A1IZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.35Å | 1.36Å | Aromatic |
| C25 | N26 | sing | 1.34Å | 1.38Å | Aromatic |
| C24 | N23 | sing | 1.37Å | 1.38Å | Aromatic |
| N26 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| N23 | C20 | sing | 1.37Å | 1.38Å | Aromatic |
| N23 | C22 | sing | 1.36Å | 1.39Å | Aromatic |
| C20 | C7 | sing | 1.46Å | 1.43Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.35Å | Aromatic |
| C21 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C2 | sing | 1.48Å | 1.48Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.51Å | 1.50Å | |
| C1 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C9 | sing | 1.47Å | 1.48Å | |
| C10 | C9 | doub | 1.37Å | 1.37Å | |
| C10 | C11 | sing | 1.41Å | 1.44Å | |
| C6 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | N14 | sing | 1.38Å | 1.40Å | |
| O18 | C11 | doub | 1.22Å | 1.23Å | |
| C11 | N12 | sing | 1.35Å | 1.37Å | |
| N14 | C16 | sing | 1.46Å | 1.46Å | |
| N14 | C13 | sing | 1.35Å | 1.39Å | |
| N12 | C13 | sing | 1.35Å | 1.37Å | |
| C13 | O17 | doub | 1.22Å | 1.22Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| N12 | H5 | sing | 0.97Å | 1.00Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | N26 | 111.2° | 108.6° |
| C25 | C24 | N23 | 105.9° | 107.2° |
| C25 | C24 | H11 | 127.0° | 126.4° |
| C24 | C25 | H17 | 124.4° | 125.7° |
| C25 | N26 | C20 | 105.2° | 109.1° |
| N26 | C25 | H17 | 124.4° | 125.7° |
| C24 | N23 | C20 | 106.6° | 106.9° |
| C24 | N23 | C22 | 130.8° | 132.6° |
| N23 | C24 | H11 | 127.0° | 126.4° |
| N26 | C20 | N23 | 111.0° | 108.2° |
| N26 | C20 | C7 | 130.5° | 132.7° |
| C20 | N23 | C22 | 122.6° | 120.5° |
| N23 | C20 | C7 | 118.4° | 119.1° |
| N23 | C22 | C21 | 119.1° | 121.6° |
| N23 | C22 | H10 | 120.5° | 119.2° |
| C20 | C7 | C19 | 117.6° | 118.3° |
| C20 | C7 | C2 | 121.1° | 120.8° |
| C22 | C21 | C19 | 120.2° | 121.1° |
| C22 | C21 | H9 | 119.9° | 119.4° |
| C21 | C22 | H10 | 120.4° | 119.2° |
| C21 | C19 | C7 | 122.2° | 119.4° |
| C19 | C21 | H9 | 119.9° | 119.5° |
| C21 | C19 | H16 | 118.9° | 120.3° |
| C19 | C7 | C2 | 121.4° | 120.9° |
| C7 | C19 | H16 | 118.9° | 120.3° |
| C7 | C2 | C3 | 120.6° | 120.0° |
| C7 | C2 | C1 | 120.5° | 120.0° |
| C2 | C3 | C4 | 120.5° | 119.9° |
| C3 | C2 | C1 | 119.0° | 120.0° |
| C2 | C3 | H18 | 119.7° | 120.1° |
| C3 | C4 | C5 | 120.4° | 119.9° |
| C3 | C4 | H1 | 119.8° | 120.0° |
| C4 | C3 | H18 | 119.7° | 120.0° |
| C2 | C1 | C6 | 121.8° | 120.1° |
| C2 | C1 | H12 | 119.1° | 119.9° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C4 | C5 | C9 | 118.6° | 120.0° |
| C5 | C4 | H1 | 119.8° | 120.1° |
| C15 | C10 | C9 | 123.1° | 120.5° |
| C15 | C10 | C11 | 117.5° | 120.5° |
| C10 | C15 | H6 | 109.5° | 109.4° |
| C10 | C15 | H7 | 109.5° | 109.5° |
| C10 | C15 | H8 | 109.4° | 109.4° |
| C1 | C6 | C5 | 118.2° | 120.1° |
| C1 | C6 | C8 | 119.0° | 119.9° |
| C6 | C1 | H12 | 119.1° | 119.9° |
| C6 | C5 | C9 | 121.3° | 120.0° |
| C5 | C6 | C8 | 122.7° | 119.9° |
| C5 | C9 | C10 | 122.4° | 120.4° |
| C5 | C9 | N14 | 116.4° | 120.3° |
| C9 | C10 | C11 | 119.4° | 119.0° |
| C10 | C9 | N14 | 121.2° | 119.3° |
| C10 | C11 | O18 | 123.9° | 120.2° |
| C10 | C11 | N12 | 115.6° | 119.6° |
| C6 | C8 | H2 | 109.5° | 109.5° |
| C6 | C8 | H3 | 109.5° | 109.5° |
| C6 | C8 | H4 | 109.5° | 109.5° |
| C9 | N14 | C16 | 121.3° | 119.8° |
| C9 | N14 | C13 | 121.0° | 120.4° |
| O18 | C11 | N12 | 120.4° | 120.2° |
| C11 | N12 | C13 | 126.7° | 120.6° |
| C11 | N12 | H5 | 116.7° | 119.7° |
| C16 | N14 | C13 | 117.7° | 119.8° |
| N14 | C16 | H13 | 109.5° | 109.4° |
| N14 | C16 | H14 | 109.5° | 109.5° |
| N14 | C16 | H15 | 109.4° | 109.5° |
| N14 | C13 | N12 | 116.1° | 121.1° |
| N14 | C13 | O17 | 121.9° | 119.5° |
| N12 | C13 | O17 | 122.0° | 119.5° |
| C13 | N12 | H5 | 116.6° | 119.7° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H2 | C8 | H4 | 109.5° | 109.4° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | N26 | H17 | 180.0° | 180.0° |
| C25 | C24 | N23 | H11 | 180.0° | 179.9° |
| C24 | C25 | N26 | C20 | 0.1° | 0.0° |
| C25 | C24 | N23 | C20 | 0.1° | 0.0° |
| C25 | C24 | N23 | C22 | 179.9° | 180.0° |
| N26 | C25 | C24 | N23 | 0.2° | 0.0° |
| C25 | N26 | C20 | N23 | 0.1° | 0.0° |
| C25 | N26 | C20 | C7 | 179.8° | 179.9° |
| N26 | C25 | C24 | H11 | 179.9° | 180.0° |
| C24 | N23 | C20 | N26 | 0.0° | 0.0° |
| C24 | N23 | C20 | C22 | 180.0° | 180.0° |
| C24 | N23 | C20 | C7 | 179.9° | 179.9° |
| C24 | N23 | C22 | C21 | 180.0° | 179.8° |
| C24 | N23 | C22 | H10 | 0.0° | 0.3° |
| N23 | C24 | C25 | H17 | 179.8° | 180.0° |
| N26 | C20 | N23 | C7 | 179.9° | 179.9° |
| N26 | C20 | N23 | C22 | 180.0° | 180.0° |
| N26 | C20 | C7 | C19 | 180.0° | 179.9° |
| N26 | C20 | C7 | C2 | 0.5° | 0.2° |
| C20 | N26 | C25 | H17 | 179.8° | 180.0° |
| C20 | N23 | C22 | C21 | 0.0° | 0.3° |
| N23 | C20 | C7 | C19 | 0.2° | 0.0° |
| N23 | C20 | C7 | C2 | 179.7° | 179.7° |
| C20 | N23 | C22 | H10 | 180.0° | 179.7° |
| C20 | N23 | C24 | H11 | 179.9° | 179.9° |
| C22 | N23 | C20 | C7 | 0.1° | 0.0° |
| N23 | C22 | C21 | H10 | 180.0° | 179.5° |
| N23 | C22 | C21 | C19 | 0.0° | 0.6° |
| N23 | C22 | C21 | H9 | 180.0° | 180.0° |
| C22 | N23 | C24 | H11 | 0.1° | 0.1° |
| C20 | C7 | C19 | C21 | 0.2° | 0.3° |
| C20 | C7 | C19 | C2 | 179.5° | 179.7° |
| C20 | C7 | C2 | C3 | 55.1° | 65.6° |
| C20 | C7 | C2 | C1 | 124.6° | 114.8° |
| C20 | C7 | C19 | H16 | 179.9° | 179.7° |
| C22 | C21 | C19 | H9 | 180.0° | 179.4° |
| C22 | C21 | C19 | C7 | 0.1° | 0.6° |
| C22 | C21 | C19 | H16 | 179.9° | 179.4° |
| C21 | C19 | C7 | H16 | 180.0° | 180.0° |
| C21 | C19 | C7 | C2 | 179.7° | 180.0° |
| C19 | C21 | C22 | H10 | 180.0° | 180.0° |
| C19 | C7 | C2 | C3 | 124.4° | 114.7° |
| C19 | C7 | C2 | C1 | 55.8° | 64.9° |
| C7 | C19 | C21 | H9 | 179.9° | 180.0° |
| C7 | C2 | C3 | C1 | 179.7° | 179.6° |
| C7 | C2 | C3 | C4 | 179.7° | 179.8° |
| C7 | C2 | C1 | C6 | 179.7° | 180.0° |
| C7 | C2 | C1 | H12 | 0.3° | 0.1° |
| C2 | C7 | C19 | H16 | 0.3° | 0.0° |
| C7 | C2 | C3 | H18 | 0.3° | 0.0° |
| C2 | C3 | C4 | H18 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.3° | 0.5° |
| C3 | C2 | C1 | C6 | 0.0° | 0.4° |
| C2 | C3 | C4 | H1 | 179.7° | 179.7° |
| C3 | C2 | C1 | H12 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 0.0° | 0.6° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.6° | 0.2° |
| C3 | C4 | C5 | C9 | 179.9° | 179.7° |
| C2 | C1 | C6 | H12 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C2 | C1 | C6 | C8 | 179.8° | 180.0° |
| C1 | C2 | C3 | H18 | 180.0° | 179.6° |
| C4 | C5 | C6 | C1 | 0.6° | 0.0° |
| C4 | C5 | C6 | C9 | 179.3° | 179.9° |
| C4 | C5 | C9 | C10 | 84.3° | 113.5° |
| C4 | C5 | C6 | C8 | 179.9° | 180.0° |
| C4 | C5 | C9 | N14 | 95.2° | 66.5° |
| C5 | C4 | C3 | H18 | 179.7° | 179.7° |
| C15 | C10 | C9 | C5 | 0.4° | 0.2° |
| C15 | C10 | C9 | C11 | 179.8° | 179.7° |
| C15 | C10 | C9 | N14 | 179.9° | 179.7° |
| C15 | C10 | C11 | O18 | 0.0° | 0.3° |
| C15 | C10 | C11 | N12 | 180.0° | 179.7° |
| C10 | C15 | H6 | H7 | 120.0° | 120.0° |
| C10 | C15 | H6 | H8 | 120.0° | 120.0° |
| C10 | C15 | H7 | H8 | 120.0° | 120.0° |
| C1 | C6 | C5 | C8 | 179.5° | 180.0° |
| C1 | C6 | C5 | C9 | 179.8° | 179.9° |
| C1 | C6 | C8 | H2 | 90.2° | 84.8° |
| C1 | C6 | C8 | H3 | 149.8° | 35.3° |
| C1 | C6 | C8 | H4 | 29.8° | 155.2° |
| C6 | C5 | C9 | C10 | 95.0° | 66.4° |
| C6 | C5 | C9 | N14 | 85.5° | 113.5° |
| C6 | C5 | C4 | H1 | 179.4° | 180.0° |
| C5 | C6 | C8 | H2 | 90.3° | 95.2° |
| C5 | C6 | C8 | H3 | 29.7° | 144.8° |
| C5 | C6 | C8 | H4 | 149.7° | 24.8° |
| C5 | C6 | C1 | H12 | 179.7° | 179.9° |
| C5 | C9 | C10 | N14 | 179.5° | 180.0° |
| C5 | C9 | C10 | C11 | 179.8° | 179.9° |
| C9 | C5 | C6 | C8 | 0.7° | 0.0° |
| C5 | C9 | N14 | C16 | 0.3° | 0.0° |
| C5 | C9 | N14 | C13 | 179.7° | 179.9° |
| C9 | C5 | C4 | H1 | 0.1° | 0.0° |
| C9 | C10 | C11 | O18 | 179.8° | 179.9° |
| C9 | C10 | C11 | N12 | 0.2° | 0.0° |
| C10 | C9 | N14 | C16 | 179.8° | 180.0° |
| C10 | C9 | N14 | C13 | 0.2° | 0.0° |
| C9 | C10 | C15 | H6 | 180.0° | 95.3° |
| C9 | C10 | C15 | H7 | 60.0° | 144.7° |
| C9 | C10 | C15 | H8 | 60.0° | 24.7° |
| C11 | C10 | C9 | N14 | 0.3° | 0.0° |
| C10 | C11 | O18 | N12 | 180.0° | 179.9° |
| C10 | C11 | N12 | C13 | 0.0° | 0.0° |
| C10 | C11 | N12 | H5 | 180.0° | 180.0° |
| C11 | C10 | C15 | H6 | 0.2° | 84.5° |
| C11 | C10 | C15 | H7 | 119.8° | 35.5° |
| C11 | C10 | C15 | H8 | 120.2° | 155.5° |
| C6 | C8 | H2 | H3 | 120.0° | 120.0° |
| C6 | C8 | H2 | H4 | 120.0° | 120.0° |
| C6 | C8 | H3 | H4 | 120.0° | 120.0° |
| C8 | C6 | C1 | H12 | 0.2° | 0.1° |
| C9 | N14 | C16 | C13 | 180.0° | 179.9° |
| C9 | N14 | C13 | N12 | 0.0° | 0.0° |
| C9 | N14 | C13 | O17 | 179.9° | 180.0° |
| C9 | N14 | C16 | H13 | 180.0° | 85.0° |
| C9 | N14 | C16 | H14 | 60.0° | 155.1° |
| C9 | N14 | C16 | H15 | 60.0° | 35.0° |
| O18 | C11 | N12 | C13 | 180.0° | 180.0° |
| O18 | C11 | N12 | H5 | 0.0° | 0.1° |
| C11 | N12 | C13 | N14 | 0.1° | 0.1° |
| C11 | N12 | C13 | H5 | 180.0° | 180.0° |
| C11 | N12 | C13 | O17 | 180.0° | 180.0° |
| C16 | N14 | C13 | N12 | 180.0° | 180.0° |
| C16 | N14 | C13 | O17 | 0.1° | 0.1° |
| N14 | C16 | H13 | H14 | 120.0° | 119.9° |
| N14 | C16 | H13 | H15 | 120.0° | 120.0° |
| N14 | C16 | H14 | H15 | 120.0° | 120.0° |
| N14 | C13 | N12 | O17 | 179.9° | 180.0° |
| N14 | C13 | N12 | H5 | 179.9° | 180.0° |
| C13 | N14 | C16 | H13 | 0.0° | 95.1° |
| C13 | N14 | C16 | H14 | 120.1° | 24.9° |
| C13 | N14 | C16 | H15 | 120.0° | 144.9° |
| O17 | C13 | N12 | H5 | 0.0° | 0.0° |
| H1 | C4 | C3 | H18 | 0.3° | 0.1° |
| H2 | C8 | H3 | H4 | 120.0° | 119.9° |
| H6 | C15 | H7 | H8 | 120.0° | 120.1° |
| H9 | C21 | C22 | H10 | 0.0° | 0.6° |
| H9 | C21 | C19 | H16 | 0.1° | 0.0° |
| H11 | C24 | C25 | H17 | 0.2° | 0.1° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
