O4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C14 | doub | 1.22Å | 1.40Å | |
| O9 | C7 | doub | 1.22Å | 1.19Å | |
| C20 | C6 | sing | 1.51Å | 1.53Å | |
| C14 | C8 | sing | 1.47Å | 1.36Å | |
| C14 | N15 | sing | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.47Å | 1.52Å | |
| C7 | C1 | sing | 1.48Å | 1.52Å | |
| C22 | N15 | sing | 1.46Å | 1.45Å | |
| C8 | C17 | doub | 1.38Å | 1.37Å | |
| N15 | N16 | sing | 1.40Å | 1.39Å | |
| C6 | C1 | doub | 1.39Å | 1.53Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.57Å | Aromatic |
| O18 | C13 | doub | 1.22Å | 1.19Å | |
| C1 | C2 | sing | 1.40Å | 1.52Å | Aromatic |
| C23 | C19 | sing | 1.53Å | 1.53Å | |
| C13 | C5 | sing | 1.47Å | 1.51Å | |
| C13 | N12 | sing | 1.35Å | 1.47Å | |
| C17 | N16 | sing | 1.35Å | 1.32Å | |
| C5 | C4 | doub | 1.41Å | 1.46Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.52Å | Aromatic |
| N12 | C19 | sing | 1.47Å | 1.45Å | |
| N12 | N11 | sing | 1.40Å | 1.47Å | |
| C19 | C24 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.40Å | 1.55Å | Aromatic |
| C4 | N10 | sing | 1.36Å | 1.46Å | |
| N11 | N10 | doub | 1.28Å | 1.45Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C14 | C8 | 126.1° | 126.8° |
| O21 | C14 | N15 | 126.2° | 126.8° |
| O9 | C7 | C8 | 122.0° | 120.0° |
| O9 | C7 | C1 | 120.6° | 120.0° |
| C20 | C6 | C1 | 117.6° | 120.4° |
| C20 | C6 | C5 | 123.0° | 120.3° |
| C6 | C20 | H2 | 109.5° | 109.5° |
| C6 | C20 | H3 | 109.5° | 109.4° |
| C6 | C20 | H4 | 109.5° | 109.4° |
| C8 | C14 | N15 | 107.8° | 106.4° |
| C14 | C8 | C7 | 127.3° | 126.8° |
| C14 | C8 | C17 | 108.0° | 106.5° |
| C14 | N15 | C22 | 126.6° | 125.6° |
| C14 | N15 | N16 | 107.9° | 108.6° |
| C8 | C7 | C1 | 117.3° | 120.0° |
| C7 | C8 | C17 | 124.7° | 126.8° |
| C7 | C1 | C6 | 122.6° | 119.9° |
| C7 | C1 | C2 | 116.5° | 119.9° |
| C22 | N15 | N16 | 125.5° | 125.8° |
| N15 | C22 | H5 | 109.5° | 109.5° |
| N15 | C22 | H6 | 109.4° | 109.5° |
| N15 | C22 | H7 | 109.5° | 109.5° |
| C8 | C17 | N16 | 108.3° | 108.5° |
| C8 | C17 | H1 | 125.8° | 125.8° |
| N15 | N16 | C17 | 108.0° | 110.0° |
| N15 | N16 | H13 | 109.8° | 125.0° |
| C1 | C6 | C5 | 119.4° | 119.3° |
| C6 | C1 | C2 | 121.0° | 120.2° |
| C6 | C5 | C13 | 123.3° | 121.7° |
| C6 | C5 | C4 | 118.4° | 120.1° |
| O18 | C13 | C5 | 121.3° | 121.3° |
| O18 | C13 | N12 | 119.0° | 121.4° |
| C1 | C2 | C3 | 119.1° | 120.9° |
| C1 | C2 | H11 | 120.4° | 119.6° |
| C23 | C19 | N12 | 111.3° | 109.4° |
| C23 | C19 | C24 | 112.5° | 109.5° |
| C23 | C19 | H14 | 106.0° | 109.5° |
| C19 | C23 | H15 | 109.5° | 109.5° |
| C19 | C23 | H16 | 109.4° | 109.5° |
| C19 | C23 | H17 | 109.5° | 109.5° |
| C5 | C13 | N12 | 119.7° | 117.3° |
| C13 | C5 | C4 | 118.3° | 118.3° |
| C13 | N12 | C19 | 123.7° | 119.9° |
| C13 | N12 | N11 | 119.8° | 120.1° |
| N16 | C17 | H1 | 125.8° | 125.7° |
| C17 | N16 | H13 | 109.8° | 125.0° |
| C5 | C4 | C3 | 122.6° | 119.5° |
| C5 | C4 | N10 | 121.5° | 119.3° |
| C2 | C3 | C4 | 119.5° | 120.1° |
| C3 | C2 | H11 | 120.5° | 119.6° |
| C2 | C3 | H12 | 120.2° | 120.0° |
| C19 | N12 | N11 | 116.5° | 120.0° |
| N12 | C19 | C24 | 113.6° | 109.5° |
| N12 | C19 | H14 | 106.8° | 109.4° |
| N12 | N11 | N10 | 120.6° | 123.0° |
| C19 | C24 | H8 | 109.5° | 109.4° |
| C19 | C24 | H9 | 109.5° | 109.5° |
| C19 | C24 | H10 | 109.5° | 109.5° |
| C24 | C19 | H14 | 106.0° | 109.5° |
| C3 | C4 | N10 | 115.8° | 121.2° |
| C4 | C3 | H12 | 120.3° | 120.0° |
| C4 | N10 | N11 | 120.0° | 122.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H4 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.4° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.4° |
| H5 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.4° |
| H8 | C24 | H9 | 109.5° | 109.6° |
| H8 | C24 | H10 | 109.5° | 109.4° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.4° |
| H15 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C14 | C8 | N15 | 179.6° | 180.0° |
| O21 | C14 | C8 | C7 | 0.1° | 0.1° |
| O21 | C14 | N15 | C22 | 0.3° | 0.1° |
| O21 | C14 | C8 | C17 | 179.6° | 180.0° |
| O21 | C14 | N15 | N16 | 179.5° | 180.0° |
| O9 | C7 | C8 | C14 | 1.1° | 174.8° |
| O9 | C7 | C8 | C1 | 176.7° | 179.9° |
| O9 | C7 | C8 | C17 | 178.3° | 5.3° |
| O9 | C7 | C1 | C6 | 65.5° | 105.0° |
| O9 | C7 | C1 | C2 | 113.2° | 74.9° |
| C20 | C6 | C1 | C7 | 1.2° | 0.0° |
| C20 | C6 | C1 | C5 | 179.7° | 180.0° |
| C20 | C6 | C1 | C2 | 179.9° | 179.9° |
| C20 | C6 | C5 | C13 | 0.2° | 0.1° |
| C20 | C6 | C5 | C4 | 179.8° | 180.0° |
| C6 | C20 | H2 | H3 | 120.0° | 120.0° |
| C6 | C20 | H2 | H4 | 120.0° | 120.0° |
| C6 | C20 | H3 | H4 | 120.0° | 120.0° |
| C14 | C8 | C7 | C17 | 179.4° | 179.9° |
| C14 | C8 | C7 | C1 | 177.8° | 5.1° |
| C8 | C14 | N15 | C22 | 179.9° | 179.9° |
| C8 | C14 | N15 | N16 | 0.1° | 0.0° |
| C14 | C8 | C17 | N16 | 0.1° | 0.0° |
| C14 | C8 | C17 | H1 | 179.8° | 179.7° |
| N15 | C14 | C8 | C7 | 179.5° | 179.9° |
| C14 | N15 | C22 | N16 | 179.8° | 179.9° |
| N15 | C14 | C8 | C17 | 0.0° | 0.0° |
| C14 | N15 | N16 | C17 | 0.2° | 0.0° |
| C14 | N15 | C22 | H5 | 180.0° | 90.1° |
| C14 | N15 | C22 | H6 | 60.0° | 150.0° |
| C14 | N15 | C22 | H7 | 60.0° | 30.0° |
| C14 | N15 | N16 | H13 | 120.0° | 179.8° |
| C8 | C7 | C1 | C6 | 117.8° | 75.1° |
| C8 | C7 | C1 | C2 | 63.5° | 105.0° |
| C7 | C8 | C17 | N16 | 179.4° | 179.9° |
| C7 | C8 | C17 | H1 | 0.7° | 0.2° |
| C1 | C7 | C8 | C17 | 1.6° | 174.8° |
| C7 | C1 | C6 | C2 | 178.7° | 179.9° |
| C7 | C1 | C6 | C5 | 179.1° | 179.9° |
| C7 | C1 | C2 | C3 | 179.2° | 180.0° |
| C7 | C1 | C2 | H11 | 0.9° | 0.1° |
| C22 | N15 | N16 | C17 | 180.0° | 179.9° |
| N15 | C22 | H5 | H6 | 120.0° | 120.0° |
| N15 | C22 | H5 | H7 | 120.0° | 120.1° |
| N15 | C22 | H6 | H7 | 120.0° | 120.0° |
| C22 | N15 | N16 | H13 | 60.2° | 0.3° |
| C8 | C17 | N16 | N15 | 0.2° | 0.0° |
| C8 | C17 | N16 | H1 | 180.0° | 179.7° |
| C8 | C17 | N16 | H13 | 120.0° | 179.8° |
| N15 | N16 | C17 | H13 | 119.8° | 179.8° |
| N15 | N16 | C17 | H1 | 179.8° | 179.7° |
| N16 | N15 | C22 | H5 | 0.2° | 90.0° |
| N16 | N15 | C22 | H6 | 120.2° | 29.9° |
| N16 | N15 | C22 | H7 | 119.8° | 149.9° |
| C1 | C6 | C5 | C13 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C1 | C6 | C20 | H2 | 89.9° | 95.8° |
| C1 | C6 | C20 | H3 | 150.1° | 144.2° |
| C1 | C6 | C20 | H4 | 30.2° | 24.2° |
| C6 | C1 | C2 | H11 | 179.6° | 180.0° |
| C6 | C5 | C13 | O18 | 0.1° | 0.0° |
| C5 | C6 | C1 | C2 | 0.4° | 0.0° |
| C6 | C5 | C13 | C4 | 179.9° | 180.0° |
| C6 | C5 | C13 | N12 | 179.7° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | N10 | 179.9° | 179.6° |
| C5 | C6 | C20 | H2 | 89.8° | 84.3° |
| C5 | C6 | C20 | H3 | 30.2° | 35.7° |
| C5 | C6 | C20 | H4 | 150.2° | 155.7° |
| O18 | C13 | C5 | N12 | 179.9° | 179.9° |
| O18 | C13 | C5 | C4 | 179.8° | 180.0° |
| O18 | C13 | N12 | C19 | 0.0° | 0.0° |
| O18 | C13 | N12 | N11 | 179.8° | 179.7° |
| C1 | C2 | C3 | H11 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H12 | 179.9° | 180.0° |
| C23 | C19 | N12 | C13 | 70.9° | 120.3° |
| C23 | C19 | N12 | C24 | 128.1° | 120.0° |
| C23 | C19 | N12 | H14 | 115.3° | 120.0° |
| C23 | C19 | N12 | N11 | 108.8° | 60.0° |
| C23 | C19 | C24 | H14 | 115.4° | 120.1° |
| C23 | C19 | C24 | H8 | 180.0° | 60.0° |
| C23 | C19 | C24 | H9 | 60.0° | 180.0° |
| C23 | C19 | C24 | H10 | 60.0° | 59.9° |
| C19 | C23 | H15 | H16 | 120.0° | 120.0° |
| C19 | C23 | H15 | H17 | 120.0° | 120.0° |
| C19 | C23 | H16 | H17 | 120.0° | 120.0° |
| C5 | C13 | N12 | C19 | 179.9° | 179.9° |
| C5 | C13 | N12 | N11 | 0.4° | 0.2° |
| C13 | C5 | C4 | C3 | 179.8° | 180.0° |
| C13 | C5 | C4 | N10 | 0.1° | 0.3° |
| N12 | C13 | C5 | C4 | 0.3° | 0.0° |
| C13 | N12 | C19 | N11 | 179.8° | 179.7° |
| C13 | N12 | C19 | C24 | 57.2° | 119.7° |
| C13 | N12 | N11 | N10 | 0.2° | 0.2° |
| C13 | N12 | C19 | H14 | 173.7° | 0.3° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | N10 | 180.0° | 179.6° |
| C5 | C4 | N10 | N11 | 0.1° | 0.4° |
| C5 | C4 | C3 | H12 | 179.9° | 180.0° |
| C2 | C3 | C4 | H12 | 180.0° | 179.9° |
| C2 | C3 | C4 | N10 | 179.9° | 179.7° |
| N12 | C19 | C24 | H14 | 117.0° | 120.0° |
| C19 | N12 | N11 | N10 | 180.0° | 179.9° |
| N12 | C19 | C24 | H8 | 52.4° | 180.0° |
| N12 | C19 | C24 | H9 | 172.4° | 60.0° |
| N12 | C19 | C24 | H10 | 67.6° | 60.0° |
| N12 | C19 | C23 | H15 | 180.0° | 60.0° |
| N12 | C19 | C23 | H16 | 60.0° | 180.0° |
| N12 | C19 | C23 | H17 | 60.0° | 60.0° |
| N11 | N12 | C19 | C24 | 123.0° | 60.0° |
| N12 | N11 | N10 | C4 | 0.0° | 0.1° |
| N11 | N12 | C19 | H14 | 6.5° | 180.0° |
| C19 | C24 | H8 | H9 | 120.0° | 120.0° |
| C19 | C24 | H8 | H10 | 120.0° | 119.9° |
| C19 | C24 | H9 | H10 | 120.0° | 120.0° |
| C24 | C19 | C23 | H15 | 51.3° | 180.0° |
| C24 | C19 | C23 | H16 | 171.3° | 60.0° |
| C24 | C19 | C23 | H17 | 68.8° | 60.0° |
| C3 | C4 | N10 | N11 | 180.0° | 180.0° |
| C4 | C3 | C2 | H11 | 179.9° | 180.0° |
| N10 | C4 | C3 | H12 | 0.1° | 0.4° |
| H1 | C17 | N16 | H13 | 60.0° | 0.0° |
| H2 | C20 | H3 | H4 | 120.0° | 120.1° |
| H5 | C22 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | H9 | H10 | 120.0° | 120.0° |
| H8 | C24 | C19 | H14 | 64.6° | 60.1° |
| H9 | C24 | C19 | H14 | 55.4° | 60.0° |
| H10 | C24 | C19 | H14 | 175.4° | 180.0° |
| H11 | C2 | C3 | H12 | 0.1° | 0.1° |
| H14 | C19 | C23 | H15 | 64.2° | 59.9° |
| H14 | C19 | C23 | H16 | 55.8° | 60.0° |
| H14 | C19 | C23 | H17 | 175.8° | 179.9° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
