REMARK Name = BDB027900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.314 -0.260 0.018 0.00 0.00 -0.330 N ATOM 2 H LIG 1 0.166 -1.138 0.526 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 9 ATOM 3 O LIG 1 4.798 -0.414 1.355 0.00 0.00 -0.275 OA ATOM 4 C LIG 1 3.831 -0.366 0.600 0.00 0.00 +0.219 C ATOM 5 N LIG 1 3.368 -1.496 -0.021 0.00 0.00 -0.255 N ATOM 6 H LIG 1 3.859 -2.350 0.204 0.00 0.00 +0.158 HD ATOM 7 C LIG 1 2.195 -1.646 -0.721 0.00 0.00 +0.239 C ATOM 8 O LIG 1 1.792 -2.769 -1.020 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 1.374 -0.374 -0.997 0.00 0.00 +0.158 C ATOM 10 C LIG 1 2.296 0.846 -0.959 0.00 0.00 +0.041 C ATOM 11 C LIG 1 3.064 0.908 0.353 0.00 0.00 +0.098 C ENDBRANCH 1 9 BRANCH 1 12 ATOM 12 C LIG 1 -0.957 0.242 -0.336 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -2.067 -0.109 0.474 0.00 0.00 +0.151 A ATOM 14 C LIG 1 -3.334 0.422 0.205 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -3.507 1.323 -0.844 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -2.420 1.702 -1.622 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -1.153 1.174 -1.362 0.00 0.00 +0.026 A BRANCH 13 18 ATOM 18 O LIG 1 -1.781 -1.003 1.478 0.00 0.00 -0.404 OA BRANCH 18 19 ATOM 19 C LIG 1 -2.791 -1.271 2.431 0.00 0.00 +0.575 C ATOM 20 F LIG 1 -3.218 -0.140 3.032 0.00 0.00 -0.133 F ATOM 21 F LIG 1 -3.839 -1.905 1.863 0.00 0.00 -0.133 F ATOM 22 F LIG 1 -2.280 -2.083 3.384 0.00 0.00 -0.133 F ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 1 12 TORSDOF 4