APZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| N10 | N7 | sing | 1.40Å | 1.40Å | Aromatic |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| C5 | O11 | doub | 1.22Å | 1.23Å | |
| C5 | C2 | sing | 1.48Å | 1.47Å | Aromatic |
| C2 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C12 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C9 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N13 | sing | 1.39Å | 1.36Å | |
| C4 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C1 | C3 | sing | 1.48Å | 1.47Å | Aromatic |
| C3 | O8 | doub | 1.21Å | 1.23Å | |
| C3 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| N7 | H7 | sing | 0.97Å | 1.02Å | |
| N13 | H131 | sing | 0.97Å | 1.02Å | |
| N13 | H132 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N10 | N7 | 122.0° | 122.0° |
| C5 | N10 | H10 | 116.8° | 119.0° |
| N10 | C5 | O11 | 120.0° | 120.2° |
| N10 | C5 | C2 | 119.9° | 119.6° |
| N7 | N10 | H10 | 121.3° | 119.0° |
| N10 | N7 | C3 | 121.9° | 122.0° |
| N10 | N7 | H7 | 121.3° | 119.0° |
| O11 | C5 | C2 | 120.1° | 120.2° |
| C5 | C2 | C6 | 122.2° | 121.5° |
| C5 | C2 | C1 | 117.8° | 118.5° |
| C6 | C2 | C1 | 120.0° | 120.1° |
| C2 | C6 | C12 | 120.0° | 119.7° |
| C2 | C6 | H6 | 120.3° | 120.2° |
| C2 | C1 | C4 | 119.8° | 119.9° |
| C2 | C1 | C3 | 119.0° | 118.6° |
| C12 | C6 | H6 | 119.8° | 120.1° |
| C6 | C12 | C9 | 120.0° | 120.5° |
| C6 | C12 | H12 | 119.7° | 119.8° |
| C9 | C12 | H12 | 120.3° | 119.7° |
| C12 | C9 | C4 | 120.2° | 120.3° |
| C12 | C9 | N13 | 120.0° | 119.8° |
| C4 | C9 | N13 | 119.9° | 119.9° |
| C9 | C4 | C1 | 120.1° | 119.6° |
| C9 | C4 | H4 | 119.9° | 120.2° |
| C9 | N13 | H131 | 120.0° | 120.0° |
| C9 | N13 | H132 | 108.5° | 119.9° |
| C1 | C4 | H4 | 120.0° | 120.2° |
| C4 | C1 | C3 | 121.2° | 121.5° |
| C1 | C3 | O8 | 120.2° | 120.3° |
| C1 | C3 | N7 | 119.4° | 119.4° |
| O8 | C3 | N7 | 120.4° | 120.3° |
| C3 | N7 | H7 | 116.8° | 119.0° |
| H131 | N13 | H132 | 108.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N10 | N7 | H10 | 180.0° | 180.0° |
| N10 | C5 | O11 | C2 | 179.4° | 180.0° |
| N10 | C5 | C2 | C6 | 179.6° | 180.0° |
| N10 | C5 | C2 | C1 | 0.9° | 0.0° |
| C5 | N10 | N7 | C3 | 0.1° | 0.0° |
| C5 | N10 | N7 | H7 | 179.9° | 179.9° |
| N7 | N10 | C5 | O11 | 179.8° | 180.0° |
| N7 | N10 | C5 | C2 | 0.4° | 0.0° |
| N10 | N7 | C3 | C1 | 0.3° | 0.0° |
| N10 | N7 | C3 | O8 | 179.9° | 180.0° |
| N10 | N7 | C3 | H7 | 180.0° | 179.9° |
| H10 | N10 | C5 | O11 | 0.1° | 0.0° |
| H10 | N10 | C5 | C2 | 179.5° | 180.0° |
| H10 | N10 | N7 | C3 | 179.8° | 180.0° |
| H10 | N10 | N7 | H7 | 0.2° | 0.1° |
| O11 | C5 | C2 | C6 | 1.0° | 0.0° |
| O11 | C5 | C2 | C1 | 179.7° | 180.0° |
| C5 | C2 | C6 | C1 | 178.7° | 180.0° |
| C5 | C2 | C6 | C12 | 179.5° | 180.0° |
| C5 | C2 | C6 | H6 | 0.5° | 0.0° |
| C5 | C2 | C1 | C4 | 179.7° | 179.8° |
| C5 | C2 | C1 | C3 | 1.0° | 0.0° |
| C2 | C6 | C12 | H6 | 180.0° | 180.0° |
| C2 | C6 | C12 | C9 | 0.3° | 0.0° |
| C2 | C6 | C12 | H12 | 179.7° | 180.0° |
| C6 | C2 | C1 | C4 | 1.0° | 0.2° |
| C6 | C2 | C1 | C3 | 179.8° | 180.0° |
| C1 | C2 | C6 | C12 | 0.8° | 0.0° |
| C1 | C2 | C6 | H6 | 179.2° | 180.0° |
| C2 | C1 | C4 | C9 | 0.7° | 0.5° |
| C2 | C1 | C4 | C3 | 179.3° | 179.8° |
| C2 | C1 | C4 | H4 | 179.3° | 179.8° |
| C2 | C1 | C3 | O8 | 179.6° | 180.0° |
| C2 | C1 | C3 | N7 | 0.7° | 0.0° |
| C6 | C12 | C9 | H12 | 180.0° | 180.0° |
| C6 | C12 | C9 | C4 | 0.0° | 0.2° |
| C6 | C12 | C9 | N13 | 179.9° | 180.0° |
| H6 | C6 | C12 | C9 | 179.7° | 180.0° |
| H6 | C6 | C12 | H12 | 0.3° | 0.0° |
| C12 | C9 | C4 | N13 | 179.9° | 179.8° |
| C12 | C9 | C4 | C1 | 0.2° | 0.5° |
| C12 | C9 | C4 | H4 | 179.8° | 179.8° |
| C12 | C9 | N13 | H131 | 180.0° | 0.0° |
| C12 | C9 | N13 | H132 | 54.7° | 179.7° |
| H12 | C12 | C9 | C4 | 180.0° | 179.8° |
| H12 | C12 | C9 | N13 | 0.1° | 0.0° |
| C9 | C4 | C1 | H4 | 180.0° | 179.8° |
| C9 | C4 | C1 | C3 | 179.9° | 179.8° |
| C4 | C9 | N13 | H131 | 0.1° | 179.8° |
| C4 | C9 | N13 | H132 | 125.2° | 0.5° |
| N13 | C9 | C4 | C1 | 179.7° | 179.7° |
| N13 | C9 | C4 | H4 | 0.3° | 0.1° |
| C9 | N13 | H131 | H132 | 125.3° | 179.7° |
| C4 | C1 | C3 | O8 | 0.3° | 0.2° |
| C4 | C1 | C3 | N7 | 180.0° | 179.8° |
| H4 | C4 | C1 | C3 | 0.1° | 0.0° |
| C1 | C3 | O8 | N7 | 179.7° | 180.0° |
| C1 | C3 | N7 | H7 | 179.7° | 179.9° |
| O8 | C3 | N7 | H7 | 0.1° | 0.1° |
