HEADER Model coordinates for PDB-CCD A1F COMPND A1F AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 A1F A 1 -19.139 -13.186 11.000 1.00 20.00 C HETATM 2 C2 A1F A 1 -19.222 -11.966 11.693 1.00 20.00 C HETATM 3 C3 A1F A 1 -20.298 -13.889 10.680 1.00 20.00 C HETATM 4 C4 A1F A 1 -17.766 -13.754 10.590 1.00 20.00 C HETATM 5 C5 A1F A 1 -20.477 -11.467 12.072 1.00 20.00 C HETATM 6 C6 A1F A 1 -21.625 -12.190 11.755 1.00 20.00 C HETATM 7 C7 A1F A 1 -21.541 -13.395 11.068 1.00 20.00 C HETATM 8 C8 A1F A 1 -18.495 -12.477 17.638 1.00 20.00 C HETATM 9 C9 A1F A 1 -18.782 -13.998 17.683 1.00 20.00 C HETATM 10 C10 A1F A 1 -19.090 -15.854 13.062 1.00 20.00 C HETATM 11 C11 A1F A 1 -18.071 -15.738 14.018 1.00 20.00 C HETATM 12 C12 A1F A 1 -20.402 -15.522 13.423 1.00 20.00 C HETATM 13 C13 A1F A 1 -20.711 -15.051 14.698 1.00 20.00 C HETATM 14 C14 A1F A 1 -19.698 -14.902 15.651 1.00 20.00 C HETATM 15 C15 A1F A 1 -22.162 -14.666 15.050 1.00 20.00 C HETATM 16 C16 A1F A 1 -18.377 -15.267 15.301 1.00 20.00 C HETATM 17 C17 A1F A 1 -23.017 -11.669 12.168 1.00 20.00 C HETATM 18 C18 A1F A 1 -22.074 -13.301 15.755 1.00 20.00 C HETATM 19 C19 A1F A 1 -21.133 -13.417 16.973 1.00 20.00 C HETATM 20 C20 A1F A 1 -17.787 -12.015 18.937 1.00 20.00 C HETATM 21 F1 A1F A 1 -18.099 -11.266 11.999 1.00 20.00 F HETATM 22 N1 A1F A 1 -20.042 -14.434 17.016 1.00 20.00 N HETATM 23 N2 A1F A 1 -18.846 -16.359 11.686 1.00 20.00 N HETATM 24 O1 A1F A 1 -16.372 -15.952 11.180 1.00 20.00 O HETATM 25 O2 A1F A 1 -21.390 -12.699 17.942 1.00 20.00 O HETATM 26 O3 A1F A 1 -17.835 -16.082 9.351 1.00 20.00 O HETATM 27 S A1F A 1 -17.656 -15.577 10.679 1.00 20.00 S HETATM 28 H1 A1F A 1 -20.233 -14.817 10.131 1.00 20.00 H HETATM 29 H2 A1F A 1 -17.003 -13.329 11.258 1.00 20.00 H HETATM 30 H3 A1F A 1 -17.560 -13.446 9.554 1.00 20.00 H HETATM 31 H4 A1F A 1 -20.553 -10.531 12.605 1.00 20.00 H HETATM 32 H5 A1F A 1 -22.439 -13.948 10.835 1.00 20.00 H HETATM 33 H6 A1F A 1 -17.848 -12.257 16.776 1.00 20.00 H HETATM 34 H7 A1F A 1 -19.445 -11.933 17.532 1.00 20.00 H HETATM 35 H8 A1F A 1 -18.835 -14.302 18.739 1.00 20.00 H HETATM 36 H9 A1F A 1 -17.943 -14.516 17.194 1.00 20.00 H HETATM 37 H10 A1F A 1 -17.057 -16.010 13.767 1.00 20.00 H HETATM 38 H11 A1F A 1 -21.193 -15.634 12.696 1.00 20.00 H HETATM 39 H12 A1F A 1 -22.770 -14.587 14.137 1.00 20.00 H HETATM 40 H13 A1F A 1 -22.605 -15.416 15.721 1.00 20.00 H HETATM 41 H14 A1F A 1 -17.590 -15.181 16.036 1.00 20.00 H HETATM 42 H15 A1F A 1 -23.272 -12.055 13.166 1.00 20.00 H HETATM 43 H16 A1F A 1 -23.004 -10.569 12.193 1.00 20.00 H HETATM 44 H17 A1F A 1 -23.767 -12.011 11.440 1.00 20.00 H HETATM 45 H18 A1F A 1 -21.678 -12.550 15.055 1.00 20.00 H HETATM 46 H19 A1F A 1 -23.076 -12.996 16.092 1.00 20.00 H HETATM 47 H20 A1F A 1 -17.593 -10.934 18.885 1.00 20.00 H HETATM 48 H21 A1F A 1 -18.432 -12.230 19.802 1.00 20.00 H HETATM 49 H22 A1F A 1 -16.834 -12.554 19.047 1.00 20.00 H HETATM 50 H23 A1F A 1 -19.718 -16.307 11.199 1.00 20.00 H CONECT 1 4 3 2 2 CONECT 2 21 5 CONECT 3 7 7 28 CONECT 4 27 29 30 CONECT 5 6 6 31 CONECT 6 7 17 CONECT 7 32 CONECT 8 9 20 33 34 CONECT 9 22 35 36 CONECT 10 23 12 11 11 CONECT 11 16 37 CONECT 12 13 13 38 CONECT 13 15 14 CONECT 14 16 16 22 CONECT 15 18 39 40 CONECT 16 41 CONECT 17 42 43 44 CONECT 18 19 45 46 CONECT 19 22 25 25 CONECT 20 47 48 49 CONECT 23 27 50 CONECT 24 27 27 CONECT 26 27 27 END