REMARK Name = BDB045166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.405 0.677 -1.925 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.317 0.719 -1.050 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -0.956 0.272 -1.455 0.00 0.00 -0.039 A ATOM 4 C LIG 1 -1.115 -0.215 -2.760 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.033 -0.259 -3.636 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.220 0.184 -3.217 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.110 0.326 -0.479 0.00 0.00 +0.042 C ATOM 8 C LIG 1 -2.814 -1.027 -0.220 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.156 -0.590 0.382 0.00 0.00 +0.115 C ATOM 10 N LIG 1 -4.410 0.717 -0.195 0.00 0.00 -0.266 N ATOM 11 C LIG 1 -5.592 1.416 -0.106 0.00 0.00 +0.408 C ATOM 12 O LIG 1 -5.761 2.509 -0.635 0.00 0.00 -0.226 OA ATOM 13 C LIG 1 -3.268 1.227 -0.925 0.00 0.00 +0.119 C BRANCH 8 14 ATOM 14 C LIG 1 -2.006 -1.945 0.699 0.00 0.00 +0.126 C BRANCH 14 15 ATOM 15 C LIG 1 -2.659 -3.289 0.875 0.00 0.00 +0.305 C ATOM 16 O LIG 1 -3.721 -3.659 0.408 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -1.925 -4.105 1.655 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 -2.442 -4.938 1.693 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 19 ATOM 19 O LIG 1 -6.536 0.732 0.652 0.00 0.00 -0.411 OA BRANCH 19 20 ATOM 20 C LIG 1 -7.760 1.392 0.795 0.00 0.00 +0.133 A ATOM 21 C LIG 1 -8.867 0.879 0.121 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -10.109 1.490 0.290 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -10.236 2.593 1.138 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -9.122 3.086 1.823 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -7.877 2.480 1.659 0.00 0.00 +0.046 A ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 O LIG 1 2.685 1.065 -1.650 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 2.985 1.647 -0.378 0.00 0.00 +0.235 C BRANCH 27 28 ATOM 28 C LIG 1 3.263 0.582 0.684 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 29 C LIG 1 4.149 -1.993 -1.307 0.00 0.00 +0.088 C ATOM 30 C LIG 1 4.890 -1.157 -0.347 0.00 0.00 +0.126 A ATOM 31 C LIG 1 4.569 -0.100 0.477 0.00 0.00 +0.086 A ATOM 32 N LIG 1 5.692 0.305 1.163 0.00 0.00 -0.214 NA ATOM 33 C LIG 1 6.645 -0.504 0.736 0.00 0.00 +0.228 A ATOM 34 O LIG 1 6.221 -1.423 -0.189 0.00 0.00 -0.440 OA BRANCH 33 35 ATOM 35 C LIG 1 8.056 -0.546 1.111 0.00 0.00 +0.037 A ATOM 36 C LIG 1 8.552 0.372 2.049 0.00 0.00 +0.013 A ATOM 37 C LIG 1 9.898 0.356 2.427 0.00 0.00 +0.001 A ATOM 38 C LIG 1 10.765 -0.581 1.870 0.00 0.00 +0.000 A ATOM 39 C LIG 1 10.290 -1.500 0.936 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.944 -1.483 0.559 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 11