REMARK Name = BDB019663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.200 1.387 1.065 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -1.043 1.239 2.117 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -2.359 1.113 1.851 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.863 1.133 0.551 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.986 1.299 -0.528 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.621 1.423 -0.260 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.224 0.942 3.027 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -3.244 1.875 4.093 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -4.066 1.629 5.212 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -4.866 0.495 5.264 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -5.644 0.285 6.333 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.869 -0.420 4.225 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -4.052 -0.200 3.115 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 -2.403 3.135 4.077 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -2.340 3.741 2.858 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -1.128 2.941 4.500 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -2.913 4.095 4.910 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.122 0.827 0.565 0.00 0.00 -0.304 N ATOM 19 H LIG 1 1.745 0.121 -0.054 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.256 1.515 1.398 0.00 0.00 +0.263 C ATOM 21 O LIG 1 1.634 2.178 2.357 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 3.551 0.785 0.833 0.00 0.00 +0.101 C ATOM 23 C LIG 1 4.236 2.099 0.444 0.00 0.00 +0.033 C BRANCH 22 26 ATOM 24 C LIG 1 4.790 -1.577 -1.927 0.00 0.00 +0.124 A ATOM 25 C LIG 1 4.258 -0.461 -1.279 0.00 0.00 +0.051 A ATOM 26 C LIG 1 4.160 -0.411 0.121 0.00 0.00 -0.021 A ATOM 27 C LIG 1 4.598 -1.519 0.866 0.00 0.00 +0.051 A ATOM 28 C LIG 1 5.133 -2.639 0.227 0.00 0.00 +0.124 A ATOM 29 C LIG 1 5.228 -2.661 -1.169 0.00 0.00 +0.091 A BRANCH 24 31 ATOM 30 C LIG 1 5.382 -2.582 -3.998 0.00 0.00 +0.277 C ATOM 31 O LIG 1 4.819 -1.483 -3.292 0.00 0.00 -0.495 OA ENDBRANCH 24 31 BRANCH 28 32 ATOM 32 O LIG 1 5.593 -3.772 0.844 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 5.539 -3.800 2.265 0.00 0.00 +0.277 C ENDBRANCH 28 32 ENDBRANCH 22 26 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 34 ATOM 34 C LIG 1 -2.512 1.335 -1.940 0.00 0.00 +0.138 C BRANCH 34 35 ATOM 35 N LIG 1 -3.015 0.031 -2.296 0.00 0.00 -0.329 N ATOM 36 H LIG 1 -2.441 -0.751 -1.992 0.00 0.00 +0.147 HD BRANCH 35 37 ATOM 37 C LIG 1 -3.634 -0.243 -3.479 0.00 0.00 +0.090 C ATOM 38 C LIG 1 -4.356 0.800 -4.284 0.00 0.00 +0.073 C ATOM 39 C LIG 1 -5.203 -0.100 -5.150 0.00 0.00 +0.031 C ATOM 40 C LIG 1 -4.349 -1.347 -5.261 0.00 0.00 +0.143 C ATOM 41 N LIG 1 -3.610 -1.439 -3.986 0.00 0.00 -0.273 NA ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 10