REMARK Name = BDB011814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.784 1.021 -0.534 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.538 1.345 -1.359 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.407 2.468 -1.866 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.505 0.416 -1.428 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.359 -0.998 -1.734 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.693 -1.842 -1.302 0.00 0.00 +0.059 A ATOM 7 C LIG 1 -0.673 -3.225 -1.609 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.367 -3.801 -2.333 0.00 0.00 +0.054 A ATOM 9 C LIG 1 1.391 -2.989 -2.787 0.00 0.00 +0.021 A ATOM 10 N LIG 1 -1.823 -1.381 -0.583 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.397 -2.020 0.527 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -3.541 -1.798 0.917 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.373 -1.618 -2.499 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -2.475 -0.190 -1.102 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -1.576 -2.957 1.340 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -0.274 -2.623 1.739 0.00 0.00 +0.016 A ATOM 17 C LIG 1 0.465 -3.517 2.517 0.00 0.00 +0.039 A ATOM 18 C LIG 1 -0.107 -4.724 2.905 0.00 0.00 +0.123 A ATOM 19 F LIG 1 0.601 -5.578 3.655 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -1.408 -5.055 2.536 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -2.151 -4.165 1.758 0.00 0.00 +0.016 A ENDBRANCH 11 15 BRANCH 1 23 ATOM 22 C LIG 1 -2.509 3.172 0.443 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -2.665 2.186 -0.513 0.00 0.00 -0.301 N ATOM 24 H LIG 1 -3.038 2.543 -1.392 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -1.798 3.032 1.435 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -3.256 4.488 0.102 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -3.728 5.163 1.389 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -4.905 5.401 -1.456 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -4.365 4.196 -0.843 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -5.107 3.711 -0.334 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 8 31 ATOM 31 C LIG 1 0.362 -5.204 -2.625 0.00 0.00 +0.099 C ATOM 32 N LIG 1 0.353 -6.340 -2.861 0.00 0.00 -0.191 NA ENDBRANCH 8 31 BRANCH 4 33 ATOM 33 C LIG 1 1.849 1.044 -1.480 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 2.848 0.449 -0.483 0.00 0.00 +0.020 A ATOM 35 C LIG 1 2.578 0.446 0.924 0.00 0.00 -0.010 A ATOM 36 C LIG 1 3.455 -0.253 1.790 0.00 0.00 -0.017 A ATOM 37 C LIG 1 3.192 -0.322 3.169 0.00 0.00 +0.008 A ATOM 38 C LIG 1 2.083 0.314 3.722 0.00 0.00 +0.001 A ATOM 39 C LIG 1 1.236 1.043 2.902 0.00 0.00 +0.001 A ATOM 40 C LIG 1 4.594 -0.876 1.273 0.00 0.00 +0.012 A ATOM 41 C LIG 1 4.906 -0.789 -0.081 0.00 0.00 +0.047 A ATOM 42 C LIG 1 1.488 1.115 1.529 0.00 0.00 +0.009 A ATOM 43 C LIG 1 4.060 -0.105 -0.954 0.00 0.00 +0.132 A BRANCH 43 44 ATOM 44 O LIG 1 4.328 0.020 -2.292 0.00 0.00 -0.434 OA BRANCH 44 45 ATOM 45 C LIG 1 5.701 0.170 -2.626 0.00 0.00 +0.541 C ATOM 46 F LIG 1 6.266 -1.060 -2.706 0.00 0.00 -0.166 F ATOM 47 F LIG 1 5.751 0.699 -3.875 0.00 0.00 -0.166 F ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 9