REMARK Name = BDB060746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.196 -1.127 0.993 0.00 0.00 +0.125 A ATOM 2 C LIG 1 2.293 -0.474 0.412 0.00 0.00 +0.092 A ATOM 3 C LIG 1 3.558 -0.908 0.744 0.00 0.00 +0.143 A ATOM 4 O LIG 1 4.738 -0.384 0.268 0.00 0.00 -0.451 OA ATOM 5 C LIG 1 5.749 -1.126 0.871 0.00 0.00 +0.176 C ATOM 6 C LIG 1 5.180 -2.169 1.764 0.00 0.00 +0.231 C ATOM 7 O LIG 1 5.752 -2.998 2.437 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 7.063 -0.941 0.698 0.00 0.00 +0.058 C ATOM 9 C LIG 1 3.744 -1.963 1.630 0.00 0.00 +0.068 A ATOM 10 C LIG 1 2.688 -2.627 2.221 0.00 0.00 +0.019 A ATOM 11 C LIG 1 1.396 -2.196 1.892 0.00 0.00 +0.046 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 7.610 0.097 -0.181 0.00 0.00 -0.010 A ATOM 13 C LIG 1 8.150 1.295 0.325 0.00 0.00 +0.062 A ATOM 14 C LIG 1 8.658 2.247 -0.580 0.00 0.00 +0.013 A ATOM 15 C LIG 1 8.628 2.017 -1.956 0.00 0.00 +0.001 A ATOM 16 C LIG 1 8.089 0.833 -2.449 0.00 0.00 +0.001 A ATOM 17 C LIG 1 7.583 -0.122 -1.567 0.00 0.00 +0.008 A BRANCH 13 18 ATOM 18 C LIG 1 8.188 1.579 1.808 0.00 0.00 +0.418 C ATOM 19 F LIG 1 8.906 0.653 2.505 0.00 0.00 -0.166 F ATOM 20 F LIG 1 8.755 2.782 2.114 0.00 0.00 -0.166 F ATOM 21 F LIG 1 6.951 1.606 2.377 0.00 0.00 -0.166 F ENDBRANCH 13 18 ENDBRANCH 8 12 BRANCH 1 22 ATOM 22 O LIG 1 -0.019 -0.629 0.605 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 -1.184 -1.244 1.148 0.00 0.00 +0.264 C BRANCH 23 30 ATOM 24 C LIG 1 -4.930 2.072 1.615 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -4.228 1.045 0.774 0.00 0.00 -0.008 A ATOM 26 C LIG 1 -4.671 0.693 -0.512 0.00 0.00 +0.128 A ATOM 27 C LIG 1 -3.918 -0.188 -1.307 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -4.274 -0.495 -2.733 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -2.800 -0.824 -0.745 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -2.395 -0.555 0.568 0.00 0.00 -0.010 A ATOM 31 C LIG 1 -3.104 0.397 1.310 0.00 0.00 +0.014 A BRANCH 26 32 ATOM 32 O LIG 1 -5.791 1.293 -1.027 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 -7.017 0.557 -0.864 0.00 0.00 +0.200 C ATOM 34 C LIG 1 -7.643 0.436 -2.268 0.00 0.00 +0.067 C ATOM 35 C LIG 1 -7.974 1.447 -0.047 0.00 0.00 +0.067 C BRANCH 33 36 ATOM 36 C LIG 1 -6.986 -0.865 -0.241 0.00 0.00 +0.348 C ATOM 37 O LIG 1 -6.959 -1.928 -0.846 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.965 -0.875 1.110 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -6.870 -1.825 1.332 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 23 30 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 9