AZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C18 | sing | 1.53Å | 1.57Å | |
| S8 | C26 | sing | 1.76Å | 1.77Å | Aromatic |
| O10 | C21 | doub | 1.22Å | 1.23Å | |
| O11 | N14 | sing | 1.42Å | 1.51Å | |
| O11 | C23 | sing | 1.43Å | 1.50Å | |
| N12 | C18 | sing | 1.47Å | 1.43Å | |
| N12 | S17 | sing | 1.66Å | 1.70Å | |
| N15 | C26 | doub | 1.30Å | 1.36Å | Aromatic |
| S17 | O33 | sing | 1.52Å | 1.46Å | |
| C19 | N13 | sing | 1.46Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.60Å | |
| C20 | O9 | doub | 1.21Å | 1.28Å | |
| C21 | N13 | sing | 1.35Å | 1.36Å | |
| C21 | C22 | sing | 1.48Å | 1.51Å | |
| C22 | N14 | doub | 1.30Å | 1.32Å | |
| C22 | C24 | sing | 1.48Å | 1.49Å | |
| C23 | C29 | sing | 1.51Å | 1.56Å | |
| C23 | C28 | sing | 1.53Å | 1.51Å | |
| C24 | N15 | sing | 1.33Å | 1.44Å | Aromatic |
| C25 | S8 | sing | 1.76Å | 1.74Å | Aromatic |
| C25 | C24 | doub | 1.35Å | 1.40Å | Aromatic |
| C26 | N16 | sing | 1.38Å | 1.36Å | |
| C27 | C23 | sing | 1.53Å | 1.51Å | |
| C29 | O31 | sing | 1.34Å | 1.30Å | |
| O30 | C29 | doub | 1.21Å | 1.23Å | |
| O32 | S17 | doub | 1.42Å | 1.49Å | |
| O34 | S17 | doub | 1.42Å | 1.43Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| N16 | HN1A | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C18 | N12 | 106.8° | 109.5° |
| C7 | C18 | C19 | 99.5° | 109.5° |
| C18 | C7 | H7 | 109.5° | 109.5° |
| C18 | C7 | H7A | 109.5° | 109.5° |
| C18 | C7 | H7B | 109.5° | 109.5° |
| C7 | C18 | H18 | 112.0° | 109.5° |
| S8 | C26 | N15 | 116.8° | 109.5° |
| C26 | S8 | C25 | 89.2° | 90.1° |
| S8 | C26 | N16 | 116.4° | 125.2° |
| O10 | C21 | N13 | 120.6° | 120.0° |
| O10 | C21 | C22 | 125.9° | 120.0° |
| N14 | O11 | C23 | 119.8° | 114.0° |
| O11 | N14 | C22 | 114.4° | 120.0° |
| O11 | C23 | C29 | 113.7° | 109.5° |
| O11 | C23 | C28 | 111.6° | 109.5° |
| O11 | C23 | C27 | 110.3° | 109.4° |
| C18 | N12 | S17 | 126.6° | 120.0° |
| N12 | C18 | C19 | 110.5° | 109.4° |
| C18 | N12 | HN12 | 105.0° | 120.0° |
| N12 | C18 | H18 | 114.2° | 109.4° |
| N12 | S17 | O33 | 109.8° | 107.2° |
| N12 | S17 | O32 | 102.6° | 106.4° |
| N12 | S17 | O34 | 110.6° | 106.3° |
| S17 | N12 | HN12 | 105.1° | 120.0° |
| C26 | N15 | C24 | 106.9° | 116.9° |
| N15 | C26 | N16 | 126.8° | 125.3° |
| O33 | S17 | O32 | 106.7° | 106.5° |
| O33 | S17 | O34 | 115.0° | 106.4° |
| S17 | O33 | HO33 | 109.5° | 113.9° |
| N13 | C19 | C18 | 106.4° | 109.5° |
| N13 | C19 | C20 | 100.3° | 109.4° |
| C19 | N13 | C21 | 123.9° | 120.0° |
| C19 | N13 | HN13 | 118.0° | 120.0° |
| N13 | C19 | H19 | 114.6° | 109.5° |
| C18 | C19 | C20 | 108.2° | 109.4° |
| C19 | C18 | H18 | 112.6° | 109.5° |
| C18 | C19 | H19 | 113.7° | 109.5° |
| C19 | C20 | O9 | 124.0° | 120.0° |
| C20 | C19 | H19 | 112.6° | 109.5° |
| C19 | C20 | H20 | 118.0° | 120.0° |
| O9 | C20 | H20 | 118.0° | 120.0° |
| N13 | C21 | C22 | 113.4° | 120.0° |
| C21 | N13 | HN13 | 118.0° | 120.0° |
| C21 | C22 | N14 | 119.2° | 120.0° |
| C21 | C22 | C24 | 123.8° | 120.0° |
| N14 | C22 | C24 | 117.0° | 120.0° |
| C22 | C24 | N15 | 122.3° | 122.4° |
| C22 | C24 | C25 | 121.0° | 122.4° |
| C29 | C23 | C28 | 117.5° | 109.5° |
| C29 | C23 | C27 | 99.1° | 109.5° |
| C23 | C29 | O31 | 124.6° | 120.0° |
| C23 | C29 | O30 | 114.6° | 120.0° |
| C28 | C23 | C27 | 103.1° | 109.5° |
| C23 | C28 | H28 | 109.5° | 109.5° |
| C23 | C28 | H28A | 109.4° | 109.5° |
| C23 | C28 | H28B | 109.5° | 109.5° |
| N15 | C24 | C25 | 116.6° | 115.2° |
| S8 | C25 | C24 | 110.4° | 108.3° |
| S8 | C25 | H25 | 124.8° | 125.9° |
| C24 | C25 | H25 | 124.8° | 125.9° |
| C26 | N16 | HN16 | 109.5° | 120.0° |
| C26 | N16 | HN1A | 109.5° | 120.1° |
| C23 | C27 | H27 | 109.5° | 109.5° |
| C23 | C27 | H27A | 109.5° | 109.4° |
| C23 | C27 | H27B | 109.4° | 109.5° |
| O31 | C29 | O30 | 120.8° | 120.0° |
| C29 | O31 | HO31 | 109.5° | 117.0° |
| O32 | S17 | O34 | 111.4° | 123.2° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.4° | 109.4° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| HN16 | N16 | HN1A | 109.5° | 120.0° |
| H27 | C27 | H27A | 109.5° | 109.4° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C18 | N12 | C19 | 107.3° | 120.0° |
| C7 | C18 | N12 | H18 | 124.5° | 120.0° |
| C7 | C18 | N12 | S17 | 108.6° | 95.0° |
| C7 | C18 | C19 | N13 | 87.1° | 60.0° |
| C7 | C18 | C19 | H18 | 118.8° | 120.0° |
| C7 | C18 | C19 | C20 | 165.8° | 180.0° |
| C18 | C7 | H7 | H7A | 120.0° | 120.0° |
| C18 | C7 | H7 | H7B | 120.0° | 120.0° |
| C18 | C7 | H7A | H7B | 120.0° | 120.0° |
| C7 | C18 | N12 | HN12 | 129.1° | 85.0° |
| C7 | C18 | C19 | H19 | 40.0° | 60.0° |
| S8 | C26 | N15 | N16 | 178.9° | 180.0° |
| S8 | C26 | N15 | C24 | 0.7° | 0.0° |
| C26 | S8 | C25 | C24 | 1.3° | 0.0° |
| S8 | C26 | N16 | HN16 | 0.0° | 0.0° |
| S8 | C26 | N16 | HN1A | 120.0° | 179.9° |
| C26 | S8 | C25 | H25 | 178.7° | 179.9° |
| O10 | C21 | N13 | C19 | 1.7° | 5.2° |
| O10 | C21 | N13 | C22 | 178.3° | 179.9° |
| O10 | C21 | C22 | N14 | 71.4° | 5.3° |
| O10 | C21 | C22 | C24 | 109.4° | 174.6° |
| O10 | C21 | N13 | HN13 | 178.4° | 174.7° |
| O11 | N14 | C22 | C21 | 22.2° | 5.4° |
| O11 | N14 | C22 | C24 | 157.1° | 174.7° |
| N14 | O11 | C23 | C29 | 53.1° | 180.0° |
| N14 | O11 | C23 | C28 | 82.5° | 59.9° |
| N14 | O11 | C23 | C27 | 163.5° | 60.0° |
| C23 | O11 | N14 | C22 | 157.5° | 180.0° |
| O11 | C23 | C29 | C28 | 132.9° | 120.0° |
| O11 | C23 | C29 | C27 | 117.1° | 119.9° |
| O11 | C23 | C28 | C27 | 118.4° | 119.9° |
| O11 | C23 | C29 | O31 | 158.0° | 180.0° |
| O11 | C23 | C29 | O30 | 24.5° | 0.0° |
| O11 | C23 | C27 | H27 | 180.0° | 60.0° |
| O11 | C23 | C27 | H27A | 60.0° | 180.0° |
| O11 | C23 | C27 | H27B | 60.0° | 60.0° |
| O11 | C23 | C28 | H28 | 180.0° | 60.1° |
| O11 | C23 | C28 | H28A | 60.0° | 180.0° |
| O11 | C23 | C28 | H28B | 60.0° | 60.0° |
| C18 | N12 | S17 | HN12 | 122.3° | 180.0° |
| C18 | N12 | S17 | O33 | 38.9° | 65.1° |
| N12 | C18 | C19 | N13 | 160.9° | 180.0° |
| N12 | C18 | C19 | H18 | 129.1° | 120.0° |
| N12 | C18 | C19 | C20 | 53.8° | 60.0° |
| C18 | N12 | S17 | O32 | 74.3° | 48.5° |
| C18 | N12 | S17 | O34 | 166.9° | 178.6° |
| N12 | C18 | C7 | H7 | 180.0° | 180.0° |
| N12 | C18 | C7 | H7A | 60.0° | 60.0° |
| N12 | C18 | C7 | H7B | 60.0° | 60.0° |
| N12 | C18 | C19 | H19 | 72.1° | 60.0° |
| N12 | S17 | O33 | O32 | 110.5° | 113.5° |
| N12 | S17 | O33 | O34 | 125.4° | 113.5° |
| S17 | N12 | C18 | C19 | 144.1° | 145.0° |
| N12 | S17 | O32 | O34 | 118.3° | 122.9° |
| S17 | N12 | C18 | H18 | 15.9° | 25.0° |
| N12 | S17 | O33 | HO33 | 110.5° | 180.0° |
| C26 | N15 | C24 | C22 | 179.6° | 180.0° |
| N15 | C26 | S8 | C25 | 1.2° | 0.0° |
| C26 | N15 | C24 | C25 | 0.3° | 0.0° |
| N15 | C26 | N16 | HN16 | 178.9° | 179.9° |
| N15 | C26 | N16 | HN1A | 58.9° | 0.0° |
| O33 | S17 | O32 | O34 | 126.3° | 123.1° |
| O33 | S17 | N12 | HN12 | 83.4° | 115.0° |
| N13 | C19 | C18 | C20 | 107.1° | 119.9° |
| N13 | C19 | C18 | H19 | 127.1° | 120.1° |
| N13 | C19 | C20 | H19 | 122.2° | 120.1° |
| N13 | C19 | C20 | O9 | 56.0° | 0.0° |
| C19 | N13 | C21 | HN13 | 180.0° | 179.9° |
| C19 | N13 | C21 | C22 | 179.9° | 174.7° |
| N13 | C19 | C18 | H18 | 31.8° | 60.0° |
| N13 | C19 | C20 | H20 | 124.0° | 180.0° |
| C18 | C19 | C20 | H19 | 126.5° | 120.0° |
| C18 | C19 | C20 | O9 | 55.2° | 120.0° |
| C18 | C19 | N13 | C21 | 110.3° | 155.0° |
| C19 | C18 | C7 | H7 | 65.0° | 60.0° |
| C19 | C18 | C7 | H7A | 175.0° | 179.9° |
| C19 | C18 | C7 | H7B | 55.0° | 60.0° |
| C19 | C18 | N12 | HN12 | 21.8° | 35.0° |
| C18 | C19 | N13 | HN13 | 69.7° | 24.9° |
| C18 | C19 | C20 | H20 | 124.8° | 60.0° |
| C19 | C20 | O9 | H20 | 180.0° | 180.0° |
| C20 | C19 | N13 | C21 | 137.1° | 85.1° |
| C20 | C19 | N13 | HN13 | 42.9° | 95.0° |
| C20 | C19 | C18 | H18 | 75.3° | 59.9° |
| O9 | C20 | C19 | H19 | 178.3° | 120.1° |
| N13 | C21 | C22 | N14 | 106.8° | 174.6° |
| N13 | C21 | C22 | C24 | 72.5° | 5.5° |
| C21 | N13 | C19 | H19 | 16.3° | 35.0° |
| C21 | C22 | N14 | C24 | 179.3° | 179.9° |
| C21 | C22 | C24 | N15 | 179.3° | 5.4° |
| C21 | C22 | C24 | C25 | 0.7° | 174.6° |
| C22 | C21 | N13 | HN13 | 0.1° | 5.4° |
| N14 | C22 | C24 | N15 | 0.0° | 174.7° |
| N14 | C22 | C24 | C25 | 180.0° | 5.3° |
| C22 | C24 | N15 | C25 | 180.0° | 180.0° |
| C22 | C24 | C25 | S8 | 178.8° | 180.0° |
| C22 | C24 | C25 | H25 | 1.2° | 0.1° |
| C29 | C23 | C28 | C27 | 107.8° | 120.1° |
| C23 | C29 | O31 | O30 | 177.3° | 180.0° |
| C29 | C23 | C27 | H27 | 60.4° | 180.0° |
| C29 | C23 | C27 | H27A | 179.6° | 60.0° |
| C29 | C23 | C27 | H27B | 59.6° | 59.9° |
| C29 | C23 | C28 | H28 | 46.2° | 60.0° |
| C29 | C23 | C28 | H28A | 73.9° | 60.0° |
| C29 | C23 | C28 | H28B | 166.2° | 180.0° |
| C23 | C29 | O31 | HO31 | 177.3° | 180.0° |
| C28 | C23 | C29 | O31 | 25.1° | 60.0° |
| C28 | C23 | C29 | O30 | 157.4° | 120.0° |
| C28 | C23 | C27 | H27 | 60.7° | 59.9° |
| C28 | C23 | C27 | H27A | 59.3° | 60.1° |
| C28 | C23 | C27 | H27B | 179.2° | 180.0° |
| C23 | C28 | H28 | H28A | 120.0° | 120.0° |
| C23 | C28 | H28 | H28B | 120.0° | 120.1° |
| C23 | C28 | H28A | H28B | 120.0° | 120.1° |
| N15 | C24 | C25 | S8 | 1.2° | 0.0° |
| C24 | N15 | C26 | N16 | 179.6° | 180.0° |
| N15 | C24 | C25 | H25 | 178.8° | 179.9° |
| S8 | C25 | C24 | H25 | 180.0° | 179.9° |
| C25 | S8 | C26 | N16 | 179.8° | 180.0° |
| C26 | N16 | HN16 | HN1A | 120.0° | 179.9° |
| C27 | C23 | C29 | O31 | 84.9° | 60.1° |
| C27 | C23 | C29 | O30 | 92.5° | 119.9° |
| C23 | C27 | H27 | H27A | 120.0° | 119.9° |
| C23 | C27 | H27 | H27B | 120.0° | 120.0° |
| C23 | C27 | H27A | H27B | 119.9° | 120.0° |
| C27 | C23 | C28 | H28 | 61.6° | 180.0° |
| C27 | C23 | C28 | H28A | 178.4° | 60.1° |
| C27 | C23 | C28 | H28B | 58.4° | 59.9° |
| O30 | C29 | O31 | HO31 | 0.0° | 0.1° |
| O32 | S17 | N12 | HN12 | 163.4° | 131.4° |
| O32 | S17 | O33 | HO33 | 0.0° | 66.5° |
| O34 | S17 | N12 | HN12 | 44.6° | 1.5° |
| O34 | S17 | O33 | HO33 | 124.1° | 66.5° |
| H7 | C7 | H7A | H7B | 119.9° | 120.0° |
| H7 | C7 | C18 | H18 | 54.2° | 60.1° |
| H7A | C7 | C18 | H18 | 65.8° | 60.0° |
| H7B | C7 | C18 | H18 | 174.2° | 180.0° |
| HN12 | N12 | C18 | H18 | 106.4° | 155.0° |
| HN13 | N13 | C19 | H19 | 163.7° | 144.9° |
| H18 | C18 | C19 | H19 | 158.8° | 179.9° |
| H19 | C19 | C20 | H20 | 1.7° | 60.0° |
| H27 | C27 | H27A | H27B | 120.1° | 120.1° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
