REMARK Name = BDB034011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.063 1.845 1.059 0.00 0.00 +0.165 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.010 4.185 0.219 0.00 0.00 +0.216 C ATOM 3 N LIG 1 0.941 2.834 -0.013 0.00 0.00 -0.303 N ATOM 4 H LIG 1 1.010 2.470 -0.961 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 1.101 4.651 1.350 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 -0.383 4.886 -1.751 0.00 0.00 +0.017 C ATOM 7 C LIG 1 0.964 5.035 -1.048 0.00 0.00 +0.069 C ATOM 8 C LIG 1 1.235 6.504 -0.729 0.00 0.00 +0.017 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 9 ATOM 9 C LIG 1 1.446 0.500 0.409 0.00 0.00 +0.234 C ATOM 10 N LIG 1 1.774 -0.504 1.289 0.00 0.00 -0.309 N ATOM 11 H LIG 1 1.581 -0.403 2.280 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 1.497 0.367 -0.815 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 C LIG 1 1.999 -1.888 0.867 0.00 0.00 +0.090 C BRANCH 13 14 ATOM 14 C LIG 1 3.496 -2.269 1.039 0.00 0.00 +0.010 C ATOM 15 C LIG 1 4.418 -1.395 0.170 0.00 0.00 +0.005 C ATOM 16 C LIG 1 5.900 -1.676 0.437 0.00 0.00 +0.000 C ATOM 17 C LIG 1 6.182 -3.107 0.890 0.00 0.00 +0.000 C ATOM 18 C LIG 1 5.179 -4.085 0.300 0.00 0.00 +0.000 C ATOM 19 C LIG 1 3.745 -3.762 0.729 0.00 0.00 +0.005 C ENDBRANCH 13 14 BRANCH 13 20 ATOM 20 C LIG 1 1.026 -2.777 1.687 0.00 0.00 +0.100 C BRANCH 20 21 ATOM 21 N LIG 1 1.186 -2.585 3.139 0.00 0.00 -0.328 NA ATOM 22 H LIG 1 0.450 -3.106 3.616 0.00 0.00 +0.118 HD ATOM 23 H LIG 1 2.064 -3.011 3.437 0.00 0.00 +0.118 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 24 ATOM 24 C LIG 1 -0.188 1.754 1.942 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -1.380 1.204 1.217 0.00 0.00 +0.082 A ATOM 26 S LIG 1 -2.538 2.255 0.510 0.00 0.00 -0.072 S ATOM 27 C LIG 1 -3.437 0.895 -0.042 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -2.791 -0.271 0.368 0.00 0.00 +0.078 A ATOM 29 C LIG 1 -3.358 -1.512 0.025 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -4.547 -1.557 -0.714 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -5.189 -0.382 -1.124 0.00 0.00 -0.044 A ATOM 32 C LIG 1 -4.630 0.863 -0.784 0.00 0.00 +0.021 A ATOM 33 N LIG 1 -1.626 -0.082 1.093 0.00 0.00 -0.244 NA BRANCH 31 34 ATOM 34 C LIG 1 -6.481 -0.423 -1.926 0.00 0.00 +0.013 C ATOM 35 C LIG 1 -6.291 -1.136 -3.268 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -7.618 -1.061 -1.125 0.00 0.00 +0.012 C ENDBRANCH 31 34 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 10