HEADER Ideal coordinates for PDB-CCD FRU COMPND FRU AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 FRU A 1 0.791 1.055 -1.776 1.00 20.00 C HETATM 2 C2 FRU A 1 0.144 -0.149 -1.090 1.00 20.00 C HETATM 3 C3 FRU A 1 -1.304 0.188 -0.689 1.00 20.00 C HETATM 4 C4 FRU A 1 -1.307 0.081 0.857 1.00 20.00 C HETATM 5 C5 FRU A 1 0.198 0.230 1.193 1.00 20.00 C HETATM 6 C6 FRU A 1 0.518 -0.427 2.536 1.00 20.00 C HETATM 7 O1 FRU A 1 2.138 0.735 -2.130 1.00 20.00 O HETATM 8 O2 FRU A 1 0.154 -1.273 -1.972 1.00 20.00 O HETATM 9 O3 FRU A 1 -2.215 -0.752 -1.261 1.00 20.00 O HETATM 10 O4 FRU A 1 -2.072 1.137 1.440 1.00 20.00 O HETATM 11 O5 FRU A 1 0.858 -0.467 0.115 1.00 20.00 O HETATM 12 O6 FRU A 1 1.919 -0.319 2.798 1.00 20.00 O HETATM 13 H11 FRU A 1 0.229 1.307 -2.675 1.00 20.00 H HETATM 14 H12 FRU A 1 0.787 1.906 -1.095 1.00 20.00 H HETATM 15 H3 FRU A 1 -1.560 1.202 -0.998 1.00 20.00 H HETATM 16 H4 FRU A 1 -1.680 -0.890 1.179 1.00 20.00 H HETATM 17 H5 FRU A 1 0.487 1.281 1.203 1.00 20.00 H HETATM 18 H61 FRU A 1 0.235 -1.479 2.503 1.00 20.00 H HETATM 19 H62 FRU A 1 -0.037 0.074 3.328 1.00 20.00 H HETATM 20 HO1 FRU A 1 2.508 1.518 -2.558 1.00 20.00 H HETATM 21 HO2 FRU A 1 1.080 -1.452 -2.186 1.00 20.00 H HETATM 22 HO3 FRU A 1 -3.101 -0.491 -0.977 1.00 20.00 H HETATM 23 HO4 FRU A 1 -2.034 1.013 2.399 1.00 20.00 H HETATM 24 HO6 FRU A 1 2.078 -0.745 3.651 1.00 20.00 H CONECT 1 2 7 13 14 CONECT 2 3 8 11 CONECT 3 4 9 15 CONECT 4 5 10 16 CONECT 5 6 11 17 CONECT 6 12 18 19 CONECT 7 20 CONECT 8 21 CONECT 9 22 CONECT 10 23 CONECT 12 24 END