REMARK Name = BDB046689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.062 -0.898 -0.406 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.131 -0.895 0.374 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -3.462 -0.717 0.611 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -2.330 -0.612 -0.222 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.491 -0.222 -1.556 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -3.764 0.045 -2.069 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -4.885 -0.088 -1.256 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -4.737 -0.443 0.085 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 -3.344 -1.133 2.061 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 -4.378 -3.458 1.862 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -3.156 -2.641 2.258 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 -6.106 0.209 -1.817 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 -7.143 -0.663 -1.572 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -7.014 -2.049 -1.698 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -8.117 -2.872 -1.465 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -9.347 -2.310 -1.124 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -9.480 -0.925 -1.021 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -8.379 -0.100 -1.253 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 0.692 0.488 -0.487 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 0.954 1.081 0.897 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 1.612 2.345 0.788 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 2.973 2.370 0.654 0.00 0.00 +0.124 A ATOM 23 C LIG 1 3.826 1.269 0.647 0.00 0.00 +0.091 A ATOM 24 C LIG 1 5.204 1.445 0.483 0.00 0.00 +0.129 A ATOM 25 O LIG 1 5.954 0.299 0.492 0.00 0.00 -0.474 OA ATOM 26 C LIG 1 7.306 0.413 0.021 0.00 0.00 +0.203 C ATOM 27 C LIG 1 7.975 1.667 0.605 0.00 0.00 +0.064 C ATOM 28 C LIG 1 7.223 2.918 0.172 0.00 0.00 +0.043 C ATOM 29 C LIG 1 8.014 -0.843 0.549 0.00 0.00 +0.068 C ATOM 30 C LIG 1 5.748 2.724 0.349 0.00 0.00 -0.005 A ATOM 31 C LIG 1 4.890 3.829 0.349 0.00 0.00 +0.011 A ATOM 32 C LIG 1 3.514 3.649 0.505 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 33 C LIG 1 7.372 0.375 -1.529 0.00 0.00 +0.349 C ATOM 34 O LIG 1 6.406 0.248 -2.268 0.00 0.00 -0.246 OA BRANCH 33 35 ATOM 35 O LIG 1 8.624 0.479 -2.044 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 9.350 0.532 -1.397 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12