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.940098e-01 6.749470e-01 -5.480883e-01 -7.282510e+01 + -7.952732e-01 9.598482e-02 -5.986045e-01 1.435529e+02 + -3.514182e-01 7.315965e-01 5.841848e-01 3.906530e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 27 +Solution: 67 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.588208e-01 5.964371e-01 -6.585942e-01 -6.466464e+01 + -7.488243e-01 -1.394162e-01 -6.479393e-01 1.530528e+02 + -4.782737e-01 7.904593e-01 3.826595e-01 4.804116e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 24 +Solution: 68 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.449750e-01 6.369382e-01 -1.982978e-01 -9.495272e+01 + -6.467550e-01 6.167759e-01 -4.486597e-01 9.923237e+01 + -1.634631e-01 4.624904e-01 8.714255e-01 3.632426e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 24 +Solution: 69 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.651415e-01 6.791606e-01 -3.103671e-01 -8.965368e+01 + -7.092920e-01 4.447086e-01 -5.469360e-01 1.152830e+02 + -2.334344e-01 5.839308e-01 7.775173e-01 3.607092e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 25 +Solution: 70 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.956880e-01 6.792223e-01 -4.287340e-01 -8.285182e+01 + -7.348295e-01 2.453202e-01 -6.323319e-01 1.294591e+02 + -3.243168e-01 6.917189e-01 6.452469e-01 3.866539e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 26 +Solution: 71 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.475921e-01 6.446998e-01 -5.333901e-01 -7.606536e+01 + -7.191628e-01 3.676990e-02 -6.938680e-01 1.402854e+02 + -4.277239e-01 7.635510e-01 4.837790e-01 4.459326e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 27 +Solution: 72 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.245278e-01 5.944028e-01 -6.095539e-01 -7.077114e+01 + -6.657807e-01 -1.598797e-01 -7.288173e-01 1.468561e+02 + -5.306663e-01 7.881141e-01 3.118805e-01 5.324751e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 28 +Solution: 73 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.125511e-01 5.641891e-01 -1.464631e-01 -9.715138e+01 + -5.533457e-01 6.676366e-01 -4.980663e-01 8.784802e+01 + -1.832195e-01 4.857490e-01 8.546804e-01 3.685738e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 28 +Solution: 74 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.485562e-01 6.211586e-01 -2.320035e-01 -9.425558e+01 + -6.171281e-01 5.246776e-01 -5.864012e-01 1.022962e+02 + -2.425211e-01 5.821301e-01 7.760851e-01 3.701760e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 29 +Solution: 75 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.881793e-01 6.485660e-01 -3.252252e-01 -8.995750e+01 + -6.532234e-01 3.587660e-01 -6.667729e-01 1.154924e+02 + -3.157665e-01 6.713040e-01 6.705538e-01 3.897171e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 29 +Solution: 76 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.384896e-01 6.481405e-01 -4.150240e-01 -8.504662e+01 + -6.576941e-01 1.794338e-01 -7.316023e-01 1.264965e+02 + -3.997118e-01 7.400793e-01 5.408448e-01 4.317419e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 30 +Solution: 77 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.039622e-01 6.280053e-01 -4.907535e-01 -8.044150e+01 + -6.302764e-01 -5.468271e-04 -7.763706e-01 1.345302e+02 + -4.878332e-01 7.782089e-01 3.954867e-01 4.958725e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 30 +Solution: 78 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.848719e-01 5.998134e-01 -5.460300e-01 -7.686311e+01 + -5.744312e-01 -1.689824e-01 -8.009205e-01 1.392067e+02 + -5.726723e-01 7.820926e-01 2.457185e-01 5.769327e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 28 +Solution: 79 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.687497e-01 4.863653e-01 -9.339579e-02 -9.801190e+01 + -4.531806e-01 7.046251e-01 -5.460136e-01 7.663819e+01 + -1.997530e-01 5.166743e-01 8.325542e-01 3.666833e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 28 +Solution: 80 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.187186e-01 5.518508e-01 -1.586207e-01 -9.696501e+01 + -5.153021e-01 5.842872e-01 -6.269548e-01 8.959987e+01 + -2.533055e-01 5.950371e-01 7.627366e-01 3.731074e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 29 +Solution: 81 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.687017e-01 5.964080e-01 -2.310741e-01 -9.468447e+01 + -5.562033e-01 4.449340e-01 -7.019057e-01 1.016847e+02 + -3.158095e-01 6.680803e-01 6.737456e-01 3.915125e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 29 +Solution: 82 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.230891e-01 6.200309e-01 -3.044730e-01 -9.159605e+01 + -5.728899e-01 2.920385e-01 -7.658398e-01 1.122830e+02 + -3.859265e-01 7.282000e-01 5.663793e-01 4.250351e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 30 +Solution: 83 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.853373e-01 6.259516e-01 -3.721525e-01 -8.822796e+01 + -5.641249e-01 1.331671e-01 -8.148801e-01 1.208298e+02 + -4.605171e-01 7.684082e-01 4.443792e-01 4.746950e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 30 +Solution: 84 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.570596e-01 6.200381e-01 -4.287487e-01 -8.508656e+01 + -5.307673e-01 -2.336666e-02 -8.471954e-01 1.269175e+02 + -5.353119e-01 7.842237e-01 3.137426e-01 5.389443e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 31 +Solution: 85 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.377375e-01 6.091710e-01 -4.713825e-01 -8.253178e+01 + -4.754787e-01 -1.701168e-01 -8.631224e-01 1.303619e+02 + -6.059792e-01 7.745779e-01 1.811580e-01 6.141800e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 32 +Solution: 86 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.135617e-01 4.049600e-01 -3.758210e-02 -9.762494e+01 + -3.472450e-01 7.285657e-01 -5.904345e-01 6.563900e+01 + -2.117213e-01 5.524485e-01 8.062101e-01 3.579236e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 32 +Solution: 87 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.757487e-01 4.750123e-01 -8.618316e-02 -9.802507e+01 + -4.053733e-01 6.265935e-01 -6.656223e-01 7.715084e+01 + -2.621770e-01 6.178542e-01 7.412957e-01 3.688195e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 33 +Solution: 88 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.359627e-01 5.302863e-01 -1.412895e-01 -9.736651e+01 + -4.471348e-01 5.088870e-01 -7.355980e-01 8.804613e+01 + -3.181772e-01 6.781080e-01 6.625201e-01 3.882779e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 33 +Solution: 89 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.968968e-01 5.703179e-01 -1.992310e-01 -9.588316e+01 + -4.703945e-01 3.788601e-01 -7.969906e-01 9.791913e+01 + -3.790573e-01 7.288364e-01 5.701868e-01 4.182050e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 34 +Solution: 90 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.608853e-01 5.962509e-01 -2.560048e-01 -9.386999e+01 + -4.739044e-01 2.411257e-01 -8.469197e-01 1.063782e+02 + -4.432473e-01 7.657306e-01 4.660349e-01 4.595864e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 34 +Solution: 91 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.294892e-01 6.107464e-01 -3.079518e-01 -9.163726e+01 + -4.575235e-01 1.010266e-01 -8.834398e-01 1.130948e+02 + -5.084464e-01 7.853550e-01 3.531287e-01 5.121835e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 31 +Solution: 92 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.032376e-01 6.174820e-01 -3.523819e-01 -8.945557e+01 + -4.222291e-01 -3.603424e-02 -9.057727e-01 1.178438e+02 + -5.719961e-01 7.857592e-01 2.353782e-01 5.745406e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 31 +Solution: 93 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.816201e-01 6.204118e-01 -3.879217e-01 -8.751124e+01 + -3.699177e-01 -1.652371e-01 -9.142525e-01 1.205225e+02 + -6.313121e-01 7.666720e-01 1.168724e-01 6.442931e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 35 +Solution: 94 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.255871e-01 -3.073947e-02 -9.737379e-01 -5.819744e+00 + -6.778772e-01 -7.228180e-01 -1.342264e-01 1.785044e+02 + -6.997092e-01 6.903545e-01 -1.838960e-01 7.617174e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 36 +Solution: 95 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.641192e-01 1.925258e-01 -9.450793e-01 -2.238151e+01 + -7.086241e-01 -6.259892e-01 -3.255602e-01 1.763900e+02 + -6.542881e-01 7.556927e-01 -2.890735e-02 6.767843e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 37 +Solution: 96 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.252338e-01 -1.294958e-01 -9.367251e-01 -9.420341e+00 + -5.252457e-01 -8.484588e-01 -6.507332e-02 1.714647e+02 + -7.863459e-01 5.131749e-01 -3.439646e-01 9.494999e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 36 +Solution: 97 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.312614e-01 3.144926e-01 -8.895843e-01 -3.581366e+01 + -6.838628e-01 -5.695515e-01 -4.560074e-01 1.712872e+02 + -6.500750e-01 7.594113e-01 2.639941e-02 6.688677e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 35 +Solution: 98 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.341169e-01 8.425988e-02 -9.387578e-01 -2.259449e+01 + -5.657443e-01 -7.786896e-01 -2.712489e-01 1.718648e+02 + -7.538563e-01 6.217257e-01 -2.125038e-01 8.522972e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 37 +Solution: 99 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.950984e-01 -1.174276e-01 -9.111027e-01 -1.664601e+01 + -4.021359e-01 -9.138284e-01 -5.660673e-02 1.638674e+02 + -8.259443e-01 3.887523e-01 -4.082740e-01 1.060150e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 38 +Solution: 100 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.013566e-01 3.969914e-01 -8.254154e-01 -4.726500e+01 + -6.332140e-01 -5.308659e-01 -5.632241e-01 1.647457e+02 + -6.617801e-01 7.487184e-01 3.831399e-02 6.854368e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 36 +Solution: 101 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.789067e-01 2.339178e-01 -8.953838e-01 -3.552628e+01 + -5.548721e-01 -7.169024e-01 -4.220995e-01 1.678025e+02 + -7.406394e-01 6.567598e-01 -1.418446e-01 8.174472e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 39 +Solution: 102 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.973203e-01 6.600995e-02 -9.153028e-01 -2.744533e+01 + -4.338676e-01 -8.653817e-01 -2.507457e-01 1.646515e+02 + -8.086380e-01 4.967466e-01 -3.151942e-01 9.785721e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 40 +Solution: 103 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.445004e-01 -6.403509e-02 -8.934869e-01 -2.434800e+01 + -2.883503e-01 -9.545803e-01 -7.503768e-02 1.557975e+02 + -8.480999e-01 2.909915e-01 -4.427759e-01 1.138287e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 38 +Solution: 104 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.678007e-01 4.608026e-01 -7.542039e-01 -5.732294e+01 + -5.659357e-01 -4.992808e-01 -6.560758e-01 1.570328e+02 + -6.788809e-01 7.337436e-01 2.722074e-02 7.102392e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 38 +Solution: 105 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.347241e-01 3.443899e-01 -8.321121e-01 -4.727612e+01 + -5.124402e-01 -6.652208e-01 -5.430343e-01 1.613135e+02 + -7.405538e-01 6.624778e-01 -1.127083e-01 8.130700e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 39 +Solution: 106 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.283187e-01 2.150872e-01 -8.776563e-01 -3.905266e+01 + -4.239719e-01 -8.098823e-01 -4.053869e-01 1.610557e+02 + -7.979918e-01 5.457364e-01 -2.556968e-01 9.384007e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 39 +Solution: 107 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.462678e-01 9.679964e-02 -8.896487e-01 -3.382557e+01 + -3.084155e-01 -9.165918e-01 -2.544394e-01 1.560607e+02 + -8.400743e-01 3.879296e-01 -3.791909e-01 1.072662e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 40 +Solution: 108 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.783747e-01 9.057669e-03 -8.781091e-01 -3.175025e+01 + -1.775140e-01 -9.783063e-01 -1.067970e-01 1.470602e+02 + -8.600270e-01 2.069656e-01 -4.663891e-01 1.198680e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 41 +Solution: 109 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.278308e-01 5.140980e-01 -6.760901e-01 -6.620494e+01 + -4.861278e-01 -4.698736e-01 -7.368165e-01 1.482497e+02 + -6.964728e-01 7.175806e-01 1.903557e-03 7.366656e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 41 +Solution: 110 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.910261e-01 4.316100e-01 -7.567075e-01 -5.776718e+01 + -4.485662e-01 -6.193614e-01 -6.443445e-01 1.531177e+02 + -7.467809e-01 6.558233e-01 -1.105169e-01 8.225844e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 42 +Solution: 111 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.713065e-01 3.355631e-01 -8.156394e-01 -5.019408e+01 + -3.831974e-01 -7.550344e-01 -5.320552e-01 1.545559e+02 + -7.943739e-01 5.633120e-01 -2.272657e-01 9.239336e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 42 +Solution: 112 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.690968e-01 2.389538e-01 -8.502055e-01 -4.428552e+01 + -2.935134e-01 -8.657935e-01 -4.052795e-01 1.522625e+02 + -8.329454e-01 4.396620e-01 -3.360048e-01 1.034702e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 43 +Solution: 113 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.805429e-01 1.550852e-01 -8.631495e-01 -4.044626e+01 + -1.859044e-01 -9.438560e-01 -2.730849e-01 1.464071e+02 + -8.570403e-01 2.916923e-01 -4.247323e-01 1.145509e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 43 +Solution: 114 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.988695e-01 9.282186e-02 -8.616921e-01 -3.853980e+01 + -6.774609e-02 -9.870295e-01 -1.455443e-01 1.375775e+02 + -8.640253e-01 1.309839e-01 -4.861106e-01 1.246980e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 41 +Solution: 115 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.797912e-01 5.604813e-01 -5.913569e-01 -7.396579e+01 + -3.963070e-01 -4.401565e-01 -8.057313e-01 1.384854e+02 + -7.118869e-01 7.015148e-01 -3.307616e-02 7.613569e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 41 +Solution: 116 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.426596e-01 5.040722e-01 -6.718867e-01 -6.700643e+01 + -3.688151e-01 -5.756792e-01 -7.297732e-01 1.435302e+02 + -7.546496e-01 6.438204e-01 -1.264884e-01 8.373234e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 42 +Solution: 117 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.162916e-01 4.352905e-01 -7.375399e-01 -6.037440e+01 + -3.194427e-01 -7.011634e-01 -6.374372e-01 1.459217e+02 + -7.946064e-01 5.647053e-01 -2.229544e-01 9.231954e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 42 +Solution: 118 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.016090e-01 3.613830e-01 -7.859966e-01 -5.458167e+01 + -2.498795e-01 -8.093149e-01 -5.315728e-01 1.454034e+02 + -8.282202e-01 4.630462e-01 -3.156574e-01 1.016130e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 43 +Solution: 119 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.974159e-01 2.904336e-01 -8.174507e-01 -4.998486e+01 + -1.635354e-01 -8.940062e-01 -4.171439e-01 1.419523e+02 + -8.519587e-01 3.411762e-01 -3.971967e-01 1.111269e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 43 +Solution: 120 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.005933e-01 2.293710e-01 -8.347426e-01 -4.668749e+01 + -6.494286e-02 -9.515919e-01 -3.004251e-01 1.357966e+02 + -8.632432e-01 2.046013e-01 -4.614646e-01 1.202845e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 44 +Solution: 121 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.069619e-01 1.823709e-01 -8.424551e-01 -4.453017e+01 + 4.112720e-02 -9.813664e-01 -1.876928e-01 1.273568e+02 + -8.609868e-01 6.050527e-02 -5.050157e-01 1.285582e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 45 +Solution: 122 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.224771e-01 6.016010e-01 -5.005982e-01 -8.058776e+01 + -2.984771e-01 -4.088044e-01 -8.624328e-01 1.278465e+02 + -7.234872e-01 6.862617e-01 -7.490727e-02 7.822956e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 45 +Solution: 123 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.866087e-01 5.661843e-01 -5.790730e-01 -7.496590e+01 + -2.768702e-01 -5.317364e-01 -8.003745e-01 1.327531e+02 + -7.610736e-01 6.298347e-01 -1.551617e-01 8.523095e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 46 +Solution: 124 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.573070e-01 5.198658e-01 -6.474168e-01 -6.935338e+01 + -2.382521e-01 -6.468166e-01 -7.244752e-01 1.355902e+02 + -7.953898e-01 5.580034e-01 -2.366163e-01 9.282584e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 46 +Solution: 125 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.353846e-01 4.667995e-01 -7.038903e-01 -6.407127e+01 + -1.835575e-01 -7.491663e-01 -6.364405e-01 1.361677e+02 + -8.244210e-01 4.699448e-01 -3.154075e-01 1.008629e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 47 +Solution: 126 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.206280e-01 4.117225e-01 -7.479513e-01 -5.937570e+01 + -1.146804e-01 -8.343814e-01 -5.391252e-01 1.344153e+02 + -8.460466e-01 3.664590e-01 -3.871858e-01 1.090857e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 47 +Solution: 127 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.117791e-01 3.591769e-01 -7.804320e-01 -5.541056e+01 + -3.429191e-02 -8.991474e-01 -4.363004e-01 1.304003e+02 + -8.584324e-01 2.500520e-01 -4.478480e-01 1.171661e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 44 +Solution: 128 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.067743e-01 3.127236e-01 -8.033578e-01 -5.218463e+01 + 5.449345e-02 -9.416414e-01 -3.321777e-01 1.243188e+02 + -8.603547e-01 1.245614e-01 -4.942411e-01 1.247587e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 44 +Solution: 129 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.031577e-01 2.744288e-01 -8.194640e-01 -4.958171e+01 + 1.484945e-01 -9.615915e-01 -2.308488e-01 1.164622e+02 + -8.513412e-01 -5.532570e-03 -5.245833e-01 1.315548e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 48 +Solution: 130 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.165840e-01 -6.385173e-01 -4.605648e-01 -8.460781e+00 + -2.379260e-01 -7.087728e-01 6.641026e-01 1.344181e+02 + -7.504768e-01 -2.998947e-01 -5.889378e-01 1.394993e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 49 +Solution: 131 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.545482e-01 -5.228028e-01 -6.474207e-01 -8.798229e+00 + -2.162980e-01 -8.418244e-01 4.945169e-01 1.406961e+02 + -8.035493e-01 -1.341976e-01 -5.799134e-01 1.347784e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 50 +Solution: 132 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.189627e-01 -5.875959e-01 -3.712461e-01 -2.114756e+01 + -9.582849e-02 -6.128297e-01 7.843830e-01 1.153607e+02 + -6.884109e-01 -5.283662e-01 -4.969101e-01 1.466778e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 49 +Solution: 133 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.415596e-01 -4.036539e-01 -7.374122e-01 -1.418539e+01 + -1.603110e-01 -9.106708e-01 3.807611e-01 1.399036e+02 + -8.252355e-01 -8.798950e-02 -5.578927e-01 1.340303e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 48 +Solution: 134 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.491346e-01 -5.148619e-01 -5.599478e-01 -1.827469e+01 + -6.598316e-02 -7.714584e-01 6.328493e-01 1.222990e+02 + -7.578064e-01 -3.738572e-01 -5.347525e-01 1.442681e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 50 +Solution: 135 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.612007e-01 -5.257294e-01 -3.797133e-01 -2.859044e+01 + 2.601804e-02 -5.602825e-01 8.278929e-01 1.009411e+02 + -6.479943e-01 -6.400720e-01 -4.128090e-01 1.491261e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 51 +Solution: 136 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.416835e-01 -2.890185e-01 -7.893335e-01 -2.064985e+01 + -8.647300e-02 -9.532093e-01 2.896800e-01 1.358669e+02 + -8.361229e-01 -8.865881e-02 -5.413300e-01 1.350163e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 49 +Solution: 137 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.128023e-01 -4.082839e-01 -6.765926e-01 -2.069217e+01 + -1.463205e-02 -8.619059e-01 5.068570e-01 1.232247e+02 + -7.901008e-01 -3.007032e-01 -5.341520e-01 1.430125e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 52 +Solution: 138 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.978751e-01 -4.681580e-01 -5.420317e-01 -2.552988e+01 + 6.570351e-02 -7.117572e-01 6.993459e-01 1.064803e+02 + -7.131994e-01 -5.236695e-01 -4.659580e-01 1.485860e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 53 +Solution: 139 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.749071e-01 -4.677955e-01 -4.250723e-01 -3.305013e+01 + 1.427582e-01 -5.255960e-01 8.386709e-01 8.813656e+01 + -6.157428e-01 -7.105746e-01 -3.405064e-01 1.499843e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 51 +Solution: 140 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.425844e-01 -1.770126e-01 -8.211387e-01 -2.710233e+01 + -2.498196e-03 -9.778802e-01 2.091506e-01 1.298264e+02 + -8.399976e-01 -1.114305e-01 -5.310248e-01 1.366554e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 51 +Solution: 141 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.913140e-01 -2.930520e-01 -7.513110e-01 -2.512121e+01 + 5.358364e-02 -9.153012e-01 3.991897e-01 1.203906e+02 + -8.046592e-01 -2.763045e-01 -5.255277e-01 1.429141e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 52 +Solution: 142 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.528354e-01 -3.737241e-01 -6.588901e-01 -2.644161e+01 + 1.201757e-01 -8.077078e-01 5.772052e-01 1.074235e+02 + -7.479062e-01 -4.560026e-01 -4.823877e-01 1.479280e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 52 +Solution: 143 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.159977e-01 -4.116103e-01 -5.638477e-01 -3.039663e+01 + 1.895485e-01 -6.627184e-01 7.244830e-01 9.214193e+01 + -6.718770e-01 -6.256047e-01 -3.964847e-01 1.504355e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 53 +Solution: 144 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.695667e-01 -4.136708e-01 -4.864603e-01 -3.547912e+01 + 2.565851e-01 -4.972788e-01 8.287810e-01 7.603927e+01 + -5.847489e-01 -7.626207e-01 -2.765474e-01 1.499194e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 54 +Solution: 145 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.390584e-01 -6.659779e-02 -8.396313e-01 -3.309999e+01 + 8.740125e-02 -9.870645e-01 1.344051e-01 1.223244e+02 + -8.377213e-01 -1.458370e-01 -5.262647e-01 1.384192e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 51 +Solution: 146 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.734918e-01 -1.757431e-01 -8.001385e-01 -3.009644e+01 + 1.331777e-01 -9.437243e-01 3.027344e-01 1.150251e+02 + -8.083136e-01 -2.801763e-01 -5.178131e-01 1.434487e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 55 +Solution: 147 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.176443e-01 -2.632189e-01 -7.411014e-01 -2.930858e+01 + 1.883351e-01 -8.654061e-01 4.643297e-01 1.048611e+02 + -7.635741e-01 -4.263661e-01 -4.849398e-01 1.476671e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 55 +Solution: 148 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.659683e-01 -3.225013e-01 -6.726657e-01 -3.056777e+01 + 2.482336e-01 -7.545269e-01 6.075107e-01 9.243960e+01 + -7.034674e-01 -5.715610e-01 -4.224354e-01 1.503105e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 56 +Solution: 149 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.116068e-01 -3.534916e-01 -6.071734e-01 -3.320560e+01 + 3.086600e-01 -6.190488e-01 7.221548e-01 7.864387e+01 + -6.311456e-01 -7.013004e-01 -3.314106e-01 1.508369e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 56 +Solution: 150 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.488385e-01 -3.625852e-01 -5.547728e-01 -3.629025e+01 + 3.670611e-01 -4.700656e-01 8.026858e-01 6.436990e+01 + -5.518216e-01 -8.047175e-01 -2.189123e-01 1.491224e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 54 +Solution: 151 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.531503e-01 -5.850984e-02 -8.310242e-01 -3.489611e+01 + 2.198370e-01 -9.519208e-01 2.133508e-01 1.078146e+02 + -8.035523e-01 -3.007050e-01 -5.136927e-01 1.441830e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 55 +Solution: 152 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.847541e-01 -1.459478e-01 -7.979736e-01 -3.286520e+01 + 2.666587e-01 -8.944349e-01 3.589976e-01 9.967804e+01 + -7.661304e-01 -4.227119e-01 -4.841063e-01 1.476886e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 55 +Solution: 153 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.204732e-01 -2.153917e-01 -7.540686e-01 -3.229124e+01 + 3.179968e-01 -8.098438e-01 4.929818e-01 8.959727e+01 + -7.168619e-01 -5.456734e-01 -4.339925e-01 1.500874e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 56 +Solution: 154 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.564526e-01 -2.650177e-01 -7.062829e-01 -3.290062e+01 + 3.709362e-01 -7.018516e-01 6.081206e-01 7.807966e+01 + -6.568685e-01 -6.611883e-01 -3.624277e-01 1.509939e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 56 +Solution: 155 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.888110e-01 -2.964717e-01 -6.615466e-01 -3.421676e+01 + 4.231056e-01 -5.765935e-01 6.989432e-01 6.571725e+01 + -5.886604e-01 -7.613438e-01 -2.717251e-01 1.501897e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 57 +Solution: 156 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.145464e-01 -3.142178e-01 -6.250525e-01 -3.568708e+01 + 4.730104e-01 -4.412927e-01 7.625759e-01 5.307530e+01 + -5.154460e-01 -8.405522e-01 -1.666958e-01 1.476639e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 58 +Solution: 157 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.097038e-01 1.490197e-01 -8.473460e-01 -4.283749e+01 + 2.740821e-01 -9.616969e-01 -4.261650e-03 1.041198e+02 + -8.155250e-01 -2.300702e-01 -5.310242e-01 1.412606e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 54 +Solution: 158 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.268036e-01 5.733363e-02 -8.480512e-01 -3.910895e+01 + 3.100848e-01 -9.419242e-01 1.289425e-01 9.920406e+01 + -7.914072e-01 -3.308952e-01 -5.139873e-01 1.448104e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 59 +Solution: 159 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.489429e-01 -2.648561e-02 -8.354401e-01 -3.634528e+01 + 3.513058e-01 -8.996223e-01 2.593530e-01 9.251383e+01 + -7.584497e-01 -4.358649e-01 -4.845368e-01 1.477427e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 59 +Solution: 160 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.745279e-01 -9.930185e-02 -8.124388e-01 -3.457093e+01 + 3.959264e-01 -8.350336e-01 3.820486e-01 8.424755e+01 + -7.163519e-01 -5.411636e-01 -4.404339e-01 1.498015e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 60 +Solution: 161 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.014193e-01 -1.592744e-01 -7.828962e-01 -3.368208e+01 + 4.420048e-01 -7.499651e-01 4.921220e-01 7.470542e+01 + -6.655273e-01 -6.420155e-01 -3.806435e-01 1.507453e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 60 +Solution: 162 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.272787e-01 -2.062568e-01 -7.509857e-01 -3.345740e+01 + 4.877487e-01 -6.477109e-01 5.852963e-01 6.425772e+01 + -6.071430e-01 -7.334362e-01 -3.056938e-01 1.503952e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 57 +Solution: 163 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.499743e-01 -2.417833e-01 -7.204680e-01 -3.359887e+01 + 5.317346e-01 -5.326315e-01 6.584542e-01 5.329848e+01 + -5.429472e-01 -8.110762e-01 -2.176323e-01 1.486677e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 57 +Solution: 164 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.679020e-01 -2.686357e-01 -6.940762e-01 -3.378839e+01 + 5.729985e-01 -4.095352e-01 7.098969e-01 4.220042e+01 + -4.749523e-01 -8.718462e-01 -1.196015e-01 1.455805e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 61 +Solution: 165 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.271505e-01 -7.010820e-01 -6.759340e-01 3.179077e+01 + 9.237677e-01 3.748504e-01 -7.836055e-02 -3.281677e+01 + 3.083113e-01 -6.066064e-01 7.327843e-01 5.513424e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 61 +Solution: 166 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.631386e-01 -7.597538e-01 -5.945858e-01 3.158952e+01 + 9.041776e-01 4.091631e-01 -1.226723e-01 -3.284446e+01 + 3.364833e-01 -5.053313e-01 7.946189e-01 4.646969e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 61 +Solution: 167 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.318644e-01 -6.982126e-01 -6.343226e-01 2.183006e+01 + 9.024735e-01 4.307409e-01 -1.970501e-03 -3.434601e+01 + 2.746045e-01 -5.718054e-01 7.730659e-01 5.609180e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 62 +Solution: 168 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.078517e-01 -8.066619e-01 -5.045037e-01 2.987390e+01 + 8.829146e-01 4.397968e-01 -1.644400e-01 -3.251383e+01 + 3.545266e-01 -3.948106e-01 8.476057e-01 3.823428e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 61 +Solution: 169 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.690420e-01 -7.458983e-01 -5.544762e-01 2.088890e+01 + 8.802865e-01 4.719118e-01 -4.893900e-02 -3.452189e+01 + 2.981673e-01 -4.700373e-01 8.307594e-01 4.783775e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 63 +Solution: 170 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.334188e-01 -6.837399e-01 -5.870672e-01 1.147035e+01 + 8.687862e-01 4.901344e-01 7.056061e-02 -3.492224e+01 + 2.394967e-01 -5.406182e-01 8.064572e-01 5.741098e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 62 +Solution: 171 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.601997e-01 -8.390470e-01 -4.077453e-01 2.659182e+01 + 8.599246e-01 4.680790e-01 -2.035480e-01 -3.189703e+01 + 3.616433e-01 -2.773123e-01 8.901191e-01 3.063825e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 62 +Solution: 172 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.143254e-01 -7.814241e-01 -4.665950e-01 1.846992e+01 + 8.550938e-01 5.097944e-01 -9.446843e-02 -3.423542e+01 + 3.116874e-01 -3.598418e-01 8.794116e-01 4.005288e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 63 +Solution: 173 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.717714e-01 -7.203503e-01 -5.084558e-01 9.784558e+00 + 8.428543e-01 5.377636e-01 2.017158e-02 -3.511476e+01 + 2.588984e-01 -4.380705e-01 8.608518e-01 4.950666e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 63 +Solution: 174 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.306217e-01 -6.579482e-01 -5.343640e-01 8.386325e-01 + 8.226555e-01 5.516098e-01 1.377116e-01 -3.445346e+01 + 2.041533e-01 -5.126702e-01 8.339608e-01 5.895924e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 64 +Solution: 175 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.186505e-01 -8.547023e-01 -3.069457e-01 2.176585e+01 + 8.348468e-01 4.952404e-01 -2.403491e-01 -3.103081e+01 + 3.574388e-01 -1.556304e-01 9.208782e-01 2.388393e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 62 +Solution: 176 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.665562e-01 -8.021024e-01 -3.727694e-01 1.453158e+01 + 8.267046e-01 5.452913e-01 -1.386253e-01 -3.352096e+01 + 3.144596e-01 -2.434936e-01 9.175108e-01 3.293889e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 65 +Solution: 177 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.175498e-01 -7.440952e-01 -4.224506e-01 6.645001e+00 + 8.125139e-01 5.821694e-01 -2.999881e-02 -3.471520e+01 + 2.682598e-01 -3.277211e-01 9.058894e-01 4.210856e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 63 +Solution: 178 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.699513e-01 -6.830091e-01 -4.567867e-01 -1.601655e+00 + 7.917465e-01 6.051858e-01 8.299183e-02 -3.451634e+01 + 2.197567e-01 -4.089606e-01 8.856965e-01 5.134692e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 66 +Solution: 179 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.222379e-01 -6.209923e-01 -4.766430e-01 -9.940808e+00 + 7.642283e-01 6.138108e-01 1.979680e-01 -3.286961e+01 + 1.696321e-01 -4.874473e-01 8.565162e-01 6.060614e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 64 +Solution: 180 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.813325e-01 -8.521953e-01 -2.051395e-01 1.549602e+01 + 8.070639e-01 5.221887e-01 -2.756207e-01 -2.990809e+01 + 3.420042e-01 -3.289550e-02 9.391225e-01 1.814656e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 64 +Solution: 181 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.241176e-01 -8.058045e-01 -2.756445e-01 9.108816e+00 + 7.946995e-01 5.791123e-01 -1.818838e-01 -3.237931e+01 + 3.061919e-01 -1.237260e-01 9.438953e-01 2.668473e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 65 +Solution: 182 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.694214e-01 -7.523410e-01 -3.312736e-01 2.029777e+00 + 7.774850e-01 6.237666e-01 -8.020129e-02 -3.372089e+01 + 2.669761e-01 -2.118919e-01 9.401200e-01 3.541164e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 65 +Solution: 183 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.158379e-01 -6.942308e-01 -3.725415e-01 -5.469448e+00 + 7.549801e-01 6.551877e-01 2.709469e-02 -3.382855e+01 + 2.252747e-01 -2.979474e-01 9.276199e-01 4.427533e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 66 +Solution: 184 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.620845e-01 -6.337148e-01 -4.000621e-01 -1.313892e+01 + 7.270538e-01 6.726100e-01 1.377990e-01 -3.263843e+01 + 1.817605e-01 -3.821012e-01 9.060694e-01 5.322695e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 66 +Solution: 185 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.069927e-01 -5.729491e-01 -4.145971e-01 -2.074364e+01 + 6.938443e-01 6.754104e-01 2.498017e-01 -3.012006e+01 + 1.368995e-01 -4.642738e-01 8.750476e-01 6.222037e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 67 +Solution: 186 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.461745e-01 -8.309989e-01 -1.055187e-01 7.953633e+00 + 7.758067e-01 5.493185e-01 -3.104401e-01 -2.847713e+01 + 3.159388e-01 8.769236e-02 9.447183e-01 1.355641e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 64 +Solution: 187 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.850251e-01 -7.911832e-01 -1.782546e-01 2.316994e+00 + 7.585069e-01 6.115689e-01 -2.250573e-01 -3.077301e+01 + 2.870765e-01 -3.543126e-03 9.579011e-01 2.144869e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 68 +Solution: 188 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.255630e-01 -7.430794e-01 -2.377057e-01 -3.999727e+00 + 7.373643e-01 6.626659e-01 -1.310256e-01 -3.209904e+01 + 2.548819e-01 -9.331090e-02 9.624595e-01 2.959263e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 65 +Solution: 189 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.666675e-01 -6.890891e-01 -2.840963e-01 -1.075356e+01 + 7.120777e-01 7.014421e-01 -3.040198e-02 -3.235292e+01 + 2.202268e-01 -1.820306e-01 9.583136e-01 3.793240e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 69 +Solution: 190 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.073116e-01 -6.314495e-01 -3.177762e-01 -1.771925e+01 + 6.826038e-01 7.269459e-01 7.484497e-02 -3.146894e+01 + 1.837453e-01 -2.698540e-01 9.452071e-01 4.641918e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 66 +Solution: 191 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.465627e-01 -5.723231e-01 -3.392499e-01 -2.468405e+01 + 6.491276e-01 7.383849e-01 1.828144e-01 -2.941187e+01 + 1.458681e-01 -3.566988e-01 9.227613e-01 5.500983e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 70 +Solution: 192 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.835771e-01 -5.138615e-01 -3.492181e-01 -3.144336e+01 + 6.120408e-01 7.350796e-01 2.916572e-01 -2.617221e+01 + 1.068317e-01 -4.422717e-01 8.904958e-01 6.366718e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 67 +Solution: 193 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.110548e-01 -7.915094e-01 -1.117543e-02 -6.322698e-01 + 7.402984e-01 5.764045e-01 -3.460000e-01 -2.664922e+01 + 2.803038e-01 2.031518e-01 9.381679e-01 1.018636e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 67 +Solution: 194 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.470572e-01 -7.578222e-01 -8.380000e-02 -5.652294e+00 + 7.175329e-01 6.424197e-01 -2.691533e-01 -2.862992e+01 + 2.578051e-01 1.140283e-01 9.594447e-01 1.734232e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 68 +Solution: 195 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.837580e-01 -7.151739e-01 -1.449180e-01 -1.129411e+01 + 6.917416e-01 6.984963e-01 -1.832934e-01 -2.978758e+01 + 2.323114e-01 2.508257e-02 9.723180e-01 2.479270e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 68 +Solution: 196 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.203090e-01 -6.658289e-01 -1.944914e-01 -1.734869e+01 + 6.627903e-01 7.433575e-01 -9.015853e-02 -3.003007e+01 + 2.046068e-01 -6.396500e-02 9.767520e-01 3.248149e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 69 +Solution: 197 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.559338e-01 -6.119245e-01 -2.326208e-01 -2.362051e+01 + 6.307523e-01 7.759370e-01 8.564020e-03 -2.929672e+01 + 1.752586e-01 -1.532000e-01 9.725298e-01 4.036210e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 69 +Solution: 198 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.899342e-01 -5.555469e-01 -2.595605e-01 -2.992370e+01 + 5.958877e-01 7.953278e-01 1.112275e-01 -2.755348e+01 + 1.446436e-01 -2.425313e-01 9.593002e-01 4.839571e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 69 +Solution: 199 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.216905e-01 -4.987865e-01 -2.757476e-01 -3.607874e+01 + 5.586284e-01 8.007399e-01 2.162173e-01 -2.478895e+01 + 1.129559e-01 -3.317042e-01 9.365967e-01 5.655128e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 71 +Solution: 200 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.494330e-01 -6.545576e-01 9.952124e-02 -2.168586e+01 + 6.363770e-01 6.706777e-01 -3.810719e-01 -2.240188e+01 + 1.826868e-01 3.489209e-01 9.191734e-01 1.081965e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 71 +Solution: 201 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.806131e-01 -6.241580e-01 3.271124e-02 -2.609098e+01 + 6.015905e-01 7.361339e-01 -3.101543e-01 -2.322191e+01 + 1.695055e-01 2.617893e-01 9.501233e-01 1.696856e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 71 +Solution: 202 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.165103e-01 -5.655493e-01 1.160380e-01 -3.307329e+01 + 5.623025e-01 7.334669e-01 -3.818930e-01 -1.920174e+01 + 1.308693e-01 3.770681e-01 9.168931e-01 1.397642e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 72 +Solution: 203 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.113549e-01 -5.840345e-01 -2.463531e-02 -3.105029e+01 + 5.639598e-01 7.931630e-01 -2.298734e-01 -2.332424e+01 + 1.537938e-01 1.726156e-01 9.729087e-01 2.349662e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 71 +Solution: 204 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.449468e-01 -5.321785e-01 5.339448e-02 -3.741151e+01 + 5.209282e-01 7.962122e-01 -3.077010e-01 -1.926883e+01 + 1.212385e-01 2.878057e-01 9.499837e-01 1.991397e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 71 +Solution: 205 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.742770e-01 -4.689702e-01 1.253263e-01 -4.401565e+01 + 4.784701e-01 7.889770e-01 -3.854629e-01 -1.467174e+01 + 8.189103e-02 3.969662e-01 9.141727e-01 1.735002e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 72 +Solution: 206 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.410206e-01 -5.362026e-01 -7.190981e-02 -3.639045e+01 + 5.235662e-01 8.401663e-01 -1.414181e-01 -2.261986e+01 + 1.362450e-01 8.128601e-02 9.873347e-01 3.034717e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 72 +Solution: 207 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.725915e-01 -4.884506e-01 1.737093e-04 -4.230779e+01 + 4.760908e-01 8.504319e-01 -2.238373e-01 -1.855652e+01 + 1.091857e-01 1.954012e-01 9.746265e-01 2.628525e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 72 +Solution: 208 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.996759e-01 -4.313685e-01 6.711454e-02 -4.833362e+01 + 4.299399e-01 8.488350e-01 -3.076212e-01 -1.392459e+01 + 7.572894e-02 3.056146e-01 9.491390e-01 2.308225e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 73 +Solution: 209 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.218468e-01 -3.658567e-01 1.278571e-01 -5.437292e+01 + 3.858412e-01 8.354008e-01 -3.914487e-01 -8.797103e+00 + 3.640216e-02 4.101882e-01 9.112741e-01 2.078866e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 74 +Solution: 210 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.689990e-01 -4.827321e-01 -1.086757e-01 -4.193693e+01 + 4.806889e-01 8.756825e-01 -4.602577e-02 -2.104579e+01 + 1.173835e-01 -1.224285e-02 9.930112e-01 3.747568e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 72 +Solution: 211 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.987316e-01 -4.364204e-01 -4.264757e-02 -4.758089e+01 + 4.279857e-01 8.941944e-01 -1.313185e-01 -1.696766e+01 + 9.544529e-02 9.976753e-02 9.904225e-01 3.302898e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 72 +Solution: 212 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.236447e-01 -3.828022e-01 1.851590e-02 -5.318658e+01 + 3.772621e-01 8.996456e-01 -2.197978e-01 -1.230582e+01 + 6.748136e-02 2.100005e-01 9.753697e-01 2.928297e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 73 +Solution: 213 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.435565e-01 -3.227925e-01 7.420346e-02 -5.868221e+01 + 3.294805e-01 8.918898e-01 -3.097986e-01 -7.146217e+00 + 3.381937e-02 3.167611e-01 9.479022e-01 2.630530e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 73 +Solution: 214 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.583520e-01 -2.573083e-01 1.239109e-01 -6.400246e+01 + 2.855440e-01 8.710732e-01 -3.996199e-01 -1.586337e+00 + -5.109937e-03 4.183586e-01 9.082676e-01 2.415321e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 74 +Solution: 215 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.947286e-01 -4.258193e-01 -1.346798e-01 -4.751180e+01 + 4.358245e-01 8.983481e-01 5.502455e-02 -1.856461e+01 + 9.755887e-02 -1.079288e-01 9.893602e-01 4.484948e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 74 +Solution: 216 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.226677e-01 -3.783724e-01 -7.428786e-02 -5.303690e+01 + 3.770787e-01 9.256531e-01 -3.127368e-02 -1.443453e+01 + 8.059788e-02 8.428472e-04 9.967463e-01 4.009731e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 74 +Solution: 217 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.453587e-01 -3.254711e-01 -1.911710e-02 -5.837588e+01 + 3.208401e-01 9.391260e-01 -1.228983e-01 -9.717506e+00 + 5.795321e-02 1.100494e-01 9.922351e-01 3.588442e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 75 +Solution: 218 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.628699e-01 -2.682260e-01 3.060064e-02 -6.347002e+01 + 2.683235e-01 9.383600e-01 -2.179058e-01 -4.508611e+00 + 2.973359e-02 2.180258e-01 9.754900e-01 3.229825e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 73 +Solution: 219 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.753424e-01 -2.076332e-01 7.480478e-02 -6.827450e+01 + 2.206642e-01 9.233374e-01 -3.142535e-01 1.081578e+00 + -3.820587e-03 3.230115e-01 9.463873e-01 2.941885e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 73 +Solution: 220 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.829605e-01 -1.445408e-01 1.135630e-01 -7.275752e+01 + 1.788762e-01 8.944311e-01 -4.098736e-01 6.930985e+00 + -4.233080e-02 4.232033e-01 9.050454e-01 2.731524e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 76 +Solution: 221 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.177185e-01 -3.678662e-01 -1.498908e-01 -5.293099e+01 + 3.897129e-01 9.068583e-01 1.604117e-01 -1.516455e+01 + 7.691967e-02 -2.056272e-01 9.756028e-01 5.244915e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 74 +Solution: 222 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.437616e-01 -3.169269e-01 -9.418813e-02 -5.846734e+01 + 3.241685e-01 9.430161e-01 7.506969e-02 -1.092298e+01 + 6.502931e-02 -1.013807e-01 9.927201e-01 4.745813e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 77 +Solution: 223 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.640278e-01 -2.620261e-01 -4.464047e-02 -6.367929e+01 + 2.614689e-01 9.650441e-01 -1.799822e-02 -6.100194e+00 + 4.779602e-02 5.678693e-03 9.988410e-01 4.283439e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 75 +Solution: 224 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.788355e-01 -2.046449e-01 -1.215787e-03 -6.851066e+01 + 2.031093e-01 9.721833e-01 -1.166455e-01 -7.974494e-01 + 2.505287e-02 1.139298e-01 9.931729e-01 3.868977e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 75 +Solution: 225 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.886053e-01 -1.460598e-01 3.641477e-02 -7.292751e+01 + 1.504969e-01 9.641561e-01 -2.185261e-01 4.863609e+00 + -3.191647e-03 2.215164e-01 9.751514e-01 3.513278e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 75 +Solution: 226 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.938058e-01 -8.726726e-02 6.880731e-02 -7.691731e+01 + 1.048853e-01 9.411844e-01 -3.212024e-01 1.074628e+01 + -3.672992e-02 3.264297e-01 9.445076e-01 3.226135e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 78 +Solution: 227 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.948973e-01 -2.894173e-02 9.665290e-02 -8.048583e+01 + 6.731835e-02 9.039734e-01 -4.222563e-01 1.670534e+01 + -7.515082e-02 4.266081e-01 9.013090e-01 3.015659e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 76 +Solution: 228 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.614923e-01 -2.551697e-01 -1.020829e-01 -6.364661e+01 + 2.704543e-01 9.445165e-01 1.863949e-01 -6.436873e+00 + 4.885667e-02 -2.068260e-01 9.771571e-01 5.510021e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 76 +Solution: 229 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.789902e-01 -1.957284e-01 -5.717203e-02 -6.885018e+01 + 2.004449e-01 9.752149e-01 9.368949e-02 -1.442905e+00 + 3.741733e-02 -1.031809e-01 9.939586e-01 5.010347e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 77 +Solution: 230 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.906142e-01 -1.352562e-01 -1.972851e-02 -7.354646e+01 + 1.351402e-01 9.908010e-01 -7.104818e-03 4.018882e+00 + 2.050799e-02 4.372019e-03 9.997801e-01 4.542234e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 77 +Solution: 231 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.970845e-01 -7.552988e-02 1.085147e-02 -7.770115e+01 + 7.627411e-02 9.906190e-01 -1.133852e-01 9.817702e+00 + -2.185707e-03 1.138823e-01 9.934918e-01 4.120245e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 79 +Solution: 232 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.992058e-01 -1.793367e-02 3.558212e-02 -8.131184e+01 + 2.541033e-02 9.746381e-01 -2.223397e-01 1.580162e+01 + -3.069232e-02 2.230673e-01 9.743197e-01 3.758110e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 78 +Solution: 233 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.977721e-01 3.664637e-02 5.574852e-02 -8.440483e+01 + -1.615087e-02 9.434520e-01 -3.311156e-01 2.180673e+01 + -6.473023e-02 3.294775e-01 9.419419e-01 3.467506e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 78 +Solution: 234 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.934739e-01 8.785937e-02 7.273465e-02 -8.702820e+01 + -4.744280e-02 8.982183e-01 -4.369817e-01 2.766767e+01 + -1.037245e-01 4.306792e-01 8.965248e-01 3.257153e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 80 +Solution: 235 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.469631e-01 -5.730940e-01 -7.813914e-01 2.292123e+01 + 9.457979e-01 3.180492e-01 6.565863e-02 -3.205274e+01 + 2.108923e-01 -7.552536e-01 6.205775e-01 7.309347e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 80 +Solution: 236 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.486113e-01 -5.830724e-01 -7.338233e-01 1.396589e+01 + 9.190656e-01 3.662088e-01 1.456351e-01 -3.264576e+01 + 1.838168e-01 -7.252018e-01 6.635463e-01 7.370526e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 80 +Solution: 237 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.987946e-01 -5.163120e-01 -8.025856e-01 1.493132e+01 + 9.427682e-01 2.901445e-01 1.643301e-01 -3.049539e+01 + 1.480202e-01 -8.057531e-01 5.734561e-01 8.197031e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 81 +Solution: 238 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.477356e-01 -5.808857e-01 -6.797828e-01 4.517651e+00 + 8.806923e-01 4.179638e-01 2.229067e-01 -3.236438e+01 + 1.546413e-01 -6.984827e-01 6.987188e-01 7.472989e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 80 +Solution: 239 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.992094e-01 -5.279584e-01 -7.495944e-01 6.167702e+00 + 9.086519e-01 3.369715e-01 2.465806e-01 -3.033838e+01 + 1.224076e-01 -7.795577e-01 6.142526e-01 8.267764e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 82 +Solution: 240 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.542324e-01 -4.644669e-01 -8.116587e-01 6.853235e+00 + 9.314576e-01 2.523710e-01 2.620985e-01 -2.760085e+01 + 8.310310e-02 -8.488695e-01 5.220292e-01 9.062332e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 81 +Solution: 241 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.429715e-01 -5.669576e-01 -6.194684e-01 -5.272523e+00 + 8.304371e-01 4.720856e-01 2.958200e-01 -3.110970e+01 + 1.247247e-01 -6.750513e-01 7.271516e-01 7.603592e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 81 +Solution: 242 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.975082e-01 -5.271545e-01 -6.889076e-01 -3.147080e+00 + 8.622759e-01 3.872166e-01 3.264100e-01 -2.924065e+01 + 9.468799e-02 -7.564201e-01 6.471961e-01 8.378278e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 82 +Solution: 243 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.534737e-01 -4.774111e-01 -7.526222e-01 -1.747721e+00 + 8.893489e-01 2.977904e-01 3.469575e-01 -2.663452e+01 + 5.848233e-02 -8.266798e-01 5.596251e-01 9.148178e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 82 +Solution: 244 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.115625e-01 -4.185117e-01 -8.096075e-01 -1.096511e+00 + 9.112289e-01 2.052170e-01 3.571384e-01 -2.333239e+01 + 1.667865e-02 -8.847225e-01 4.658196e-01 9.901150e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 83 +Solution: 245 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.329621e-01 -5.415735e-01 -5.532243e-01 -1.526187e+01 + 7.682890e-01 5.274204e-01 3.627116e-01 -2.880832e+01 + 9.534678e-02 -6.546188e-01 7.499221e-01 7.748500e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 81 +Solution: 246 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.920353e-01 -5.140815e-01 -6.206565e-01 -1.284947e+01 + 8.031756e-01 4.397799e-01 4.018738e-01 -2.708912e+01 + 6.635636e-02 -7.364196e-01 6.732630e-01 8.514917e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 84 +Solution: 247 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.507246e-01 -4.777257e-01 -6.844564e-01 -1.092667e+01 + 8.340763e-01 3.463355e-01 4.293815e-01 -2.462715e+01 + 3.192500e-02 -8.073598e-01 5.891951e-01 9.271203e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 84 +Solution: 248 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.095543e-01 -4.326899e-01 -7.437297e-01 -9.534207e+00 + 8.604071e-01 2.488535e-01 4.447151e-01 -2.146898e+01 + -7.344010e-03 -8.665168e-01 4.990938e-01 1.000599e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 85 +Solution: 249 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.690877e-01 -3.792766e-01 -7.975625e-01 -8.709610e+00 + 8.816900e-01 1.491854e-01 4.476231e-01 -1.767674e+01 + -5.078831e-02 -9.131774e-01 4.043854e-01 1.070857e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 83 +Solution: 250 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.163459e-01 -5.048904e-01 -4.815956e-01 -2.531394e+01 + 6.944508e-01 5.828967e-01 4.218644e-01 -2.541112e+01 + 6.772520e-02 -6.366452e-01 7.681771e-01 7.892973e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 83 +Solution: 251 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.810957e-01 -4.887941e-01 -5.451505e-01 -2.277899e+01 + 7.311596e-01 4.936098e-01 4.709087e-01 -2.379831e+01 + 3.891427e-02 -7.193259e-01 6.935820e-01 8.662122e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 84 +Solution: 252 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.439770e-01 -4.653622e-01 -6.072328e-01 -2.050105e+01 + 7.650276e-01 3.970338e-01 5.070472e-01 -2.145816e+01 + 5.131332e-03 -7.910766e-01 6.116956e-01 9.416376e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 84 +Solution: 253 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.053106e-01 -4.341929e-01 -6.671399e-01 -1.853531e+01 + 7.953077e-01 2.952218e-01 5.294617e-01 -1.843773e+01 + -3.293425e-02 -8.510703e-01 5.240178e-01 1.014409e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 85 +Solution: 254 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.655154e-01 -3.949637e-01 -7.240139e-01 -1.694195e+01 + 8.213627e-01 1.903759e-01 5.376991e-01 -1.480409e+01 + -7.453681e-02 -8.987551e-01 4.320689e-01 1.083467e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 85 +Solution: 255 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.251087e-01 -3.474911e-01 -7.768595e-01 -1.578268e+01 + 8.426877e-01 8.476744e-02 5.316878e-01 -1.064184e+01 + -1.189044e-01 -9.338439e-01 3.373386e-01 1.147884e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 86 +Solution: 256 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.917477e-01 -4.569360e-01 -4.053950e-01 -3.529759e+01 + 6.093313e-01 6.375268e-01 4.714604e-01 -2.089249e+01 + 4.302295e-02 -6.202976e-01 7.831858e-01 8.021043e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 86 +Solution: 257 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.629397e-01 -4.511943e-01 -4.629760e-01 -3.277802e+01 + 6.463206e-01 5.477385e-01 5.312741e-01 -1.931319e+01 + 1.388195e-02 -7.045610e-01 7.095076e-01 8.802076e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 87 +Solution: 258 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.311303e-01 -4.401372e-01 -5.212751e-01 -3.028671e+01 + 6.819419e-01 4.489715e-01 5.773906e-01 -1.704190e+01 + -2.009341e-02 -7.776271e-01 6.284047e-01 9.565444e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 87 +Solution: 259 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.964060e-01 -4.227747e-01 -5.798967e-01 -2.789026e+01 + 7.152918e-01 3.434872e-01 6.085838e-01 -1.412195e+01 + -5.810678e-02 -8.386168e-01 5.416138e-01 1.029813e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 88 +Solution: 260 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.590033e-01 -3.981269e-01 -6.381298e-01 -2.566956e+01 + 7.455602e-01 2.337980e-01 6.240821e-01 -1.062135e+01 + -9.927038e-02 -8.870363e-01 4.509012e-01 1.098850e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 88 +Solution: 261 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.193190e-01 -3.653384e-01 -6.949617e-01 -2.371408e+01 + 7.720705e-01 1.225545e-01 6.236085e-01 -6.630047e+00 + -1.426575e-01 -9.227721e-01 3.579673e-01 1.162676e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 89 +Solution: 262 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.779040e-01 -3.237840e-01 -7.491268e-01 -2.211509e+01 + 7.943075e-01 1.242226e-02 6.073889e-01 -2.255504e+00 + -1.873570e-01 -9.460495e-01 2.643629e-01 1.220530e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 86 +Solution: 263 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.577725e-01 -3.975995e-01 -3.257929e-01 -4.508666e+01 + 5.135439e-01 6.904001e-01 5.095297e-01 -1.524959e+01 + 2.233869e-02 -6.043694e-01 7.963910e-01 8.115112e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 86 +Solution: 264 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.357570e-01 -4.009887e-01 -3.751245e-01 -4.269326e+01 + 5.490523e-01 6.013107e-01 5.804886e-01 -1.361212e+01 + -7.202968e-03 -6.911103e-01 7.227134e-01 8.914166e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 87 +Solution: 265 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.099892e-01 -4.016515e-01 -4.273097e-01 -4.010191e+01 + 5.849511e-01 5.013697e-01 6.375426e-01 -1.133574e+01 + -4.182979e-02 -7.663579e-01 6.410505e-01 9.696347e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 87 +Solution: 266 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.802871e-01 -3.980144e-01 -4.824277e-01 -3.738658e+01 + 6.201979e-01 3.929365e-01 6.789371e-01 -8.454825e+00 + -8.066332e-02 -8.289665e-01 5.534510e-01 1.044623e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 88 +Solution: 267 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.466621e-01 -3.883786e-01 -5.400536e-01 -3.464799e+01 + 6.537999e-01 2.787816e-01 7.034391e-01 -5.033906e+00 + -1.226436e-01 -8.783182e-01 4.620775e-01 1.114974e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 88 +Solution: 268 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.093498e-01 -3.711155e-01 -5.992463e-01 -3.200527e+01 + 6.848824e-01 1.619396e-01 7.104306e-01 -1.165730e+00 + -1.666101e-01 -9.143571e-01 3.690423e-01 1.179514e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 89 +Solution: 269 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.688121e-01 -3.448583e-01 -6.586069e-01 -2.958480e+01 + 7.127419e-01 4.552683e-02 6.999473e-01 3.034197e+00 + -2.113983e-01 -9.375500e-01 2.762439e-01 1.237373e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 89 +Solution: 270 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.257096e-01 -3.086551e-01 -7.163934e-01 -2.750845e+01 + 7.368755e-01 -6.744185e-02 6.726560e-01 7.435624e+00 + -2.559336e-01 -9.487801e-01 1.852414e-01 1.288020e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 90 +Solution: 271 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.344089e-01 -6.255480e-01 2.633121e-01 -2.253592e+01 + 6.594472e-01 5.659109e-01 -4.948477e-01 -1.808247e+01 + 1.605398e-01 5.370609e-01 8.281259e-01 2.290389e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 90 +Solution: 272 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.505203e-01 -5.621485e-01 3.474311e-01 -2.797401e+01 + 6.498228e-01 5.321479e-01 -5.427236e-01 -1.507970e+01 + 1.202066e-01 6.330937e-01 7.646847e-01 6.705563e-01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 90 +Solution: 273 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.018906e-01 -5.352895e-01 2.653990e-01 -3.398384e+01 + 5.885831e-01 6.314138e-01 -5.048629e-01 -1.530394e+01 + 1.026713e-01 5.610542e-01 8.213871e-01 6.260389e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 91 +Solution: 274 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.657800e-01 -4.834181e-01 4.241320e-01 -3.419498e+01 + 6.390656e-01 4.982400e-01 -5.859625e-01 -1.197989e+01 + 7.194537e-02 7.197666e-01 6.904781e-01 3.595208e-01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 90 +Solution: 275 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.156196e-01 -4.688302e-01 3.390619e-01 -3.934367e+01 + 5.754550e-01 5.964094e-01 -5.595958e-01 -1.188305e+01 + 6.013571e-02 6.515321e-01 7.562338e-01 5.170661e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 90 +Solution: 276 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.600986e-01 -4.386295e-01 2.604506e-01 -4.492312e+01 + 5.078710e-01 6.883057e-01 -5.179791e-01 -1.110901e+01 + 4.793127e-02 5.777884e-01 8.147780e-01 1.036135e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 91 +Solution: 277 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.791666e-01 -3.906439e-01 4.902006e-01 -4.101929e+01 + 6.265963e-01 4.646778e-01 -6.256609e-01 -8.754306e+00 + 1.662524e-02 7.946520e-01 6.068375e-01 1.413025e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 91 +Solution: 278 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.281422e-01 -3.877891e-01 4.047224e-01 -4.540838e+01 + 5.604267e-01 5.598058e-01 -6.103601e-01 -8.207999e+00 + 1.012509e-02 7.322821e-01 6.809261e-01 5.367181e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 92 +Solution: 279 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.712859e-01 -3.688833e-01 3.237066e-01 -5.020333e+01 + 4.907660e-01 6.507132e-01 -5.794144e-01 -7.149022e+00 + 3.096130e-03 6.636998e-01 7.479927e-01 9.753267e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 92 +Solution: 280 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.082373e-01 -3.364629e-01 2.487925e-01 -5.522978e+01 + 4.184426e-01 7.349231e-01 -5.336608e-01 -5.507625e+00 + -3.286300e-03 5.887960e-01 8.082750e-01 1.446843e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 93 +Solution: 281 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.897440e-01 -2.859804e-01 5.426967e-01 -4.822603e+01 + 6.118198e-01 4.313922e-01 -6.630063e-01 -5.340020e+00 + -4.450827e-02 8.556378e-01 5.156579e-01 3.831961e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 91 +Solution: 282 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.384206e-01 -2.935396e-01 4.592226e-01 -5.199212e+01 + 5.430398e-01 5.217405e-01 -6.579473e-01 -4.241800e+00 + -4.646146e-02 8.010127e-01 5.968416e-01 6.894896e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 92 +Solution: 283 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.807238e-01 -2.851924e-01 3.781414e-01 -5.609871e+01 + 4.711046e-01 6.098341e-01 -6.373091e-01 -2.775332e+00 + -4.884776e-02 7.394374e-01 6.714508e-01 1.042209e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 92 +Solution: 284 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.164599e-01 -2.632289e-01 3.013498e-01 -6.040199e+01 + 3.969222e-01 6.932005e-01 -6.016027e-01 -8.795975e-01 + -5.053659e-02 6.709572e-01 7.397719e-01 1.430571e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 92 +Solution: 285 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.455287e-01 -2.298469e-01 2.305339e-01 -6.477133e+01 + 3.215664e-01 7.697363e-01 -5.514536e-01 1.470199e+00 + -5.070040e-02 5.955472e-01 8.017188e-01 1.847122e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 93 +Solution: 286 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.967503e-01 -1.723274e-01 5.792170e-01 -5.556910e+01 + 5.942297e-01 3.977403e-01 -6.990664e-01 -1.649550e+00 + -1.099096e-01 9.011692e-01 4.193017e-01 7.555720e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 93 +Solution: 287 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.454817e-01 -1.883152e-01 4.996980e-01 -5.886624e+01 + 5.228931e-01 4.818491e-01 -7.031389e-01 7.627001e-02 + -1.083673e-01 8.557797e-01 5.058633e-01 9.743998e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 94 +Solution: 288 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.873071e-01 -1.891445e-01 4.206073e-01 -6.240486e+01 + 4.486119e-01 5.654565e-01 -6.921028e-01 2.051129e+00 + -1.069277e-01 8.027972e-01 5.865860e-01 1.240074e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 92 +Solution: 289 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.221728e-01 -1.767689e-01 3.440204e-01 -6.607410e+01 + 3.723782e-01 6.462081e-01 -6.661453e-01 4.320367e+00 + -1.045550e-01 7.424068e-01 6.617404e-01 1.541884e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 95 +Solution: 290 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.501025e-01 -1.530910e-01 2.717874e-01 -6.977240e+01 + 2.953127e-01 7.220812e-01 -6.256110e-01 6.898823e+00 + -1.004772e-01 6.746569e-01 7.312608e-01 1.872454e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 95 +Solution: 291 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.712466e-01 -1.200377e-01 2.055991e-01 -7.340793e+01 + 2.186650e-01 7.913200e-01 -5.709626e-01 9.774413e+00 + -9.415762e-02 5.995028e-01 7.948149e-01 2.227209e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 96 +Solution: 292 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.996574e-01 -5.310937e-02 5.981032e-01 -6.279612e+01 + 5.735106e-01 3.625987e-01 -7.345800e-01 2.413657e+00 + -1.778584e-01 9.304309e-01 3.204135e-01 1.246386e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 96 +Solution: 293 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.485016e-01 -7.510502e-02 5.238361e-01 -6.577407e+01 + 4.997512e-01 4.392926e-01 -7.465057e-01 4.818382e+00 + -1.740510e-01 8.951990e-01 4.102743e-01 1.384465e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 94 +Solution: 294 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.899945e-01 -8.322997e-02 4.483108e-01 -6.887225e+01 + 4.231686e-01 5.169408e-01 -7.441106e-01 7.379438e+00 + -1.698178e-01 8.519654e-01 4.952948e-01 1.566544e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 94 +Solution: 295 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.241843e-01 -7.904951e-02 3.736770e-01 -7.201187e+01 + 3.448256e-01 5.934113e-01 -7.272952e-01 1.012183e+01 + -1.642519e-01 8.010082e-01 5.756797e-01 1.782581e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 95 +Solution: 296 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.511906e-01 -6.412179e-02 3.018688e-01 -7.512044e+01 + 2.658813e-01 6.668515e-01 -6.961438e-01 1.304611e+01 + -1.566636e-01 7.424268e-01 6.513517e-01 2.025673e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 95 +Solution: 297 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.712500e-01 -4.004830e-02 2.346692e-01 -7.813321e+01 + 1.875960e-01 7.356375e-01 -6.508803e-01 1.613079e+01 + -1.465648e-01 6.761905e-01 7.220008e-01 2.291599e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 95 +Solution: 298 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.847533e-01 -8.530049e-03 1.737475e-01 -8.099351e+01 + 1.113367e-01 7.983350e-01 -5.918322e-01 1.933391e+01 + -1.336604e-01 6.021532e-01 7.871127e-01 2.578663e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 96 +Solution: 299 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.468720e-01 4.254182e-02 5.300924e-01 -7.244903e+01 + 4.736457e-01 3.928903e-01 -7.882240e-01 1.005050e+01 + -2.418006e-01 9.186008e-01 3.125780e-01 1.906928e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 97 +Solution: 300 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.879066e-01 2.926157e-02 4.590922e-01 -7.522220e+01 + 3.949251e-01 4.633080e-01 -7.933346e-01 1.325235e+01 + -2.359153e-01 8.857141e-01 3.998181e-01 2.013181e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 97 +Solution: 301 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.214034e-01 2.698821e-02 3.876693e-01 -7.793562e+01 + 3.145590e-01 5.339721e-01 -7.848098e-01 1.654526e+01 + -2.281852e-01 8.450712e-01 4.835143e-01 2.148490e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 98 +Solution: 302 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.475451e-01 3.452529e-02 3.177518e-01 -8.054350e+01 + 2.337233e-01 6.032736e-01 -7.625185e-01 1.991341e+01 + -2.180174e-01 7.967867e-01 5.635596e-01 2.306763e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 98 +Solution: 303 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.666264e-01 5.061749e-02 2.511398e-01 -8.300652e+01 + 1.536728e-01 6.697884e-01 -7.264766e-01 2.332355e+01 + -2.049829e-01 7.408248e-01 6.396566e-01 2.484354e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 99 +Solution: 304 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.790872e-01 7.390942e-02 1.895408e-01 -8.529266e+01 + 7.574726e-02 7.322494e-01 -6.768111e-01 2.672588e+01 + -1.888138e-01 6.770142e-01 7.113375e-01 2.679941e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 100 +Solution: 305 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.581728e-01 2.488771e-01 4.489985e-01 -8.514787e+01 + 3.613723e-01 3.283500e-01 -8.726949e-01 2.442056e+01 + -3.646224e-01 9.111786e-01 1.918437e-01 3.123184e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 100 +Solution: 306 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.305418e-01 3.518597e-01 4.317349e-01 -8.849774e+01 + 3.607935e-01 2.506374e-01 -8.983368e-01 2.905554e+01 + -4.242974e-01 9.018734e-01 8.121612e-02 3.764764e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 100 +Solution: 307 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.935866e-01 2.344331e-01 3.828107e-01 -8.735196e+01 + 2.749321e-01 3.883027e-01 -8.795643e-01 2.894527e+01 + -3.548454e-01 8.912139e-01 2.825289e-01 3.117656e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 100 +Solution: 308 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.687978e-01 3.298730e-01 3.692888e-01 -9.054035e+01 + 2.717972e-01 3.057014e-01 -9.125091e-01 3.412347e+01 + -4.139042e-01 8.931576e-01 1.759342e-01 3.687128e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 101 +Solution: 309 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.389714e-01 4.219656e-01 3.436161e-01 -9.302941e+01 + 2.728619e-01 2.201227e-01 -9.365321e-01 3.905634e+01 + -4.708220e-01 8.794834e-01 6.953829e-02 4.327119e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 102 +Solution: 310 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.209626e-01 2.296816e-01 3.147607e-01 -8.936928e+01 + 1.863528e-01 4.497995e-01 -8.734718e-01 3.353376e+01 + -3.421997e-01 8.630914e-01 3.714467e-01 3.133464e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 100 +Solution: 311 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.985632e-01 3.180935e-01 3.023255e-01 -9.237519e+01 + 1.788914e-01 3.635707e-01 -9.142288e-01 3.934717e+01 + -4.007269e-01 8.755758e-01 2.697870e-01 3.635396e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 101 +Solution: 312 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.712678e-01 4.031156e-01 2.799826e-01 -9.470000e+01 + 1.774415e-01 2.731574e-01 -9.454626e-01 4.481601e+01 + -4.576101e-01 8.734316e-01 1.664638e-01 4.207340e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 101 +Solution: 313 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.395068e-01 4.834071e-01 2.480844e-01 -9.630705e+01 + 1.820259e-01 1.799857e-01 -9.666808e-01 4.985400e+01 + -5.119520e-01 8.566929e-01 6.310663e-02 4.840274e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 102 +Solution: 314 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.403637e-01 2.339536e-01 2.469451e-01 -9.117409e+01 + 9.693063e-02 5.115631e-01 -8.537609e-01 3.813819e+01 + -3.260684e-01 8.267823e-01 4.583781e-01 3.165161e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 102 +Solution: 315 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.195791e-01 3.162181e-01 2.331958e-01 -9.396887e+01 + 8.338020e-02 4.229394e-01 -9.023137e-01 4.467796e+01 + -3.839557e-01 8.491928e-01 3.625599e-01 3.601800e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 103 +Solution: 316 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.942428e-01 3.944685e-01 2.114816e-01 -9.608478e+01 + 7.760363e-02 3.286931e-01 -9.412431e-01 5.079351e+01 + -4.408032e-01 8.581116e-01 2.633193e-01 4.108046e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 101 +Solution: 317 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.648015e-01 4.678357e-01 1.823405e-01 -9.751461e+01 + 7.973216e-02 2.305885e-01 -9.697792e-01 5.636809e+01 + -4.957430e-01 8.532050e-01 1.621117e-01 4.677331e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 104 +Solution: 318 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.317124e-01 5.355700e-01 1.463532e-01 -9.825907e+01 + 8.972551e-02 1.304793e-01 -9.873826e-01 6.129638e+01 + -5.479086e-01 8.343500e-01 6.046694e-02 5.301858e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 105 +Solution: 319 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.520194e-01 2.464239e-01 1.814780e-01 -9.274701e+01 + 8.124148e-03 5.724340e-01 -8.199106e-01 4.268937e+01 + -3.059298e-01 7.820451e-01 5.429663e-01 3.209456e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 103 +Solution: 320 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.317660e-01 3.237264e-01 1.643574e-01 -9.529231e+01 + -1.319170e-02 4.825900e-01 -8.757470e-01 5.004036e+01 + -3.628197e-01 8.138231e-01 4.539315e-01 3.580417e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 103 +Solution: 321 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.074365e-01 3.959033e-01 1.407818e-01 -9.714346e+01 + -2.509550e-02 3.855094e-01 -9.223626e-01 5.691083e+01 + -4.194391e-01 8.334525e-01 3.597607e-01 4.020891e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 103 +Solution: 322 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.795926e-01 4.624520e-01 1.116019e-01 -9.832607e+01 + -2.727235e-02 2.832239e-01 -9.586660e-01 6.315053e+01 + -4.749453e-01 8.401919e-01 2.617338e-01 4.526964e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 104 +Solution: 323 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.487404e-01 5.230794e-01 7.763830e-02 -9.887262e+01 + -1.965804e-02 1.779248e-01 -9.838477e-01 6.862406e+01 + -5.284443e-01 8.335050e-01 1.612947e-01 5.093000e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 104 +Solution: 324 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.153126e-01 5.776628e-01 3.963659e-02 -9.881846e+01 + -2.441694e-03 7.188394e-02 -9.974100e-01 7.321579e+01 + -5.790159e-01 8.131042e-01 6.001836e-02 5.711648e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 105 +Solution: 325 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.563879e-01 2.660683e-01 1.205397e-01 -9.407845e+01 + -7.841090e-02 6.313726e-01 -7.715052e-01 4.709337e+01 + -2.813786e-01 7.284066e-01 6.246998e-01 3.265523e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 105 +Solution: 326 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.353129e-01 3.398496e-01 9.844850e-02 -9.632745e+01 + -1.089825e-01 5.414295e-01 -8.336528e-01 5.532482e+01 + -3.366195e-01 7.689970e-01 5.434436e-01 3.567671e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 106 +Solution: 327 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.106722e-01 4.070102e-01 7.084314e-02 -9.784611e+01 + -1.287217e-01 4.424848e-01 -8.874897e-01 6.304999e+01 + -3.925644e-01 7.990931e-01 4.553497e-01 3.939328e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 106 +Solution: 328 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.832557e-01 4.672681e-01 3.898550e-02 -9.869518e+01 + -1.370413e-01 3.367658e-01 -9.315624e-01 7.008097e+01 + -4.484183e-01 8.174652e-01 3.614854e-01 4.379913e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 107 +Solution: 329 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.537350e-01 5.206917e-01 4.083323e-03 -9.894467e+01 + -1.336879e-01 2.267625e-01 -9.647312e-01 7.624655e+01 + -5.032535e-01 8.230789e-01 2.632052e-01 4.886395e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 107 +Solution: 330 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.226212e-01 5.676429e-01 -3.280052e-02 -9.866623e+01 + -1.187571e-01 1.151134e-01 -9.862280e-01 8.140030e+01 + -5.560495e-01 8.151874e-01 1.621063e-01 5.453142e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 108 +Solution: 331 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.902433e-01 6.086872e-01 -7.081965e-02 -9.792578e+01 + -9.268554e-02 4.485134e-03 -9.956853e-01 8.542703e+01 + -6.057433e-01 7.933976e-01 5.996085e-02 6.072026e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 109 +Solution: 332 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.308020e-01 3.635055e-01 3.835933e-02 -9.707523e+01 + -2.017904e-01 5.985219e-01 -7.752756e-01 6.037994e+01 + -3.047758e-01 7.138875e-01 6.304573e-01 3.563223e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 106 +Solution: 333 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.042143e-01 4.270495e-01 5.017369e-03 -9.818571e+01 + -2.308852e-01 4.986811e-01 -8.354694e-01 6.904101e+01 + -3.592889e-01 7.542850e-01 5.495140e-01 3.859670e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 106 +Solution: 334 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.756159e-01 4.819548e-01 -3.188190e-02 -9.859911e+01 + -2.470974e-01 3.902553e-01 -8.869294e-01 7.698127e+01 + -4.150178e-01 7.844874e-01 4.608035e-01 4.228930e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 107 +Solution: 335 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.459896e-01 5.285035e-01 -7.060827e-02 -9.842827e+01 + -2.498766e-01 2.759880e-01 -9.281122e-01 8.398606e+01 + -4.710236e-01 8.028167e-01 3.655437e-01 4.671637e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 107 +Solution: 336 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.160689e-01 5.674687e-01 -1.095941e-01 -9.779080e+01 + -2.391312e-01 1.588943e-01 -9.578982e-01 8.986873e+01 + -5.261633e-01 8.079182e-01 2.653681e-01 5.184534e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 108 +Solution: 337 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.862792e-01 5.999881e-01 -1.475780e-01 -9.679605e+01 + -2.152324e-01 4.207986e-02 -9.756558e-01 9.448177e+01 + -5.791718e-01 7.989015e-01 1.622234e-01 5.760445e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 108 +Solution: 338 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.567230e-01 6.273936e-01 -1.837050e-01 -9.553340e+01 + -1.789806e-01 -7.144273e-02 -9.812553e-01 9.772428e+01 + -6.287576e-01 7.754181e-01 5.822893e-02 6.388757e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 110 +Solution: 339 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.212779e-01 4.012176e-01 5.646083e-01 -8.173180e+01 + 5.507765e-01 1.620585e-01 -8.187687e-01 1.639378e+01 + -4.200040e-01 9.015329e-01 -1.040920e-01 3.790213e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 110 +Solution: 340 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.752238e-01 4.955603e-01 5.463449e-01 -8.288024e+01 + 5.757656e-01 1.088694e-01 -8.103342e-01 1.713753e+01 + -4.610496e-01 8.617235e-01 -2.118154e-01 4.435484e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 110 +Solution: 341 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.431345e-01 4.690170e-01 4.772568e-01 -8.737048e+01 + 4.726765e-01 1.368986e-01 -8.705376e-01 2.522476e+01 + -4.736327e-01 8.725146e-01 -1.199593e-01 4.457816e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 111 +Solution: 342 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.260627e-01 5.886921e-01 5.113581e-01 -8.361532e+01 + 5.978764e-01 5.859419e-02 -7.994439e-01 1.796973e+01 + -5.005889e-01 8.062310e-01 -3.152815e-01 5.156120e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 110 +Solution: 343 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.984975e-01 5.549800e-01 4.517726e-01 -8.814036e+01 + 4.981779e-01 7.609838e-02 -8.637290e-01 2.636698e+01 + -5.137315e-01 8.283757e-01 -2.233243e-01 5.117915e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 101 +Solution: 344 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.580271e-01 5.283989e-01 3.823473e-01 -9.185465e+01 + 3.909254e-01 1.011674e-01 -9.148456e-01 3.497830e+01 + -5.220845e-01 8.429470e-01 -1.298769e-01 5.078848e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 111 +Solution: 345 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.748053e-01 6.771548e-01 4.594130e-01 -8.382941e+01 + 6.169236e-01 1.022974e-02 -7.869565e-01 1.896842e+01 + -5.375911e-01 7.357695e-01 -4.118727e-01 5.937598e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 111 +Solution: 346 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.509857e-01 6.388436e-01 4.099956e-01 -8.846837e+01 + 5.209864e-01 1.680442e-02 -8.533995e-01 2.765836e+01 + -5.520786e-01 7.691531e-01 -3.218894e-01 5.847465e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 112 +Solution: 347 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.145715e-01 6.060069e-01 3.494898e-01 -9.222516e+01 + 4.169738e-01 3.217941e-02 -9.083487e-01 3.654468e+01 + -5.617120e-01 7.948082e-01 -2.296945e-01 5.756527e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 112 +Solution: 348 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.654854e-01 5.788894e-01 2.809257e-01 -9.511709e+01 + 3.068342e-01 5.535587e-02 -9.501518e-01 4.549990e+01 + -5.655837e-01 8.135249e-01 -1.352490e-01 5.651835e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 113 +Solution: 349 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.227305e-01 7.574674e-01 3.911470e-01 -8.344127e+01 + 6.329525e-01 -3.748873e-02 -7.732824e-01 2.020396e+01 + -5.710726e-01 6.517958e-01 -4.990374e-01 6.761560e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 112 +Solution: 350 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.016033e-01 7.171568e-01 3.517948e-01 -8.824704e+01 + 5.410139e-01 -4.179997e-02 -8.399743e-01 2.915570e+01 + -5.876882e-01 6.956572e-01 -4.131388e-01 6.631837e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 112 +Solution: 351 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.683781e-01 6.803798e-01 3.005896e-01 -9.210158e+01 + 4.405877e-01 -3.653946e-02 -8.969656e-01 3.830330e+01 + -5.992939e-01 7.319483e-01 -3.241892e-01 6.498674e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 112 +Solution: 352 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.229144e-01 6.477514e-01 2.404432e-01 -9.503739e+01 + 3.335463e-01 -2.240929e-02 -9.424673e-01 4.750867e+01 + -6.050963e-01 7.615222e-01 -2.322551e-01 6.349846e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 104 +Solution: 353 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.652061e-01 6.198042e-01 1.740759e-01 -9.709398e+01 + 2.218131e-01 1.096097e-05 -9.750892e-01 5.662329e+01 + -6.043662e-01 7.847565e-01 -1.374723e-01 6.176490e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 113 +Solution: 354 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.713028e-01 8.264163e-01 3.080744e-01 -8.240519e+01 + 6.462392e-01 -8.587083e-02 -7.582883e-01 2.172618e+01 + -6.002072e-01 5.564731e-01 -5.745337e-01 7.607111e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 113 +Solution: 355 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.515955e-01 7.864504e-01 2.779176e-01 -8.739309e+01 + 5.583986e-01 -1.006556e-01 -8.234437e-01 3.090062e+01 + -6.196236e-01 6.093966e-01 -4.946740e-01 7.452855e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 114 +Solution: 356 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.204690e-01 7.479678e-01 2.357169e-01 -9.137309e+01 + 4.618069e-01 -1.055474e-01 -8.806782e-01 4.028271e+01 + -6.338396e-01 6.552892e-01 -4.109056e-01 7.289990e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 114 +Solution: 357 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.776989e-01 7.119067e-01 1.841547e-01 -9.438792e+01 + 3.582231e-01 -1.009139e-01 -9.281663e-01 4.972532e+01 + -6.421840e-01 6.949858e-01 -3.234106e-01 7.107563e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 115 +Solution: 358 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.232029e-01 6.790904e-01 1.257527e-01 -9.648614e+01 + 2.494591e-01 -8.706604e-02 -9.644634e-01 5.907450e+01 + -6.440091e-01 7.288729e-01 -2.323717e-01 6.897428e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 115 +Solution: 359 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.570810e-01 6.502802e-01 6.296152e-02 -9.772937e+01 + 1.373867e-01 -6.424875e-02 -9.884316e-01 6.816798e+01 + -6.387122e-01 7.569728e-01 -1.379813e-01 6.653968e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 116 +Solution: 360 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.220500e-01 8.813200e-01 2.124824e-01 -8.071474e+01 + 6.572516e-01 -1.360243e-01 -7.412947e-01 2.355369e+01 + -6.244150e-01 4.525178e-01 -6.366580e-01 8.452620e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 114 +Solution: 361 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.023685e-01 8.435183e-01 1.900072e-01 -8.585631e+01 + 5.734983e-01 -1.606046e-01 -8.033093e-01 3.290717e+01 + -6.470901e-01 5.125261e-01 -5.644390e-01 8.290031e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 114 +Solution: 362 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.720962e-01 8.052363e-01 1.558858e-01 -8.995416e+01 + 4.809018e-01 -1.753610e-01 -8.590588e-01 4.248639e+01 + -6.644090e-01 5.664301e-01 -4.875630e-01 8.111784e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 114 +Solution: 363 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.309193e-01 7.676513e-01 1.124828e-01 -9.305547e+01 + 3.810749e-01 -1.803287e-01 -9.067875e-01 5.213876e+01 + -6.758127e-01 6.149741e-01 -4.063054e-01 7.908513e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 115 +Solution: 364 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.786727e-01 7.318155e-01 6.204451e-02 -9.521354e+01 + 2.756870e-01 -1.755416e-01 -9.450830e-01 6.170752e+01 + -6.807350e-01 6.585069e-01 -3.208873e-01 7.673059e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 115 +Solution: 365 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.153688e-01 6.987143e-01 6.768858e-03 -9.649397e+01 + 1.664677e-01 -1.610114e-01 -9.728123e-01 7.103006e+01 + -6.786280e-01 6.970464e-01 -2.314958e-01 7.400330e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 108 +Solution: 366 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.412328e-01 6.692975e-01 -5.113535e-02 -9.697996e+01 + 5.521010e-02 -1.367106e-01 -9.890713e-01 7.993640e+01 + -6.689737e-01 7.303089e-01 -1.382863e-01 7.087246e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 116 +Solution: 367 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.764301e-01 9.202170e-01 1.072427e-01 -7.840064e+01 + 6.665779e-01 -1.886287e-01 -7.211748e-01 2.566774e+01 + -6.434083e-01 3.429575e-01 -6.844019e-01 9.277580e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 116 +Solution: 368 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.553807e-01 8.856827e-01 9.052385e-02 -8.362466e+01 + 5.868460e-01 -2.221495e-01 -7.786279e-01 3.515204e+01 + -6.695074e-01 4.076957e-01 -6.209219e-01 9.122175e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 117 +Solution: 369 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.246644e-01 8.489688e-01 6.308151e-02 -8.779499e+01 + 4.983551e-01 -2.462176e-01 -8.312756e-01 4.488077e+01 + -6.901952e-01 4.675777e-01 -5.522695e-01 8.943210e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 117 +Solution: 370 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.838895e-01 8.113871e-01 2.690908e-02 -9.095816e+01 + 4.025463e-01 -2.605774e-01 -8.775283e-01 5.470086e+01 + -7.050032e-01 5.232117e-01 -4.787693e-01 8.732959e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 118 +Solution: 371 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.328135e-01 7.741374e-01 -1.607427e-02 -9.316774e+01 + 3.009219e-01 -2.650083e-01 -9.160877e-01 6.445669e+01 + -7.134376e-01 5.748755e-01 -4.006557e-01 8.485342e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 118 +Solution: 372 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.713630e-01 7.383625e-01 -6.397314e-02 -9.448950e+01 + 1.950439e-01 -2.592998e-01 -9.458972e-01 7.398847e+01 + -7.150032e-01 6.225628e-01 -3.180974e-01 8.195891e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 119 +Solution: 373 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.180634e-01 6.757011e-01 -1.667721e-01 -9.482091e+01 + -2.291295e-02 -2.165415e-01 -9.760045e-01 9.171067e+01 + -6.956004e-01 7.046544e-01 -1.400082e-01 7.481661e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 120 +Solution: 374 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.242889e-01 8.962885e-01 -1.290188e-01 -8.062471e+01 + 5.540870e-01 -3.696638e-01 -7.458795e-01 4.659175e+01 + -7.162169e-01 2.449807e-01 -6.534660e-01 1.050488e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 120 +Solution: 375 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.713147e-01 9.013266e-01 -2.230150e-01 -7.571275e+01 + 5.930173e-01 -4.150258e-01 -6.899885e-01 4.543615e+01 + -7.144619e-01 1.239511e-01 -6.886075e-01 1.120061e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 120 +Solution: 376 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.872861e-01 8.598415e-01 -1.523973e-01 -8.424478e+01 + 4.638011e-01 -4.027069e-01 -7.891234e-01 5.697299e+01 + -7.398925e-01 3.138468e-01 -5.950289e-01 1.030497e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 120 +Solution: 377 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.378011e-01 8.668701e-01 -2.384667e-01 -7.979656e+01 + 5.055495e-01 -4.566917e-01 -7.320194e-01 5.605216e+01 + -7.434715e-01 1.999222e-01 -6.381859e-01 1.101152e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 121 +Solution: 378 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.906100e-01 8.606787e-01 -3.265824e-01 -7.478828e+01 + 5.480113e-01 -5.024617e-01 -6.687420e-01 5.456947e+01 + -7.396671e-01 8.224648e-02 -6.679282e-01 1.166712e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 120 +Solution: 379 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.409111e-01 8.207151e-01 -1.839615e-01 -8.681806e+01 + 3.656062e-01 -4.264097e-01 -8.273493e-01 6.752608e+01 + -7.574611e-01 3.802650e-01 -5.307083e-01 1.006093e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 120 +Solution: 380 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.954967e-01 8.276046e-01 -2.637304e-01 -8.275847e+01 + 4.084702e-01 -4.899677e-01 -7.701193e-01 6.705563e+01 + -7.665736e-01 2.738655e-01 -5.808292e-01 1.077733e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 121 +Solution: 381 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.515428e-01 8.230691e-01 -3.444798e-01 -7.816945e+01 + 4.537250e-01 -5.442492e-01 -7.056390e-01 6.580362e+01 + -7.682725e-01 1.623271e-01 -6.191988e-01 1.145111e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 121 +Solution: 382 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.097426e-01 8.071802e-01 -4.249367e-01 -7.312336e+01 + 5.006570e-01 -5.883984e-01 -6.349251e-01 6.378979e+01 + -7.625310e-01 4.740838e-02 -6.452123e-01 1.207164e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 122 +Solution: 383 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.845580e-01 7.803451e-01 -2.221562e-01 -8.837700e+01 + 2.607562e-01 -4.399724e-01 -8.593198e-01 7.808496e+01 + -7.683086e-01 4.443937e-01 -4.606692e-01 9.766216e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 122 +Solution: 384 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.432864e-01 7.851049e-01 -2.974057e-01 -8.459154e+01 + 3.028237e-01 -5.136534e-01 -8.027814e-01 7.827573e+01 + -7.830311e-01 3.460787e-01 -5.168093e-01 1.048963e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 123 +Solution: 385 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.031513e-01 7.799247e-01 -3.722314e-01 -8.033742e+01 + 3.492187e-01 -5.774850e-01 -7.379413e-01 7.746969e+01 + -7.904967e-01 2.413059e-01 -5.629266e-01 1.118008e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 121 +Solution: 386 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.646071e-01 7.651819e-01 -4.456871e-01 -7.568160e+01 + 3.990743e-01 -6.302281e-01 -6.659972e-01 7.567919e+01 + -7.904935e-01 1.315647e-01 -5.981728e-01 1.182671e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 124 +Solution: 387 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.280549e-01 7.413306e-01 -5.169120e-01 -7.069022e+01 + 4.514481e-01 -6.708859e-01 -5.883083e-01 7.293805e+01 + -7.829199e-01 1.846926e-02 -6.218483e-01 1.241902e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 122 +Solution: 388 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.178073e-01 7.402211e-01 -2.653052e-01 -8.897479e+01 + 1.506540e-01 -4.425725e-01 -8.839870e-01 8.846917e+01 + -7.717626e-01 5.061643e-01 -3.849418e-01 9.415050e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 122 +Solution: 389 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.802368e-01 7.410560e-01 -3.378776e-01 -8.531264e+01 + 1.898919e-01 -5.265151e-01 -8.286875e-01 8.951847e+01 + -7.920015e-01 4.166747e-01 -4.462239e-01 1.014002e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 123 +Solution: 390 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.439512e-01 7.330155e-01 -4.084182e-01 -8.126256e+01 + 2.355723e-01 -6.005489e-01 -7.640987e-01 8.936918e+01 + -8.053712e-01 3.194204e-01 -4.993474e-01 1.084380e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 123 +Solution: 391 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.092316e-01 7.168998e-01 -4.761700e-01 -7.689932e+01 + 2.867434e-01 -6.629988e-01 -6.915279e-01 8.801664e+01 + -8.114564e-01 2.156092e-01 -5.431862e-01 1.151519e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 124 +Solution: 392 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.762494e-01 6.935238e-01 -5.405657e-01 -7.228778e+01 + 3.423100e-01 -7.124930e-01 -6.125174e-01 8.548772e+01 + -8.099447e-01 1.066699e-01 -5.767245e-01 1.214270e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 124 +Solution: 393 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.450859e-01 6.636596e-01 -6.012109e-01 -6.748143e+01 + 4.010722e-01 -7.480125e-01 -5.287896e-01 8.183995e+01 + -8.006495e-01 -5.772195e-03 -5.991052e-01 1.271491e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 125 +Solution: 394 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.404724e-01 7.019436e-01 -3.115611e-01 -8.869308e+01 + 3.686727e-02 -4.333230e-01 -9.004843e-01 9.847993e+01 + -7.670958e-01 5.652489e-01 -3.034101e-01 9.002579e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 125 +Solution: 395 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.056487e-01 6.973481e-01 -3.832691e-01 -8.497304e+01 + 7.121746e-02 -5.272262e-01 -8.467353e-01 1.005611e+02 + -7.925388e-01 4.855287e-01 -3.689772e-01 9.720487e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 126 +Solution: 396 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.726722e-01 6.843967e-01 -4.512734e-01 -8.095263e+01 + 1.142185e-01 -6.117207e-01 -7.827847e-01 1.012660e+02 + -8.117886e-01 3.967353e-01 -4.284862e-01 1.043171e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 126 +Solution: 397 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.417546e-01 6.644033e-01 -5.148497e-01 -7.672983e+01 + 1.649166e-01 -6.846399e-01 -7.099794e-01 1.005617e+02 + -8.241993e-01 2.997273e-01 -4.804780e-01 1.112484e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 127 +Solution: 398 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.129055e-01 6.386894e-01 -5.735885e-01 -7.238335e+01 + 2.221213e-01 -7.441565e-01 -6.299946e-01 9.845812e+01 + -8.292105e-01 1.957215e-01 -5.235485e-01 1.178719e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 127 +Solution: 399 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.859573e-01 6.084725e-01 -6.273808e-01 -6.796851e+01 + 2.844595e-01 -7.888722e-01 -5.447599e-01 9.500741e+01 + -8.263947e-01 8.626559e-02 -5.564440e-01 1.240545e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 128 +Solution: 400 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.606105e-01 5.747692e-01 -6.763714e-01 -6.351601e+01 + 3.504397e-01 -8.178759e-01 -4.563671e-01 9.030154e+01 + -8.154937e-01 -2.681989e-02 -5.781442e-01 1.296635e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 125 +Solution: 401 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.526757e-01 6.672725e-01 -3.588340e-01 -8.765205e+01 + -7.884797e-02 -4.112275e-01 -9.081161e-01 1.078954e+02 + -7.535234e-01 6.209986e-01 -2.157851e-01 8.525224e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 125 +Solution: 402 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.191540e-01 6.561791e-01 -4.313667e-01 -8.367344e+01 + -5.136595e-02 -5.143044e-01 -8.560680e-01 1.111461e+02 + -7.835878e-01 5.521955e-01 -2.847284e-01 9.223747e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 126 +Solution: 403 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.883599e-01 6.365602e-01 -4.986218e-01 -7.947116e+01 + -1.302428e-02 -6.091084e-01 -7.929800e-01 1.128796e+02 + -8.084943e-01 4.730518e-01 -3.500842e-01 9.933303e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 126 +Solution: 404 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.605908e-01 6.102897e-01 -5.597181e-01 -7.518403e+01 + 3.532650e-02 -6.929217e-01 -7.201469e-01 1.130217e+02 + -8.273391e-01 3.839349e-01 -4.100049e-01 1.064281e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 127 +Solution: 405 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.358106e-01 5.793322e-01 -6.142322e-01 -7.092376e+01 + 9.247481e-02 -7.633606e-01 -6.393191e-01 1.115521e+02 + -8.392588e-01 2.857530e-01 -4.625904e-01 1.133840e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 127 +Solution: 406 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.136674e-01 5.455494e-01 -6.622096e-01 -6.676544e+01 + 1.569139e-01 -8.185313e-01 -5.526161e-01 1.085074e+02 + -8.435187e-01 1.799510e-01 -5.060571e-01 1.200435e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 128 +Solution: 407 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.935543e-01 5.105174e-01 -7.041137e-01 -6.274268e+01 + 2.269316e-01 -8.571399e-01 -4.623994e-01 1.039786e+02 + -8.395869e-01 6.843361e-02 -5.388976e-01 1.262422e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 129 +Solution: 408 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.059041e-01 9.602599e-01 -1.884264e-01 -6.399018e+01 + 7.479349e-01 -2.785967e-01 -6.024759e-01 2.296698e+01 + -6.310284e-01 -1.687842e-02 -7.755761e-01 1.127552e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 129 +Solution: 409 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.413065e-01 9.516551e-01 -2.727361e-01 -5.725064e+01 + 7.843504e-01 -2.757160e-01 -5.556754e-01 1.928412e+01 + -6.040091e-01 -1.354001e-01 -7.853915e-01 1.171523e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 129 +Solution: 410 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.367951e-01 9.267894e-01 -2.915295e-01 -6.455135e+01 + 7.149327e-01 -3.694015e-01 -5.936445e-01 3.123080e+01 + -6.578748e-01 -6.785187e-02 -7.500645e-01 1.180913e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 130 +Solution: 411 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.178439e-02 9.280486e-01 -3.633690e-01 -5.008988e+01 + 8.162691e-01 -2.715649e-01 -5.098600e-01 1.594568e+01 + -5.718532e-01 -2.549083e-01 -7.797472e-01 1.210803e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 129 +Solution: 412 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.795345e-01 9.106615e-01 -3.721063e-01 -5.806580e+01 + 7.552496e-01 -3.699691e-01 -5.410369e-01 2.736795e+01 + -6.303693e-01 -1.838983e-01 -7.541989e-01 1.222810e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 121 +Solution: 413 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.682636e-01 8.809450e-01 -3.898341e-01 -6.446647e+01 + 6.795642e-01 -4.598754e-01 -5.715830e-01 3.964860e+01 + -6.828083e-01 -1.115824e-01 -7.220265e-01 1.228234e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 130 +Solution: 414 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.953603e-02 8.886876e-01 -4.575608e-01 -4.267642e+01 + 8.442738e-01 -2.672335e-01 -4.645298e-01 1.295929e+01 + -5.350975e-01 -3.725862e-01 -7.581887e-01 1.244243e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 130 +Solution: 415 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.276803e-01 8.797025e-01 -4.580625e-01 -5.120261e+01 + 7.912781e-01 -3.688001e-01 -4.877145e-01 2.379757e+01 + -5.979772e-01 -3.001833e-01 -7.431778e-01 1.259826e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 131 +Solution: 416 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.182022e-01 8.570552e-01 -4.667378e-01 -5.820818e+01 + 7.234560e-01 -4.630451e-01 -5.120553e-01 3.558313e+01 + -6.549803e-01 -2.259327e-01 -7.210792e-01 1.268681e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 131 +Solution: 417 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.996442e-01 8.231228e-01 -4.823714e-01 -6.370039e+01 + 6.420695e-01 -5.479530e-01 -5.361850e-01 4.807845e+01 + -7.056629e-01 -1.490512e-01 -6.926930e-01 1.269974e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 132 +Solution: 418 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -1.338632e-02 8.336320e-01 -5.521581e-01 -3.521362e+01 + 8.690402e-01 -2.634249e-01 -4.187798e-01 1.030022e+01 + -4.945604e-01 -4.854535e-01 -7.209334e-01 1.270880e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 131 +Solution: 419 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.337781e-02 8.332384e-01 -5.465912e-01 -4.413011e+01 + 8.234266e-01 -3.665362e-01 -4.331510e-01 2.051732e+01 + -5.612635e-01 -4.139625e-01 -7.166716e-01 1.290881e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 131 +Solution: 420 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.739674e-01 8.182334e-01 -5.479319e-01 -5.160887e+01 + 7.631366e-01 -4.636849e-01 -4.501319e-01 3.175142e+01 + -6.223808e-01 -3.398386e-01 -7.050900e-01 1.303960e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 131 +Solution: 421 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.567881e-01 7.909880e-01 -5.553358e-01 -5.764290e+01 + 6.892022e-01 -5.526951e-01 -4.685386e-01 4.377752e+01 + -6.775398e-01 -2.624235e-01 -6.870762e-01 1.309424e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 124 +Solution: 422 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.304698e-01 7.537722e-01 -5.679940e-01 -6.223995e+01 + 6.028241e-01 -6.316310e-01 -4.874888e-01 5.636998e+01 + -7.262182e-01 -1.813001e-01 -6.631270e-01 1.306568e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 132 +Solution: 423 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -4.525271e-02 7.638062e-01 -6.438573e-01 -2.792570e+01 + 8.912170e-01 -2.603106e-01 -3.714439e-01 7.914640e+00 + -4.513141e-01 -5.906255e-01 -6.689373e-01 1.290068e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 132 +Solution: 424 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.859971e-02 7.713996e-01 -6.344925e-01 -3.704861e+01 + 8.521485e-01 -3.634001e-01 -3.765412e-01 1.749555e+01 + -5.210384e-01 -5.223820e-01 -6.750082e-01 1.315083e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 132 +Solution: 425 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.376682e-01 7.639385e-01 -6.304328e-01 -4.484180e+01 + 7.988350e-01 -4.619406e-01 -3.853226e-01 2.813910e+01 + -5.855852e-01 -4.505651e-01 -6.738554e-01 1.333013e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 133 +Solution: 426 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.202708e-01 7.436765e-01 -6.312100e-01 -5.128215e+01 + 7.320767e-01 -5.536810e-01 -3.968639e-01 3.963821e+01 + -6.446274e-01 -3.746766e-01 -6.663880e-01 1.343299e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 133 +Solution: 427 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.949533e-01 7.127830e-01 -6.363513e-01 -5.636267e+01 + 6.528612e-01 -6.366177e-01 -4.104756e-01 5.178358e+01 + -6.976925e-01 -2.943780e-01 -6.531208e-01 1.345327e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 134 +Solution: 428 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.604653e-01 6.734516e-01 -6.453896e-01 -6.009656e+01 + 5.623332e-01 -7.089290e-01 -4.256773e-01 6.436273e+01 + -7.442084e-01 -2.094821e-01 -6.342485e-01 1.338468e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 135 +Solution: 429 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -6.480716e-02 6.809399e-01 -7.294662e-01 -2.103931e+01 + 9.113025e-01 -2.574706e-01 -3.213047e-01 5.728175e+00 + -4.066053e-01 -6.855872e-01 -6.038562e-01 1.301558e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 135 +Solution: 430 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.496990e-02 6.951808e-01 -7.184011e-01 -3.017676e+01 + 8.778322e-01 -3.590853e-01 -3.169675e-01 1.467561e+01 + -4.783170e-01 -6.227210e-01 -6.192184e-01 1.331831e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 133 +Solution: 431 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.111927e-01 6.944892e-01 -7.108593e-01 -3.811098e+01 + 8.307786e-01 -4.575018e-01 -3.170157e-01 2.470520e+01 + -5.453834e-01 -5.553168e-01 -6.278377e-01 1.354968e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 133 +Solution: 432 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.921547e-01 6.809015e-01 -7.067176e-01 -4.480282e+01 + 7.707303e-01 -5.504954e-01 -3.208265e-01 3.563190e+01 + -6.074960e-01 -4.830403e-01 -6.305717e-01 1.370521e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 133 +Solution: 433 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.663683e-01 6.564038e-01 -7.058200e-01 -5.023056e+01 + 6.984698e-01 -6.360745e-01 -3.279469e-01 4.726686e+01 + -6.642198e-01 -4.056393e-01 -6.279083e-01 1.377958e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 133 +Solution: 434 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.325382e-01 6.230199e-01 -7.080004e-01 -5.439239e+01 + 6.149413e-01 -7.124236e-01 -3.380826e-01 5.941701e+01 + -7.150283e-01 -3.229533e-01 -6.200288e-01 1.376708e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 135 +Solution: 435 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -7.136625e-02 5.874090e-01 -8.061374e-01 -1.476457e+01 + 9.295451e-01 -2.539344e-01 -2.673260e-01 3.658263e+00 + -3.617357e-01 -7.684191e-01 -5.279008e-01 1.305514e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 135 +Solution: 436 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.361093e-02 6.064083e-01 -7.950369e-01 -2.373485e+01 + 9.006949e-01 -3.527355e-01 -2.536265e-01 1.198522e+01 + -4.342390e-01 -7.126336e-01 -5.509899e-01 1.340875e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 136 +Solution: 437 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 9.601988e-02 6.111403e-01 -7.856766e-01 -3.163732e+01 + 8.590947e-01 -4.495402e-01 -2.446833e-01 2.138827e+01 + -5.027291e-01 -6.514761e-01 -5.681921e-01 1.369229e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 136 +Solution: 438 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.742000e-01 6.033554e-01 -7.782138e-01 -3.841962e+01 + 8.051569e-01 -5.422508e-01 -2.401803e-01 3.170701e+01 + -5.669011e-01 -5.847447e-01 -5.802558e-01 1.390204e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 136 +Solution: 439 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.466872e-01 5.847932e-01 -7.727628e-01 -4.404697e+01 + 7.394818e-01 -6.289728e-01 -2.399162e-01 4.277584e+01 + -6.263482e-01 -5.122598e-01 -5.876035e-01 1.403336e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 137 +Solution: 440 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.121878e-01 5.572481e-01 -7.694240e-01 -4.850356e+01 + 6.628276e-01 -7.079688e-01 -2.438026e-01 5.442410e+01 + -6.805867e-01 -4.338833e-01 -5.903787e-01 1.408103e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 137 +Solution: 441 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.695694e-01 5.226315e-01 -7.682934e-01 -5.179520e+01 + 5.760850e-01 -7.776188e-01 -2.518631e-01 6.647608e+01 + -7.290710e-01 -3.495214e-01 -5.884643e-01 1.403945e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 137 +Solution: 442 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.178640e-01 4.830352e-01 -7.694587e-01 -5.395335e+01 + 4.802554e-01 -8.363810e-01 -2.642378e-01 7.875075e+01 + -7.711968e-01 -2.591212e-01 -5.814737e-01 1.390260e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 138 +Solution: 443 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.760420e-03 4.053580e-01 -9.141563e-01 -1.060967e+01 + 9.451642e-01 -2.992304e-01 -1.308655e-01 4.373652e+00 + -3.265907e-01 -8.637975e-01 -3.836567e-01 1.323367e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 138 +Solution: 444 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.857411e-02 4.233756e-01 -9.025404e-01 -1.877237e+01 + 9.134094e-01 -3.932761e-01 -1.049628e-01 1.265182e+01 + -3.993863e-01 -8.161415e-01 -4.176166e-01 1.364069e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 138 +Solution: 445 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.346526e-02 3.235066e-01 -9.433697e-01 -1.238673e+01 + 9.380484e-01 -3.435987e-01 -4.477826e-02 7.302639e+00 + -3.386266e-01 -8.816368e-01 -3.287074e-01 1.342909e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 139 +Solution: 446 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.539468e-01 4.278975e-01 -8.906201e-01 -2.602277e+01 + 8.695562e-01 -4.867172e-01 -8.353697e-02 2.202557e+01 + -4.692254e-01 -7.615839e-01 -4.470095e-01 1.397899e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 138 +Solution: 447 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.475796e-01 3.367011e-01 -9.299745e-01 -2.002770e+01 + 8.991473e-01 -4.373657e-01 -1.566252e-02 1.621254e+01 + -4.120125e-01 -8.338727e-01 -3.672901e-01 1.384250e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 140 +Solution: 448 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.488129e-01 2.408824e-01 -9.590779e-01 -1.450086e+01 + 9.236712e-01 -3.801892e-01 4.783067e-02 1.042903e+01 + -3.531095e-01 -8.929904e-01 -2.790732e-01 1.361138e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 139 +Solution: 449 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.260846e-01 4.201096e-01 -8.788593e-01 -3.226248e+01 + 8.136043e-01 -5.775700e-01 -6.679037e-02 3.238087e+01 + -5.356621e-01 -6.999434e-01 -4.723826e-01 1.424359e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 139 +Solution: 450 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.204162e-01 3.359557e-01 -9.157240e-01 -2.674761e+01 + 8.475571e-01 -5.306221e-01 9.336664e-03 2.627670e+01 + -4.827667e-01 -7.781863e-01 -4.016994e-01 1.418442e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 140 +Solution: 451 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.205466e-01 2.481304e-01 -9.432871e-01 -2.158663e+01 + 8.769760e-01 -4.737567e-01 8.042160e-02 2.003408e+01 + -4.269335e-01 -8.449768e-01 -3.220899e-01 1.402889e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 140 +Solution: 452 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.264737e-01 1.580189e-01 -9.611138e-01 -1.686092e+01 + 9.013972e-01 -4.078706e-01 1.453434e-01 1.375146e+01 + -3.690430e-01 -8.992617e-01 -2.348097e-01 1.377947e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 141 +Solution: 453 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.932934e-01 4.013480e-01 -8.676974e-01 -3.741115e+01 + 7.457642e-01 -6.639341e-01 -5.502022e-02 4.358944e+01 + -5.981761e-01 -6.309606e-01 -4.940385e-01 1.442830e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 139 +Solution: 454 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.898771e-01 3.222543e-01 -9.011789e-01 -3.240804e+01 + 7.830528e-01 -6.212444e-01 2.972820e-02 3.739468e+01 + -5.502723e-01 -7.142882e-01 -4.324267e-01 1.444764e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 142 +Solution: 455 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.908454e-01 2.408791e-01 -9.259515e-01 -2.770681e+01 + 8.167445e-01 -5.665813e-01 1.091513e-01 3.085716e+01 + -4.983346e-01 -7.880120e-01 -3.615242e-01 1.437108e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 140 +Solution: 456 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.960282e-01 1.583238e-01 -9.419665e-01 -2.335567e+01 + 8.461869e-01 -5.009408e-01 1.817309e-01 2.409980e+01 + -4.430971e-01 -8.508772e-01 -2.822641e-01 1.419847e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 143 +Solution: 457 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.052205e-01 7.561912e-02 -9.492746e-01 -1.939513e+01 + 8.708234e-01 -4.255625e-01 2.460958e-01 1.725027e+01 + -3.853661e-01 -9.017640e-01 -1.957413e-01 1.393112e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 141 +Solution: 458 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.539619e-01 3.731615e-01 -8.575905e-01 -4.140822e+01 + 6.664427e-01 -7.439671e-01 -4.865327e-02 5.550867e+01 + -6.561746e-01 -5.543135e-01 -5.120268e-01 1.452581e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 141 +Solution: 459 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.538814e-01 2.968811e-01 -8.869214e-01 -3.688945e+01 + 7.056750e-01 -7.071135e-01 4.487045e-02 4.944239e+01 + -6.138329e-01 -6.417570e-01 -4.597359e-01 1.462340e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 142 +Solution: 460 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.572271e-01 2.199878e-01 -9.077412e-01 -3.268005e+01 + 7.426094e-01 -6.563497e-01 1.331781e-01 4.280121e+01 + -5.664981e-01 -7.216720e-01 -3.978309e-01 1.462815e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 142 +Solution: 461 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.636131e-01 1.434789e-01 -9.204343e-01 -2.880081e+01 + 7.764118e-01 -5.926602e-01 2.143328e-01 3.572558e+01 + -5.147526e-01 -7.925703e-01 -3.268978e-01 1.453701e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 143 +Solution: 462 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.726393e-01 6.815151e-02 -9.254703e-01 -2.525933e+01 + 8.063408e-01 -5.173889e-01 2.865715e-01 2.836754e+01 + -4.592978e-01 -8.530323e-01 -2.477528e-01 1.434854e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 143 +Solution: 463 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.839210e-01 -5.395016e-03 -9.233502e-01 -2.205314e+01 + 8.317755e-01 -4.321894e-01 3.483703e-01 2.088517e+01 + -4.009416e-01 -9.017667e-01 -1.614391e-01 1.406305e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 144 +Solution: 464 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.065564e-01 3.373948e-01 -8.490445e-01 -4.421728e+01 + 5.762369e-01 -8.158554e-01 -4.828082e-02 6.798065e+01 + -7.089872e-01 -4.696219e-01 -5.261106e-01 1.452767e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 141 +Solution: 465 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.103538e-01 2.615181e-01 -8.736235e-01 -4.009552e+01 + 6.157380e-01 -7.861052e-01 5.390163e-02 6.227093e+01 + -6.726637e-01 -5.600419e-01 -4.836079e-01 1.470128e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 145 +Solution: 466 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.171323e-01 1.867946e-01 -8.894428e-01 -3.634507e+01 + 6.545545e-01 -7.406963e-01 1.514181e-01 5.573462e+01 + -6.305229e-01 -6.453501e-01 -4.312356e-01 1.478834e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 145 +Solution: 467 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.262752e-01 1.143265e-01 -8.973399e-01 -3.296999e+01 + 6.916874e-01 -6.804858e-01 2.418834e-01 4.852147e+01 + -5.829734e-01 -7.237876e-01 -3.691524e-01 1.478250e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 146 +Solution: 468 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.371316e-01 4.486457e-02 -8.982779e-01 -2.995041e+01 + 7.262082e-01 -6.068239e-01 3.230890e-01 4.080270e+01 + -5.306012e-01 -7.935691e-01 -2.978429e-01 1.467901e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 146 +Solution: 469 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.490720e-01 -2.120342e-02 -8.932439e-01 -2.724736e+01 + 7.573036e-01 -5.214953e-01 3.931080e-01 3.276305e+01 + -4.741578e-01 -8.529906e-01 -2.181316e-01 1.447520e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 147 +Solution: 470 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.615404e-01 -8.382221e-02 -8.831502e-01 -2.480967e+01 + 7.843099e-01 -4.266344e-01 4.503788e-01 2.459245e+01 + -4.145340e-01 -9.005315e-01 -1.311664e-01 1.417091e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 144 +Solution: 471 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.496360e-01 2.962999e-01 -8.426350e-01 -4.583378e+01 + 4.759333e-01 -8.777789e-01 -5.469628e-02 8.083031e+01 + -7.558538e-01 -3.764447e-01 -5.357000e-01 1.442410e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 144 +Solution: 472 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.572354e-01 2.183862e-01 -8.621156e-01 -4.196205e+01 + 5.138462e-01 -8.560742e-01 5.566986e-02 7.570446e+01 + -7.258773e-01 -4.684490e-01 -5.036443e-01 1.466894e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 145 +Solution: 473 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.679270e-01 1.432671e-01 -8.720773e-01 -3.856940e+01 + 5.529512e-01 -8.172262e-01 1.624388e-01 6.948949e+01 + -6.894123e-01 -5.582257e-01 -4.616219e-01 1.483769e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 145 +Solution: 474 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.808930e-01 7.239422e-02 -8.737854e-01 -3.566007e+01 + 5.921115e-01 -7.618162e-01 2.627547e-01 6.233355e+01 + -6.466420e-01 -6.437353e-01 -4.092175e-01 1.492010e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 146 +Solution: 475 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.952042e-01 6.712613e-03 -8.687507e-01 -3.319792e+01 + 6.302105e-01 -6.910827e-01 3.538920e-01 5.442049e+01 + -5.980030e-01 -7.227445e-01 -3.464574e-01 1.490730e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 146 +Solution: 476 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.099099e-01 -5.339989e-02 -8.585688e-01 -3.111174e+01 + 6.662249e-01 -6.068698e-01 4.334207e-01 4.595954e+01 + -5.441841e-01 -7.930054e-01 -2.738726e-01 1.479280e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 147 +Solution: 477 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.241333e-01 -1.081203e-01 -8.447451e-01 -2.930532e+01 + 6.992855e-01 -5.115161e-01 4.993507e-01 3.717286e+01 + -4.860907e-01 -8.524443e-01 -1.924957e-01 1.457333e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 148 +Solution: 478 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.661248e-02 -4.757298e-01 -8.762487e-01 3.331710e+01 + 9.743882e-01 2.220727e-01 -3.537389e-02 -2.879395e+01 + 2.114194e-01 -8.510963e-01 4.805590e-01 7.906424e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 148 +Solution: 479 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.659473e-02 -3.876035e-01 -9.216768e-01 3.390787e+01 + 9.836680e-01 1.715628e-01 -5.443842e-02 -2.666339e+01 + 1.792260e-01 -9.057206e-01 3.841202e-01 8.551929e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 148 +Solution: 480 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.365595e-01 -4.180902e-01 -8.980825e-01 2.453163e+01 + 9.802378e-01 1.880119e-01 6.152541e-02 -2.769309e+01 + 1.431270e-01 -8.887362e-01 4.355026e-01 8.769000e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 149 +Solution: 481 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -3.391239e-02 -2.879767e-01 -9.570368e-01 3.292252e+01 + 9.898759e-01 1.223770e-01 -7.189983e-02 -2.433168e+01 + 1.378247e-01 -9.497859e-01 2.809111e-01 9.223555e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 148 +Solution: 482 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.290455e-02 -3.317462e-01 -9.397187e-01 2.462601e+01 + 9.907613e-01 1.289917e-01 4.187012e-02 -2.518300e+01 + 1.073256e-01 -9.345082e-01 3.393753e-01 9.396464e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 150 +Solution: 483 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.993383e-01 -3.661735e-01 -9.089451e-01 1.577876e+01 + 9.771949e-01 1.435426e-01 1.564791e-01 -2.516389e+01 + 7.317386e-02 -9.194088e-01 3.864365e-01 9.607957e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 149 +Solution: 484 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -7.318021e-02 -1.795408e-01 -9.810249e-01 3.035290e+01 + 9.934582e-01 7.334314e-02 -8.753046e-02 -2.177295e+01 + 8.766673e-02 -9.810127e-01 1.729990e-01 9.903258e+01 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 149 +Solution: 485 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.881719e-02 -2.349662e-01 -9.712282e-01 2.320038e+01 + 9.972811e-01 7.003744e-02 2.291451e-02 -2.231002e+01 + 6.263820e-02 -9.694770e-01 2.370460e-01 1.004548e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 150 +Solution: 486 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.515916e-01 -2.818286e-01 -9.474137e-01 1.543332e+01 + 9.878785e-01 7.559342e-02 1.355793e-01 -2.214793e+01 + 3.340812e-02 -9.564822e-01 2.898717e-01 1.022181e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 150 +Solution: 487 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.633563e-01 -3.206083e-01 -9.098647e-01 7.245139e+00 + 9.646967e-01 8.940192e-02 2.477247e-01 -2.119111e+01 + 1.921054e-03 -9.429834e-01 3.328343e-01 1.041939e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 151 +Solution: 488 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -9.987109e-02 -6.558262e-02 -9.928367e-01 2.626306e+01 + 9.945583e-01 2.316294e-02 -1.015743e-01 -1.892449e+01 + 2.965853e-02 -9.975783e-01 6.291243e-02 1.057128e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 151 +Solution: 489 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 5.903012e-03 -1.304917e-01 -9.914318e-01 2.026128e+01 + 9.999372e-01 1.021800e-02 4.608766e-03 -1.903303e+01 + 9.529042e-03 -9.913967e-01 1.305438e-01 1.069808e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 152 +Solution: 490 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.134804e-01 -1.880387e-01 -9.755837e-01 1.361833e+01 + 9.934265e-01 6.615606e-03 1.142807e-01 -1.859770e+01 + -1.503513e-02 -9.821393e-01 1.875534e-01 1.085159e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 150 +Solution: 491 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.210832e-01 -2.385448e-01 -9.456313e-01 6.517856e+00 + 9.743417e-01 1.207302e-02 2.247499e-01 -1.752988e+01 + -4.219631e-02 -9.710564e-01 2.350933e-01 1.102170e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 153 +Solution: 492 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.270724e-01 -2.819619e-01 -9.019541e-01 -8.905593e-01 + 9.423826e-01 2.634053e-02 3.334985e-01 -1.577889e+01 + -7.027592e-02 -9.590639e-01 2.743313e-01 1.119785e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 151 +Solution: 493 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -1.131872e-01 5.023388e-02 -9.923030e-01 2.079077e+01 + 9.929607e-01 -2.935764e-02 -1.147484e-01 -1.569496e+01 + -3.489593e-02 -9.983059e-01 -4.655736e-02 1.120784e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 151 +Solution: 494 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -1.466784e-02 -2.160621e-02 -9.996590e-01 1.588843e+01 + 9.985865e-01 -5.139589e-02 -1.354125e-02 -1.528344e+01 + -5.108579e-02 -9.984446e-01 2.232954e-02 1.133445e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 152 +Solution: 495 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 8.645563e-02 -8.765904e-02 -9.923917e-01 1.036156e+01 + 9.936789e-01 -6.401060e-02 9.222189e-02 -1.446137e+01 + -7.160767e-02 -9.940918e-01 8.157086e-02 1.147830e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 152 +Solution: 496 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.884601e-01 -1.480441e-01 -9.708582e-01 4.377153e+00 + 9.774952e-01 -6.714420e-02 1.999871e-01 -1.315494e+01 + -9.479443e-02 -9.866988e-01 1.320584e-01 1.163211e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 153 +Solution: 497 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.897786e-01 -2.025617e-01 -9.354128e-01 -1.930701e+00 + 9.496544e-01 -6.076763e-02 3.073496e-01 -1.132253e+01 + -1.191001e-01 -9.773822e-01 1.747545e-01 1.178777e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 153 +Solution: 498 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.889686e-01 -2.507266e-01 -8.864759e-01 -8.455635e+00 + 9.100751e-01 -4.485226e-02 4.120093e-01 -8.950448e+00 + -1.430621e-01 -9.670183e-01 2.107340e-01 1.193648e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 154 +Solution: 499 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -1.129687e-01 1.641590e-01 -9.799438e-01 1.413993e+01 + 9.880984e-01 -8.506877e-02 -1.281594e-01 -1.197913e+01 + -1.044011e-01 -9.827589e-01 -1.525952e-01 1.179475e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 154 +Solution: 500 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -2.230405e-02 8.808577e-02 -9.958632e-01 1.023563e+01 + 9.927775e-01 -1.154980e-01 -3.245094e-02 -1.097634e+01 + -1.178787e-01 -9.893943e-01 -8.487349e-02 1.193433e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 155 +Solution: 501 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 7.146357e-02 1.596549e-02 -9.973154e-01 5.767445e+00 + 9.882269e-01 -1.367421e-01 6.862329e-02 -9.672177e+00 + -1.352794e-01 -9.904780e-01 -2.554960e-02 1.208082e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 155 +Solution: 502 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.667198e-01 -5.210989e-02 -9.846264e-01 8.799798e-01 + 9.737215e-01 -1.484295e-01 1.727287e-01 -8.013320e+00 + -1.551484e-01 -9.875491e-01 2.599439e-02 1.222950e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 156 +Solution: 503 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.620119e-01 -1.157853e-01 -9.580937e-01 -4.312362e+00 + 9.488595e-01 -1.502615e-01 2.776456e-01 -5.972463e+00 + -1.761119e-01 -9.818428e-01 7.049374e-02 1.237461e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 156 +Solution: 504 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.560168e-01 -1.744576e-01 -9.180504e-01 -9.721376e+00 + 9.135103e-01 -1.419780e-01 3.812363e-01 -3.545325e+00 + -1.968525e-01 -9.743751e-01 1.088222e-01 1.250958e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 157 +Solution: 505 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.475266e-01 -2.272809e-01 -8.649065e-01 -1.528321e+01 + 8.677719e-01 -1.233268e-01 4.814171e-01 -7.484368e-01 + -2.160831e-01 -9.659886e-01 1.420359e-01 1.262706e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 154 +Solution: 506 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -9.972203e-02 2.726743e-01 -9.569244e-01 6.564654e+00 + 9.791274e-01 -1.442839e-01 -1.431493e-01 -7.676523e+00 + -1.771019e-01 -9.512260e-01 -2.525946e-01 1.231662e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 154 +Solution: 507 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + -1.708657e-02 1.949499e-01 -9.806644e-01 3.522641e+00 + 9.817910e-01 -1.823190e-01 -5.335008e-02 -6.027957e+00 + -1.891944e-01 -9.637190e-01 -1.882849e-01 1.247846e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 155 +Solution: 508 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 6.880584e-02 1.192459e-01 -9.904778e-01 1.615218e-02 + 9.764315e-01 -2.116317e-01 4.235126e-02 -4.164301e+00 + -2.045663e-01 -9.700477e-01 -1.309969e-01 1.263727e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 155 +Solution: 509 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 1.565021e-01 4.584041e-02 -9.866133e-01 -3.836110e+00 + 9.624067e-01 -2.315972e-01 1.419018e-01 -2.055501e+00 + -2.219920e-01 -9.717311e-01 -8.036258e-02 1.279042e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 156 +Solution: 510 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 2.447044e-01 -2.477678e-02 -9.692811e-01 -7.942101e+00 + 9.393506e-01 -2.416875e-01 2.433262e-01 3.083742e-01 + -2.402920e-01 -9.700378e-01 -3.586794e-02 1.293419e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 156 +Solution: 511 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 3.322426e-01 -9.190708e-02 -9.387055e-01 -1.223359e+01 + 9.071314e-01 -2.414344e-01 3.447058e-01 2.918914e+00 + -2.583167e-01 -9.660551e-01 3.156992e-03 1.306404e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# ----------------------------------------------------------- +Orientation: 157 +Solution: 512 +ReceptorModel: 1 +LigandModel: 1 +Bumps: -1 +ReferenceRMS: -1.00 +Vshape: 0.0 +Vclash: 0.0 +Future: 0.0 +Etotal: nan +Eshape: nan +Eforce: 0.00 +Eair: 0.00 +ReceptorMatrix: + 1.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 1.000000e+00 0.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 1.000000e+00 0.000000e+00 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +LigandMatrix: + 4.180609e-01 -1.546386e-01 -8.951603e-01 -1.666506e+01 + 8.658172e-01 -2.303996e-01 4.441584e-01 5.750905e+00 + -2.749286e-01 -9.607304e-01 3.756774e-02 1.317467e+02 + 0.000000e+00 0.000000e+00 0.000000e+00 1.000000e+00 +# -----------------------------------------------------------