REMARK Name = BDB014328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.421 -2.517 0.297 0.00 0.00 +0.052 A ATOM 2 N LIG 1 0.724 -1.395 0.732 0.00 0.00 -0.331 N ATOM 3 C LIG 1 -0.646 -1.629 0.670 0.00 0.00 +0.109 A ATOM 4 C LIG 1 -0.796 -2.939 0.223 0.00 0.00 +0.095 A ATOM 5 N LIG 1 -1.988 -3.549 0.067 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -3.019 -2.750 0.410 0.00 0.00 +0.241 A ATOM 7 N LIG 1 -2.972 -1.480 0.845 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.784 -0.863 0.972 0.00 0.00 +0.147 A ATOM 9 C LIG 1 0.482 -3.480 -0.017 0.00 0.00 +0.056 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.801 -1.342 -1.814 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.018 -2.055 -0.753 0.00 0.00 -0.050 A ATOM 12 C LIG 1 3.620 -1.951 -0.717 0.00 0.00 +0.013 A ATOM 13 C LIG 1 2.876 -2.635 0.252 0.00 0.00 -0.001 A ATOM 14 C LIG 1 3.538 -3.451 1.175 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.926 -3.574 1.136 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.663 -2.881 0.175 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 -4.377 -3.386 0.266 0.00 0.00 +0.375 C ATOM 18 O LIG 1 -5.451 -2.860 0.503 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 -4.263 -4.670 -0.183 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 -3.312 -4.891 -0.310 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 -1.719 0.459 1.386 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -0.977 0.954 0.905 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.921 1.301 1.482 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -3.878 0.835 2.577 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 -3.641 1.484 0.146 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -2.822 2.156 -0.994 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -4.128 2.851 -1.425 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -4.604 2.701 0.034 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 29 ATOM 29 C LIG 1 1.356 -0.198 1.292 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 1.388 0.998 0.362 0.00 0.00 -0.028 A ATOM 31 C LIG 1 1.686 2.254 0.916 0.00 0.00 +0.006 A ATOM 32 C LIG 1 1.710 3.404 0.123 0.00 0.00 +0.009 A ATOM 33 C LIG 1 1.438 3.327 -1.248 0.00 0.00 +0.017 A ATOM 34 C LIG 1 1.163 2.075 -1.811 0.00 0.00 +0.009 A ATOM 35 C LIG 1 1.139 0.925 -1.017 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 1.485 4.562 -2.110 0.00 0.00 +0.372 C ATOM 37 F LIG 1 0.636 4.501 -3.174 0.00 0.00 -0.204 F ATOM 38 F LIG 1 1.147 5.696 -1.434 0.00 0.00 -0.204 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9