REMARK Name = BDB018185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.213 -0.885 -1.827 0.00 0.00 +0.256 C ATOM 2 N LIG 1 1.395 -0.200 -0.942 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.722 -0.010 0.001 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.877 -1.212 -2.965 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 7 ATOM 5 N LIG 1 3.712 -0.394 0.956 0.00 0.00 -0.266 N ATOM 6 C LIG 1 3.664 -1.649 0.132 0.00 0.00 +0.166 C ATOM 7 C LIG 1 3.637 -1.169 -1.313 0.00 0.00 +0.204 C ATOM 8 F LIG 1 4.271 -2.097 -2.091 0.00 0.00 -0.230 F ATOM 9 C LIG 1 4.502 0.081 -1.274 0.00 0.00 +0.071 C ATOM 10 C LIG 1 4.261 0.700 0.096 0.00 0.00 +0.120 C BRANCH 5 12 ATOM 11 N LIG 1 3.929 -0.406 3.445 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 3.832 -0.404 2.292 0.00 0.00 +0.169 C ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 2 13 ATOM 13 C LIG 1 0.099 0.187 -1.222 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -0.714 0.828 -0.318 0.00 0.00 +0.132 A ATOM 15 N LIG 1 -1.912 1.024 -0.953 0.00 0.00 -0.265 N ATOM 16 N LIG 1 -1.915 0.583 -2.227 0.00 0.00 -0.177 NA ATOM 17 C LIG 1 -0.693 0.060 -2.384 0.00 0.00 +0.157 A BRANCH 15 18 ATOM 18 C LIG 1 -3.094 1.678 -0.405 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 C LIG 1 -3.749 0.844 0.668 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -3.780 1.285 1.999 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -4.388 0.510 2.988 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.973 -0.711 2.657 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.952 -1.159 1.338 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.345 -0.386 0.348 0.00 0.00 +0.005 A ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 2 13 TORSDOF 5