REMARK Name = BDB048090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.530 1.911 -2.081 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -2.185 3.186 -2.612 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -2.552 1.234 -1.333 0.00 0.00 -0.488 OA BRANCH 3 7 ATOM 4 C LIG 1 -1.961 -2.727 -0.093 0.00 0.00 -0.047 A ATOM 5 C LIG 1 -2.662 -1.811 0.699 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -2.876 -0.499 0.250 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -2.349 -0.071 -0.978 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -1.677 -0.997 -1.781 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.486 -2.312 -1.342 0.00 0.00 +0.007 A BRANCH 4 11 ATOM 10 C LIG 1 -2.859 -5.068 -0.106 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -1.752 -4.143 0.377 0.00 0.00 +0.032 C ENDBRANCH 4 11 BRANCH 6 12 ATOM 12 C LIG 1 -3.622 0.409 1.152 0.00 0.00 +0.197 C ATOM 13 O LIG 1 -3.295 0.456 2.337 0.00 0.00 -0.287 OA BRANCH 12 14 ATOM 14 C LIG 1 -4.770 1.226 0.671 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -5.107 2.384 1.383 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -6.186 3.170 0.976 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.939 2.797 -0.137 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.618 1.637 -0.841 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.539 0.847 -0.436 0.00 0.00 +0.012 A ENDBRANCH 12 14 ENDBRANCH 6 12 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -0.332 2.224 -1.174 0.00 0.00 +0.085 C BRANCH 20 21 ATOM 21 C LIG 1 0.852 2.815 -1.934 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 1.965 3.018 -1.063 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 2.834 1.985 -0.849 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.939 2.314 -0.059 0.00 0.00 +0.049 A ATOM 25 C LIG 1 4.906 1.357 0.260 0.00 0.00 +0.049 A ATOM 26 C LIG 1 4.754 0.052 -0.193 0.00 0.00 +0.122 A ATOM 27 C LIG 1 3.676 -0.278 -1.014 0.00 0.00 +0.049 A ATOM 28 C LIG 1 2.711 0.682 -1.333 0.00 0.00 +0.049 A BRANCH 26 29 ATOM 29 O LIG 1 5.670 -0.925 0.068 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 5.703 -1.432 1.418 0.00 0.00 +0.200 C ATOM 31 C LIG 1 4.301 -1.701 1.997 0.00 0.00 +0.067 C ATOM 32 C LIG 1 6.437 -2.780 1.296 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 6.559 -0.576 2.373 0.00 0.00 +0.348 C ATOM 34 O LIG 1 7.382 0.275 2.069 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 6.382 -0.875 3.679 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 7.000 -0.271 4.142 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13