REMARK Name = BDB048667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.077 -1.763 0.076 0.00 0.00 +0.125 A ATOM 2 C LIG 1 -0.891 -0.555 0.773 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.815 0.491 0.599 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -2.924 0.344 -0.243 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -3.101 -0.865 -0.920 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.183 -1.909 -0.765 0.00 0.00 +0.046 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -0.370 -4.016 -0.256 0.00 0.00 +0.277 C ATOM 8 O LIG 1 -0.113 -2.719 0.268 0.00 0.00 -0.495 OA ENDBRANCH 1 8 BRANCH 2 9 ATOM 9 C LIG 1 0.293 -0.346 1.684 0.00 0.00 +0.143 C BRANCH 9 10 ATOM 10 N LIG 1 1.498 -0.114 0.920 0.00 0.00 -0.307 N ATOM 11 H LIG 1 1.616 -0.707 0.110 0.00 0.00 +0.149 HD ATOM 12 C LIG 1 2.622 0.397 1.527 0.00 0.00 +0.244 C ATOM 13 O LIG 1 2.645 0.796 2.686 0.00 0.00 -0.270 OA BRANCH 12 14 ATOM 14 C LIG 1 3.864 0.415 0.704 0.00 0.00 +0.037 A ATOM 15 C LIG 1 5.100 0.405 1.362 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.290 0.424 0.629 0.00 0.00 +0.013 A ATOM 17 C LIG 1 6.263 0.457 -0.773 0.00 0.00 +0.055 A ATOM 18 C LIG 1 5.020 0.492 -1.426 0.00 0.00 +0.013 A ATOM 19 C LIG 1 3.828 0.472 -0.694 0.00 0.00 +0.013 A BRANCH 17 20 ATOM 20 C LIG 1 7.547 0.503 -1.567 0.00 0.00 +0.417 C ATOM 21 F LIG 1 7.953 1.777 -1.821 0.00 0.00 -0.166 F ATOM 22 F LIG 1 8.589 -0.105 -0.935 0.00 0.00 -0.166 F ATOM 23 F LIG 1 7.443 -0.107 -2.781 0.00 0.00 -0.166 F ENDBRANCH 17 20 ENDBRANCH 12 14 ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 24 ATOM 24 C LIG 1 -3.919 1.470 -0.404 0.00 0.00 +0.049 C BRANCH 24 25 ATOM 25 C LIG 1 -4.876 1.602 0.788 0.00 0.00 +0.099 C ATOM 26 C LIG 1 -5.713 2.874 0.683 0.00 0.00 +0.019 C BRANCH 25 27 ATOM 27 C LIG 1 -5.802 0.416 0.918 0.00 0.00 +0.308 C ATOM 28 O LIG 1 -6.058 -0.180 1.952 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 -6.420 0.072 -0.228 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 -6.998 -0.674 0.040 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 9