HEADER Model coordinates for PDB-CCD PG4 COMPND PG4 AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 O1 PG4 A 1 -3.611 59.483 74.535 1.00 20.00 O HETATM 2 C1 PG4 A 1 -2.199 59.582 74.863 1.00 20.00 C HETATM 3 C2 PG4 A 1 -1.251 59.440 73.622 1.00 20.00 C HETATM 4 O2 PG4 A 1 -1.150 60.707 72.851 1.00 20.00 O HETATM 5 C3 PG4 A 1 0.169 61.300 72.751 1.00 20.00 C HETATM 6 C4 PG4 A 1 0.461 61.591 71.285 1.00 20.00 C HETATM 7 O3 PG4 A 1 1.876 61.293 71.020 1.00 20.00 O HETATM 8 C5 PG4 A 1 2.481 61.832 69.808 1.00 20.00 C HETATM 9 C6 PG4 A 1 2.438 63.354 69.867 1.00 20.00 C HETATM 10 O4 PG4 A 1 3.336 63.904 68.914 1.00 20.00 O HETATM 11 C7 PG4 A 1 4.515 64.500 69.463 1.00 20.00 C HETATM 12 C8 PG4 A 1 5.381 65.094 68.347 1.00 20.00 C HETATM 13 O5 PG4 A 1 4.888 66.375 67.969 1.00 20.00 O HETATM 14 HO1 PG4 A 1 -4.185 59.569 75.286 1.00 20.00 H HETATM 15 H11 PG4 A 1 -1.988 60.529 75.412 1.00 20.00 H HETATM 16 H12 PG4 A 1 -1.926 58.843 75.652 1.00 20.00 H HETATM 17 H21 PG4 A 1 -0.243 59.067 73.922 1.00 20.00 H HETATM 18 H22 PG4 A 1 -1.563 58.592 72.968 1.00 20.00 H HETATM 19 H31 PG4 A 1 0.281 62.202 73.396 1.00 20.00 H HETATM 20 H32 PG4 A 1 0.957 60.671 73.227 1.00 20.00 H HETATM 21 H41 PG4 A 1 -0.226 61.046 70.596 1.00 20.00 H HETATM 22 H42 PG4 A 1 0.181 62.629 70.991 1.00 20.00 H HETATM 23 H51 PG4 A 1 3.511 61.442 69.638 1.00 20.00 H HETATM 24 H52 PG4 A 1 2.008 61.429 68.882 1.00 20.00 H HETATM 25 H61 PG4 A 1 1.402 63.747 69.740 1.00 20.00 H HETATM 26 H62 PG4 A 1 2.634 63.737 70.895 1.00 20.00 H HETATM 27 H71 PG4 A 1 4.272 65.254 70.247 1.00 20.00 H HETATM 28 H72 PG4 A 1 5.087 63.782 70.095 1.00 20.00 H HETATM 29 H81 PG4 A 1 6.458 65.130 68.631 1.00 20.00 H HETATM 30 H82 PG4 A 1 5.463 64.405 67.473 1.00 20.00 H HETATM 31 HO5 PG4 A 1 5.424 66.743 67.277 1.00 20.00 H CONECT 1 2 14 CONECT 2 3 15 16 CONECT 3 4 17 18 CONECT 4 5 CONECT 5 6 19 20 CONECT 6 7 21 22 CONECT 7 8 CONECT 8 9 23 24 CONECT 9 10 25 26 CONECT 10 11 CONECT 11 12 27 28 CONECT 12 13 29 30 CONECT 13 31 END