HEADER Model coordinates for PDB-CCD AF0 COMPND AF0 AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 AF0 A 1 -18.570 -12.098 10.581 1.00 20.00 C HETATM 2 C2 AF0 A 1 -17.994 -10.881 10.994 1.00 20.00 C HETATM 3 C3 AF0 A 1 -19.939 -12.318 10.761 1.00 20.00 C HETATM 4 C4 AF0 A 1 -17.690 -13.155 9.871 1.00 20.00 C HETATM 5 C5 AF0 A 1 -18.785 -9.917 11.610 1.00 20.00 C HETATM 6 C6 AF0 A 1 -20.138 -10.153 11.801 1.00 20.00 C HETATM 7 C7 AF0 A 1 -20.727 -11.344 11.383 1.00 20.00 C HETATM 8 C8 AF0 A 1 -17.962 -11.091 17.511 1.00 20.00 C HETATM 9 C9 AF0 A 1 -18.300 -12.598 17.620 1.00 20.00 C HETATM 10 C10 AF0 A 1 -18.674 -14.746 13.096 1.00 20.00 C HETATM 11 C11 AF0 A 1 -17.645 -14.597 14.027 1.00 20.00 C HETATM 12 C12 AF0 A 1 -19.967 -14.354 13.425 1.00 20.00 C HETATM 13 C13 AF0 A 1 -20.238 -13.795 14.671 1.00 20.00 C HETATM 14 C14 AF0 A 1 -19.225 -13.617 15.604 1.00 20.00 C HETATM 15 C15 AF0 A 1 -21.674 -13.350 15.002 1.00 20.00 C HETATM 16 C16 AF0 A 1 -17.922 -14.031 15.280 1.00 20.00 C HETATM 17 C17 AF0 A 1 -20.971 -9.055 12.484 1.00 20.00 C HETATM 18 C18 AF0 A 1 -21.577 -11.962 15.651 1.00 20.00 C HETATM 19 C19 AF0 A 1 -20.656 -12.039 16.882 1.00 20.00 C HETATM 20 C20 AF0 A 1 -17.312 -10.622 18.834 1.00 20.00 C HETATM 21 F1 AF0 A 1 -18.251 -8.750 12.027 1.00 20.00 F HETATM 22 F2 AF0 A 1 -16.679 -10.644 10.815 1.00 20.00 F HETATM 23 F3 AF0 A 1 -20.496 -13.476 10.356 1.00 20.00 F HETATM 24 F4 AF0 A 1 -22.044 -11.554 11.577 1.00 20.00 F HETATM 25 N1 AF0 A 1 -19.545 -13.034 16.930 1.00 20.00 N HETATM 26 N2 AF0 A 1 -18.476 -15.350 11.763 1.00 20.00 N HETATM 27 O1 AF0 A 1 -16.005 -14.523 11.455 1.00 20.00 O HETATM 28 O2 AF0 A 1 -20.901 -11.295 17.832 1.00 20.00 O HETATM 29 O3 AF0 A 1 -16.992 -15.685 9.708 1.00 20.00 O HETATM 30 S AF0 A 1 -17.229 -14.700 10.723 1.00 20.00 S HETATM 31 H1 AF0 A 1 -18.226 -13.448 8.956 1.00 20.00 H HETATM 32 H2 AF0 A 1 -16.750 -12.652 9.600 1.00 20.00 H HETATM 33 H3 AF0 A 1 -17.261 -10.930 16.679 1.00 20.00 H HETATM 34 H4 AF0 A 1 -18.884 -10.519 17.330 1.00 20.00 H HETATM 35 H5 AF0 A 1 -18.401 -12.845 18.687 1.00 20.00 H HETATM 36 H6 AF0 A 1 -17.460 -13.164 17.191 1.00 20.00 H HETATM 37 H7 AF0 A 1 -16.642 -14.915 13.784 1.00 20.00 H HETATM 38 H8 AF0 A 1 -20.766 -14.484 12.710 1.00 20.00 H HETATM 39 H9 AF0 A 1 -22.274 -13.295 14.082 1.00 20.00 H HETATM 40 H10 AF0 A 1 -22.138 -14.062 15.700 1.00 20.00 H HETATM 41 H11 AF0 A 1 -17.127 -13.912 16.002 1.00 20.00 H HETATM 42 H12 AF0 A 1 -20.968 -9.215 13.572 1.00 20.00 H HETATM 43 H13 AF0 A 1 -20.536 -8.070 12.257 1.00 20.00 H HETATM 44 H14 AF0 A 1 -22.005 -9.094 12.111 1.00 20.00 H HETATM 45 H15 AF0 A 1 -21.163 -11.246 14.926 1.00 20.00 H HETATM 46 H16 AF0 A 1 -22.579 -11.631 15.962 1.00 20.00 H HETATM 47 H17 AF0 A 1 -17.069 -9.551 18.764 1.00 20.00 H HETATM 48 H18 AF0 A 1 -18.014 -10.785 19.665 1.00 20.00 H HETATM 49 H19 AF0 A 1 -16.391 -11.196 19.014 1.00 20.00 H HETATM 50 H20 AF0 A 1 -19.342 -15.267 11.271 1.00 20.00 H CONECT 1 4 3 2 2 CONECT 2 22 5 CONECT 3 23 7 7 CONECT 4 30 31 32 CONECT 5 6 6 21 CONECT 6 7 17 CONECT 7 24 CONECT 8 9 20 33 34 CONECT 9 25 35 36 CONECT 10 26 12 11 11 CONECT 11 16 37 CONECT 12 13 13 38 CONECT 13 15 14 CONECT 14 16 16 25 CONECT 15 18 39 40 CONECT 16 41 CONECT 17 42 43 44 CONECT 18 19 45 46 CONECT 19 25 28 28 CONECT 20 47 48 49 CONECT 26 30 50 CONECT 27 30 30 CONECT 29 30 30 END