REMARK Name = BDB010809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.851 -0.501 0.474 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.613 -0.814 1.042 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.538 -1.134 2.391 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.719 -1.501 2.760 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -1.436 -1.427 1.660 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.580 -1.123 3.236 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.719 -0.789 2.619 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.693 -0.930 0.610 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.900 -0.495 1.319 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.916 -0.747 3.488 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.791 -1.052 4.790 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.948 -1.318 5.273 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.008 -0.936 5.336 0.00 0.00 +0.440 A ATOM 14 O LIG 1 5.292 -1.134 6.506 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.890 -0.555 4.355 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 5.127 -0.440 3.147 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -2.935 -1.941 1.627 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -3.742 -1.716 2.904 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -4.053 -0.921 1.679 0.00 0.00 +0.020 C BRANCH 17 20 ATOM 20 C LIG 1 -3.109 -3.291 0.949 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.739 -3.444 -0.295 0.00 0.00 +0.128 A ATOM 22 F LIG 1 -4.214 -2.365 -0.938 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -3.886 -4.688 -0.908 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -3.397 -5.830 -0.281 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -2.764 -5.718 0.953 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.623 -4.465 1.557 0.00 0.00 +0.007 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 N LIG 1 2.046 -0.249 -0.868 0.00 0.00 -0.324 N ATOM 28 H LIG 1 1.233 0.002 -1.404 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 4.433 -0.752 -1.313 0.00 0.00 +0.028 C ATOM 30 C LIG 1 3.303 0.272 -1.418 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 3.718 1.628 -0.826 0.00 0.00 +0.009 C ATOM 32 C LIG 1 4.735 2.462 -1.658 0.00 0.00 +0.005 C ATOM 33 C LIG 1 3.542 3.221 -2.265 0.00 0.00 +0.001 C ATOM 34 C LIG 1 2.728 2.812 -1.024 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 -1.196 -0.644 -0.721 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 -1.239 0.857 -1.071 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -2.346 1.601 -0.312 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -2.416 3.075 -0.711 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -2.593 3.246 -2.224 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.608 4.726 -2.602 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -1.490 2.504 -2.987 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.421 1.032 -2.587 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 8