REMARK Name = BDB041036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.405 0.110 -0.177 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -0.442 -0.392 0.934 0.00 0.00 +0.171 C ATOM 3 C LIG 1 -0.901 -1.665 1.700 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -0.326 -2.024 2.733 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -1.832 -2.504 1.140 0.00 0.00 -0.269 N ATOM 6 H LIG 1 -2.032 -3.367 1.629 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 -2.438 -2.167 -0.038 0.00 0.00 +0.127 A ATOM 8 N LIG 1 -3.321 -2.905 -0.771 0.00 0.00 -0.253 N ATOM 9 C LIG 1 -3.840 -4.218 -0.483 0.00 0.00 +0.174 C ATOM 10 N LIG 1 -3.721 -2.271 -1.893 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 -3.089 -1.088 -1.851 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -3.305 -0.084 -2.921 0.00 0.00 +0.068 C ATOM 13 C LIG 1 -2.277 -0.977 -0.696 0.00 0.00 +0.025 A ENDROOT BRANCH 1 16 ATOM 14 C LIG 1 -4.142 2.033 1.755 0.00 0.00 +0.120 A ATOM 15 C LIG 1 -3.316 0.995 1.309 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -2.341 1.208 0.316 0.00 0.00 -0.034 A ATOM 17 C LIG 1 -2.200 2.504 -0.203 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.021 3.542 0.238 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -3.992 3.308 1.213 0.00 0.00 +0.045 A BRANCH 14 21 ATOM 20 C LIG 1 -5.919 2.683 3.194 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -5.043 1.668 2.717 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 1 16 BRANCH 2 22 ATOM 22 N LIG 1 0.915 -0.708 0.443 0.00 0.00 -0.299 N ATOM 23 H LIG 1 1.375 -1.483 0.909 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 1.732 0.289 -0.048 0.00 0.00 +0.245 C ATOM 25 O LIG 1 1.349 1.436 -0.245 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 3.151 -0.084 -0.306 0.00 0.00 +0.040 A ATOM 27 C LIG 1 4.120 0.926 -0.270 0.00 0.00 +0.062 A ATOM 28 C LIG 1 5.466 0.626 -0.509 0.00 0.00 +0.162 A ATOM 29 C LIG 1 5.844 -0.703 -0.795 0.00 0.00 +0.162 A ATOM 30 C LIG 1 4.868 -1.704 -0.846 0.00 0.00 +0.050 A ATOM 31 C LIG 1 3.526 -1.397 -0.607 0.00 0.00 +0.017 A BRANCH 28 32 ATOM 32 O LIG 1 6.482 1.550 -0.484 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 6.133 2.908 -0.252 0.00 0.00 +0.277 C ENDBRANCH 28 32 BRANCH 29 34 ATOM 34 O LIG 1 7.183 -0.913 -1.014 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 7.607 -2.239 -1.296 0.00 0.00 +0.277 C ENDBRANCH 29 34 ENDBRANCH 24 26 ENDBRANCH 2 22 TORSDOF 6