HEADER Model coordinates for PDB-CCD A4K COMPND A4K AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 A4K A 1 3.288 22.257 36.608 1.00 20.00 C HETATM 2 C2 A4K A 1 1.780 22.085 36.634 1.00 20.00 C HETATM 3 C4 A4K A 1 1.248 22.353 34.259 1.00 20.00 C HETATM 4 C5 A4K A 1 1.517 22.573 33.107 1.00 20.00 C HETATM 5 C6 A4K A 1 -0.575 21.930 35.875 1.00 20.00 C HETATM 6 C8 A4K A 1 1.197 21.783 30.839 1.00 20.00 C HETATM 7 C9 A4K A 1 0.015 21.930 30.209 1.00 20.00 C HETATM 8 C10 A4K A 1 -0.766 23.193 30.303 1.00 20.00 C HETATM 9 C11 A4K A 1 -0.230 24.346 31.127 1.00 20.00 C HETATM 10 C12 A4K A 1 1.309 24.338 31.277 1.00 20.00 C HETATM 11 C13 A4K A 1 1.946 20.482 30.708 1.00 20.00 C HETATM 12 C14 A4K A 1 1.932 24.838 29.945 1.00 20.00 C HETATM 13 C15 A4K A 1 1.697 25.411 32.314 1.00 20.00 C HETATM 14 O11 A4K A 1 3.842 22.452 35.498 1.00 20.00 O HETATM 15 O12 A4K A 1 3.804 22.181 37.754 1.00 20.00 O HETATM 16 C3 A4K A 1 0.886 22.124 35.622 1.00 20.00 C HETATM 17 F20 A4K A 1 -0.863 21.384 37.091 1.00 20.00 F HETATM 18 F21 A4K A 1 -1.174 21.138 34.944 1.00 20.00 F HETATM 19 F22 A4K A 1 -1.229 23.117 35.831 1.00 20.00 F HETATM 20 C7 A4K A 1 1.819 22.897 31.696 1.00 20.00 C HETATM 21 O7 A4K A 1 3.244 22.842 31.569 1.00 20.00 O HETATM 22 O10 A4K A 1 -1.833 23.266 29.701 1.00 20.00 O HETATM 23 H1 A4K A 1 1.357 21.904 37.611 1.00 20.00 H HETATM 24 H2 A4K A 1 -0.375 21.112 29.622 1.00 20.00 H HETATM 25 H3 A4K A 1 -0.527 25.288 30.642 1.00 20.00 H HETATM 26 H4 A4K A 1 -0.677 24.294 32.131 1.00 20.00 H HETATM 27 H5 A4K A 1 2.882 20.538 31.283 1.00 20.00 H HETATM 28 H6 A4K A 1 1.326 19.661 31.097 1.00 20.00 H HETATM 29 H7 A4K A 1 2.177 20.297 29.649 1.00 20.00 H HETATM 30 H8 A4K A 1 3.029 24.840 30.031 1.00 20.00 H HETATM 31 H9 A4K A 1 1.630 24.170 29.125 1.00 20.00 H HETATM 32 H10 A4K A 1 1.579 25.858 29.735 1.00 20.00 H HETATM 33 H11 A4K A 1 1.292 25.134 33.298 1.00 20.00 H HETATM 34 H12 A4K A 1 2.793 25.482 32.376 1.00 20.00 H HETATM 35 H13 A4K A 1 1.283 26.383 32.008 1.00 20.00 H HETATM 36 H14 A4K A 1 4.744 22.297 37.687 1.00 20.00 H HETATM 37 H15 A4K A 1 3.636 23.528 32.096 1.00 20.00 H CONECT 1 14 14 2 15 CONECT 2 16 16 23 CONECT 3 4 4 4 16 CONECT 4 20 CONECT 5 18 16 19 17 CONECT 6 7 7 11 20 CONECT 7 8 24 CONECT 8 22 22 9 CONECT 9 10 25 26 CONECT 10 12 20 13 CONECT 11 27 28 29 CONECT 12 30 31 32 CONECT 13 33 34 35 CONECT 15 36 CONECT 20 21 CONECT 21 37 END