REMARK Name = BDB044596 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.700 5.174 -0.184 0.00 0.00 +0.122 A ATOM 2 C LIG 1 0.669 4.229 -0.211 0.00 0.00 +0.069 A ATOM 3 C LIG 1 0.935 2.862 -0.044 0.00 0.00 +0.049 A ATOM 4 C LIG 1 2.276 2.449 0.138 0.00 0.00 +0.058 A ATOM 5 C LIG 1 3.305 3.402 0.193 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.012 4.754 0.027 0.00 0.00 +0.046 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.095 1.886 -0.033 0.00 0.00 -0.281 N ATOM 8 H LIG 1 0.227 0.942 0.185 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.443 2.052 -0.280 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -1.986 3.083 -0.661 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.282 0.828 -0.099 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -1.950 -0.189 0.801 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -2.769 -1.319 0.927 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.944 -1.462 0.171 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -4.271 -0.418 -0.715 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -3.457 0.712 -0.846 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 C LIG 1 -4.862 -2.693 0.285 0.00 0.00 -0.013 C ATOM 18 C LIG 1 -6.267 -2.251 0.747 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -4.362 -3.754 1.292 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -4.973 -3.387 -1.089 0.00 0.00 +0.015 C ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 4 21 ATOM 21 C LIG 1 2.610 0.997 0.288 0.00 0.00 +0.250 C ATOM 22 N LIG 1 3.799 0.597 -0.298 0.00 0.00 -0.281 N ATOM 23 H LIG 1 4.290 1.285 -0.856 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 1.803 0.272 0.860 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 4.358 -0.699 -0.298 0.00 0.00 +0.034 A ATOM 26 C LIG 1 3.808 -1.790 0.376 0.00 0.00 +0.038 A ATOM 27 C LIG 1 4.444 -3.037 0.329 0.00 0.00 +0.061 A ATOM 28 C LIG 1 5.619 -3.214 -0.408 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.171 -2.128 -1.082 0.00 0.00 +0.003 A ATOM 30 C LIG 1 5.546 -0.879 -1.022 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 3.831 -4.173 1.051 0.00 0.00 +0.337 C ATOM 32 O LIG 1 2.643 -4.437 1.007 0.00 0.00 -0.245 OA BRANCH 31 33 ATOM 33 O LIG 1 4.730 -4.862 1.786 0.00 0.00 -0.477 OA ATOM 34 H LIG 1 5.606 -4.436 1.853 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 27 31 ENDBRANCH 22 25 ENDBRANCH 4 21 BRANCH 1 36 ATOM 35 C LIG 1 0.237 7.011 -0.569 0.00 0.00 +0.277 C ATOM 36 O LIG 1 1.555 6.527 -0.335 0.00 0.00 -0.495 OA ENDBRANCH 1 36 TORSDOF 8