HEADER Model coordinates for PDB-CCD PIA COMPND PIA AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 N1 PIA A 1 21.969 22.898 18.924 1.00 20.00 N HETATM 2 CA1 PIA A 1 21.953 24.130 19.714 1.00 20.00 C HETATM 3 CB1 PIA A 1 23.173 24.179 20.665 1.00 20.00 C HETATM 4 C1 PIA A 1 21.737 25.252 18.697 1.00 20.00 C HETATM 5 N2 PIA A 1 22.726 26.032 18.292 1.00 20.00 N HETATM 6 N3 PIA A 1 20.589 25.444 17.970 1.00 20.00 N HETATM 7 C2 PIA A 1 20.728 26.423 17.077 1.00 20.00 C HETATM 8 O2 PIA A 1 19.729 26.766 16.424 1.00 20.00 O HETATM 9 CA2 PIA A 1 22.060 26.665 17.330 1.00 20.00 C HETATM 10 CA3 PIA A 1 19.348 24.714 18.066 1.00 20.00 C HETATM 11 C3 PIA A 1 18.477 25.148 19.223 1.00 20.00 C HETATM 12 O3 PIA A 1 17.385 24.600 19.396 1.00 20.00 O HETATM 13 CB2 PIA A 1 22.452 27.795 16.380 1.00 20.00 C HETATM 14 CG2 PIA A 1 23.869 28.366 16.250 1.00 20.00 C HETATM 15 CD1 PIA A 1 24.864 27.781 16.963 1.00 20.00 C HETATM 16 CD2 PIA A 1 24.009 29.358 15.334 1.00 20.00 C HETATM 17 CE1 PIA A 1 26.151 28.247 16.722 1.00 20.00 C HETATM 18 CE2 PIA A 1 25.305 29.830 15.094 1.00 20.00 C HETATM 19 CZ PIA A 1 26.366 29.261 15.797 1.00 20.00 C HETATM 20 OH PIA A 1 27.642 29.703 15.591 1.00 20.00 O HETATM 21 OXT PIA A 1 19.029 25.989 20.101 1.00 20.00 O HETATM 22 H PIA A 1 21.176 22.881 18.315 1.00 20.00 H HETATM 23 H2 PIA A 1 22.807 22.862 18.380 1.00 20.00 H HETATM 24 HA1 PIA A 1 21.058 24.103 20.353 1.00 20.00 H HETATM 25 HB11 PIA A 1 23.145 25.110 21.250 1.00 20.00 H HETATM 26 HB12 PIA A 1 23.141 23.316 21.347 1.00 20.00 H HETATM 27 HB13 PIA A 1 24.100 24.145 20.074 1.00 20.00 H HETATM 28 HA31 PIA A 1 18.785 24.862 17.133 1.00 20.00 H HETATM 29 HA32 PIA A 1 19.582 23.646 18.188 1.00 20.00 H HETATM 30 HB2 PIA A 1 21.679 28.221 15.758 1.00 20.00 H HETATM 31 HD1 PIA A 1 24.667 26.996 17.678 1.00 20.00 H HETATM 32 HD2 PIA A 1 23.156 29.766 14.812 1.00 20.00 H HETATM 33 HE1 PIA A 1 26.987 27.819 17.256 1.00 20.00 H HETATM 34 HE2 PIA A 1 25.479 30.620 14.378 1.00 20.00 H HETATM 35 HH PIA A 1 27.637 30.392 14.937 1.00 20.00 H HETATM 36 HXT PIA A 1 18.455 26.086 20.851 1.00 20.00 H CONECT 1 2 22 23 CONECT 2 3 4 24 CONECT 3 25 26 27 CONECT 4 5 5 6 CONECT 5 9 CONECT 6 7 10 CONECT 7 8 8 9 CONECT 9 13 13 CONECT 10 11 28 29 CONECT 11 12 12 21 CONECT 13 14 30 CONECT 14 15 15 16 CONECT 15 17 31 CONECT 16 18 18 32 CONECT 17 19 19 33 CONECT 18 19 34 CONECT 19 20 CONECT 20 35 CONECT 21 36 END