REMARK Name = BDB057490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.550 -1.698 3.087 0.00 0.00 +0.068 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.486 -0.676 2.760 0.00 0.00 -0.045 A ATOM 3 C LIG 1 -1.829 0.668 2.562 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.848 1.609 2.245 0.00 0.00 +0.046 A ATOM 5 C LIG 1 0.481 1.215 2.104 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.839 -0.112 2.332 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.141 -1.054 2.653 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 O LIG 1 1.382 2.202 1.819 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 2.292 1.888 0.753 0.00 0.00 +0.251 C BRANCH 9 10 ATOM 10 C LIG 1 3.717 1.687 1.295 0.00 0.00 +0.111 C ATOM 11 N LIG 1 4.735 1.563 0.230 0.00 0.00 -0.324 N ATOM 12 C LIG 1 5.899 2.410 0.531 0.00 0.00 +0.105 C ATOM 13 C LIG 1 5.688 2.850 1.976 0.00 0.00 +0.021 C ATOM 14 C LIG 1 4.179 2.923 2.089 0.00 0.00 +0.027 C BRANCH 11 15 ATOM 15 C LIG 1 4.872 0.478 -0.615 0.00 0.00 +0.030 A ATOM 16 C LIG 1 5.777 0.516 -1.692 0.00 0.00 +0.025 A ATOM 17 C LIG 1 5.932 -0.557 -2.578 0.00 0.00 +0.034 A ATOM 18 C LIG 1 5.157 -1.704 -2.404 0.00 0.00 +0.126 A ATOM 19 C LIG 1 4.240 -1.777 -1.357 0.00 0.00 +0.034 A ATOM 20 C LIG 1 4.109 -0.693 -0.477 0.00 0.00 +0.025 A BRANCH 18 21 ATOM 21 N LIG 1 5.303 -2.830 -3.330 0.00 0.00 +0.056 N ATOM 22 O LIG 1 4.415 -3.695 -3.331 0.00 0.00 -0.126 OA ATOM 23 O LIG 1 6.306 -2.853 -4.057 0.00 0.00 -0.126 OA ENDBRANCH 18 21 ENDBRANCH 11 15 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 CA LIG 1 -2.780 -2.733 1.974 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 N LIG 1 -3.195 -2.181 0.641 0.00 0.00 -0.331 N ATOM 26 H LIG 1 -2.338 -1.835 0.168 0.00 0.00 +0.147 HD BRANCH 25 28 ATOM 27 C LIG 1 -4.063 -0.186 -0.507 0.00 0.00 +0.043 A ATOM 28 C LIG 1 -4.158 -1.150 0.530 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -5.311 -1.122 1.330 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -6.280 -0.124 1.181 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -6.129 0.863 0.215 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.023 0.834 -0.631 0.00 0.00 +0.013 A BRANCH 27 34 ATOM 33 O LIG 1 -1.806 -0.583 -1.056 0.00 0.00 -0.287 OA ATOM 34 C LIG 1 -2.908 -0.212 -1.454 0.00 0.00 +0.195 C BRANCH 34 35 ATOM 35 C LIG 1 -3.061 0.182 -2.877 0.00 0.00 +0.022 A ATOM 36 C LIG 1 -4.216 -0.133 -3.604 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -4.323 0.251 -4.943 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -3.274 0.934 -5.559 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -2.112 1.227 -4.843 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -2.001 0.846 -3.505 0.00 0.00 +0.012 A ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 25 28 ENDBRANCH 24 25 BRANCH 24 41 ATOM 41 C LIG 1 -3.735 -3.850 2.409 0.00 0.00 +0.326 C ATOM 42 O LIG 1 -3.812 -4.318 3.534 0.00 0.00 -0.249 OA BRANCH 41 43 ATOM 43 OXT LIG 1 -4.471 -4.311 1.362 0.00 0.00 -0.479 OA ATOM 44 HXT LIG 1 -4.237 -3.741 0.585 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 24 41 ENDBRANCH 1 24 TORSDOF 13