REMARK Name = BDB030873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.938 0.067 0.896 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -0.709 0.964 1.915 0.00 0.00 +0.099 A ATOM 3 C LIG 1 0.621 1.180 2.192 0.00 0.00 +0.129 A ATOM 4 N LIG 1 1.634 0.567 1.550 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 1.311 -0.310 0.596 0.00 0.00 +0.216 A ATOM 6 N LIG 1 0.054 -0.576 0.240 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 16 ATOM 7 C LIG 1 -6.521 2.677 -1.609 0.00 0.00 +0.133 C ATOM 8 N LIG 1 -5.618 1.958 -0.729 0.00 0.00 -0.289 N ATOM 9 C LIG 1 -5.518 0.582 -0.964 0.00 0.00 +0.321 C ATOM 10 N LIG 1 -4.348 -0.022 -0.427 0.00 0.00 -0.270 N ATOM 11 C LIG 1 -4.149 -1.394 -0.229 0.00 0.00 +0.062 A ATOM 12 C LIG 1 -2.869 -1.571 0.312 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -2.429 -2.878 0.619 0.00 0.00 +0.014 A ATOM 14 C LIG 1 -3.270 -3.969 0.385 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.533 -3.768 -0.146 0.00 0.00 +0.119 A ATOM 16 C LIG 1 -2.270 -0.285 0.431 0.00 0.00 +0.027 A ATOM 17 C LIG 1 -5.003 -2.493 -0.461 0.00 0.00 +0.072 A ATOM 18 C LIG 1 -3.165 0.625 -0.084 0.00 0.00 +0.106 A ATOM 19 O LIG 1 -6.299 -0.083 -1.633 0.00 0.00 -0.249 OA ATOM 20 C LIG 1 -5.565 2.469 0.638 0.00 0.00 +0.133 C BRANCH 15 21 ATOM 21 O LIG 1 -5.312 -4.870 -0.356 0.00 0.00 -0.507 OA ATOM 22 H LIG 1 -6.140 -4.582 -0.776 0.00 0.00 +0.292 HD ENDBRANCH 15 21 ENDBRANCH 1 16 BRANCH 2 23 ATOM 23 C LIG 1 -1.771 1.665 2.675 0.00 0.00 +0.421 C ATOM 24 F LIG 1 -2.365 2.662 1.960 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -2.779 0.855 3.099 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -1.303 2.271 3.805 0.00 0.00 -0.166 F ENDBRANCH 2 23 BRANCH 5 27 ATOM 27 N LIG 1 2.286 -1.009 -0.098 0.00 0.00 -0.309 N ATOM 28 H LIG 1 1.816 -1.364 -0.925 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 3.545 -0.302 -0.332 0.00 0.00 +0.087 C ATOM 30 C LIG 1 4.162 -0.756 -1.685 0.00 0.00 +0.103 C ATOM 31 N LIG 1 5.631 -0.797 -1.758 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 5.936 -1.721 -1.444 0.00 0.00 +0.123 HD ATOM 33 C LIG 1 6.297 0.219 -0.929 0.00 0.00 +0.014 C ATOM 34 C LIG 1 7.815 -0.024 -1.049 0.00 0.00 +0.027 C ATOM 35 C LIG 1 6.018 1.634 -1.473 0.00 0.00 +0.027 C ATOM 36 C LIG 1 5.885 0.088 0.561 0.00 0.00 +0.023 C ATOM 37 C LIG 1 4.535 -0.602 0.793 0.00 0.00 +0.025 C ENDBRANCH 27 29 ENDBRANCH 5 27 TORSDOF 5