HEADER Ideal coordinates for PDB-CCD PG4 COMPND PG4 AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 O1 PG4 A 1 0.795 1.141 4.996 1.00 20.00 O HETATM 2 C1 PG4 A 1 1.594 0.122 4.393 1.00 20.00 C HETATM 3 C2 PG4 A 1 0.685 -0.893 3.697 1.00 20.00 C HETATM 4 O2 PG4 A 1 -0.083 -0.233 2.690 1.00 20.00 O HETATM 5 C3 PG4 A 1 -0.907 -1.228 2.081 1.00 20.00 C HETATM 6 C4 PG4 A 1 -1.762 -0.584 0.987 1.00 20.00 C HETATM 7 O3 PG4 A 1 -0.910 -0.000 -0.000 1.00 20.00 O HETATM 8 C5 PG4 A 1 -1.762 0.581 -0.988 1.00 20.00 C HETATM 9 C6 PG4 A 1 -0.909 1.227 -2.081 1.00 20.00 C HETATM 10 O4 PG4 A 1 -0.083 0.233 -2.690 1.00 20.00 O HETATM 11 C7 PG4 A 1 0.685 0.894 -3.697 1.00 20.00 C HETATM 12 C8 PG4 A 1 1.595 -0.119 -4.392 1.00 20.00 C HETATM 13 O5 PG4 A 1 0.798 -1.140 -4.996 1.00 20.00 O HETATM 14 HO1 PG4 A 1 1.405 1.759 5.422 1.00 20.00 H HETATM 15 H11 PG4 A 1 2.264 0.571 3.660 1.00 20.00 H HETATM 16 H12 PG4 A 1 2.181 -0.381 5.161 1.00 20.00 H HETATM 17 H21 PG4 A 1 1.295 -1.671 3.237 1.00 20.00 H HETATM 18 H22 PG4 A 1 0.015 -1.343 4.430 1.00 20.00 H HETATM 19 H31 PG4 A 1 -0.277 -2.002 1.641 1.00 20.00 H HETATM 20 H32 PG4 A 1 -1.557 -1.674 2.834 1.00 20.00 H HETATM 21 H41 PG4 A 1 -2.390 -1.344 0.522 1.00 20.00 H HETATM 22 H42 PG4 A 1 -2.391 0.189 1.427 1.00 20.00 H HETATM 23 H51 PG4 A 1 -2.391 -0.192 -1.427 1.00 20.00 H HETATM 24 H52 PG4 A 1 -2.392 1.340 -0.523 1.00 20.00 H HETATM 25 H61 PG4 A 1 -1.559 1.671 -2.835 1.00 20.00 H HETATM 26 H62 PG4 A 1 -0.280 2.001 -1.641 1.00 20.00 H HETATM 27 H71 PG4 A 1 0.014 1.343 -4.430 1.00 20.00 H HETATM 28 H72 PG4 A 1 1.293 1.673 -3.237 1.00 20.00 H HETATM 29 H81 PG4 A 1 2.182 0.385 -5.160 1.00 20.00 H HETATM 30 H82 PG4 A 1 2.266 -0.567 -3.659 1.00 20.00 H HETATM 31 HO5 PG4 A 1 1.409 -1.757 -5.422 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