REMARK Name = BDB059020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.172 1.191 -1.405 0.00 0.00 +0.143 A ATOM 2 C LIG 1 2.948 0.088 -0.556 0.00 0.00 +0.076 A ATOM 3 C LIG 1 1.794 0.050 0.222 0.00 0.00 +0.029 A ATOM 4 C LIG 1 0.862 1.092 0.151 0.00 0.00 +0.025 A ATOM 5 C LIG 1 1.045 2.177 -0.710 0.00 0.00 +0.036 A ATOM 6 C LIG 1 2.228 2.225 -1.467 0.00 0.00 +0.070 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 3.933 -0.925 -0.549 0.00 0.00 -0.277 N ATOM 8 H LIG 1 4.724 -0.717 -1.150 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 3.965 -2.081 0.210 0.00 0.00 +0.267 C ATOM 10 O LIG 1 3.144 -2.433 1.049 0.00 0.00 -0.268 OA BRANCH 9 11 ATOM 11 C LIG 1 5.142 -2.958 -0.074 0.00 0.00 +0.127 A ATOM 12 N LIG 1 5.866 -3.361 0.998 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 6.923 -4.158 0.749 0.00 0.00 +0.107 A ATOM 14 BR LIG 1 7.956 -4.739 2.230 0.00 0.00 -0.029 Br ATOM 15 C LIG 1 7.297 -4.566 -0.525 0.00 0.00 +0.035 A ATOM 16 C LIG 1 6.538 -4.137 -1.611 0.00 0.00 +0.005 A ATOM 17 C LIG 1 5.437 -3.317 -1.387 0.00 0.00 +0.033 A ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 19 ATOM 18 C LIG 1 4.654 2.283 -2.926 0.00 0.00 +0.277 C ATOM 19 O LIG 1 4.343 1.147 -2.128 0.00 0.00 -0.493 OA ENDBRANCH 1 19 BRANCH 5 20 ATOM 20 N LIG 1 0.144 3.260 -0.779 0.00 0.00 -0.297 N ATOM 21 H LIG 1 0.362 3.918 -1.520 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.249 3.291 -0.505 0.00 0.00 +0.164 A ATOM 23 C LIG 1 -1.884 4.519 -0.509 0.00 0.00 +0.181 A ATOM 24 F LIG 1 -1.234 5.653 -0.805 0.00 0.00 -0.200 F ATOM 25 C LIG 1 -3.220 4.524 -0.214 0.00 0.00 +0.156 A ATOM 26 N LIG 1 -3.915 3.407 0.072 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -3.246 2.239 0.068 0.00 0.00 +0.220 A ATOM 28 N LIG 1 -1.932 2.165 -0.216 0.00 0.00 -0.196 NA BRANCH 27 29 ATOM 29 N LIG 1 -3.948 1.059 0.326 0.00 0.00 -0.297 N ATOM 30 C LIG 1 -5.159 1.253 1.139 0.00 0.00 +0.126 C ATOM 31 C LIG 1 -5.940 -0.080 1.286 0.00 0.00 +0.068 C ATOM 32 C LIG 1 -7.137 0.105 2.217 0.00 0.00 +0.025 C ATOM 33 N LIG 1 -5.101 -1.181 1.807 0.00 0.00 -0.308 NA ATOM 34 H LIG 1 -5.643 -2.044 1.817 0.00 0.00 +0.123 HD ATOM 35 C LIG 1 -3.923 -1.357 0.929 0.00 0.00 +0.068 C ATOM 36 C LIG 1 -3.050 -2.475 1.497 0.00 0.00 +0.025 C ATOM 37 C LIG 1 -3.092 -0.056 0.767 0.00 0.00 +0.126 C ENDBRANCH 27 29 ENDBRANCH 20 22 ENDBRANCH 5 20 TORSDOF 6