REMARK Name = BDB060736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.318 0.834 0.060 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.512 1.491 0.187 0.00 0.00 +0.125 A ATOM 3 C LIG 1 2.622 0.641 0.298 0.00 0.00 +0.092 A ATOM 4 C LIG 1 3.868 1.214 0.429 0.00 0.00 +0.143 A ATOM 5 O LIG 1 5.057 0.533 0.549 0.00 0.00 -0.451 OA ATOM 6 C LIG 1 6.043 1.508 0.653 0.00 0.00 +0.176 C ATOM 7 C LIG 1 5.446 2.869 0.601 0.00 0.00 +0.231 C ATOM 8 O LIG 1 5.990 3.949 0.665 0.00 0.00 -0.283 OA ATOM 9 C LIG 1 7.357 1.295 0.801 0.00 0.00 +0.058 C ATOM 10 C LIG 1 4.022 2.595 0.453 0.00 0.00 +0.068 A ATOM 11 C LIG 1 2.953 3.461 0.347 0.00 0.00 +0.019 A ATOM 12 C LIG 1 1.680 2.893 0.212 0.00 0.00 +0.046 A BRANCH 9 13 ATOM 13 C LIG 1 8.008 -0.019 0.875 0.00 0.00 -0.021 A ATOM 14 C LIG 1 7.659 -1.078 0.024 0.00 0.00 +0.011 A ATOM 15 C LIG 1 8.325 -2.303 0.107 0.00 0.00 +0.039 A ATOM 16 C LIG 1 9.350 -2.466 1.031 0.00 0.00 +0.123 A ATOM 17 F LIG 1 9.989 -3.640 1.108 0.00 0.00 -0.205 F ATOM 18 C LIG 1 9.723 -1.425 1.871 0.00 0.00 +0.039 A ATOM 19 C LIG 1 9.057 -0.200 1.790 0.00 0.00 +0.011 A ENDBRANCH 9 13 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -0.862 1.628 -0.043 0.00 0.00 +0.264 C BRANCH 20 27 ATOM 21 C LIG 1 -3.771 -1.289 -2.907 0.00 0.00 +0.047 C ATOM 22 C LIG 1 -3.473 -0.724 -1.549 0.00 0.00 -0.008 A ATOM 23 C LIG 1 -4.252 -1.023 -0.419 0.00 0.00 +0.128 A ATOM 24 C LIG 1 -3.865 -0.565 0.852 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -4.586 -0.965 2.107 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -2.775 0.314 0.958 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -2.042 0.697 -0.171 0.00 0.00 -0.010 A ATOM 28 C LIG 1 -2.386 0.155 -1.415 0.00 0.00 +0.014 A BRANCH 23 29 ATOM 29 O LIG 1 -5.335 -1.853 -0.548 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.602 -1.193 -0.721 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -7.173 -1.655 -2.075 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -7.542 -1.770 0.357 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -6.685 0.355 -0.634 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -6.996 1.017 0.346 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.352 0.991 -1.778 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -6.385 1.939 -1.535 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8