REMARK Name = BDB047757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.034 -2.385 -0.394 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.272 -1.988 -0.314 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.935 -1.911 -1.542 0.00 0.00 +0.054 A ATOM 4 C LIG 1 3.276 -1.502 -1.622 0.00 0.00 -0.014 A ATOM 5 C LIG 1 3.973 -1.186 -0.433 0.00 0.00 -0.017 A ATOM 6 C LIG 1 5.315 -0.776 -0.507 0.00 0.00 +0.020 A ATOM 7 C LIG 1 5.957 -0.652 -1.747 0.00 0.00 +0.023 A ATOM 8 C LIG 1 5.269 -0.983 -2.918 0.00 0.00 +0.012 A ATOM 9 C LIG 1 3.305 -1.292 0.797 0.00 0.00 +0.012 A ATOM 10 C LIG 1 3.938 -1.402 -2.856 0.00 0.00 +0.009 A ATOM 11 C LIG 1 1.964 -1.688 0.856 0.00 0.00 +0.046 A BRANCH 7 12 ATOM 12 C LIG 1 7.375 -0.215 -1.861 0.00 0.00 +0.193 C ATOM 13 O LIG 1 8.053 -0.602 -2.810 0.00 0.00 -0.287 OA BRANCH 12 14 ATOM 14 C LIG 1 7.996 0.681 -0.855 0.00 0.00 +0.022 A ATOM 15 C LIG 1 7.306 1.779 -0.327 0.00 0.00 +0.012 A ATOM 16 C LIG 1 7.928 2.603 0.614 0.00 0.00 +0.001 A ATOM 17 C LIG 1 9.237 2.341 1.016 0.00 0.00 +0.000 A ATOM 18 C LIG 1 9.935 1.262 0.471 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.318 0.435 -0.469 0.00 0.00 +0.012 A ENDBRANCH 12 14 ENDBRANCH 7 12 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -0.920 -2.045 0.673 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 -1.308 -0.563 0.646 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 -1.985 -0.166 -0.667 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 -3.219 -0.864 -0.844 0.00 0.00 -0.492 OA BRANCH 23 28 ATOM 24 N LIG 1 -8.151 0.606 1.097 0.00 0.00 -0.336 N ATOM 25 C LIG 1 -6.829 0.451 0.730 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -6.742 -0.754 0.031 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -5.493 -1.155 -0.481 0.00 0.00 +0.055 A ATOM 28 C LIG 1 -4.361 -0.353 -0.288 0.00 0.00 +0.121 A ATOM 29 C LIG 1 -4.476 0.843 0.418 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -8.044 -1.323 0.004 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -5.707 1.268 0.937 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -8.891 -0.466 0.667 0.00 0.00 +0.087 A BRANCH 24 33 ATOM 33 C LIG 1 -8.704 1.762 1.789 0.00 0.00 +0.242 C BRANCH 33 35 ATOM 34 O LIG 1 -9.146 4.082 1.406 0.00 0.00 -0.249 OA ATOM 35 C LIG 1 -8.907 2.981 0.921 0.00 0.00 +0.325 C BRANCH 35 36 ATOM 36 O LIG 1 -8.861 2.810 -0.419 0.00 0.00 -0.479 OA ATOM 37 H LIG 1 -8.622 1.916 -0.738 0.00 0.00 +0.295 HD ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11