REMARK Name = BDB060745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.851 1.370 -0.630 0.00 0.00 +0.125 A ATOM 2 C LIG 1 2.069 1.249 0.056 0.00 0.00 +0.092 A ATOM 3 C LIG 1 3.055 0.467 -0.504 0.00 0.00 +0.143 A ATOM 4 O LIG 1 4.303 0.245 0.031 0.00 0.00 -0.451 OA ATOM 5 C LIG 1 4.954 -0.596 -0.866 0.00 0.00 +0.176 C ATOM 6 C LIG 1 4.072 -0.922 -2.019 0.00 0.00 +0.231 C ATOM 7 O LIG 1 4.298 -1.618 -2.984 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 6.194 -1.086 -0.738 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.850 -0.190 -1.712 0.00 0.00 +0.068 A ATOM 10 C LIG 1 1.663 -0.101 -2.408 0.00 0.00 +0.019 A ATOM 11 C LIG 1 0.651 0.691 -1.850 0.00 0.00 +0.046 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 7.107 -0.817 0.379 0.00 0.00 -0.021 A ATOM 13 C LIG 1 7.273 0.463 0.921 0.00 0.00 +0.008 A ATOM 14 C LIG 1 8.177 0.683 1.965 0.00 0.00 +0.013 A ATOM 15 C LIG 1 8.948 -0.370 2.477 0.00 0.00 +0.055 A ATOM 16 C LIG 1 8.787 -1.650 1.928 0.00 0.00 +0.013 A ATOM 17 C LIG 1 7.883 -1.868 0.884 0.00 0.00 +0.008 A BRANCH 15 18 ATOM 18 C LIG 1 9.906 -0.137 3.619 0.00 0.00 +0.417 C ATOM 19 F LIG 1 10.975 -0.982 3.602 0.00 0.00 -0.166 F ATOM 20 F LIG 1 10.429 1.121 3.631 0.00 0.00 -0.166 F ATOM 21 F LIG 1 9.315 -0.307 4.834 0.00 0.00 -0.166 F ENDBRANCH 15 18 ENDBRANCH 8 12 BRANCH 1 22 ATOM 22 O LIG 1 -0.071 2.157 0.007 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 -1.252 2.542 -0.702 0.00 0.00 +0.264 C BRANCH 23 30 ATOM 24 C LIG 1 -3.627 -1.154 1.757 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -3.560 -0.252 0.559 0.00 0.00 -0.008 A ATOM 26 C LIG 1 -4.508 -0.297 -0.476 0.00 0.00 +0.128 A ATOM 27 C LIG 1 -4.340 0.485 -1.629 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -5.269 0.399 -2.806 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -3.284 1.411 -1.678 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -2.362 1.517 -0.629 0.00 0.00 -0.010 A ATOM 31 C LIG 1 -2.516 0.685 0.486 0.00 0.00 +0.014 A BRANCH 26 32 ATOM 32 O LIG 1 -5.555 -1.180 -0.411 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 -6.728 -0.705 0.275 0.00 0.00 +0.200 C ATOM 34 C LIG 1 -7.886 -0.716 -0.741 0.00 0.00 +0.067 C ATOM 35 C LIG 1 -7.075 -1.774 1.330 0.00 0.00 +0.067 C BRANCH 33 36 ATOM 36 C LIG 1 -6.702 0.673 0.993 0.00 0.00 +0.348 C ATOM 37 O LIG 1 -6.538 0.872 2.188 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.868 1.728 0.166 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -6.754 2.503 0.754 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