REMARK Name = BDB019888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.128 0.290 0.992 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.749 -0.642 0.434 0.00 0.00 +0.143 A ATOM 3 F LIG 1 -0.532 -1.959 0.599 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.871 -0.240 -0.308 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -2.106 1.135 -0.472 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -1.245 2.094 0.084 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.132 1.658 0.817 0.00 0.00 +0.021 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -2.799 -1.225 -0.886 0.00 0.00 -0.003 A ATOM 9 C LIG 1 -2.493 -1.972 -2.050 0.00 0.00 +0.065 A ATOM 10 C LIG 1 -3.431 -2.906 -2.533 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -4.646 -3.083 -1.884 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -5.525 -3.974 -2.364 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.963 -2.349 -0.752 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.045 -1.425 -0.256 0.00 0.00 +0.012 A BRANCH 9 15 ATOM 15 C LIG 1 -1.188 -1.793 -2.792 0.00 0.00 +0.418 C ATOM 16 F LIG 1 -0.111 -2.233 -2.084 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -1.145 -2.469 -3.976 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -0.929 -0.494 -3.109 0.00 0.00 -0.166 F ENDBRANCH 9 15 ENDBRANCH 4 8 BRANCH 1 21 ATOM 19 N LIG 1 1.718 -1.422 1.729 0.00 0.00 -0.307 N ATOM 20 H LIG 1 1.217 -2.061 1.122 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 1.341 -0.099 1.764 0.00 0.00 +0.247 C ATOM 22 O LIG 1 1.972 0.760 2.375 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 2.978 -1.875 2.272 0.00 0.00 +0.140 C BRANCH 23 28 ATOM 24 C LIG 1 5.263 -3.055 -0.543 0.00 0.00 +0.124 A ATOM 25 C LIG 1 5.971 -1.881 -0.810 0.00 0.00 +0.091 A ATOM 26 C LIG 1 5.720 -0.708 -0.096 0.00 0.00 +0.124 A ATOM 27 C LIG 1 4.754 -0.717 0.908 0.00 0.00 +0.051 A ATOM 28 C LIG 1 4.041 -1.891 1.203 0.00 0.00 -0.023 A ATOM 29 C LIG 1 4.296 -3.056 0.462 0.00 0.00 +0.051 A BRANCH 24 31 ATOM 30 C LIG 1 4.859 -5.317 -1.157 0.00 0.00 +0.277 C ATOM 31 O LIG 1 5.607 -4.122 -1.329 0.00 0.00 -0.495 OA ENDBRANCH 24 31 BRANCH 26 32 ATOM 32 O LIG 1 6.476 0.367 -0.474 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 6.219 1.597 0.192 0.00 0.00 +0.277 C ENDBRANCH 26 32 ENDBRANCH 23 28 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 6 34 ATOM 34 C LIG 1 -1.516 3.573 -0.097 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -2.716 3.973 0.606 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -3.986 4.127 0.037 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -4.359 4.033 -1.188 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -3.561 3.824 -1.784 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -4.812 4.429 1.124 0.00 0.00 -0.320 N ATOM 40 C LIG 1 -6.199 4.796 0.982 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -4.062 4.495 2.287 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -2.792 4.202 1.979 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9