REMARK Name = BDB034555 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.526 -0.862 -0.139 0.00 0.00 +0.098 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 0.298 -0.594 -2.350 0.00 0.00 -0.276 OA ATOM 3 C LIG 1 0.411 -0.264 -1.167 0.00 0.00 +0.216 C ATOM 4 N LIG 1 1.327 0.688 -0.751 0.00 0.00 -0.298 N ATOM 5 C LIG 1 2.299 1.183 -1.730 0.00 0.00 +0.126 C ATOM 6 C LIG 1 3.635 0.424 -1.601 0.00 0.00 +0.127 C ATOM 7 N LIG 1 4.118 0.457 -0.204 0.00 0.00 -0.297 N ATOM 8 C LIG 1 3.134 0.071 0.825 0.00 0.00 +0.127 C ATOM 9 C LIG 1 1.807 0.835 0.628 0.00 0.00 +0.126 C BRANCH 7 10 ATOM 10 C LIG 1 5.373 -0.130 -0.032 0.00 0.00 +0.218 A ATOM 11 N LIG 1 6.210 -0.203 -1.081 0.00 0.00 -0.222 NA ATOM 12 C LIG 1 7.430 -0.744 -0.887 0.00 0.00 +0.128 A ATOM 13 C LIG 1 7.867 -1.216 0.324 0.00 0.00 +0.091 A ATOM 14 C LIG 1 6.952 -1.113 1.339 0.00 0.00 +0.128 A ATOM 15 N LIG 1 5.723 -0.579 1.187 0.00 0.00 -0.222 NA BRANCH 13 16 ATOM 16 C LIG 1 9.205 -1.826 0.508 0.00 0.00 +0.420 C ATOM 17 F LIG 1 9.208 -3.160 0.241 0.00 0.00 -0.166 F ATOM 18 F LIG 1 10.156 -1.282 -0.300 0.00 0.00 -0.166 F ATOM 19 F LIG 1 9.680 -1.700 1.778 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 7 10 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -1.605 0.117 0.324 0.00 0.00 +0.032 C BRANCH 20 21 ATOM 21 C LIG 1 -2.635 0.434 -0.780 0.00 0.00 +0.078 C ATOM 22 N LIG 1 -3.922 0.816 -0.167 0.00 0.00 -0.308 N ATOM 23 C LIG 1 -4.171 2.248 -0.328 0.00 0.00 +0.144 C ATOM 24 C LIG 1 -2.877 2.819 -0.898 0.00 0.00 +0.185 C ATOM 25 F LIG 1 -2.050 3.177 0.121 0.00 0.00 -0.244 F ATOM 26 C LIG 1 -2.273 1.650 -1.647 0.00 0.00 +0.061 C BRANCH 22 27 ATOM 27 C LIG 1 -4.836 -0.118 0.292 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -4.529 -1.389 0.229 0.00 0.00 -0.156 NA ATOM 29 N LIG 1 -5.430 -2.303 0.678 0.00 0.00 -0.241 N ATOM 30 H LIG 1 -5.158 -3.278 0.605 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -6.663 -2.029 1.205 0.00 0.00 +0.277 A ATOM 32 O LIG 1 -7.419 -2.916 1.582 0.00 0.00 -0.266 OA ATOM 33 C LIG 1 -7.014 -0.608 1.289 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -6.146 0.314 0.855 0.00 0.00 +0.063 A BRANCH 33 35 ATOM 35 C LIG 1 -8.341 -0.321 1.868 0.00 0.00 +0.423 C ATOM 36 F LIG 1 -8.582 1.022 1.906 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.466 -0.751 3.149 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -9.360 -0.855 1.150 0.00 0.00 -0.166 F ENDBRANCH 33 35 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7