REMARK Name = BDB057535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.535 -1.834 -0.828 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.758 -3.250 -1.367 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.656 -3.631 -2.524 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -3.116 -4.125 -0.398 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -3.284 -4.962 -0.876 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.762 -1.243 -0.242 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.882 -1.576 0.728 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -5.021 -1.224 -0.857 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -6.178 -0.950 -0.083 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -7.454 -0.878 -0.668 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -7.597 -1.022 -2.044 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.471 -1.237 -2.829 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -5.201 -1.326 -2.243 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.062 -0.784 1.391 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.360 -1.569 2.028 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.769 0.311 2.106 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -7.064 1.531 1.484 0.00 0.00 +0.017 A ATOM 18 C LIG 1 -7.737 2.546 2.182 0.00 0.00 -0.022 A ATOM 19 C LIG 1 -8.076 2.333 3.526 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -7.764 1.127 4.156 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.110 0.119 3.450 0.00 0.00 +0.012 A BRANCH 18 22 ATOM 22 C LIG 1 -8.036 3.865 1.522 0.00 0.00 +0.191 C BRANCH 22 23 ATOM 23 O LIG 1 -8.516 3.648 0.201 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -8.694 4.526 -0.177 0.00 0.00 +0.210 HD ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 25 ATOM 25 C LIG 1 -1.876 -0.888 -1.847 0.00 0.00 +0.068 C BRANCH 25 29 ATOM 26 C LIG 1 2.430 -1.342 -1.911 0.00 0.00 +0.121 A ATOM 27 C LIG 1 1.827 -0.470 -1.005 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.436 -0.321 -0.991 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -0.369 -1.038 -1.885 0.00 0.00 -0.045 A ATOM 30 C LIG 1 0.240 -1.912 -2.791 0.00 0.00 +0.007 A ATOM 31 C LIG 1 1.629 -2.059 -2.802 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 O LIG 1 3.772 -1.582 -2.029 0.00 0.00 -0.492 OA BRANCH 32 33 ATOM 33 C LIG 1 4.636 -0.893 -1.121 0.00 0.00 +0.235 C BRANCH 33 34 ATOM 34 C LIG 1 6.071 -1.317 -1.421 0.00 0.00 +0.100 C BRANCH 34 37 ATOM 35 C LIG 1 7.762 -2.681 1.160 0.00 0.00 +0.088 C ATOM 36 C LIG 1 7.709 -1.325 0.587 0.00 0.00 +0.126 A ATOM 37 C LIG 1 7.038 -0.732 -0.460 0.00 0.00 +0.086 A ATOM 38 N LIG 1 7.382 0.599 -0.529 0.00 0.00 -0.214 NA ATOM 39 C LIG 1 8.245 0.767 0.457 0.00 0.00 +0.228 A ATOM 40 O LIG 1 8.488 -0.372 1.180 0.00 0.00 -0.440 OA BRANCH 39 41 ATOM 41 C LIG 1 8.953 1.976 0.868 0.00 0.00 +0.037 A ATOM 42 C LIG 1 8.757 3.170 0.156 0.00 0.00 +0.013 A ATOM 43 C LIG 1 9.420 4.343 0.525 0.00 0.00 +0.001 A ATOM 44 C LIG 1 10.289 4.337 1.614 0.00 0.00 +0.000 A ATOM 45 C LIG 1 10.496 3.161 2.332 0.00 0.00 +0.001 A ATOM 46 C LIG 1 9.833 1.988 1.961 0.00 0.00 +0.013 A ENDBRANCH 39 41 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 15