REMARK Name = BDB019697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.571 -1.183 -1.556 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.668 -0.087 -0.753 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.909 0.336 -0.414 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -3.055 -0.327 -0.862 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.940 -1.459 -1.684 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -1.660 -1.889 -2.040 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.956 1.527 0.459 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.991 2.480 0.366 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -3.042 3.607 1.206 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -2.016 3.788 2.133 0.00 0.00 +0.129 A ATOM 11 F LIG 1 -2.024 4.865 2.932 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -0.974 2.877 2.246 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -0.947 1.755 1.415 0.00 0.00 +0.013 A BRANCH 9 14 ATOM 14 C LIG 1 -4.128 4.641 1.109 0.00 0.00 +0.194 C BRANCH 14 15 ATOM 15 O LIG 1 -5.247 4.154 0.375 0.00 0.00 -0.390 OA ATOM 16 H LIG 1 -5.911 4.865 0.387 0.00 0.00 +0.210 HD ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.799 -0.833 -1.329 0.00 0.00 -0.304 N ATOM 18 H LIG 1 1.471 -0.089 -0.719 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 0.822 -1.605 -1.913 0.00 0.00 +0.263 C ATOM 20 O LIG 1 1.039 -2.551 -2.660 0.00 0.00 -0.269 OA BRANCH 17 21 ATOM 21 C LIG 1 3.219 -1.058 -1.505 0.00 0.00 +0.101 C ATOM 22 C LIG 1 3.693 -0.600 -2.886 0.00 0.00 +0.033 C BRANCH 21 25 ATOM 23 C LIG 1 4.648 1.646 0.808 0.00 0.00 +0.124 A ATOM 24 C LIG 1 3.958 1.031 -0.237 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.985 -0.367 -0.391 0.00 0.00 -0.021 A ATOM 26 C LIG 1 4.718 -1.130 0.530 0.00 0.00 +0.051 A ATOM 27 C LIG 1 5.417 -0.524 1.577 0.00 0.00 +0.124 A ATOM 28 C LIG 1 5.378 0.864 1.710 0.00 0.00 +0.091 A BRANCH 23 30 ATOM 29 C LIG 1 3.939 3.834 0.194 0.00 0.00 +0.277 C ATOM 30 O LIG 1 4.688 2.991 1.061 0.00 0.00 -0.495 OA ENDBRANCH 23 30 BRANCH 27 31 ATOM 31 O LIG 1 6.087 -1.393 2.394 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 6.819 -0.825 3.473 0.00 0.00 +0.277 C ENDBRANCH 27 31 ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 -4.167 -2.187 -2.171 0.00 0.00 +0.158 C BRANCH 33 34 ATOM 34 N LIG 1 -4.298 -3.504 -1.568 0.00 0.00 -0.330 N ATOM 35 C LIG 1 -4.829 -3.809 -0.335 0.00 0.00 +0.107 A ATOM 36 C LIG 1 -5.322 -2.804 0.640 0.00 0.00 +0.086 C ATOM 37 N LIG 1 -4.827 -5.114 -0.143 0.00 0.00 -0.241 NA ATOM 38 C LIG 1 -4.289 -5.663 -1.275 0.00 0.00 +0.130 A ATOM 39 C LIG 1 -3.961 -4.684 -2.179 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10