REMARK Name = BDB023055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.332 -1.897 -0.254 0.00 0.00 +0.252 C ATOM 2 C LIG 1 -0.449 -1.877 -1.512 0.00 0.00 +0.195 C ATOM 3 C LIG 1 0.925 -2.214 -0.963 0.00 0.00 +0.179 C ATOM 4 C LIG 1 0.902 -1.633 0.450 0.00 0.00 +0.185 C ATOM 5 O LIG 1 -0.472 -1.734 0.906 0.00 0.00 -0.345 OA ENDROOT BRANCH 1 11 ATOM 6 N LIG 1 -5.085 2.776 1.080 0.00 0.00 -0.064 NA ATOM 7 C LIG 1 -4.188 1.867 1.307 0.00 0.00 +0.203 A ATOM 8 C LIG 1 -3.717 0.847 0.364 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -4.058 0.443 -0.952 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -3.227 -0.609 -1.301 0.00 0.00 +0.091 A ATOM 11 N LIG 1 -2.365 -0.856 -0.251 0.00 0.00 -0.305 N ATOM 12 C LIG 1 -2.693 0.012 0.750 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.139 0.093 1.970 0.00 0.00 -0.332 N ATOM 14 H LIG 1 -1.446 -0.585 2.286 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 -2.667 1.019 2.832 0.00 0.00 +0.200 A ATOM 16 N LIG 1 -3.608 1.871 2.574 0.00 0.00 -0.215 NA BRANCH 6 18 ATOM 17 C LIG 1 -6.531 3.814 -0.354 0.00 0.00 +0.313 C ATOM 18 O LIG 1 -5.635 2.725 -0.206 0.00 0.00 -0.395 OA ENDBRANCH 6 18 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 O LIG 1 -0.847 -2.845 -2.490 0.00 0.00 -0.385 OA ATOM 20 H LIG 1 -0.626 -3.715 -2.103 0.00 0.00 +0.210 HD ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 O LIG 1 1.032 -3.654 -0.883 0.00 0.00 -0.386 OA ATOM 22 H LIG 1 1.633 -3.932 -1.598 0.00 0.00 +0.210 HD ENDBRANCH 3 21 BRANCH 4 23 ATOM 23 C LIG 1 1.351 -0.153 0.553 0.00 0.00 +0.176 C BRANCH 23 24 ATOM 24 C LIG 1 2.852 0.003 0.384 0.00 0.00 -0.014 A ATOM 25 C LIG 1 3.712 -0.398 1.421 0.00 0.00 +0.045 A ATOM 26 C LIG 1 5.095 -0.272 1.284 0.00 0.00 +0.135 A ATOM 27 F LIG 1 5.879 -0.683 2.289 0.00 0.00 -0.205 F ATOM 28 C LIG 1 5.663 0.256 0.129 0.00 0.00 +0.090 A ATOM 29 C LIG 1 4.812 0.656 -0.913 0.00 0.00 +0.015 A ATOM 30 C LIG 1 3.423 0.527 -0.787 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 C LIG 1 7.153 0.398 0.042 0.00 0.00 +0.420 C ATOM 32 F LIG 1 7.568 0.918 -1.151 0.00 0.00 -0.166 F ATOM 33 F LIG 1 7.814 -0.783 0.177 0.00 0.00 -0.166 F ATOM 34 F LIG 1 7.655 1.231 0.993 0.00 0.00 -0.166 F ENDBRANCH 28 31 ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 O LIG 1 0.659 0.637 -0.413 0.00 0.00 -0.385 OA ATOM 36 H LIG 1 0.111 1.286 0.071 0.00 0.00 +0.210 HD ENDBRANCH 23 35 ENDBRANCH 4 23 TORSDOF 8