KZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | O9 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N11 | sing | 1.40Å | 1.35Å | |
| O7 | C8 | sing | 1.43Å | 1.43Å | |
| O9 | C10 | sing | 1.43Å | 1.43Å | |
| N11 | C12 | sing | 1.38Å | 1.35Å | |
| C12 | N13 | sing | 1.33Å | 1.35Å | Aromatic |
| C12 | C17 | doub | 1.41Å | 1.48Å | Aromatic |
| N13 | C14 | doub | 1.31Å | 1.36Å | Aromatic |
| C14 | N15 | sing | 1.36Å | 1.35Å | Aromatic |
| C14 | N24 | sing | 1.37Å | 1.36Å | |
| N15 | C16 | sing | 1.38Å | 1.35Å | Aromatic |
| N15 | C23 | sing | 1.37Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.48Å | Aromatic |
| C16 | N21 | doub | 1.31Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.50Å | |
| C18 | O19 | doub | 1.22Å | 1.22Å | |
| C18 | N20 | sing | 1.35Å | 1.33Å | |
| N21 | N22 | sing | 1.29Å | 1.40Å | Aromatic |
| N22 | C23 | doub | 1.31Å | 1.35Å | Aromatic |
| N24 | C25 | sing | 1.47Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C25 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | N29 | sing | 1.47Å | 1.45Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| N20 | HN2A | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| 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 | |
| N29 | HN29 | sing | 1.01Å | 1.00Å | |
| N29 | HN2B | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 120.1° |
| C2 | C1 | O7 | 120.0° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.1° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C6 | C1 | O7 | 120.1° | 119.9° |
| C1 | C6 | C5 | 120.2° | 119.9° |
| C1 | C6 | H6 | 119.9° | 120.1° |
| C1 | O7 | C8 | 120.4° | 117.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | O9 | 120.3° | 120.0° |
| C3 | C2 | H2 | 119.9° | 119.9° |
| C4 | C3 | O9 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C3 | O9 | C10 | 120.5° | 117.0° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C4 | C5 | N11 | 120.4° | 120.0° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C6 | C5 | N11 | 119.9° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C5 | N11 | C12 | 121.4° | 120.0° |
| C5 | N11 | HN11 | 119.3° | 120.1° |
| O7 | C8 | H8 | 109.5° | 109.5° |
| O7 | C8 | H8A | 109.5° | 109.5° |
| O7 | C8 | H8B | 109.4° | 109.4° |
| O9 | C10 | H10 | 109.5° | 109.4° |
| O9 | C10 | H10A | 109.5° | 109.5° |
| O9 | C10 | H10B | 109.4° | 109.5° |
| N11 | C12 | N13 | 121.8° | 120.1° |
| N11 | C12 | C17 | 120.4° | 120.1° |
| C12 | N11 | HN11 | 119.3° | 119.9° |
| N13 | C12 | C17 | 117.8° | 119.8° |
| C12 | N13 | C14 | 122.2° | 122.8° |
| C12 | C17 | C16 | 117.0° | 117.5° |
| C12 | C17 | C18 | 121.5° | 121.2° |
| N13 | C14 | N15 | 122.6° | 122.1° |
| N13 | C14 | N24 | 118.6° | 119.0° |
| N15 | C14 | N24 | 118.8° | 118.9° |
| C14 | N15 | C16 | 121.4° | 119.8° |
| C14 | N15 | C23 | 130.3° | 134.7° |
| C14 | N24 | C25 | 123.3° | 120.0° |
| C14 | N24 | HN24 | 105.1° | 120.0° |
| C16 | N15 | C23 | 108.3° | 105.6° |
| N15 | C16 | C17 | 119.0° | 118.0° |
| N15 | C16 | N21 | 109.2° | 107.1° |
| N15 | C23 | N22 | 109.1° | 107.3° |
| N15 | C23 | H23 | 125.5° | 126.3° |
| C17 | C16 | N21 | 131.8° | 134.9° |
| C16 | C17 | C18 | 121.5° | 121.3° |
| C16 | N21 | N22 | 106.6° | 109.7° |
| C17 | C18 | O19 | 119.0° | 120.0° |
| C17 | C18 | N20 | 118.9° | 120.0° |
| O19 | C18 | N20 | 122.0° | 120.0° |
| C18 | N20 | HN20 | 120.0° | 120.0° |
| C18 | N20 | HN2A | 120.0° | 120.0° |
| N21 | N22 | C23 | 106.9° | 110.4° |
| N22 | C23 | H23 | 125.5° | 126.4° |
| N24 | C25 | C26 | 108.3° | 109.5° |
| N24 | C25 | C27 | 109.9° | 109.5° |
| N24 | C25 | C28 | 108.8° | 109.5° |
| C25 | N24 | HN24 | 105.1° | 120.0° |
| C26 | C25 | C27 | 110.4° | 109.5° |
| C26 | C25 | C28 | 109.9° | 109.5° |
| C25 | C26 | N29 | 110.4° | 109.5° |
| C25 | C26 | H26 | 109.2° | 109.5° |
| C25 | C26 | H26A | 109.2° | 109.5° |
| C27 | C25 | C28 | 109.6° | 109.5° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.4° |
| C25 | C27 | H27B | 109.5° | 109.5° |
| C25 | C28 | H28 | 109.5° | 109.4° |
| C25 | C28 | H28A | 109.5° | 109.4° |
| C25 | C28 | H28B | 109.5° | 109.5° |
| N29 | C26 | H26 | 109.2° | 109.4° |
| N29 | C26 | H26A | 109.2° | 109.4° |
| C26 | N29 | HN29 | 109.5° | 111.0° |
| C26 | N29 | HN2B | 109.5° | 111.1° |
| H8 | C8 | H8A | 109.4° | 109.4° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.4° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.4° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| HN20 | N20 | HN2A | 120.0° | 120.0° |
| H26 | C26 | H26A | 109.8° | 109.4° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.4° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.4° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| HN29 | N29 | HN2B | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | O9 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | O7 | C8 | 42.4° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | N11 | 179.8° | 180.0° |
| C6 | C1 | O7 | C8 | 137.6° | 179.7° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| O7 | C1 | C2 | C3 | 179.8° | 179.8° |
| O7 | C1 | C6 | C5 | 179.9° | 179.7° |
| O7 | C1 | C2 | H2 | 0.2° | 0.3° |
| O7 | C1 | C6 | H6 | 0.1° | 0.3° |
| C1 | O7 | C8 | H8 | 180.0° | 60.0° |
| C1 | O7 | C8 | H8A | 60.0° | 60.0° |
| C1 | O7 | C8 | H8B | 60.0° | 180.0° |
| C2 | C3 | C4 | O9 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | O9 | C10 | 66.5° | 0.0° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | N11 | 179.8° | 180.0° |
| C4 | C3 | O9 | C10 | 113.7° | 180.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| O9 | C3 | C4 | C5 | 180.0° | 179.9° |
| O9 | C3 | C2 | H2 | 0.0° | 0.0° |
| O9 | C3 | C4 | H4 | 0.0° | 0.0° |
| C3 | O9 | C10 | H10 | 180.0° | 60.0° |
| C3 | O9 | C10 | H10A | 60.0° | 59.9° |
| C3 | O9 | C10 | H10B | 60.0° | 180.0° |
| C4 | C5 | C6 | N11 | 179.7° | 180.0° |
| C4 | C5 | N11 | C12 | 15.5° | 179.4° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | N11 | HN11 | 164.5° | 0.5° |
| C6 | C5 | N11 | C12 | 164.8° | 0.6° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C6 | C5 | N11 | HN11 | 15.2° | 179.5° |
| C5 | N11 | C12 | HN11 | 180.0° | 180.0° |
| C5 | N11 | C12 | N13 | 28.6° | 58.9° |
| C5 | N11 | C12 | C17 | 151.5° | 121.3° |
| N11 | C5 | C4 | H4 | 0.2° | 0.1° |
| N11 | C5 | C6 | H6 | 0.2° | 0.0° |
| O7 | C8 | H8 | H8A | 120.0° | 120.0° |
| O7 | C8 | H8 | H8B | 120.0° | 120.0° |
| O7 | C8 | H8A | H8B | 120.0° | 120.0° |
| O9 | C10 | H10 | H10A | 120.0° | 120.0° |
| O9 | C10 | H10 | H10B | 120.0° | 120.0° |
| O9 | C10 | H10A | H10B | 120.0° | 120.0° |
| N11 | C12 | N13 | C17 | 179.8° | 179.8° |
| N11 | C12 | N13 | C14 | 179.7° | 180.0° |
| N11 | C12 | C17 | C16 | 179.9° | 179.7° |
| N11 | C12 | C17 | C18 | 0.3° | 0.1° |
| C12 | N13 | C14 | N15 | 0.7° | 0.0° |
| C12 | N13 | C14 | N24 | 179.6° | 180.0° |
| N13 | C12 | C17 | C16 | 0.1° | 0.5° |
| N13 | C12 | C17 | C18 | 179.5° | 179.7° |
| N13 | C12 | N11 | HN11 | 151.4° | 121.0° |
| C17 | C12 | N13 | C14 | 0.4° | 0.2° |
| C12 | C17 | C16 | N15 | 0.0° | 0.5° |
| C12 | C17 | C16 | C18 | 179.6° | 179.8° |
| C12 | C17 | C16 | N21 | 180.0° | 179.8° |
| C12 | C17 | C18 | O19 | 4.4° | 5.2° |
| C12 | C17 | C18 | N20 | 174.6° | 174.8° |
| C17 | C12 | N11 | HN11 | 28.4° | 58.7° |
| N13 | C14 | N15 | N24 | 178.9° | 180.0° |
| N13 | C14 | N15 | C16 | 0.6° | 0.0° |
| N13 | C14 | N15 | C23 | 179.7° | 180.0° |
| N13 | C14 | N24 | C25 | 93.5° | 5.9° |
| N13 | C14 | N24 | HN24 | 26.5° | 174.1° |
| C14 | N15 | C16 | C23 | 179.7° | 180.0° |
| C14 | N15 | C16 | C17 | 0.2° | 0.2° |
| C14 | N15 | C16 | N21 | 179.8° | 180.0° |
| C14 | N15 | C23 | N22 | 179.7° | 180.0° |
| N15 | C14 | N24 | C25 | 87.5° | 174.2° |
| C14 | N15 | C23 | H23 | 0.3° | 0.1° |
| N15 | C14 | N24 | HN24 | 152.5° | 5.9° |
| N24 | C14 | N15 | C16 | 179.5° | 180.0° |
| N24 | C14 | N15 | C23 | 0.8° | 0.0° |
| C14 | N24 | C25 | HN24 | 120.0° | 179.9° |
| C14 | N24 | C25 | C26 | 128.7° | 177.9° |
| C14 | N24 | C25 | C27 | 8.0° | 62.1° |
| C14 | N24 | C25 | C28 | 111.9° | 57.8° |
| N15 | C16 | C17 | N21 | 180.0° | 179.7° |
| N15 | C16 | C17 | C18 | 179.6° | 179.7° |
| N15 | C16 | N21 | N22 | 0.1° | 0.0° |
| C16 | N15 | C23 | N22 | 0.0° | 0.1° |
| C16 | N15 | C23 | H23 | 179.9° | 179.9° |
| C23 | N15 | C16 | C17 | 180.0° | 179.7° |
| C23 | N15 | C16 | N21 | 0.0° | 0.0° |
| N15 | C23 | N22 | N21 | 0.1° | 0.1° |
| N15 | C23 | N22 | H23 | 180.0° | 179.8° |
| C16 | C17 | C18 | O19 | 176.0° | 175.0° |
| C16 | C17 | C18 | N20 | 5.0° | 5.0° |
| C17 | C16 | N21 | N22 | 179.9° | 179.7° |
| N21 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | N21 | N22 | C23 | 0.1° | 0.1° |
| C17 | C18 | O19 | N20 | 179.0° | 180.0° |
| C17 | C18 | N20 | HN20 | 179.0° | 0.0° |
| C17 | C18 | N20 | HN2A | 1.0° | 180.0° |
| O19 | C18 | N20 | HN20 | 0.0° | 180.0° |
| O19 | C18 | N20 | HN2A | 180.0° | 0.0° |
| C18 | N20 | HN20 | HN2A | 180.0° | 179.9° |
| N21 | N22 | C23 | H23 | 179.9° | 179.9° |
| N24 | C25 | C26 | C27 | 120.3° | 120.0° |
| N24 | C25 | C26 | C28 | 118.7° | 120.0° |
| N24 | C25 | C27 | C28 | 119.5° | 120.0° |
| N24 | C25 | C26 | N29 | 167.3° | 60.0° |
| N24 | C25 | C26 | H26 | 72.8° | 180.0° |
| N24 | C25 | C26 | H26A | 47.2° | 60.0° |
| N24 | C25 | C27 | H27 | 180.0° | 68.0° |
| N24 | C25 | C27 | H27A | 60.0° | 172.0° |
| N24 | C25 | C27 | H27B | 60.0° | 52.0° |
| N24 | C25 | C28 | H28 | 180.0° | 64.5° |
| N24 | C25 | C28 | H28A | 60.0° | 175.5° |
| N24 | C25 | C28 | H28B | 60.0° | 55.5° |
| C26 | C25 | C27 | C28 | 121.2° | 120.0° |
| C25 | C26 | N29 | H26 | 120.0° | 120.0° |
| C25 | C26 | N29 | H26A | 120.0° | 120.1° |
| C26 | C25 | N24 | HN24 | 8.7° | 2.2° |
| C25 | C26 | H26 | H26A | 119.6° | 120.0° |
| C26 | C25 | C27 | H27 | 60.6° | 172.0° |
| C26 | C25 | C27 | H27A | 179.3° | 52.0° |
| C26 | C25 | C27 | H27B | 59.3° | 68.0° |
| C26 | C25 | C28 | H28 | 61.6° | 55.5° |
| C26 | C25 | C28 | H28A | 58.3° | 64.5° |
| C26 | C25 | C28 | H28B | 178.4° | 175.5° |
| C25 | C26 | N29 | HN29 | 180.0° | 56.0° |
| C25 | C26 | N29 | HN2B | 60.0° | 180.0° |
| C27 | C25 | C26 | N29 | 72.4° | 60.0° |
| C27 | C25 | N24 | HN24 | 112.0° | 117.8° |
| C27 | C25 | C26 | H26 | 47.6° | 60.0° |
| C27 | C25 | C26 | H26A | 167.6° | 180.0° |
| C25 | C27 | H27 | H27A | 120.0° | 119.9° |
| C25 | C27 | H27 | H27B | 120.0° | 120.1° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| C27 | C25 | C28 | H28 | 59.8° | 175.5° |
| C27 | C25 | C28 | H28A | 179.8° | 55.6° |
| C27 | C25 | C28 | H28B | 60.2° | 64.5° |
| C28 | C25 | C26 | N29 | 48.6° | 180.0° |
| C28 | C25 | N24 | HN24 | 128.1° | 122.2° |
| C28 | C25 | C26 | H26 | 168.6° | 60.0° |
| C28 | C25 | C26 | H26A | 71.5° | 60.0° |
| C28 | C25 | C27 | H27 | 60.5° | 51.9° |
| C28 | C25 | C27 | H27A | 59.5° | 68.0° |
| C28 | C25 | C27 | H27B | 179.5° | 172.0° |
| C25 | C28 | H28 | H28A | 120.0° | 120.0° |
| C25 | C28 | H28 | H28B | 120.0° | 120.0° |
| C25 | C28 | H28A | H28B | 120.0° | 120.0° |
| N29 | C26 | H26 | H26A | 119.6° | 119.9° |
| C26 | N29 | HN29 | HN2B | 120.0° | 124.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| H26 | C26 | N29 | HN29 | 60.0° | 64.0° |
| H26 | C26 | N29 | HN2B | 180.0° | 59.9° |
| H26A | C26 | N29 | HN29 | 60.0° | 176.1° |
| H26A | C26 | N29 | HN2B | 60.0° | 60.0° |
| H27 | C27 | H27A | H27B | 119.9° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
