REMARK Name = BDB047789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.186 -0.538 0.494 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -0.777 0.674 0.882 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -2.163 0.786 1.074 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.952 -0.359 0.873 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.393 -1.591 0.491 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -1.003 -1.662 0.309 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.771 2.066 1.474 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -3.823 2.630 0.732 0.00 0.00 +0.021 A ATOM 9 C LIG 1 -4.410 3.854 1.100 0.00 0.00 +0.055 A ATOM 10 C LIG 1 -3.941 4.514 2.244 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -2.898 3.971 2.991 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.319 2.759 2.608 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 C LIG 1 -5.551 4.423 0.295 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -5.445 4.165 -1.039 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -5.663 5.777 0.402 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -6.756 3.917 0.678 0.00 0.00 -0.166 F ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -3.244 -2.775 0.289 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -3.005 -3.966 0.993 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.813 -5.092 0.802 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -4.888 -5.053 -0.096 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -5.127 -3.871 -0.809 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -4.317 -2.747 -0.615 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 -5.746 -6.274 -0.320 0.00 0.00 +0.417 C ATOM 24 F LIG 1 -5.852 -7.064 0.785 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -7.024 -5.972 -0.683 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -5.258 -7.076 -1.306 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 C LIG 1 1.311 -0.634 0.310 0.00 0.00 +0.264 C BRANCH 27 28 ATOM 28 O LIG 1 1.731 0.389 -0.591 0.00 0.00 -0.487 OA BRANCH 28 34 ATOM 29 C LIG 1 5.121 2.964 -2.884 0.00 0.00 +0.047 C ATOM 30 C LIG 1 4.774 1.807 -1.989 0.00 0.00 -0.005 A ATOM 31 C LIG 1 5.775 0.965 -1.478 0.00 0.00 +0.124 A ATOM 32 C LIG 1 5.415 -0.091 -0.636 0.00 0.00 +0.049 A ATOM 33 C LIG 1 4.071 -0.323 -0.314 0.00 0.00 +0.049 A ATOM 34 C LIG 1 3.073 0.503 -0.825 0.00 0.00 +0.121 A ATOM 35 C LIG 1 3.431 1.562 -1.660 0.00 0.00 +0.052 A BRANCH 31 36 ATOM 36 O LIG 1 7.056 1.277 -1.845 0.00 0.00 -0.481 OA BRANCH 36 37 ATOM 37 C LIG 1 8.081 0.322 -1.616 0.00 0.00 +0.349 C BRANCH 37 38 ATOM 38 C LIG 1 8.709 0.377 -0.232 0.00 0.00 +0.343 C ATOM 39 O LIG 1 8.427 1.118 0.694 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 9.689 -0.543 -0.084 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 10.014 -0.389 0.829 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 31 36 ENDBRANCH 28 34 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 11