5O4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O | sing | 1.34Å | 1.36Å | Aromatic |
| C7 | C6 | doub | 1.34Å | 1.33Å | Aromatic |
| O | C8 | sing | 1.34Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.47Å | 1.42Å | Aromatic |
| C8 | C5 | doub | 1.36Å | 1.35Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.45Å | |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.49Å | |
| C4 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| N | C | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.41Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| C | C1 | doub | 1.36Å | 1.38Å | Aromatic |
| C2 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.42Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C7 | C6 | 110.4° | 109.1° |
| C7 | O | C8 | 106.0° | 110.8° |
| O | C7 | H3 | 124.8° | 125.4° |
| C7 | C6 | C5 | 107.3° | 106.0° |
| C7 | C6 | H2 | 126.4° | 127.0° |
| C6 | C7 | H3 | 124.8° | 125.5° |
| O | C8 | C5 | 110.8° | 108.4° |
| O | C8 | H4 | 124.6° | 125.7° |
| C14 | C13 | C12 | 119.8° | 120.3° |
| C13 | C14 | C15 | 120.3° | 120.2° |
| C13 | C14 | H8 | 119.8° | 119.9° |
| C14 | C13 | H9 | 120.1° | 119.8° |
| C13 | C12 | C11 | 120.3° | 120.2° |
| C12 | C13 | H9 | 120.1° | 119.9° |
| C13 | C12 | H10 | 119.8° | 119.9° |
| C14 | C15 | C10 | 120.4° | 119.8° |
| C14 | C15 | H7 | 119.8° | 120.1° |
| C15 | C14 | H8 | 119.9° | 119.9° |
| C6 | C5 | C8 | 105.5° | 105.7° |
| C6 | C5 | C4 | 127.1° | 127.1° |
| C5 | C6 | H2 | 126.4° | 127.0° |
| C8 | C5 | C4 | 127.4° | 127.1° |
| C5 | C8 | H4 | 124.6° | 125.8° |
| C12 | C11 | C10 | 120.5° | 119.9° |
| C11 | C12 | H10 | 119.9° | 120.0° |
| C12 | C11 | H11 | 119.8° | 120.1° |
| C15 | C10 | C11 | 118.7° | 119.7° |
| C15 | C10 | C9 | 120.6° | 120.1° |
| C10 | C15 | H7 | 119.8° | 120.1° |
| C5 | C4 | N | 114.1° | 120.2° |
| C5 | C4 | C3 | 123.1° | 120.2° |
| C11 | C10 | C9 | 120.6° | 120.2° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| C10 | C9 | C3 | 130.1° | 126.2° |
| C10 | C9 | N1 | 119.3° | 126.3° |
| N | C4 | C3 | 122.7° | 119.6° |
| C4 | N | C | 118.5° | 123.3° |
| C4 | C3 | C9 | 139.1° | 135.7° |
| C4 | C3 | C2 | 116.5° | 118.0° |
| N | C | C1 | 124.0° | 122.8° |
| N | C | H6 | 118.0° | 118.6° |
| C3 | C9 | N1 | 110.5° | 107.6° |
| C9 | C3 | C2 | 104.4° | 106.3° |
| C9 | N1 | N2 | 106.6° | 109.8° |
| C9 | N1 | H5 | 126.7° | 125.1° |
| C3 | C2 | N2 | 106.8° | 107.0° |
| C3 | C2 | C1 | 120.9° | 117.4° |
| N1 | N2 | C2 | 111.8° | 109.3° |
| N2 | N1 | H5 | 126.7° | 125.1° |
| C | C1 | C2 | 117.4° | 118.9° |
| C | C1 | H1 | 121.3° | 120.5° |
| C1 | C | H6 | 118.0° | 118.6° |
| N2 | C2 | C1 | 132.3° | 135.6° |
| C2 | C1 | H1 | 121.3° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C7 | C6 | H3 | 180.0° | 179.8° |
| O | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | O | C8 | C5 | 0.2° | 0.4° |
| O | C7 | C6 | H2 | 179.8° | 180.0° |
| C7 | O | C8 | H4 | 179.9° | 179.8° |
| C6 | C7 | O | C8 | 0.1° | 0.2° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C8 | 0.3° | 0.2° |
| C7 | C6 | C5 | C4 | 177.5° | 180.0° |
| O | C8 | C5 | C6 | 0.3° | 0.4° |
| O | C8 | C5 | H4 | 180.0° | 179.9° |
| O | C8 | C5 | C4 | 177.5° | 179.9° |
| C8 | O | C7 | H3 | 179.9° | 180.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.1° |
| C13 | C14 | C15 | C10 | 0.1° | 0.0° |
| C13 | C14 | C15 | H7 | 179.9° | 179.7° |
| C14 | C13 | C12 | H10 | 179.7° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C14 | H8 | 179.7° | 180.0° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C14 | C15 | C10 | H7 | 180.0° | 179.7° |
| C14 | C15 | C10 | C11 | 0.5° | 0.0° |
| C14 | C15 | C10 | C9 | 177.1° | 179.7° |
| C15 | C14 | C13 | H9 | 179.8° | 180.0° |
| C6 | C5 | C8 | C4 | 177.8° | 179.7° |
| C6 | C5 | C4 | N | 49.2° | 46.2° |
| C6 | C5 | C4 | C3 | 134.3° | 134.0° |
| C5 | C6 | C7 | H3 | 179.8° | 179.7° |
| C6 | C5 | C8 | H4 | 179.7° | 179.8° |
| C8 | C5 | C4 | N | 128.2° | 133.5° |
| C8 | C5 | C4 | C3 | 48.4° | 46.3° |
| C8 | C5 | C6 | H2 | 179.7° | 179.8° |
| C12 | C11 | C10 | C15 | 0.5° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 177.1° | 179.8° |
| C11 | C12 | C13 | H9 | 179.8° | 180.0° |
| C15 | C10 | C11 | C9 | 177.6° | 179.7° |
| C15 | C10 | C9 | C3 | 34.4° | 127.4° |
| C15 | C10 | C9 | N1 | 142.4° | 52.6° |
| C10 | C15 | C14 | H8 | 179.9° | 180.0° |
| C15 | C10 | C11 | H11 | 179.6° | 179.9° |
| C5 | C4 | N | C3 | 176.5° | 179.8° |
| C5 | C4 | N | C | 175.2° | 180.0° |
| C5 | C4 | C3 | C9 | 5.6° | 0.3° |
| C5 | C4 | C3 | C2 | 174.4° | 179.8° |
| C4 | C5 | C6 | H2 | 2.5° | 0.0° |
| C4 | C5 | C8 | H4 | 2.5° | 0.0° |
| C11 | C10 | C9 | C3 | 148.1° | 52.9° |
| C11 | C10 | C9 | N1 | 35.2° | 127.1° |
| C11 | C10 | C15 | H7 | 179.5° | 179.7° |
| C10 | C11 | C12 | H10 | 179.9° | 180.0° |
| C10 | C9 | C3 | C4 | 3.9° | 0.1° |
| C10 | C9 | C3 | N1 | 177.0° | 180.0° |
| C10 | C9 | C3 | C2 | 176.0° | 180.0° |
| C10 | C9 | N1 | N2 | 176.7° | 180.0° |
| C10 | C9 | N1 | H5 | 3.3° | 0.0° |
| C9 | C10 | C15 | H7 | 2.9° | 0.0° |
| C9 | C10 | C11 | H11 | 2.9° | 0.4° |
| N | C4 | C3 | C9 | 178.1° | 179.9° |
| N | C4 | C3 | C2 | 1.8° | 0.0° |
| C4 | N | C | C1 | 0.0° | 0.3° |
| C4 | N | C | H6 | 180.0° | 179.9° |
| C3 | C4 | N | C | 1.3° | 0.2° |
| C4 | C3 | C9 | C2 | 179.9° | 179.9° |
| C4 | C3 | C9 | N1 | 179.1° | 179.9° |
| C4 | C3 | C2 | N2 | 179.2° | 179.9° |
| C4 | C3 | C2 | C1 | 1.0° | 0.1° |
| N | C | C1 | H6 | 180.0° | 179.7° |
| N | C | C1 | C2 | 0.7° | 0.4° |
| N | C | C1 | H1 | 179.3° | 179.8° |
| C3 | C9 | N1 | N2 | 0.7° | 0.0° |
| C9 | C3 | C2 | N2 | 0.8° | 0.0° |
| C9 | C3 | C2 | C1 | 178.9° | 180.0° |
| C3 | C9 | N1 | H5 | 179.3° | 180.0° |
| N1 | C9 | C3 | C2 | 1.0° | 0.0° |
| C9 | N1 | N2 | H5 | 180.0° | 180.0° |
| C9 | N1 | N2 | C2 | 0.1° | 0.1° |
| C3 | C2 | N2 | N1 | 0.5° | 0.0° |
| C3 | C2 | C1 | C | 0.1° | 0.2° |
| C3 | C2 | N2 | C1 | 179.7° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| N1 | N2 | C2 | C1 | 179.2° | 180.0° |
| C | C1 | C2 | N2 | 179.6° | 179.8° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| N2 | C2 | C1 | H1 | 0.4° | 0.0° |
| C2 | N2 | N1 | H5 | 179.9° | 180.0° |
| C2 | C1 | C | H6 | 179.3° | 179.9° |
| H1 | C1 | C | H6 | 0.7° | 0.1° |
| H2 | C6 | C7 | H3 | 0.2° | 0.2° |
| H7 | C15 | C14 | H8 | 0.1° | 0.3° |
| H8 | C14 | C13 | H9 | 0.2° | 0.0° |
| H9 | C13 | C12 | H10 | 0.2° | 0.1° |
| H10 | C12 | C11 | H11 | 0.1° | 0.1° |
