REMARK Name = BDB032353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.065 -2.758 0.430 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.508 -1.491 -0.153 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -1.315 -0.554 -0.811 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -0.686 0.579 -1.313 0.00 0.00 +0.118 A ATOM 5 N LIG 1 0.643 0.822 -1.235 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 1.424 -0.078 -0.610 0.00 0.00 +0.122 A ATOM 7 C LIG 1 0.872 -1.244 -0.074 0.00 0.00 +0.047 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 2.812 0.138 -0.531 0.00 0.00 -0.306 N ATOM 9 C LIG 1 3.267 1.260 -1.393 0.00 0.00 +0.182 C ATOM 10 C LIG 1 4.719 1.572 -1.209 0.00 0.00 +0.151 A ATOM 11 N LIG 1 5.512 2.340 -1.922 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 6.756 2.324 -1.329 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 6.700 1.545 -0.262 0.00 0.00 +0.238 A ATOM 14 N LIG 1 5.423 1.069 -0.150 0.00 0.00 -0.305 N ATOM 15 C LIG 1 4.862 0.166 0.832 0.00 0.00 +0.144 C ATOM 16 C LIG 1 3.326 0.227 0.848 0.00 0.00 +0.128 C BRANCH 13 17 ATOM 17 C LIG 1 7.782 1.204 0.690 0.00 0.00 +0.452 C ATOM 18 F LIG 1 7.899 -0.143 0.847 0.00 0.00 -0.163 F ATOM 19 F LIG 1 7.524 1.702 1.930 0.00 0.00 -0.163 F ATOM 20 F LIG 1 9.002 1.665 0.324 0.00 0.00 -0.163 F ENDBRANCH 13 17 ENDBRANCH 6 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.807 -0.700 -0.967 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -3.474 -0.056 0.157 0.00 0.00 -0.340 N ATOM 23 H LIG 1 -2.973 -0.183 1.034 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.856 -0.203 0.318 0.00 0.00 +0.032 A ATOM 25 C LIG 1 -5.424 0.104 1.559 0.00 0.00 +0.066 A ATOM 26 C LIG 1 -6.801 0.029 1.730 0.00 0.00 +0.118 A ATOM 27 N LIG 1 -7.640 -0.321 0.746 0.00 0.00 -0.241 NA ATOM 28 C LIG 1 -7.090 -0.571 -0.460 0.00 0.00 +0.114 A ATOM 29 C LIG 1 -5.729 -0.511 -0.722 0.00 0.00 +0.043 A BRANCH 26 30 ATOM 30 N LIG 1 -7.377 0.296 2.971 0.00 0.00 -0.343 N ATOM 31 H LIG 1 -8.384 0.222 2.844 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -7.110 1.213 3.309 0.00 0.00 +0.144 HD ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 6