HEADER Ideal coordinates for PDB-CCD VAL COMPND VAL AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 N VAL A 1 1.564 -0.642 0.454 1.00 20.00 N HETATM 2 CA VAL A 1 0.145 -0.698 0.079 1.00 20.00 C HETATM 3 C VAL A 1 -0.037 -0.093 -1.288 1.00 20.00 C HETATM 4 O VAL A 1 0.703 0.784 -1.664 1.00 20.00 O HETATM 5 CB VAL A 1 -0.682 0.086 1.098 1.00 20.00 C HETATM 6 CG1 VAL A 1 -0.497 -0.528 2.487 1.00 20.00 C HETATM 7 CG2 VAL A 1 -0.218 1.543 1.119 1.00 20.00 C HETATM 8 OXT VAL A 1 -1.022 -0.529 -2.089 1.00 20.00 O HETATM 9 H VAL A 1 1.825 0.332 0.455 1.00 20.00 H HETATM 10 H2 VAL A 1 1.624 -0.959 1.410 1.00 20.00 H HETATM 11 HA VAL A 1 -0.186 -1.736 0.064 1.00 20.00 H HETATM 12 HB VAL A 1 -1.736 0.044 0.820 1.00 20.00 H HETATM 13 HG11 VAL A 1 -1.087 0.031 3.214 1.00 20.00 H HETATM 14 HG12 VAL A 1 -0.828 -1.566 2.472 1.00 20.00 H HETATM 15 HG13 VAL A 1 0.555 -0.486 2.765 1.00 20.00 H HETATM 16 HG21 VAL A 1 0.835 1.585 1.397 1.00 20.00 H HETATM 17 HG22 VAL A 1 -0.350 1.981 0.130 1.00 20.00 H HETATM 18 HG23 VAL A 1 -0.808 2.103 1.845 1.00 20.00 H HETATM 19 HXT VAL A 1 -1.139 -0.140 -2.967 1.00 20.00 H CONECT 1 2 9 10 CONECT 2 3 5 11 CONECT 3 4 4 8 CONECT 5 6 7 12 CONECT 6 13 14 15 CONECT 7 16 17 18 CONECT 8 19 END