REMARK Name = BDB037893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.331 -0.307 0.795 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.580 -0.632 1.873 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.235 -0.672 1.715 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.452 -0.395 0.529 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.337 -0.040 -0.577 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.738 -0.008 -0.430 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.594 -0.201 1.515 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.676 0.128 2.515 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.109 0.491 3.732 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.301 0.092 2.283 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.787 -0.275 1.027 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.725 -0.612 0.038 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.317 -1.006 -1.179 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.105 -0.576 0.267 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.873 -0.440 0.865 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.914 -0.126 1.866 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.854 -0.484 0.407 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.278 -1.857 0.025 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.848 -1.975 -0.085 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.471 -0.562 -0.110 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -4.064 0.295 1.093 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.616 0.070 1.533 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.227 -2.638 -1.363 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.788 -2.150 -2.145 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.825 -3.581 -1.358 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.371 -2.872 1.081 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.898 -2.977 1.163 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.430 -1.820 1.628 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.197 -3.923 2.103 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.790 -4.194 0.946 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.250 -4.763 1.595 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.279 0.291 -1.918 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 0.133 1.602 -2.418 0.00 0.00 -0.341 N ATOM 34 C LIG 1 -0.348 2.817 -1.977 0.00 0.00 +0.068 A ATOM 35 C LIG 1 0.285 3.800 -2.737 0.00 0.00 +0.089 A ATOM 36 N LIG 1 0.063 5.127 -2.576 0.00 0.00 -0.253 NA ATOM 37 C LIG 1 -0.828 5.437 -1.612 0.00 0.00 +0.111 A ATOM 38 C LIG 1 -1.504 4.525 -0.813 0.00 0.00 +0.022 A ATOM 39 C LIG 1 1.145 3.154 -3.655 0.00 0.00 +0.047 A ATOM 40 C LIG 1 -1.271 3.164 -0.986 0.00 0.00 +0.029 A ATOM 41 C LIG 1 1.025 1.797 -3.449 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9