REMARK Name = BDB061335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.871 -1.805 0.068 0.00 0.00 +0.132 A ATOM 2 C LIG 1 3.005 -2.540 -0.319 0.00 0.00 +0.098 A ATOM 3 C LIG 1 4.279 -1.947 -0.223 0.00 0.00 +0.045 A ATOM 4 C LIG 1 4.435 -0.636 0.237 0.00 0.00 +0.087 A ATOM 5 C LIG 1 3.300 0.076 0.627 0.00 0.00 +0.033 A ATOM 6 C LIG 1 2.027 -0.499 0.539 0.00 0.00 +0.048 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 2.868 -3.952 -0.830 0.00 0.00 +0.421 C ATOM 8 F LIG 1 2.314 -4.802 0.080 0.00 0.00 -0.166 F ATOM 9 F LIG 1 2.107 -4.046 -1.956 0.00 0.00 -0.166 F ATOM 10 F LIG 1 4.068 -4.518 -1.161 0.00 0.00 -0.166 F ENDBRANCH 2 7 BRANCH 4 11 ATOM 11 N LIG 1 5.702 -0.040 0.362 0.00 0.00 -0.149 NA ATOM 12 N LIG 1 6.240 0.083 -0.760 0.00 0.00 -0.149 NA BRANCH 12 13 ATOM 13 C LIG 1 7.505 0.688 -0.640 0.00 0.00 +0.086 A ATOM 14 C LIG 1 7.744 1.905 -1.287 0.00 0.00 +0.029 A ATOM 15 C LIG 1 8.998 2.516 -1.213 0.00 0.00 +0.002 A ATOM 16 C LIG 1 10.028 1.907 -0.497 0.00 0.00 +0.000 A ATOM 17 C LIG 1 9.807 0.688 0.141 0.00 0.00 +0.002 A ATOM 18 C LIG 1 8.552 0.080 0.065 0.00 0.00 +0.029 A ENDBRANCH 12 13 ENDBRANCH 4 11 BRANCH 1 19 ATOM 19 O LIG 1 0.676 -2.456 -0.062 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 -0.531 -1.814 0.355 0.00 0.00 +0.233 C BRANCH 20 21 ATOM 21 C LIG 1 -1.112 -0.965 -0.777 0.00 0.00 +0.076 C BRANCH 21 25 ATOM 22 C LIG 1 -4.855 0.869 0.396 0.00 0.00 +0.122 A ATOM 23 C LIG 1 -4.841 -0.386 -0.200 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -3.629 -0.977 -0.586 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -2.413 -0.316 -0.383 0.00 0.00 -0.044 A ATOM 26 C LIG 1 -2.426 0.943 0.221 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -3.637 1.524 0.603 0.00 0.00 +0.046 A BRANCH 22 28 ATOM 28 O LIG 1 -5.929 1.578 0.829 0.00 0.00 -0.475 OA BRANCH 28 30 ATOM 29 C LIG 1 -7.636 -0.033 1.550 0.00 0.00 +0.067 C ATOM 30 C LIG 1 -7.307 1.196 0.696 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -7.729 1.084 -0.774 0.00 0.00 +0.067 C BRANCH 30 32 ATOM 32 C LIG 1 -8.081 2.401 1.305 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -7.565 3.413 1.763 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -9.434 2.272 1.304 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -9.787 1.448 0.927 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11