REMARK Name = BDB035514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.816 0.817 0.652 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.426 1.359 0.996 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.730 2.436 1.475 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.439 0.345 0.674 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.812 0.419 0.830 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.575 -0.692 0.447 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.928 -1.833 -0.087 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.529 -1.891 -0.239 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.799 -0.774 0.155 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.676 -0.532 0.115 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.533 1.380 0.524 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.260 0.780 0.413 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.082 1.454 0.778 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.207 2.760 1.262 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.457 3.373 1.378 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.613 2.690 1.013 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.808 0.638 0.142 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 -6.265 -0.330 3.073 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.014 -1.171 1.934 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.812 -0.785 0.632 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -5.583 -1.867 -0.089 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.644 -2.959 0.740 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.903 -2.526 1.950 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.110 0.697 -1.359 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.141 0.165 -2.430 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -5.417 1.315 -3.276 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -5.989 2.016 -2.140 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 0.845 -3.105 -0.807 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -0.051 -3.641 0.068 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.138 -2.818 -1.933 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.695 -4.113 -1.139 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.084 -0.667 0.574 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.700 -0.556 -0.749 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.257 0.221 -1.242 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.167 -0.459 -0.674 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.671 -0.044 -2.091 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.571 0.998 -1.392 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.587 0.963 -0.204 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.861 -1.670 -0.077 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8