REMARK Name = BDB030937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.388 -1.229 -1.790 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -0.831 -2.238 -2.613 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -2.049 -2.769 -2.256 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.763 -2.371 -1.185 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.234 -1.407 -0.426 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -1.069 -0.817 -0.697 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.378 0.370 0.192 0.00 0.00 +0.050 A ATOM 8 C LIG 1 4.142 0.826 -1.132 0.00 0.00 +0.100 A ATOM 9 C LIG 1 2.912 0.450 -1.731 0.00 0.00 +0.061 A ATOM 10 C LIG 1 1.951 -0.330 -1.090 0.00 0.00 +0.010 A ATOM 11 C LIG 1 0.862 -0.515 -1.998 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.165 0.191 -3.144 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.211 -0.763 0.220 0.00 0.00 +0.012 A ATOM 14 N LIG 1 2.405 0.747 -2.983 0.00 0.00 -0.360 N ATOM 15 H LIG 1 2.872 1.328 -3.669 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 3.415 -0.410 0.841 0.00 0.00 +0.025 A BRANCH 7 18 ATOM 17 C LIG 1 6.040 0.380 2.077 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.584 0.730 0.836 0.00 0.00 -0.251 N ATOM 19 H LIG 1 6.226 1.359 0.366 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 5.513 -0.350 2.901 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 7.845 0.721 3.530 0.00 0.00 +0.282 C ATOM 22 O LIG 1 7.238 0.997 2.266 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 5.167 1.614 -1.901 0.00 0.00 +0.421 C ATOM 24 F LIG 1 5.897 2.466 -1.126 0.00 0.00 -0.166 F ATOM 25 F LIG 1 6.076 0.814 -2.524 0.00 0.00 -0.166 F ATOM 26 F LIG 1 4.624 2.387 -2.887 0.00 0.00 -0.166 F ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 27 ATOM 27 C LIG 1 -0.096 -2.745 -3.798 0.00 0.00 +0.421 C ATOM 28 F LIG 1 -0.153 -1.895 -4.861 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.600 -3.926 -4.264 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.223 -2.989 -3.572 0.00 0.00 -0.166 F ENDBRANCH 2 27 BRANCH 5 31 ATOM 31 N LIG 1 -2.974 -1.040 0.680 0.00 0.00 -0.309 N ATOM 32 H LIG 1 -3.923 -1.363 0.530 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -2.858 0.351 1.133 0.00 0.00 +0.087 C ATOM 34 C LIG 1 -3.411 0.442 2.577 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -4.848 0.122 2.649 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 -4.944 -0.888 2.543 0.00 0.00 +0.123 HD ATOM 37 C LIG 1 -5.638 0.828 1.612 0.00 0.00 +0.019 C ATOM 38 C LIG 1 -7.088 1.095 1.936 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -6.736 0.051 0.920 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -4.899 1.879 0.808 0.00 0.00 +0.024 C ATOM 41 C LIG 1 -3.628 1.298 0.185 0.00 0.00 +0.025 C ENDBRANCH 31 33 ENDBRANCH 5 31 TORSDOF 7