REMARK Name = BDB027198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.212 -0.896 -0.103 0.00 0.00 +0.071 A ATOM 2 N LIG 1 2.532 0.304 0.433 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 1.617 1.298 0.339 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.366 1.193 -0.277 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.065 -0.045 -0.861 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.001 -1.093 -0.763 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.202 -3.972 0.375 0.00 0.00 +0.087 A ATOM 8 C LIG 1 3.852 -4.300 0.327 0.00 0.00 +0.141 A ATOM 9 F LIG 1 3.459 -5.578 0.429 0.00 0.00 -0.204 F ATOM 10 C LIG 1 2.874 -3.315 0.173 0.00 0.00 +0.049 A ATOM 11 C LIG 1 3.226 -1.959 0.058 0.00 0.00 +0.003 A ATOM 12 C LIG 1 4.598 -1.642 0.118 0.00 0.00 +0.011 A ATOM 13 C LIG 1 5.577 -2.632 0.272 0.00 0.00 +0.022 A BRANCH 7 15 ATOM 14 N LIG 1 7.016 -5.800 0.652 0.00 0.00 -0.191 NA ATOM 15 C LIG 1 6.190 -4.993 0.531 0.00 0.00 +0.102 C ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -0.559 2.255 -0.343 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -0.189 3.226 -1.404 0.00 0.00 +0.126 C ATOM 18 C LIG 1 -1.125 4.450 -1.335 0.00 0.00 +0.102 C ATOM 19 C LIG 1 -0.918 5.169 0.019 0.00 0.00 +0.186 C ATOM 20 F LIG 1 -0.029 6.196 -0.118 0.00 0.00 -0.244 F ATOM 21 C LIG 1 -0.391 4.259 1.123 0.00 0.00 +0.057 C ATOM 22 C LIG 1 -0.911 2.839 0.973 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 N LIG 1 -0.958 5.335 -2.498 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 -1.451 4.958 -3.305 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -1.359 6.252 -2.299 0.00 0.00 +0.119 HD ENDBRANCH 18 23 ENDBRANCH 4 16 BRANCH 5 26 ATOM 26 C LIG 1 -1.252 -0.310 -1.548 0.00 0.00 +0.161 C BRANCH 26 27 ATOM 27 N LIG 1 -2.259 -0.760 -0.609 0.00 0.00 -0.310 N ATOM 28 C LIG 1 -2.455 -2.045 -0.184 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -3.542 -1.970 0.674 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -3.955 -3.171 1.273 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -3.296 -4.310 0.960 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -2.252 -4.232 0.106 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -4.023 -0.676 0.749 0.00 0.00 -0.231 NA ATOM 34 N LIG 1 -1.756 -3.144 -0.518 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 -3.230 0.020 -0.038 0.00 0.00 +0.202 A BRANCH 30 36 ATOM 36 N LIG 1 -5.027 -3.254 2.154 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -5.671 -2.475 2.078 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -5.413 -4.187 2.197 0.00 0.00 +0.144 HD ENDBRANCH 30 36 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7