REMARK Name = BDB047808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.807 -0.733 -0.116 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -2.931 0.667 -0.147 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.830 1.517 0.056 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -0.579 0.930 0.295 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -0.416 -0.464 0.325 0.00 0.00 -0.009 A ATOM 6 C LIG 1 -1.537 -1.281 0.125 0.00 0.00 +0.015 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -6.229 -3.265 -0.744 0.00 0.00 +0.120 A ATOM 8 C LIG 1 -5.453 -3.404 0.405 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -4.338 -2.579 0.606 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -3.977 -1.600 -0.333 0.00 0.00 -0.018 A ATOM 11 C LIG 1 -4.768 -1.472 -1.484 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -5.880 -2.297 -1.685 0.00 0.00 +0.046 A BRANCH 7 14 ATOM 13 C LIG 1 -7.731 -5.003 -0.135 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -7.337 -4.000 -1.062 0.00 0.00 -0.495 OA ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 15 ATOM 15 C LIG 1 -1.986 2.981 0.019 0.00 0.00 -0.018 A ATOM 16 C LIG 1 -2.943 3.628 0.817 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -3.092 5.019 0.783 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -2.289 5.801 -0.058 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -1.325 5.164 -0.851 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -1.179 3.773 -0.813 0.00 0.00 +0.009 A BRANCH 18 21 ATOM 21 C LIG 1 -2.431 7.303 -0.081 0.00 0.00 +0.417 C ATOM 22 F LIG 1 -2.130 7.851 -1.292 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -1.611 7.914 0.819 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -3.692 7.727 0.214 0.00 0.00 -0.166 F ENDBRANCH 18 21 ENDBRANCH 3 15 BRANCH 5 25 ATOM 25 C LIG 1 0.940 -1.069 0.606 0.00 0.00 +0.264 C BRANCH 25 26 ATOM 26 O LIG 1 1.891 -0.512 -0.302 0.00 0.00 -0.487 OA BRANCH 26 27 ATOM 27 C LIG 1 3.189 -0.923 -0.173 0.00 0.00 +0.121 A ATOM 28 C LIG 1 4.070 -0.363 -1.107 0.00 0.00 +0.052 A ATOM 29 C LIG 1 5.434 -0.688 -1.105 0.00 0.00 -0.005 A ATOM 30 C LIG 1 6.356 -0.088 -2.126 0.00 0.00 +0.047 C ATOM 31 C LIG 1 5.908 -1.563 -0.122 0.00 0.00 +0.124 A ATOM 32 C LIG 1 5.034 -2.147 0.795 0.00 0.00 +0.049 A ATOM 33 C LIG 1 3.676 -1.822 0.774 0.00 0.00 +0.049 A BRANCH 31 34 ATOM 34 O LIG 1 7.233 -1.906 -0.090 0.00 0.00 -0.481 OA BRANCH 34 35 ATOM 35 C LIG 1 7.950 -1.100 0.841 0.00 0.00 +0.349 C BRANCH 35 36 ATOM 36 C LIG 1 8.181 -1.748 2.204 0.00 0.00 +0.343 C ATOM 37 O LIG 1 7.807 -2.862 2.540 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 8.873 -0.946 3.055 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 9.124 -0.080 2.682 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11