REMARK Name = BDB026005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.696 -0.228 0.588 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.148 -1.405 1.123 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.950 -2.419 1.483 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.226 -1.580 1.290 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.112 -0.566 0.923 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.586 0.625 0.372 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.205 0.788 0.215 0.00 0.00 +0.036 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 4.880 0.269 0.093 0.00 0.00 +0.218 A ATOM 9 N LIG 1 4.053 0.702 -0.872 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 2.723 0.531 -0.691 0.00 0.00 +0.124 A ATOM 11 C LIG 1 2.146 -0.058 0.416 0.00 0.00 +0.021 A ATOM 12 C LIG 1 3.084 -0.467 1.344 0.00 0.00 +0.124 A ATOM 13 N LIG 1 4.422 -0.317 1.210 0.00 0.00 -0.222 NA BRANCH 8 20 ATOM 14 C LIG 1 9.446 -1.155 1.270 0.00 0.00 +0.039 C ATOM 15 C LIG 1 8.569 -0.121 0.578 0.00 0.00 +0.133 C ATOM 16 O LIG 1 8.958 -0.078 -0.808 0.00 0.00 -0.371 OA ATOM 17 C LIG 1 8.197 0.924 -1.509 0.00 0.00 +0.133 C ATOM 18 C LIG 1 8.695 0.957 -2.948 0.00 0.00 +0.039 C ATOM 19 C LIG 1 6.686 0.614 -1.454 0.00 0.00 +0.139 C ATOM 20 N LIG 1 6.255 0.464 -0.055 0.00 0.00 -0.295 N ATOM 21 C LIG 1 7.074 -0.477 0.724 0.00 0.00 +0.139 C ENDBRANCH 8 20 ENDBRANCH 1 11 BRANCH 5 22 ATOM 22 N LIG 1 -3.514 -0.676 1.061 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -4.120 -1.734 0.212 0.00 0.00 +0.124 C ATOM 24 C LIG 1 -4.818 -2.716 1.190 0.00 0.00 +0.075 C ATOM 25 C LIG 1 -5.214 -1.755 2.316 0.00 0.00 +0.039 C ATOM 26 C LIG 1 -3.978 -0.872 2.448 0.00 0.00 +0.107 C BRANCH 24 27 ATOM 27 N LIG 1 -5.952 -3.472 0.624 0.00 0.00 -0.304 NA ATOM 28 C LIG 1 -6.594 -4.326 1.627 0.00 0.00 +0.104 C ATOM 29 C LIG 1 -5.530 -4.295 -0.515 0.00 0.00 +0.104 C ENDBRANCH 24 27 ENDBRANCH 5 22 BRANCH 6 30 ATOM 30 N LIG 1 -2.545 1.590 -0.000 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.494 1.266 0.186 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.338 2.824 -0.560 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.268 3.363 -0.809 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.613 3.548 -0.828 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.571 3.152 -1.855 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.692 3.882 -2.022 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.954 5.074 -1.177 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.976 5.734 -1.312 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.984 5.375 -0.255 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.152 6.200 0.310 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.837 4.641 -0.081 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -4.261 1.969 -2.717 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.330 0.810 -2.014 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.026 2.033 -3.268 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -5.137 1.839 -3.748 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 7