#complex snap DG_Coul DG_CoulVac DG_vdwEne desolvEneRec desolvEneLig apolarEne HBene totalEne 1gpk-10-min 0 -8.319 -167.582 -36.164 6.022 7.903 -2.732 -1.000 -38.000 1gpk-1-min 0 -17.012 -193.908 -37.378 5.463 7.713 -2.636 -2.683 -50.242 1gpk-2-min 0 -13.944 -208.082 -34.651 5.609 7.519 -2.581 -2.000 -43.758 1gpk-3-min 0 -6.106 -168.508 -35.082 5.256 7.592 -2.624 -1.000 -35.674 1gpk-4-min 0 -7.663 -168.727 -42.147 5.495 7.558 -2.675 -1.000 -44.142 1gpk-5-min 0 -6.556 -179.140 -39.247 5.072 7.431 -2.650 -1.000 -40.659 1gpk-6-min 0 -15.123 -214.750 -33.186 5.713 7.683 -2.567 -2.000 -43.189 1gpk-7-min 0 -8.507 -167.888 -42.331 5.287 7.521 -2.646 -1.000 -45.386 1gpk-8-min 0 -9.072 -171.019 -41.735 5.260 7.525 -2.648 -1.000 -45.380 1gpk-9-min 0 -1.299 -138.482 -31.877 5.601 7.556 -2.667 0.000 -26.396 1gpk-cryst-min 0 -15.326 -195.123 -41.795 5.657 7.575 -2.722 -2.323 -52.646 1ia1-10-min 0 -2.391 -8.921 -36.950 4.076 9.746 -2.298 -0.962 -28.490 1ia1-1-min 0 -3.190 -10.358 -41.922 3.886 9.722 -2.472 -3.572 -37.258 1ia1-2-min 0 -2.883 -8.485 -35.610 3.834 9.774 -2.254 -1.380 -28.230 1ia1-3-min 0 0.000 0.000 0.000 0.000 -0.290 -0.092 0.000 -0.092 1ia1-4-min 0 -3.355 -12.111 -33.584 3.467 9.756 -2.373 -1.534 -27.333 1ia1-5-min 0 -2.594 -6.044 -34.806 3.488 9.654 -2.301 -1.428 -27.697 1ia1-6-min 0 -2.855 -10.739 -34.178 3.589 9.477 -2.363 -1.311 -27.350 1ia1-7-min 0 -1.802 -11.956 -31.566 4.106 6.167 -2.372 0.000 -25.176 1ia1-8-min 0 -2.799 -12.917 -36.875 4.056 9.732 -2.394 -3.022 -31.012 1ia1-9-min 0 -1.637 -9.262 -31.150 4.054 6.310 -2.389 0.000 -24.522 1ia1-cryst-min 0 -3.350 -11.974 -42.800 3.961 9.500 -2.487 -3.881 -38.767 1kzk-10-min 0 -11.957 -55.823 -73.881 13.371 7.355 -5.469 -2.551 -72.843 1kzk-1-min 0 -11.369 -57.260 -74.555 13.764 7.306 -5.545 -2.191 -72.301 1kzk-2-min 0 -5.925 -38.457 -78.458 13.390 7.252 -5.368 -1.573 -70.393 1kzk-3-min 0 -8.080 -41.844 -72.269 11.751 7.067 -5.261 -2.638 -69.139 1kzk-4-min 0 -6.031 -35.569 -73.631 11.766 6.990 -5.191 -1.549 -67.356 1kzk-5-min 0 -13.418 -58.185 -67.322 14.371 7.380 -5.347 -3.161 -67.208 1kzk-6-min 0 -2.514 -23.692 -73.544 13.819 6.685 -5.396 -2.218 -62.877 1kzk-7-min 0 -10.697 -36.853 -63.884 13.860 7.155 -5.406 -4.164 -62.845 1kzk-8-min 0 -13.273 -56.283 -68.413 11.923 7.277 -5.232 -3.450 -70.878 1kzk-9-min 0 -12.242 -57.729 -72.780 13.767 7.324 -5.475 -2.974 -72.090 1kzk-cryst-min 0 -12.985 -58.166 -78.482 12.767 7.200 -5.535 -4.443 -81.188 1m2z-10-min 0 -8.904 -47.215 -56.192 5.814 7.425 -4.117 -3.737 -59.421 1m2z-1-min 0 -10.050 -46.859 -56.513 5.933 7.266 -4.079 -4.230 -61.382 1m2z-2-min 0 -12.370 -51.240 -49.752 6.026 7.691 -4.115 -4.251 -56.480 1m2z-3-min 0 -8.972 -44.456 -57.993 6.056 7.265 -4.087 -4.855 -62.297 1m2z-4-min 0 -12.141 -55.331 -52.713 5.873 7.585 -4.119 -4.269 -59.494 1m2z-5-min 0 -10.239 -46.576 -55.902 5.989 7.621 -4.097 -4.628 -60.966 1m2z-6-min 0 -10.202 -48.799 -51.927 6.090 7.002 -4.014 -4.304 -57.065 1m2z-7-min 0 -10.151 -45.719 -54.828 5.929 7.349 -4.013 -3.683 -59.106 1m2z-8-min 0 -11.224 -50.300 -57.320 5.609 7.216 -4.016 -3.875 -63.321 1m2z-9-min 0 -9.998 -45.330 -58.572 5.860 7.709 -4.124 -4.727 -63.561 1m2z-cryst-min 0 -9.227 -43.136 -60.207 5.914 7.577 -4.126 -3.494 -63.273 1oyt-10-min 0 -10.760 -11.088 -46.192 8.860 4.460 -3.395 -5.622 -52.358 1oyt-1-min 0 -11.733 -16.314 -42.571 8.779 4.256 -3.283 -6.509 -50.771 1oyt-2-min 0 -11.339 -12.500 -40.055 9.088 4.218 -3.216 -5.887 -46.901 1oyt-3-min 0 -11.562 -16.426 -44.182 9.033 4.305 -3.328 -6.728 -52.172 1oyt-4-min 0 -11.840 -20.956 -41.647 9.242 4.143 -3.166 -6.493 -49.471 1oyt-5-min 0 -11.261 -15.204 -44.959 9.141 4.370 -3.351 -5.950 -51.720 1oyt-6-min 0 -11.420 -15.361 -44.002 8.739 4.350 -3.314 -5.908 -51.266 1oyt-7-min 0 -7.625 4.163 -48.546 7.988 4.572 -3.098 -4.994 -51.414 1oyt-8-min 0 -10.926 -10.774 -44.470 8.882 4.380 -3.360 -5.256 -50.459 1oyt-9-min 0 -11.519 -19.233 -39.121 9.285 4.188 -3.131 -6.546 -46.553 1oyt-cryst-min 0 -11.343 -10.147 -44.969 8.531 4.488 -3.400 -5.629 -52.032