4PZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N2 | sing | 1.35Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.37Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.43Å | Aromatic |
| N1 | C5 | doub | 1.31Å | 1.36Å | Aromatic |
| C4 | C19 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C3 | C4 | 104.5° | 107.7° |
| C3 | N2 | N1 | 107.1° | 107.9° |
| N2 | C3 | H3 | 127.8° | 126.1° |
| C3 | N2 | HN2 | 126.4° | 126.0° |
| C3 | C4 | C19 | 121.5° | 126.0° |
| C3 | C4 | C5 | 115.1° | 108.0° |
| C4 | C3 | H3 | 127.7° | 126.2° |
| N2 | N1 | C5 | 110.9° | 108.3° |
| N1 | N2 | HN2 | 126.5° | 126.1° |
| N1 | C5 | C4 | 102.5° | 108.2° |
| N1 | C5 | H5 | 128.8° | 125.9° |
| C19 | C4 | C5 | 123.4° | 126.0° |
| C4 | C19 | H19 | 109.5° | 109.5° |
| C4 | C19 | H19A | 109.5° | 109.4° |
| C4 | C19 | H19B | 109.4° | 109.5° |
| C4 | C5 | H5 | 128.8° | 125.9° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.4° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C3 | C4 | H3 | 180.0° | 179.7° |
| C3 | N2 | N1 | HN2 | 180.0° | 179.9° |
| C3 | N2 | N1 | C5 | 0.3° | 0.0° |
| N2 | C3 | C4 | C19 | 179.5° | 180.0° |
| N2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C4 | C3 | N2 | N1 | 0.1° | 0.0° |
| C3 | C4 | C5 | N1 | 0.3° | 0.0° |
| C3 | C4 | C19 | C5 | 179.5° | 180.0° |
| C4 | C3 | N2 | HN2 | 179.9° | 179.9° |
| C3 | C4 | C19 | H19 | 16.9° | 90.0° |
| C3 | C4 | C19 | H19A | 136.9° | 150.0° |
| C3 | C4 | C19 | H19B | 103.0° | 30.0° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| N2 | N1 | C5 | C4 | 0.3° | 0.0° |
| N1 | N2 | C3 | H3 | 179.8° | 179.7° |
| N2 | N1 | C5 | H5 | 179.7° | 180.0° |
| N1 | C5 | C4 | C19 | 179.3° | 180.0° |
| N1 | C5 | C4 | H5 | 180.0° | 180.0° |
| C5 | N1 | N2 | HN2 | 179.7° | 179.9° |
| C19 | C4 | C3 | H3 | 0.5° | 0.3° |
| C4 | C19 | H19 | H19A | 120.0° | 120.0° |
| C4 | C19 | H19 | H19B | 120.0° | 120.0° |
| C4 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | C4 | C5 | H5 | 0.7° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C5 | C4 | C19 | H19 | 163.6° | 90.0° |
| C5 | C4 | C19 | H19A | 43.6° | 30.0° |
| C5 | C4 | C19 | H19B | 76.5° | 150.0° |
| H3 | C3 | N2 | HN2 | 0.2° | 0.3° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
