REMARK Name = BDB057529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.867 -2.284 1.895 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.196 -1.406 2.958 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.322 -0.205 3.137 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.405 -2.115 3.798 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.071 -1.424 4.410 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.859 -1.545 1.082 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.406 -0.746 0.608 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -5.070 -1.083 1.629 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.809 -0.079 0.957 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -7.040 0.381 1.457 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -7.586 -0.196 2.598 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.909 -1.230 3.235 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -5.673 -1.675 2.748 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.269 0.538 -0.285 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.082 0.855 -0.338 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.136 0.766 -1.471 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -5.835 1.835 -2.322 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -6.621 2.075 -3.450 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -7.701 1.241 -3.737 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.993 0.162 -2.902 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.210 -0.081 -1.772 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.815 -2.945 0.977 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 0.910 -0.243 -1.037 0.00 0.00 +0.121 A ATOM 24 C LIG 1 1.294 -0.885 0.139 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.412 -1.758 0.787 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.866 -2.005 0.267 0.00 0.00 -0.045 A ATOM 27 C LIG 1 -1.242 -1.366 -0.918 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -0.361 -0.492 -1.560 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 1.666 0.625 -1.774 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 2.933 1.039 -1.259 0.00 0.00 +0.233 C BRANCH 30 31 ATOM 31 C LIG 1 4.036 0.083 -1.712 0.00 0.00 +0.076 C BRANCH 31 35 ATOM 32 C LIG 1 7.945 1.301 -0.178 0.00 0.00 +0.029 A ATOM 33 C LIG 1 7.131 0.374 0.497 0.00 0.00 +0.023 A ATOM 34 C LIG 1 5.880 -0.028 0.005 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.388 0.492 -1.191 0.00 0.00 -0.044 A ATOM 36 C LIG 1 6.163 1.428 -1.873 0.00 0.00 +0.005 A ATOM 37 C LIG 1 7.412 1.824 -1.370 0.00 0.00 +0.023 A BRANCH 32 39 ATOM 38 C LIG 1 10.091 2.461 -0.538 0.00 0.00 +0.129 C ATOM 39 N LIG 1 9.185 1.711 0.329 0.00 0.00 -0.336 N ATOM 40 C LIG 1 9.829 0.895 1.357 0.00 0.00 +0.129 C ENDBRANCH 32 39 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13