A1AZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C11 | sing | 1.51Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | doub | 1.35Å | 1.38Å | Aromatic |
| C10 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N3 | doub | 1.31Å | 1.35Å | Aromatic |
| N4 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| N3 | C7 | sing | 1.34Å | 1.40Å | Aromatic |
| C9 | C13 | sing | 1.41Å | 1.44Å | Aromatic |
| C9 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.53Å | |
| C3 | N2 | sing | 1.39Å | 1.39Å | |
| F2 | C6 | sing | 1.40Å | 1.33Å | |
| F1 | C6 | sing | 1.40Å | 1.33Å | |
| C6 | F3 | sing | 1.40Å | 1.33Å | |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C8 | HC8 | sing | 1.08Å | 1.08Å | |
| C10 | HC10 | sing | 1.08Å | 1.08Å | |
| C13 | HC13 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C1 | HC1 | sing | 1.08Å | 1.08Å | |
| N2 | H2_1 | sing | 0.97Å | 1.00Å | |
| N2 | H2_2 | sing | 0.97Å | 1.00Å | |
| C12 | HC12 | sing | 1.08Å | 1.08Å | |
| C14 | HC14 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C11 | 111.6° | 109.5° |
| C15 | C14 | C16 | 112.7° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H151 | 109.4° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.5° |
| C15 | C14 | HC14 | 107.0° | 109.4° |
| C11 | C14 | C16 | 111.2° | 109.5° |
| C14 | C11 | C10 | 120.1° | 119.8° |
| C14 | C11 | C12 | 119.7° | 119.7° |
| C11 | C14 | HC14 | 107.1° | 109.5° |
| C16 | C14 | HC14 | 106.9° | 109.5° |
| C14 | C16 | H162 | 109.5° | 109.5° |
| C14 | C16 | H161 | 109.5° | 109.5° |
| C14 | C16 | H163 | 109.5° | 109.5° |
| C11 | C10 | N4 | 119.1° | 120.6° |
| C10 | C11 | C12 | 120.2° | 120.5° |
| C11 | C10 | HC10 | 120.5° | 119.7° |
| C10 | N4 | C8 | 129.3° | 133.0° |
| C10 | N4 | C9 | 123.4° | 120.0° |
| N4 | C10 | HC10 | 120.4° | 119.8° |
| C11 | C12 | C13 | 121.0° | 119.8° |
| C11 | C12 | HC12 | 119.5° | 120.1° |
| N4 | C8 | N3 | 111.7° | 109.6° |
| C8 | N4 | C9 | 107.4° | 107.0° |
| N4 | C8 | HC8 | 124.2° | 125.2° |
| C8 | N3 | C7 | 105.3° | 109.8° |
| N3 | C8 | HC8 | 124.1° | 125.2° |
| N4 | C9 | C13 | 117.1° | 120.0° |
| N4 | C9 | C7 | 105.4° | 106.3° |
| C12 | C13 | C9 | 119.2° | 119.2° |
| C12 | C13 | HC13 | 120.4° | 120.4° |
| C13 | C12 | HC12 | 119.5° | 120.1° |
| N3 | C7 | C9 | 110.2° | 107.2° |
| N3 | C7 | C5 | 122.4° | 126.4° |
| C13 | C9 | C7 | 137.5° | 133.7° |
| C9 | C13 | HC13 | 120.4° | 120.4° |
| C9 | C7 | C5 | 127.4° | 126.4° |
| C7 | C5 | C4 | 122.5° | 120.5° |
| C7 | C5 | C1 | 119.9° | 120.5° |
| C4 | C5 | C1 | 117.6° | 119.1° |
| C5 | C4 | N1 | 123.8° | 120.6° |
| C5 | C4 | HC4 | 118.1° | 119.7° |
| C5 | C1 | C2 | 119.2° | 118.4° |
| C5 | C1 | HC1 | 120.4° | 120.8° |
| C4 | N1 | C3 | 117.8° | 121.8° |
| N1 | C4 | HC4 | 118.1° | 119.7° |
| C1 | C2 | C3 | 118.6° | 119.2° |
| C1 | C2 | C6 | 120.1° | 120.4° |
| C2 | C1 | HC1 | 120.4° | 120.8° |
| N1 | C3 | C2 | 123.1° | 120.9° |
| N1 | C3 | N2 | 116.2° | 119.5° |
| C3 | C2 | C6 | 121.3° | 120.4° |
| C2 | C3 | N2 | 120.8° | 119.5° |
| C2 | C6 | F2 | 112.1° | 109.5° |
| C2 | C6 | F1 | 111.0° | 109.4° |
| C2 | C6 | F3 | 108.7° | 109.5° |
| C3 | N2 | H2_1 | 109.5° | 120.0° |
| C3 | N2 | H2_2 | 109.5° | 120.0° |
| F2 | C6 | F1 | 108.7° | 109.4° |
| F2 | C6 | F3 | 108.4° | 109.5° |
| F1 | C6 | F3 | 107.7° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.4° | 109.4° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H2_1 | N2 | H2_2 | 109.4° | 120.0° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.4° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C11 | C16 | 126.7° | 120.0° |
| C15 | C14 | C11 | HC14 | 116.7° | 119.9° |
| C15 | C14 | C16 | HC14 | 117.2° | 120.0° |
| C15 | C14 | C11 | C10 | 62.3° | 120.0° |
| C15 | C14 | C11 | C12 | 118.0° | 60.1° |
| C14 | C15 | H152 | H151 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 120.0° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C15 | C14 | C16 | H162 | 180.0° | 60.0° |
| C15 | C14 | C16 | H161 | 60.0° | 180.0° |
| C15 | C14 | C16 | H163 | 60.0° | 60.0° |
| C11 | C14 | C16 | HC14 | 116.6° | 120.0° |
| C14 | C11 | C10 | C12 | 179.7° | 180.0° |
| C14 | C11 | C10 | N4 | 179.6° | 180.0° |
| C14 | C11 | C12 | C13 | 179.8° | 180.0° |
| C14 | C11 | C10 | HC10 | 0.4° | 0.0° |
| C11 | C14 | C15 | H152 | 180.0° | 60.0° |
| C11 | C14 | C15 | H151 | 60.0° | 60.0° |
| C11 | C14 | C15 | H153 | 60.0° | 180.0° |
| C14 | C11 | C12 | HC12 | 0.2° | 0.0° |
| C11 | C14 | C16 | H162 | 53.9° | 180.0° |
| C11 | C14 | C16 | H161 | 173.9° | 60.0° |
| C11 | C14 | C16 | H163 | 66.1° | 60.0° |
| C16 | C14 | C11 | C10 | 64.4° | 120.0° |
| C16 | C14 | C11 | C12 | 115.3° | 60.0° |
| C16 | C14 | C15 | H152 | 54.0° | 60.0° |
| C16 | C14 | C15 | H151 | 174.0° | 180.0° |
| C16 | C14 | C15 | H153 | 65.9° | 60.0° |
| C14 | C16 | H162 | H161 | 120.0° | 120.0° |
| C14 | C16 | H162 | H163 | 120.0° | 120.1° |
| C14 | C16 | H161 | H163 | 120.0° | 120.0° |
| C11 | C10 | N4 | HC10 | 180.0° | 180.0° |
| C11 | C10 | N4 | C8 | 180.0° | 180.0° |
| C11 | C10 | N4 | C9 | 0.0° | 0.1° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | HC12 | 179.5° | 180.0° |
| C10 | C11 | C14 | HC14 | 179.0° | 0.0° |
| N4 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | N4 | C8 | C9 | 180.0° | 179.9° |
| C10 | N4 | C8 | N3 | 179.9° | 179.9° |
| C10 | N4 | C9 | C13 | 1.0° | 0.1° |
| C10 | N4 | C9 | C7 | 179.3° | 180.0° |
| C10 | N4 | C8 | HC8 | 0.1° | 0.0° |
| C11 | C12 | C13 | HC12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | HC10 | 179.3° | 180.0° |
| C11 | C12 | C13 | HC13 | 179.5° | 180.0° |
| C12 | C11 | C14 | HC14 | 1.3° | 180.0° |
| N4 | C8 | N3 | HC8 | 180.0° | 179.9° |
| N4 | C8 | N3 | C7 | 0.5° | 0.0° |
| C8 | N4 | C9 | C13 | 179.0° | 180.0° |
| C8 | N4 | C9 | C7 | 0.7° | 0.0° |
| C8 | N4 | C10 | HC10 | 0.1° | 0.0° |
| N3 | C8 | N4 | C9 | 0.1° | 0.0° |
| C8 | N3 | C7 | C9 | 1.0° | 0.1° |
| C8 | N3 | C7 | C5 | 179.3° | 180.0° |
| N4 | C9 | C13 | C12 | 1.2° | 0.0° |
| N4 | C9 | C7 | N3 | 1.0° | 0.1° |
| N4 | C9 | C13 | C7 | 179.6° | 179.9° |
| N4 | C9 | C7 | C5 | 179.3° | 180.0° |
| C9 | N4 | C8 | HC8 | 179.9° | 179.9° |
| C9 | N4 | C10 | HC10 | 179.9° | 179.9° |
| N4 | C9 | C13 | HC13 | 178.8° | 180.0° |
| C12 | C13 | C9 | HC13 | 180.0° | 180.0° |
| C12 | C13 | C9 | C7 | 179.3° | 180.0° |
| N3 | C7 | C9 | C13 | 178.6° | 180.0° |
| N3 | C7 | C9 | C5 | 179.7° | 179.9° |
| N3 | C7 | C5 | C4 | 168.6° | 145.0° |
| N3 | C7 | C5 | C1 | 11.0° | 35.1° |
| C7 | N3 | C8 | HC8 | 179.5° | 180.0° |
| C13 | C9 | C7 | C5 | 1.1° | 0.1° |
| C9 | C13 | C12 | HC12 | 179.5° | 180.0° |
| C9 | C7 | C5 | C4 | 11.8° | 34.9° |
| C9 | C7 | C5 | C1 | 168.6° | 145.0° |
| C7 | C9 | C13 | HC13 | 0.8° | 0.0° |
| C7 | C5 | C4 | C1 | 179.6° | 180.0° |
| C7 | C5 | C4 | N1 | 179.9° | 180.0° |
| C7 | C5 | C1 | C2 | 179.3° | 180.0° |
| C7 | C5 | C4 | HC4 | 0.1° | 0.0° |
| C7 | C5 | C1 | HC1 | 0.7° | 0.0° |
| C5 | C4 | N1 | HC4 | 180.0° | 180.0° |
| C4 | C5 | C1 | C2 | 1.0° | 0.1° |
| C5 | C4 | N1 | C3 | 0.5° | 0.0° |
| C4 | C5 | C1 | HC1 | 179.0° | 180.0° |
| C1 | C5 | C4 | N1 | 0.3° | 0.0° |
| C5 | C1 | C2 | HC1 | 180.0° | 180.0° |
| C5 | C1 | C2 | C3 | 1.1° | 0.1° |
| C5 | C1 | C2 | C6 | 178.3° | 179.9° |
| C1 | C5 | C4 | HC4 | 179.7° | 180.0° |
| C4 | N1 | C3 | C2 | 0.5° | 0.0° |
| C4 | N1 | C3 | N2 | 179.4° | 180.0° |
| C1 | C2 | C3 | N1 | 0.3° | 0.0° |
| C1 | C2 | C3 | C6 | 179.4° | 179.9° |
| C1 | C2 | C3 | N2 | 179.8° | 180.0° |
| C1 | C2 | C6 | F2 | 130.0° | 120.0° |
| C1 | C2 | C6 | F1 | 8.2° | 120.1° |
| C1 | C2 | C6 | F3 | 110.1° | 0.1° |
| N1 | C3 | C2 | N2 | 179.9° | 180.0° |
| N1 | C3 | C2 | C6 | 179.1° | 179.9° |
| C3 | N1 | C4 | HC4 | 179.5° | 180.0° |
| N1 | C3 | N2 | H2_1 | 0.0° | 0.0° |
| N1 | C3 | N2 | H2_2 | 120.0° | 179.9° |
| C3 | C2 | C6 | F2 | 50.6° | 59.9° |
| C3 | C2 | C6 | F1 | 172.5° | 60.1° |
| C3 | C2 | C6 | F3 | 69.3° | 180.0° |
| C3 | C2 | C1 | HC1 | 179.0° | 180.0° |
| C2 | C3 | N2 | H2_1 | 179.9° | 180.0° |
| C2 | C3 | N2 | H2_2 | 59.9° | 0.1° |
| C6 | C2 | C3 | N2 | 0.8° | 0.1° |
| C2 | C6 | F2 | F1 | 123.2° | 120.0° |
| C2 | C6 | F2 | F3 | 120.0° | 120.1° |
| C2 | C6 | F1 | F3 | 118.9° | 120.0° |
| C6 | C2 | C1 | HC1 | 1.7° | 0.1° |
| C3 | N2 | H2_1 | H2_2 | 120.0° | 179.9° |
| F2 | C6 | F1 | F3 | 117.3° | 120.0° |
| HC13 | C13 | C12 | HC12 | 0.5° | 0.0° |
| H152 | C15 | H151 | H153 | 120.0° | 120.0° |
| H152 | C15 | C14 | HC14 | 63.2° | 180.0° |
| H151 | C15 | C14 | HC14 | 56.8° | 60.0° |
| H153 | C15 | C14 | HC14 | 176.9° | 60.0° |
| HC14 | C14 | C16 | H162 | 62.8° | 60.0° |
| HC14 | C14 | C16 | H161 | 57.3° | 60.1° |
| HC14 | C14 | C16 | H163 | 177.2° | 180.0° |
| H162 | C16 | H161 | H163 | 120.0° | 120.0° |
