HEADER Model coordinates for PDB-CCD A4H COMPND A4H AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 A4H A 1 3.371 22.280 37.049 1.00 20.00 C HETATM 2 C2 A4H A 1 1.895 22.313 37.016 1.00 20.00 C HETATM 3 C3 A4H A 1 1.058 22.425 35.957 1.00 20.00 C HETATM 4 C5 A4H A 1 0.843 22.667 33.427 1.00 20.00 C HETATM 5 C6 A4H A 1 -0.427 22.440 36.222 1.00 20.00 C HETATM 6 C13 A4H A 1 1.594 20.258 31.336 1.00 20.00 C HETATM 7 C15 A4H A 1 1.199 25.387 32.234 1.00 20.00 C HETATM 8 C24 A4H A 1 -1.352 21.421 35.669 1.00 20.00 C HETATM 9 O11 A4H A 1 4.169 22.347 36.137 1.00 20.00 O HETATM 10 O12 A4H A 1 3.781 22.156 38.321 1.00 20.00 O HETATM 11 C23 A4H A 1 -1.029 21.432 37.129 1.00 20.00 C HETATM 12 C4 A4H A 1 1.545 22.547 34.575 1.00 20.00 C HETATM 13 C7 A4H A 1 1.384 22.793 31.997 1.00 20.00 C HETATM 14 O7 A4H A 1 2.815 22.756 32.011 1.00 20.00 O HETATM 15 C12 A4H A 1 0.949 24.167 31.317 1.00 20.00 C HETATM 16 C14 A4H A 1 1.768 24.483 30.032 1.00 20.00 C HETATM 17 C8 A4H A 1 0.870 21.574 31.208 1.00 20.00 C HETATM 18 C9 A4H A 1 -0.217 21.636 30.411 1.00 20.00 C HETATM 19 C10 A4H A 1 -0.989 22.892 30.228 1.00 20.00 C HETATM 20 O10 A4H A 1 -1.964 22.885 29.483 1.00 20.00 O HETATM 21 C11 A4H A 1 -0.554 24.149 30.958 1.00 20.00 C HETATM 22 H1 A4H A 1 1.411 22.237 37.979 1.00 20.00 H HETATM 23 H2 A4H A 1 -0.232 22.675 33.529 1.00 20.00 H HETATM 24 H3 A4H A 1 -0.858 23.448 36.310 1.00 20.00 H HETATM 25 H4 A4H A 1 2.450 20.375 32.016 1.00 20.00 H HETATM 26 H5 A4H A 1 0.907 19.499 31.739 1.00 20.00 H HETATM 27 H6 A4H A 1 1.953 19.939 30.346 1.00 20.00 H HETATM 28 H7 A4H A 1 0.653 25.253 33.180 1.00 20.00 H HETATM 29 H8 A4H A 1 2.276 25.475 32.441 1.00 20.00 H HETATM 30 H9 A4H A 1 0.846 26.300 31.733 1.00 20.00 H HETATM 31 H10 A4H A 1 -2.354 21.716 35.324 1.00 20.00 H HETATM 32 H11 A4H A 1 -0.965 20.617 35.025 1.00 20.00 H HETATM 33 H12 A4H A 1 4.730 22.135 38.348 1.00 20.00 H HETATM 34 H13 A4H A 1 -1.793 21.735 37.860 1.00 20.00 H HETATM 35 H14 A4H A 1 -0.404 20.637 37.561 1.00 20.00 H HETATM 36 H15 A4H A 1 2.619 22.540 34.461 1.00 20.00 H HETATM 37 H16 A4H A 1 3.147 23.503 32.495 1.00 20.00 H HETATM 38 H17 A4H A 1 2.841 24.499 30.275 1.00 20.00 H HETATM 39 H18 A4H A 1 1.575 23.709 29.275 1.00 20.00 H HETATM 40 H19 A4H A 1 1.467 25.465 29.638 1.00 20.00 H HETATM 41 H20 A4H A 1 -0.536 20.745 29.890 1.00 20.00 H HETATM 42 H21 A4H A 1 -0.769 25.016 30.316 1.00 20.00 H HETATM 43 H22 A4H A 1 -1.135 24.229 31.889 1.00 20.00 H CONECT 1 9 9 2 10 CONECT 2 3 3 22 CONECT 3 12 5 CONECT 4 13 12 12 23 CONECT 5 8 11 24 CONECT 6 17 25 26 27 CONECT 7 15 28 29 30 CONECT 8 11 31 32 CONECT 10 33 CONECT 11 34 35 CONECT 12 36 CONECT 13 17 15 14 CONECT 14 37 CONECT 15 16 21 CONECT 16 38 39 40 CONECT 17 18 18 CONECT 18 19 41 CONECT 19 20 20 21 CONECT 21 42 43 END