REMARK Name = BDB047799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.080 0.594 0.620 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -0.719 1.823 0.408 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -2.117 1.913 0.313 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.868 0.732 0.440 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.262 -0.518 0.656 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.862 -0.565 0.746 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.778 3.209 0.089 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.424 4.024 -0.998 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -3.052 5.256 -1.212 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -4.058 5.704 -0.345 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.410 4.900 0.748 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.781 3.669 0.958 0.00 0.00 +0.009 A BRANCH 10 13 ATOM 13 C LIG 1 -4.721 7.042 -0.560 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -4.103 8.042 0.126 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -4.730 7.433 -1.865 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -6.023 7.062 -0.158 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -3.071 -1.742 0.782 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -4.019 -2.089 -0.194 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -4.793 -3.252 -0.079 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -4.636 -4.094 1.020 0.00 0.00 +0.130 A ATOM 21 C LIG 1 -3.696 -3.759 1.997 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -2.923 -2.599 1.881 0.00 0.00 +0.012 A BRANCH 20 23 ATOM 23 O LIG 1 -5.316 -5.251 1.264 0.00 0.00 -0.406 OA BRANCH 23 24 ATOM 24 C LIG 1 -6.296 -5.652 0.322 0.00 0.00 +0.575 C ATOM 25 F LIG 1 -5.746 -5.872 -0.892 0.00 0.00 -0.133 F ATOM 26 F LIG 1 -7.276 -4.729 0.213 0.00 0.00 -0.133 F ATOM 27 F LIG 1 -6.855 -6.808 0.744 0.00 0.00 -0.133 F ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 5 17 BRANCH 1 28 ATOM 28 C LIG 1 1.424 0.516 0.747 0.00 0.00 +0.264 C BRANCH 28 29 ATOM 29 O LIG 1 1.914 -0.439 -0.194 0.00 0.00 -0.487 OA BRANCH 29 35 ATOM 30 C LIG 1 5.413 -3.212 -2.065 0.00 0.00 +0.047 C ATOM 31 C LIG 1 5.006 -2.114 -1.127 0.00 0.00 -0.005 A ATOM 32 C LIG 1 5.944 -1.444 -0.335 0.00 0.00 +0.124 A ATOM 33 C LIG 1 5.545 -0.455 0.563 0.00 0.00 +0.049 A ATOM 34 C LIG 1 4.201 -0.081 0.643 0.00 0.00 +0.049 A ATOM 35 C LIG 1 3.254 -0.709 -0.165 0.00 0.00 +0.121 A ATOM 36 C LIG 1 3.662 -1.719 -1.045 0.00 0.00 +0.052 A BRANCH 32 37 ATOM 37 O LIG 1 7.266 -1.800 -0.386 0.00 0.00 -0.481 OA BRANCH 37 38 ATOM 38 C LIG 1 7.984 -0.970 -1.295 0.00 0.00 +0.349 C BRANCH 38 39 ATOM 39 C LIG 1 8.742 0.186 -0.643 0.00 0.00 +0.343 C ATOM 40 O LIG 1 8.770 0.440 0.552 0.00 0.00 -0.247 OA BRANCH 39 41 ATOM 41 O LIG 1 9.416 0.945 -1.546 0.00 0.00 -0.478 OA ATOM 42 H LIG 1 9.325 0.651 -2.473 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 32 37 ENDBRANCH 29 35 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 12