REMARK Name = BDB047795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.019 -0.258 -1.835 0.00 0.00 +0.083 A ATOM 2 N LIG 1 -0.603 -1.367 -1.337 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -1.712 -1.196 -0.593 0.00 0.00 +0.161 A ATOM 4 N LIG 1 -2.264 0.001 -0.322 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 -1.663 1.100 -0.826 0.00 0.00 +0.075 A ATOM 6 C LIG 1 -0.531 1.007 -1.612 0.00 0.00 +0.055 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.367 -2.399 -0.040 0.00 0.00 +0.019 A ATOM 8 C LIG 1 -3.486 -2.305 0.806 0.00 0.00 +0.015 A ATOM 9 C LIG 1 -4.107 -3.448 1.326 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.632 -4.723 1.018 0.00 0.00 +0.130 A ATOM 11 C LIG 1 -2.524 -4.842 0.183 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -1.904 -3.695 -0.336 0.00 0.00 +0.015 A BRANCH 10 13 ATOM 13 O LIG 1 -4.333 -5.743 1.592 0.00 0.00 -0.406 OA BRANCH 13 14 ATOM 14 C LIG 1 -3.912 -7.068 1.321 0.00 0.00 +0.575 C ATOM 15 F LIG 1 -4.731 -7.924 1.972 0.00 0.00 -0.133 F ATOM 16 F LIG 1 -3.983 -7.344 0.001 0.00 0.00 -0.133 F ATOM 17 F LIG 1 -2.652 -7.279 1.760 0.00 0.00 -0.133 F ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 18 ATOM 18 C LIG 1 -2.301 2.390 -0.484 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.689 2.474 -0.278 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -4.319 3.685 0.046 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -3.569 4.851 0.176 0.00 0.00 +0.130 A ATOM 22 C LIG 1 -2.188 4.786 -0.018 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -1.562 3.576 -0.339 0.00 0.00 +0.013 A BRANCH 21 24 ATOM 24 O LIG 1 -4.040 6.094 0.483 0.00 0.00 -0.406 OA BRANCH 24 25 ATOM 25 C LIG 1 -5.430 6.232 0.722 0.00 0.00 +0.575 C ATOM 26 F LIG 1 -5.692 7.526 1.012 0.00 0.00 -0.133 F ATOM 27 F LIG 1 -5.822 5.480 1.772 0.00 0.00 -0.133 F ATOM 28 F LIG 1 -6.149 5.896 -0.370 0.00 0.00 -0.133 F ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 5 18 BRANCH 1 29 ATOM 29 C LIG 1 1.221 -0.451 -2.680 0.00 0.00 +0.284 C BRANCH 29 30 ATOM 30 O LIG 1 2.224 0.543 -2.445 0.00 0.00 -0.486 OA BRANCH 30 36 ATOM 31 C LIG 1 5.838 2.577 0.042 0.00 0.00 +0.047 C ATOM 32 C LIG 1 4.826 1.471 -0.080 0.00 0.00 -0.005 A ATOM 33 C LIG 1 4.737 0.465 0.896 0.00 0.00 +0.124 A ATOM 34 C LIG 1 3.784 -0.546 0.749 0.00 0.00 +0.049 A ATOM 35 C LIG 1 2.925 -0.565 -0.358 0.00 0.00 +0.049 A ATOM 36 C LIG 1 3.006 0.429 -1.329 0.00 0.00 +0.122 A ATOM 37 C LIG 1 3.958 1.441 -1.184 0.00 0.00 +0.052 A BRANCH 33 38 ATOM 38 O LIG 1 5.616 0.579 1.940 0.00 0.00 -0.481 OA BRANCH 38 39 ATOM 39 C LIG 1 5.663 -0.457 2.908 0.00 0.00 +0.349 C BRANCH 39 40 ATOM 40 C LIG 1 6.324 -1.742 2.439 0.00 0.00 +0.343 C ATOM 41 O LIG 1 5.863 -2.867 2.554 0.00 0.00 -0.247 OA BRANCH 40 42 ATOM 42 O LIG 1 7.535 -1.552 1.879 0.00 0.00 -0.478 OA ATOM 43 H LIG 1 7.824 -2.447 1.605 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 33 38 ENDBRANCH 30 36 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 13