HEADER Ideal coordinates for PDB-CCD A4H COMPND A4H AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 A4H A 1 -3.176 -1.759 -0.113 1.00 20.00 C HETATM 2 C2 A4H A 1 -3.515 -0.464 0.354 1.00 20.00 C HETATM 3 C3 A4H A 1 -2.632 0.553 0.227 1.00 20.00 C HETATM 4 C5 A4H A 1 -0.213 0.412 0.257 1.00 20.00 C HETATM 5 C6 A4H A 1 -2.971 1.918 0.771 1.00 20.00 C HETATM 6 C13 A4H A 1 1.395 2.595 -0.634 1.00 20.00 C HETATM 7 C15 A4H A 1 1.813 -0.769 1.862 1.00 20.00 C HETATM 8 C24 A4H A 1 -1.916 3.016 0.630 1.00 20.00 C HETATM 9 O11 A4H A 1 -2.136 -1.934 -0.719 1.00 20.00 O HETATM 10 O12 A4H A 1 -4.005 -2.798 0.119 1.00 20.00 O HETATM 11 C23 A4H A 1 -3.175 3.050 -0.238 1.00 20.00 C HETATM 12 C4 A4H A 1 -1.349 0.329 -0.438 1.00 20.00 C HETATM 13 C7 A4H A 1 1.096 0.041 -0.390 1.00 20.00 C HETATM 14 O7 A4H A 1 0.854 -0.363 -1.740 1.00 20.00 O HETATM 15 C12 A4H A 1 1.722 -1.124 0.376 1.00 20.00 C HETATM 16 C14 A4H A 1 0.859 -2.375 0.200 1.00 20.00 C HETATM 17 C8 A4H A 1 2.001 1.237 -0.390 1.00 20.00 C HETATM 18 C9 A4H A 1 3.310 1.157 -0.185 1.00 20.00 C HETATM 19 C10 A4H A 1 3.950 -0.139 0.067 1.00 20.00 C HETATM 20 O10 A4H A 1 5.097 -0.207 0.456 1.00 20.00 O HETATM 21 C11 A4H A 1 3.130 -1.387 -0.176 1.00 20.00 C HETATM 22 H1 A4H A 1 -4.478 -0.289 0.812 1.00 20.00 H HETATM 23 H2 A4H A 1 -0.232 0.744 1.285 1.00 20.00 H HETATM 24 H3 A4H A 1 -3.590 1.926 1.668 1.00 20.00 H HETATM 25 H4 A4H A 1 1.098 3.036 0.317 1.00 20.00 H HETATM 26 H5 A4H A 1 2.129 3.238 -1.120 1.00 20.00 H HETATM 27 H6 A4H A 1 0.521 2.492 -1.276 1.00 20.00 H HETATM 28 H7 A4H A 1 0.813 -0.575 2.250 1.00 20.00 H HETATM 29 H8 A4H A 1 2.259 -1.600 2.407 1.00 20.00 H HETATM 30 H9 A4H A 1 2.430 0.120 1.986 1.00 20.00 H HETATM 31 H10 A4H A 1 -1.840 3.747 1.435 1.00 20.00 H HETATM 32 H11 A4H A 1 -0.976 2.753 0.144 1.00 20.00 H HETATM 33 H12 A4H A 1 -3.690 -3.640 -0.238 1.00 20.00 H HETATM 34 H13 A4H A 1 -3.064 2.808 -1.295 1.00 20.00 H HETATM 35 H14 A4H A 1 -3.928 3.803 -0.005 1.00 20.00 H HETATM 36 H15 A4H A 1 -1.320 0.097 -1.493 1.00 20.00 H HETATM 37 H16 A4H A 1 0.444 0.322 -2.287 1.00 20.00 H HETATM 38 H17 A4H A 1 0.798 -2.628 -0.858 1.00 20.00 H HETATM 39 H18 A4H A 1 1.306 -3.205 0.747 1.00 20.00 H HETATM 40 H19 A4H A 1 -0.142 -2.183 0.586 1.00 20.00 H HETATM 41 H20 A4H A 1 3.910 2.055 -0.204 1.00 20.00 H HETATM 42 H21 A4H A 1 3.579 -2.233 0.345 1.00 20.00 H HETATM 43 H22 A4H A 1 3.078 -1.594 -1.245 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