REMARK Name = BDB009425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.551 0.524 -0.170 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.446 1.656 -0.972 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.610 1.836 -1.779 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.445 2.624 -0.955 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.572 2.445 -0.149 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.715 1.289 0.635 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.688 0.333 0.626 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -6.144 0.986 2.356 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -5.891 0.381 1.317 0.00 0.00 +0.248 C ATOM 10 N LIG 1 -4.599 0.217 0.827 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -3.507 0.875 1.550 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.245 1.037 0.693 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.790 -0.233 0.107 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.469 -0.537 -0.202 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.086 -1.673 -0.476 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -2.787 -1.301 -0.002 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -4.210 -0.763 -0.200 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 -7.022 -0.191 0.567 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -7.226 0.114 -0.773 0.00 0.00 +0.127 A ATOM 20 N LIG 1 -8.254 -0.375 -1.509 0.00 0.00 -0.221 NA ATOM 21 C LIG 1 -9.113 -1.169 -0.847 0.00 0.00 +0.212 A ATOM 22 C LIG 1 -9.027 -1.510 0.488 0.00 0.00 +0.068 A ATOM 23 C LIG 1 -7.955 -1.001 1.216 0.00 0.00 +0.020 A BRANCH 21 24 ATOM 24 O LIG 1 -10.131 -1.635 -1.609 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -9.918 -1.209 -2.458 0.00 0.00 +0.294 HD ENDBRANCH 21 24 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 3.945 1.081 1.491 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 5.248 1.166 0.705 0.00 0.00 +0.087 A ATOM 28 C LIG 1 5.701 -0.029 -0.089 0.00 0.00 +0.059 A ATOM 29 N LIG 1 4.934 -1.187 -0.173 0.00 0.00 -0.342 N ATOM 30 H LIG 1 3.932 -1.024 -0.096 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 5.262 -2.214 -1.158 0.00 0.00 +0.102 C ATOM 32 C LIG 1 6.777 -2.388 -1.222 0.00 0.00 +0.023 C ATOM 33 C LIG 1 7.475 -1.050 -1.501 0.00 0.00 +0.044 C ATOM 34 C LIG 1 6.890 0.082 -0.703 0.00 0.00 +0.041 A ATOM 35 C LIG 1 7.657 1.344 -0.626 0.00 0.00 +0.270 A ATOM 36 O LIG 1 8.739 1.478 -1.190 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 7.082 2.356 0.096 0.00 0.00 -0.243 N ATOM 38 H LIG 1 7.599 3.227 0.165 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 5.904 2.288 0.774 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5