REMARK Name = BDB022483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.840 1.284 0.317 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -1.453 -0.005 0.753 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -0.161 -0.227 1.235 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.776 0.819 1.292 0.00 0.00 -0.013 A ATOM 5 C LIG 1 0.384 2.094 0.854 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.908 2.325 0.375 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.487 3.499 -1.334 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -5.032 3.446 -1.445 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -4.369 3.683 -0.144 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -3.970 2.414 0.643 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -3.162 1.465 -0.165 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -3.183 1.736 -1.625 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -4.602 2.166 -2.053 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 2.140 0.584 1.791 0.00 0.00 +0.018 A ATOM 15 C LIG 1 2.377 0.114 3.091 0.00 0.00 +0.131 A ATOM 16 F LIG 1 1.351 -0.116 3.925 0.00 0.00 -0.205 F ATOM 17 C LIG 1 3.668 -0.114 3.562 0.00 0.00 +0.039 A ATOM 18 C LIG 1 4.760 0.125 2.730 0.00 0.00 +0.008 A ATOM 19 C LIG 1 4.566 0.593 1.423 0.00 0.00 -0.033 A ATOM 20 C LIG 1 3.255 0.821 0.967 0.00 0.00 +0.016 A BRANCH 19 21 ATOM 21 C LIG 1 5.752 0.848 0.515 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 6.566 -0.356 0.274 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 5.865 -1.395 -0.498 0.00 0.00 +0.087 C ATOM 24 C LIG 1 5.696 -1.059 -1.977 0.00 0.00 +0.052 C ATOM 25 C LIG 1 7.038 -0.719 -2.602 0.00 0.00 +0.168 C ATOM 26 F LIG 1 6.832 -0.272 -3.871 0.00 0.00 -0.245 F ATOM 27 C LIG 1 7.761 0.361 -1.815 0.00 0.00 +0.052 C ATOM 28 C LIG 1 7.860 -0.025 -0.342 0.00 0.00 +0.087 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 4 14 BRANCH 2 29 ATOM 29 N LIG 1 -2.454 -0.998 0.671 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.327 -0.614 0.313 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.372 -2.317 1.031 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.405 -2.916 1.483 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.670 -3.035 0.872 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.298 -3.322 -0.413 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.464 -3.998 -0.438 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -6.110 -4.444 0.822 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -7.177 -5.042 0.809 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.433 -4.141 1.976 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.861 -4.462 2.838 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -4.240 -3.462 2.010 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.612 -2.886 -1.670 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.310 -3.253 -1.715 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.198 -3.406 -2.781 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.663 -1.538 -1.815 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7