REMARK Name = BDB008708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.859 -0.264 0.481 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.644 0.282 0.886 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.626 1.356 1.754 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.644 1.764 2.017 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.448 0.958 1.339 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -1.719 1.925 2.280 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.848 1.327 1.877 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.693 -0.008 0.680 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -2.961 0.281 1.025 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.914 1.108 1.326 0.00 0.00 +0.107 A ATOM 11 N LIG 1 3.604 0.362 0.437 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 4.944 0.521 0.409 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.634 1.405 1.223 0.00 0.00 +0.023 A ATOM 14 C LIG 1 4.925 2.201 2.128 0.00 0.00 -0.041 A ATOM 15 C LIG 1 3.536 2.024 2.174 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 5.625 3.194 3.026 0.00 0.00 +0.019 C ATOM 17 C LIG 1 5.164 4.634 3.052 0.00 0.00 +0.009 C ATOM 18 C LIG 1 6.478 4.287 2.422 0.00 0.00 +0.009 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -1.944 -1.297 -0.438 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -1.284 -1.152 -1.197 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 -4.010 -0.744 -1.711 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.232 -1.804 -0.935 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -4.045 -2.542 0.136 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -5.118 -1.847 1.028 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.918 -3.164 0.965 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -5.207 -3.447 -0.372 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 27 ATOM 27 C LIG 1 -4.147 1.872 2.411 0.00 0.00 +0.375 C ATOM 28 O LIG 1 -5.271 1.462 2.164 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 -3.990 2.930 3.240 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 -4.904 3.170 3.496 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 1.191 -1.235 0.063 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 1.224 -1.205 -1.450 0.00 0.00 -0.028 A ATOM 33 C LIG 1 1.576 -0.061 -2.180 0.00 0.00 +0.006 A ATOM 34 C LIG 1 1.619 -0.087 -3.578 0.00 0.00 +0.013 A ATOM 35 C LIG 1 1.328 -1.264 -4.281 0.00 0.00 +0.055 A ATOM 36 C LIG 1 0.988 -2.414 -3.554 0.00 0.00 +0.013 A ATOM 37 C LIG 1 0.946 -2.386 -2.158 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 1.377 -1.312 -5.788 0.00 0.00 +0.417 C ATOM 39 F LIG 1 1.850 -0.169 -6.357 0.00 0.00 -0.166 F ATOM 40 F LIG 1 0.152 -1.528 -6.339 0.00 0.00 -0.166 F ATOM 41 F LIG 1 2.175 -2.314 -6.249 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 10