REMARK Name = BDB031824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.367 -2.186 1.585 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.118 -1.678 2.805 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.187 -0.773 2.783 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.784 -0.325 1.612 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.797 0.591 2.043 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -2.901 0.601 3.376 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -1.324 -0.859 0.392 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.882 -0.166 3.790 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.733 -0.263 4.787 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.265 -1.779 0.399 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.483 0.401 -0.899 0.00 0.00 +0.120 A ATOM 12 C LIG 1 2.961 -0.460 0.080 0.00 0.00 +0.052 A ATOM 13 C LIG 1 3.159 -1.828 -0.039 0.00 0.00 -0.007 A ATOM 14 C LIG 1 2.780 -3.010 0.808 0.00 0.00 +0.081 C ATOM 15 C LIG 1 1.483 -3.203 1.565 0.00 0.00 +0.040 C ATOM 16 C LIG 1 3.393 -4.190 0.086 0.00 0.00 +0.228 C ATOM 17 N LIG 1 4.007 -3.696 -1.051 0.00 0.00 -0.284 N ATOM 18 H LIG 1 4.499 -4.287 -1.702 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 3.342 -5.350 0.457 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 2.776 -2.933 2.309 0.00 0.00 +0.031 C ATOM 21 C LIG 1 3.888 -2.309 -1.138 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.407 -1.495 -2.122 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.195 -0.119 -1.995 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.849 2.660 -1.557 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.230 1.729 -0.677 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.652 1.279 1.258 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -4.619 1.287 1.556 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.540 1.838 -0.020 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -2.340 2.288 -0.569 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -2.430 2.771 -1.858 0.00 0.00 +0.162 A ATOM 31 N LIG 1 -3.575 2.834 -2.564 0.00 0.00 -0.227 NA ATOM 32 C LIG 1 -4.682 2.418 -1.936 0.00 0.00 +0.190 A ATOM 33 N LIG 1 -4.712 1.931 -0.687 0.00 0.00 -0.203 NA BRANCH 29 34 ATOM 34 O LIG 1 -1.214 2.292 0.199 0.00 0.00 -0.490 OA ATOM 35 C LIG 1 0.020 2.607 -0.430 0.00 0.00 +0.277 C ENDBRANCH 29 34 BRANCH 32 36 ATOM 36 S LIG 1 -6.196 2.529 -2.860 0.00 0.00 -0.089 S ATOM 37 C LIG 1 -7.364 1.854 -1.655 0.00 0.00 +0.093 C ENDBRANCH 32 36 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6