REMARK Name = BDB057564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.345 -0.906 1.417 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.940 -1.509 1.367 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.402 -0.230 1.215 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.020 -0.031 1.237 0.00 0.00 +0.007 A ATOM 5 C LIG 1 0.155 -1.116 1.420 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.698 -2.397 1.578 0.00 0.00 +0.007 A ATOM 7 C LIG 1 2.084 -2.592 1.555 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 4.304 -1.562 1.328 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 4.907 -2.852 1.210 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 6.418 -2.698 0.964 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 6.589 -3.262 -1.466 0.00 0.00 +0.134 C ATOM 12 N LIG 1 6.744 -2.280 -0.406 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 6.579 -0.981 -0.760 0.00 0.00 +0.291 A ATOM 14 O LIG 1 6.598 -0.043 0.241 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 6.398 1.139 -0.404 0.00 0.00 +0.157 A ATOM 16 C LIG 1 6.290 0.868 -1.755 0.00 0.00 +0.111 A ATOM 17 C LIG 1 6.080 1.930 -2.645 0.00 0.00 +0.031 A ATOM 18 C LIG 1 5.986 3.227 -2.116 0.00 0.00 +0.002 A ATOM 19 C LIG 1 6.100 3.457 -0.738 0.00 0.00 +0.004 A ATOM 20 C LIG 1 6.313 2.406 0.162 0.00 0.00 +0.048 A ATOM 21 N LIG 1 6.420 -0.479 -1.970 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -1.937 -0.904 -0.003 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -2.155 -2.308 -0.575 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -2.109 -3.372 0.025 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -2.441 -2.291 -1.897 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -2.612 -3.227 -2.124 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -3.150 -0.054 -0.093 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -3.214 0.359 -1.037 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.436 -0.436 0.311 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -5.559 0.315 -0.121 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -6.863 -0.005 0.292 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -7.070 -1.045 1.192 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.979 -1.759 1.673 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.681 -1.450 1.245 0.00 0.00 +0.023 A BRANCH 30 35 ATOM 35 C LIG 1 -5.376 1.439 -1.077 0.00 0.00 +0.195 C ATOM 36 O LIG 1 -4.660 1.276 -2.064 0.00 0.00 -0.287 OA BRANCH 35 37 ATOM 37 C LIG 1 -6.039 2.751 -0.856 0.00 0.00 +0.022 A ATOM 38 C LIG 1 -6.347 3.540 -1.971 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -6.963 4.781 -1.802 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -7.264 5.241 -0.520 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.941 4.467 0.595 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -6.325 3.225 0.431 0.00 0.00 +0.012 A ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13