REMARK Name = BDB047805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.460 1.083 -0.210 0.00 0.00 -0.017 A ATOM 2 C LIG 1 2.933 -0.219 0.037 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.118 -1.212 0.607 0.00 0.00 -0.017 A ATOM 4 C LIG 1 0.796 -0.873 0.937 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.296 0.419 0.717 0.00 0.00 -0.009 A ATOM 6 C LIG 1 1.132 1.382 0.135 0.00 0.00 +0.015 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.005 4.059 -1.993 0.00 0.00 +0.120 A ATOM 8 C LIG 1 3.769 3.760 -2.561 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.942 2.791 -1.977 0.00 0.00 +0.012 A ATOM 10 C LIG 1 3.332 2.101 -0.818 0.00 0.00 -0.018 A ATOM 11 C LIG 1 4.579 2.413 -0.259 0.00 0.00 +0.012 A ATOM 12 C LIG 1 5.404 3.381 -0.841 0.00 0.00 +0.046 A BRANCH 7 14 ATOM 13 C LIG 1 5.549 5.685 -3.639 0.00 0.00 +0.277 C ATOM 14 O LIG 1 5.905 4.978 -2.458 0.00 0.00 -0.495 OA ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 15 ATOM 15 C LIG 1 2.632 -2.571 0.847 0.00 0.00 -0.018 A ATOM 16 C LIG 1 1.958 -3.699 0.358 0.00 0.00 +0.012 A ATOM 17 C LIG 1 2.449 -4.987 0.592 0.00 0.00 +0.046 A ATOM 18 C LIG 1 3.623 -5.181 1.321 0.00 0.00 +0.120 A ATOM 19 C LIG 1 4.305 -4.071 1.814 0.00 0.00 +0.046 A ATOM 20 C LIG 1 3.814 -2.780 1.577 0.00 0.00 +0.012 A BRANCH 18 21 ATOM 21 O LIG 1 3.990 -6.489 1.478 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 5.168 -6.739 2.234 0.00 0.00 +0.277 C ENDBRANCH 18 21 ENDBRANCH 3 15 BRANCH 5 23 ATOM 23 C LIG 1 -1.130 0.751 1.079 0.00 0.00 +0.264 C BRANCH 23 24 ATOM 24 O LIG 1 -1.975 0.231 0.056 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -3.324 0.349 0.242 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -3.956 1.029 1.283 0.00 0.00 +0.052 A ATOM 27 C LIG 1 -5.361 1.076 1.359 0.00 0.00 -0.005 A ATOM 28 C LIG 1 -6.022 1.805 2.497 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -6.133 0.445 0.369 0.00 0.00 +0.124 A ATOM 30 C LIG 1 -5.497 -0.251 -0.660 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -4.102 -0.289 -0.724 0.00 0.00 +0.049 A BRANCH 29 32 ATOM 32 O LIG 1 -7.492 0.529 0.518 0.00 0.00 -0.481 OA BRANCH 32 33 ATOM 33 C LIG 1 -8.277 0.483 -0.663 0.00 0.00 +0.349 C BRANCH 33 34 ATOM 34 C LIG 1 -8.790 -0.899 -1.061 0.00 0.00 +0.343 C ATOM 35 O LIG 1 -8.522 -1.950 -0.499 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 -9.598 -0.863 -2.153 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 -9.752 0.029 -2.518 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 11