REMARK Name = BDB000454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.304 0.274 0.412 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.294 0.851 -0.438 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -3.445 0.940 -1.379 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -2.538 0.287 -0.519 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.946 -0.864 0.163 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -4.242 -1.363 0.007 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -5.145 -0.703 -0.824 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -4.745 0.429 -1.530 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 -3.055 2.189 -2.141 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 -4.428 3.880 -0.811 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -3.043 3.460 -1.284 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 -6.423 -1.163 -1.042 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 -7.183 -1.456 0.069 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -7.929 -2.634 0.031 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -8.746 -2.975 1.109 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -8.827 -2.130 2.217 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.098 -0.941 2.245 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -7.280 -0.597 1.167 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.455 -0.849 -0.294 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.200 -0.358 -1.536 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.185 0.620 -1.201 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.438 0.210 -0.840 0.00 0.00 +0.121 A ATOM 23 C LIG 1 4.338 1.257 -0.613 0.00 0.00 +0.049 A ATOM 24 C LIG 1 5.636 0.960 -0.230 0.00 0.00 -0.040 A ATOM 25 C LIG 1 6.757 1.921 0.011 0.00 0.00 +0.036 C ATOM 26 C LIG 1 7.733 1.038 0.798 0.00 0.00 +0.013 C ATOM 27 C LIG 1 7.523 -0.410 0.294 0.00 0.00 +0.030 C ATOM 28 C LIG 1 6.061 -0.362 -0.075 0.00 0.00 -0.040 A ATOM 29 C LIG 1 5.185 -1.409 -0.312 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.866 -1.117 -0.687 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 7.869 -1.461 1.348 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 9.349 -1.504 1.642 0.00 0.00 +0.305 C ATOM 33 O LIG 1 10.217 -0.948 0.990 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 9.638 -2.268 2.722 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 8.855 -2.666 3.148 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13