A1IZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | O | sing | 1.35Å | 1.37Å | Aromatic |
| C10 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| O | C11 | sing | 1.34Å | 1.40Å | Aromatic |
| C6 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.50Å | |
| C12 | N | sing | 1.36Å | 1.39Å | Aromatic |
| F | C | sing | 1.35Å | 1.35Å | |
| C5 | C | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N | doub | 1.30Å | 1.28Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C13 | sing | 1.48Å | 1.47Å | |
| N1 | C13 | doub | 1.31Å | 1.32Å | Aromatic |
| N1 | C14 | sing | 1.34Å | 1.37Å | Aromatic |
| C2 | F1 | sing | 1.35Å | 1.35Å | |
| C13 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C14 | C17 | doub | 1.34Å | 1.36Å | Aromatic |
| C15 | N2 | sing | 1.47Å | 1.46Å | |
| N3 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C18 | sing | 1.39Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.48Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.49Å | |
| N2 | C22 | sing | 1.35Å | 1.34Å | |
| N2 | C16 | sing | 1.47Å | 1.45Å | |
| N5 | C18 | doub | 1.33Å | 1.33Å | Aromatic |
| N5 | C21 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | O1 | doub | 1.21Å | 1.22Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.6° | 120.6° |
| C8 | C9 | C10 | 118.0° | 120.2° |
| C9 | C8 | H3 | 119.7° | 119.7° |
| C8 | C9 | H4 | 121.0° | 119.9° |
| C8 | C7 | C6 | 121.2° | 120.3° |
| C8 | C7 | H2 | 119.4° | 119.9° |
| C7 | C8 | H3 | 119.7° | 119.7° |
| C9 | C10 | O | 126.0° | 133.9° |
| C9 | C10 | C12 | 122.8° | 119.9° |
| C10 | C9 | H4 | 121.0° | 119.9° |
| C7 | C6 | C12 | 118.4° | 119.5° |
| C7 | C6 | C5 | 119.6° | 120.3° |
| C6 | C7 | H2 | 119.4° | 119.8° |
| O | C10 | C12 | 107.7° | 106.2° |
| C10 | O | C11 | 103.6° | 108.1° |
| C10 | C12 | C6 | 118.8° | 119.6° |
| C10 | C12 | N | 108.9° | 106.6° |
| O | C11 | N | 114.4° | 110.2° |
| O | C11 | H5 | 122.8° | 124.9° |
| C12 | C6 | C5 | 121.9° | 120.3° |
| C6 | C12 | N | 129.7° | 133.8° |
| C6 | C5 | C | 122.2° | 120.0° |
| C6 | C5 | C4 | 119.7° | 120.1° |
| C12 | N | C11 | 105.3° | 108.8° |
| F | C | C5 | 118.5° | 120.0° |
| F | C | C1 | 118.5° | 119.9° |
| C | C5 | C4 | 117.8° | 119.9° |
| C5 | C | C1 | 123.0° | 120.1° |
| C5 | C4 | C3 | 121.2° | 119.8° |
| C5 | C4 | H18 | 119.4° | 120.1° |
| N | C11 | H5 | 122.8° | 124.8° |
| C | C1 | C2 | 117.4° | 120.2° |
| C | C1 | H1 | 121.3° | 119.9° |
| C4 | C3 | C2 | 117.2° | 119.8° |
| C4 | C3 | C13 | 120.8° | 120.1° |
| C3 | C4 | H18 | 119.4° | 120.1° |
| C1 | C2 | C3 | 123.5° | 120.1° |
| C1 | C2 | F1 | 117.8° | 119.9° |
| C2 | C1 | H1 | 121.4° | 119.9° |
| C2 | C3 | C13 | 121.9° | 120.1° |
| C3 | C2 | F1 | 118.7° | 119.9° |
| C3 | C13 | N1 | 122.0° | 125.8° |
| C3 | C13 | N3 | 127.0° | 125.9° |
| C13 | N1 | C14 | 106.2° | 109.4° |
| N1 | C13 | N3 | 110.8° | 108.3° |
| N1 | C14 | C15 | 139.3° | 142.4° |
| N1 | C14 | C17 | 110.6° | 108.3° |
| C13 | N3 | C17 | 106.7° | 106.8° |
| C13 | N3 | C18 | 129.2° | 126.6° |
| C15 | C14 | C17 | 110.1° | 109.2° |
| C14 | C15 | N2 | 102.7° | 107.6° |
| C14 | C15 | H6 | 111.2° | 109.9° |
| C14 | C15 | H7 | 111.2° | 109.9° |
| C14 | C17 | N3 | 105.6° | 107.2° |
| C14 | C17 | C16 | 111.2° | 109.6° |
| C15 | N2 | C22 | 126.1° | 126.9° |
| C15 | N2 | C16 | 112.3° | 106.2° |
| N2 | C15 | H6 | 111.1° | 109.8° |
| N2 | C15 | H7 | 111.1° | 109.9° |
| C17 | N3 | C18 | 123.7° | 126.6° |
| N3 | C17 | C16 | 143.2° | 143.2° |
| N3 | C18 | N5 | 116.6° | 120.5° |
| N3 | C18 | C19 | 119.9° | 120.5° |
| C24 | C23 | C22 | 111.6° | 109.5° |
| C23 | C24 | H13 | 109.5° | 109.5° |
| C23 | C24 | H14 | 109.5° | 109.5° |
| C23 | C24 | H15 | 109.5° | 109.4° |
| C24 | C23 | H16 | 108.9° | 109.5° |
| C24 | C23 | H17 | 109.0° | 109.4° |
| C23 | C22 | N2 | 117.0° | 120.0° |
| C23 | C22 | O1 | 121.2° | 120.0° |
| C22 | C23 | H16 | 108.9° | 109.5° |
| C22 | C23 | H17 | 108.9° | 109.5° |
| C17 | C16 | N2 | 102.4° | 107.4° |
| C17 | C16 | H8 | 111.2° | 109.9° |
| C17 | C16 | H9 | 111.2° | 109.9° |
| C22 | N2 | C16 | 121.6° | 127.0° |
| N2 | C22 | O1 | 121.7° | 120.0° |
| N2 | C16 | H8 | 111.2° | 109.9° |
| N2 | C16 | H9 | 111.2° | 109.8° |
| C18 | N5 | C21 | 115.0° | 120.7° |
| N5 | C18 | C19 | 123.1° | 119.0° |
| N5 | C21 | N4 | 127.9° | 121.8° |
| N5 | C21 | H12 | 116.1° | 119.1° |
| C18 | C19 | C20 | 115.5° | 118.3° |
| C18 | C19 | H10 | 122.3° | 120.9° |
| C21 | N4 | C20 | 114.9° | 120.9° |
| N4 | C21 | H12 | 116.1° | 119.0° |
| C19 | C20 | N4 | 123.6° | 119.2° |
| C20 | C19 | H10 | 122.3° | 120.8° |
| C19 | C20 | H11 | 118.2° | 120.4° |
| N4 | C20 | H11 | 118.2° | 120.4° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H13 | C24 | H15 | 109.4° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.4° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.9° |
| H8 | C16 | H9 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H3 | 180.0° | 179.9° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.0° | 0.1° |
| C8 | C9 | C10 | O | 160.0° | 180.0° |
| C8 | C9 | C10 | C12 | 3.6° | 0.0° |
| C9 | C8 | C7 | H2 | 179.0° | 179.7° |
| C7 | C8 | C9 | C10 | 1.4° | 0.1° |
| C8 | C7 | C6 | H2 | 180.0° | 179.6° |
| C8 | C7 | C6 | C12 | 2.5° | 0.0° |
| C8 | C7 | C6 | C5 | 179.7° | 179.7° |
| C7 | C8 | C9 | H4 | 178.6° | 179.9° |
| C9 | C10 | O | C12 | 159.4° | 180.0° |
| C9 | C10 | O | C11 | 158.6° | 180.0° |
| C9 | C10 | C12 | C6 | 5.1° | 0.0° |
| C9 | C10 | C12 | N | 158.3° | 180.0° |
| C10 | C9 | C8 | H3 | 178.6° | 180.0° |
| C7 | C6 | C12 | C10 | 4.4° | 0.0° |
| C7 | C6 | C12 | C5 | 177.7° | 179.7° |
| C7 | C6 | C12 | N | 155.1° | 180.0° |
| C7 | C6 | C5 | C | 99.7° | 115.0° |
| C7 | C6 | C5 | C4 | 86.8° | 64.5° |
| C6 | C7 | C8 | H3 | 179.0° | 180.0° |
| O | C10 | C12 | C6 | 165.3° | 180.0° |
| O | C10 | C12 | N | 1.8° | 0.0° |
| C10 | O | C11 | N | 0.6° | 0.0° |
| O | C10 | C9 | H4 | 20.0° | 0.0° |
| C10 | O | C11 | H5 | 179.4° | 180.0° |
| C12 | C10 | O | C11 | 0.8° | 0.0° |
| C10 | C12 | C6 | N | 159.5° | 180.0° |
| C10 | C12 | C6 | C5 | 177.9° | 179.7° |
| C10 | C12 | N | C11 | 2.1° | 0.0° |
| C12 | C10 | C9 | H4 | 176.4° | 180.0° |
| O | C11 | N | C12 | 1.7° | 0.0° |
| O | C11 | N | H5 | 180.0° | 180.0° |
| C12 | C6 | C5 | C | 78.0° | 64.7° |
| C12 | C6 | C5 | C4 | 95.5° | 115.7° |
| C6 | C12 | N | C11 | 163.2° | 180.0° |
| C12 | C6 | C7 | H2 | 177.5° | 179.7° |
| C5 | C6 | C12 | N | 22.6° | 0.2° |
| C6 | C5 | C | F | 4.0° | 0.5° |
| C6 | C5 | C | C4 | 173.6° | 179.6° |
| C6 | C5 | C | C1 | 174.0° | 180.0° |
| C6 | C5 | C4 | C3 | 172.5° | 179.8° |
| C5 | C6 | C7 | H2 | 0.3° | 0.0° |
| C6 | C5 | C4 | H18 | 7.5° | 0.2° |
| C12 | N | C11 | H5 | 178.3° | 180.0° |
| F | C | C5 | C1 | 178.0° | 179.5° |
| F | C | C5 | C4 | 177.6° | 179.9° |
| F | C | C1 | C2 | 177.4° | 180.0° |
| F | C | C1 | H1 | 2.6° | 0.2° |
| C | C5 | C4 | C3 | 1.3° | 0.2° |
| C5 | C | C1 | C2 | 0.6° | 0.5° |
| C5 | C | C1 | H1 | 179.4° | 179.7° |
| C | C5 | C4 | H18 | 178.7° | 179.8° |
| C4 | C5 | C | C1 | 0.4° | 0.5° |
| C5 | C4 | C3 | H18 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.7° | 0.0° |
| C5 | C4 | C3 | C13 | 178.7° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C | C1 | C2 | C3 | 0.9° | 0.3° |
| C | C1 | C2 | F1 | 178.0° | 179.8° |
| C4 | C3 | C2 | C1 | 2.5° | 0.0° |
| C4 | C3 | C2 | C13 | 176.0° | 180.0° |
| C4 | C3 | C13 | N1 | 49.7° | 132.3° |
| C4 | C3 | C2 | F1 | 176.3° | 180.0° |
| C4 | C3 | C13 | N3 | 136.4° | 47.4° |
| C1 | C2 | C3 | F1 | 178.8° | 179.9° |
| C1 | C2 | C3 | C13 | 178.5° | 180.0° |
| C2 | C3 | C13 | N1 | 126.1° | 47.7° |
| C2 | C3 | C13 | N3 | 47.8° | 132.6° |
| C3 | C2 | C1 | H1 | 179.1° | 180.0° |
| C2 | C3 | C4 | H18 | 177.3° | 180.0° |
| C3 | C13 | N1 | N3 | 174.8° | 179.7° |
| C3 | C13 | N1 | C14 | 178.6° | 180.0° |
| C13 | C3 | C2 | F1 | 0.3° | 0.0° |
| C3 | C13 | N3 | C17 | 178.6° | 180.0° |
| C3 | C13 | N3 | C18 | 8.3° | 0.0° |
| C13 | C3 | C4 | H18 | 1.3° | 0.0° |
| C13 | N1 | C14 | C15 | 177.7° | 179.9° |
| C13 | N1 | C14 | C17 | 2.0° | 0.1° |
| N1 | C13 | N3 | C17 | 4.2° | 0.3° |
| N1 | C13 | N3 | C18 | 177.3° | 179.8° |
| C14 | N1 | C13 | N3 | 3.8° | 0.3° |
| N1 | C14 | C15 | C17 | 179.7° | 180.0° |
| N1 | C14 | C15 | N2 | 173.1° | 180.0° |
| N1 | C14 | C17 | N3 | 0.5° | 0.0° |
| N1 | C14 | C17 | C16 | 179.9° | 180.0° |
| N1 | C14 | C15 | H6 | 68.1° | 60.5° |
| N1 | C14 | C15 | H7 | 54.2° | 60.5° |
| F1 | C2 | C1 | H1 | 2.1° | 0.0° |
| C13 | N3 | C17 | C14 | 2.7° | 0.2° |
| C13 | N3 | C17 | C18 | 173.6° | 179.9° |
| C13 | N3 | C17 | C16 | 178.3° | 179.9° |
| C13 | N3 | C18 | N5 | 31.6° | 47.1° |
| C13 | N3 | C18 | C19 | 155.5° | 132.9° |
| C14 | C15 | N2 | H6 | 118.9° | 119.5° |
| C14 | C15 | N2 | H7 | 118.9° | 119.6° |
| C15 | C14 | C17 | N3 | 179.7° | 180.0° |
| C15 | C14 | C17 | C16 | 0.3° | 0.0° |
| C14 | C15 | N2 | C22 | 168.0° | 180.0° |
| C14 | C15 | N2 | C16 | 11.9° | 0.0° |
| C14 | C15 | H6 | H7 | 123.2° | 121.0° |
| C17 | C14 | C15 | N2 | 7.2° | 0.0° |
| C14 | C17 | N3 | C16 | 178.9° | 179.9° |
| C14 | C17 | N3 | C18 | 176.3° | 179.9° |
| C14 | C17 | C16 | N2 | 6.7° | 0.0° |
| C17 | C14 | C15 | H6 | 111.7° | 119.5° |
| C17 | C14 | C15 | H7 | 126.1° | 119.5° |
| C14 | C17 | C16 | H8 | 125.6° | 119.5° |
| C14 | C17 | C16 | H9 | 112.1° | 119.5° |
| C15 | N2 | C22 | C23 | 11.8° | 0.0° |
| C15 | N2 | C16 | C17 | 11.7° | 0.0° |
| C15 | N2 | C22 | C16 | 179.9° | 180.0° |
| C15 | N2 | C22 | O1 | 172.4° | 180.0° |
| N2 | C15 | H6 | H7 | 123.1° | 120.9° |
| C15 | N2 | C16 | H8 | 130.5° | 119.5° |
| C15 | N2 | C16 | H9 | 107.2° | 119.5° |
| N3 | C17 | C16 | N2 | 172.2° | 180.0° |
| C17 | N3 | C18 | N5 | 140.5° | 132.8° |
| C17 | N3 | C18 | C19 | 32.5° | 47.2° |
| N3 | C17 | C16 | H8 | 53.3° | 60.6° |
| N3 | C17 | C16 | H9 | 69.0° | 60.5° |
| C18 | N3 | C17 | C16 | 4.7° | 0.1° |
| N3 | C18 | N5 | C19 | 172.7° | 180.0° |
| N3 | C18 | N5 | C21 | 173.9° | 180.0° |
| N3 | C18 | C19 | C20 | 174.6° | 180.0° |
| N3 | C18 | C19 | H10 | 5.4° | 0.3° |
| C24 | C23 | C22 | H16 | 120.3° | 120.0° |
| C24 | C23 | C22 | H17 | 120.4° | 120.0° |
| C24 | C23 | C22 | N2 | 139.3° | 180.0° |
| C24 | C23 | C22 | O1 | 36.5° | 0.0° |
| C23 | C24 | H13 | H14 | 120.0° | 120.0° |
| C23 | C24 | H13 | H15 | 120.0° | 120.0° |
| C23 | C24 | H14 | H15 | 120.0° | 119.9° |
| C24 | C23 | H16 | H17 | 119.0° | 119.9° |
| C23 | C22 | N2 | O1 | 175.8° | 180.0° |
| C23 | C22 | N2 | C16 | 168.3° | 180.0° |
| C22 | C23 | C24 | H13 | 180.0° | 180.0° |
| C22 | C23 | C24 | H14 | 60.0° | 60.0° |
| C22 | C23 | C24 | H15 | 60.0° | 60.0° |
| C22 | C23 | H16 | H17 | 119.0° | 120.0° |
| C17 | C16 | N2 | C22 | 168.2° | 180.0° |
| C17 | C16 | N2 | H8 | 118.9° | 119.5° |
| C17 | C16 | N2 | H9 | 118.9° | 119.5° |
| C17 | C16 | H8 | H9 | 123.3° | 121.1° |
| N2 | C22 | C23 | H16 | 100.4° | 59.9° |
| N2 | C22 | C23 | H17 | 19.0° | 60.0° |
| C22 | N2 | C15 | H6 | 73.1° | 60.5° |
| C22 | N2 | C15 | H7 | 49.1° | 60.4° |
| C22 | N2 | C16 | H8 | 49.4° | 60.5° |
| C22 | N2 | C16 | H9 | 72.9° | 60.5° |
| C16 | N2 | C22 | O1 | 7.5° | 0.0° |
| C16 | N2 | C15 | H6 | 107.0° | 119.5° |
| C16 | N2 | C15 | H7 | 130.8° | 119.5° |
| N2 | C16 | H8 | H9 | 123.3° | 121.0° |
| C18 | N5 | C21 | N4 | 0.7° | 0.3° |
| N5 | C18 | C19 | C20 | 2.1° | 0.0° |
| N5 | C18 | C19 | H10 | 177.9° | 179.7° |
| C18 | N5 | C21 | H12 | 179.3° | 179.8° |
| C21 | N5 | C18 | C19 | 1.2° | 0.0° |
| N5 | C21 | N4 | H12 | 180.0° | 179.5° |
| N5 | C21 | N4 | C20 | 1.4° | 0.6° |
| O1 | C22 | C23 | H16 | 83.8° | 120.0° |
| O1 | C22 | C23 | H17 | 156.9° | 120.0° |
| C18 | C19 | C20 | H10 | 180.0° | 179.7° |
| C18 | C19 | C20 | N4 | 1.4° | 0.3° |
| C18 | C19 | C20 | H11 | 178.6° | 179.7° |
| C21 | N4 | C20 | C19 | 0.3° | 0.6° |
| C21 | N4 | C20 | H11 | 179.7° | 179.5° |
| C19 | C20 | N4 | H11 | 180.0° | 180.0° |
| N4 | C20 | C19 | H10 | 178.6° | 180.0° |
| C20 | N4 | C21 | H12 | 178.6° | 180.0° |
| H2 | C7 | C8 | H3 | 1.0° | 0.4° |
| H3 | C8 | C9 | H4 | 1.4° | 0.0° |
| H10 | C19 | C20 | H11 | 1.4° | 0.0° |
| H13 | C24 | H14 | H15 | 120.0° | 120.0° |
| H13 | C24 | C23 | H16 | 59.7° | 60.0° |
| H13 | C24 | C23 | H17 | 59.7° | 59.9° |
| H14 | C24 | C23 | H16 | 60.3° | 180.0° |
| H14 | C24 | C23 | H17 | 179.7° | 60.0° |
| H15 | C24 | C23 | H16 | 179.7° | 60.1° |
| H15 | C24 | C23 | H17 | 60.4° | 180.0° |
