5O7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C9 | N4 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| N2 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.45Å | |
| C6 | C1 | doub | 1.41Å | 1.46Å | Aromatic |
| C7 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| N3 | C8 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | C10 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.42Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | N | sing | 1.33Å | 1.36Å | Aromatic |
| C3 | N1 | doub | 1.32Å | 1.31Å | Aromatic |
| N | C | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C | sing | 1.33Å | 1.34Å | Aromatic |
| C | N5 | sing | 1.38Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| N5 | C11 | sing | 1.40Å | 1.39Å | |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | O1 | sing | 1.43Å | 1.43Å | |
| C14 | O1 | sing | 1.36Å | 1.37Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | O | sing | 1.36Å | 1.37Å | |
| O | C17 | sing | 1.43Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C5 | C4 | 123.8° | 122.0° |
| C5 | N2 | C6 | 118.9° | 122.7° |
| N2 | C5 | H16 | 118.1° | 119.0° |
| C5 | C4 | C2 | 119.1° | 118.8° |
| C5 | C4 | H15 | 120.5° | 120.6° |
| C4 | C5 | H16 | 118.1° | 119.0° |
| N4 | C9 | C7 | 112.2° | 108.1° |
| C9 | N4 | N3 | 104.2° | 108.6° |
| N4 | C9 | H17 | 123.9° | 125.9° |
| C9 | C7 | C6 | 128.1° | 126.3° |
| C9 | C7 | C8 | 104.2° | 107.5° |
| C7 | C9 | H17 | 123.9° | 126.0° |
| N2 | C6 | C7 | 114.5° | 120.2° |
| N2 | C6 | C1 | 123.3° | 119.6° |
| N4 | N3 | C8 | 111.5° | 108.3° |
| N4 | N3 | C10 | 121.0° | 125.9° |
| C4 | C2 | C1 | 119.8° | 118.6° |
| C4 | C2 | C3 | 125.4° | 122.9° |
| C2 | C4 | H15 | 120.4° | 120.6° |
| C7 | C6 | C1 | 122.2° | 120.2° |
| C6 | C7 | C8 | 127.7° | 126.3° |
| C6 | C1 | C2 | 115.0° | 118.4° |
| C6 | C1 | N | 123.1° | 122.8° |
| C7 | C8 | N3 | 107.9° | 107.6° |
| C7 | C8 | H18 | 126.1° | 126.2° |
| C8 | N3 | C10 | 127.5° | 125.8° |
| N3 | C8 | H18 | 126.1° | 126.2° |
| N3 | C10 | H1 | 109.5° | 109.4° |
| N3 | C10 | H2 | 109.4° | 109.5° |
| N3 | C10 | H3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 114.8° | 118.5° |
| C2 | C1 | N | 121.8° | 118.9° |
| C2 | C3 | N1 | 124.5° | 118.3° |
| C2 | C3 | H14 | 117.7° | 120.8° |
| C1 | N | C | 116.1° | 120.1° |
| C3 | N1 | C | 115.8° | 121.5° |
| N1 | C3 | H14 | 117.7° | 120.9° |
| N | C | N1 | 127.0° | 122.7° |
| N | C | N5 | 116.0° | 118.7° |
| N1 | C | N5 | 116.9° | 118.6° |
| C | N5 | C11 | 125.8° | 120.0° |
| C | N5 | H13 | 117.1° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.1° |
| C12 | C13 | H4 | 120.0° | 120.0° |
| C13 | C12 | H11 | 119.9° | 120.0° |
| C12 | C11 | N5 | 122.3° | 120.0° |
| C12 | C11 | C16 | 119.4° | 120.0° |
| C11 | C12 | H11 | 119.9° | 120.0° |
| C13 | C14 | O1 | 124.7° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C14 | C13 | H4 | 120.1° | 119.9° |
| N5 | C11 | C16 | 118.3° | 120.0° |
| C11 | N5 | H13 | 117.1° | 120.0° |
| C11 | C16 | C15 | 120.4° | 119.9° |
| C11 | C16 | O | 114.5° | 120.1° |
| C18 | O1 | C14 | 118.6° | 117.0° |
| O1 | C18 | H8 | 109.5° | 109.4° |
| O1 | C18 | H9 | 109.5° | 109.5° |
| O1 | C18 | H10 | 109.5° | 109.5° |
| O1 | C14 | C15 | 114.7° | 120.0° |
| C14 | C15 | C16 | 119.4° | 120.0° |
| C14 | C15 | H12 | 120.3° | 120.0° |
| C15 | C16 | O | 125.1° | 120.0° |
| C16 | C15 | H12 | 120.3° | 120.0° |
| C16 | O | C17 | 118.2° | 117.0° |
| O | C17 | H5 | 109.5° | 109.5° |
| O | C17 | H6 | 109.5° | 109.5° |
| O | C17 | H7 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H5 | C17 | H6 | 109.4° | 109.5° |
| H5 | C17 | H7 | 109.5° | 109.5° |
| H6 | C17 | H7 | 109.5° | 109.4° |
| H8 | C18 | H9 | 109.4° | 109.5° |
| H8 | C18 | H10 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C5 | C4 | H16 | 180.0° | 179.9° |
| N2 | C5 | C4 | C2 | 0.1° | 0.1° |
| C5 | N2 | C6 | C7 | 179.3° | 180.0° |
| C5 | N2 | C6 | C1 | 0.1° | 0.0° |
| N2 | C5 | C4 | H15 | 179.9° | 180.0° |
| C4 | C5 | N2 | C6 | 0.1° | 0.1° |
| C5 | C4 | C2 | H15 | 180.0° | 180.0° |
| C5 | C4 | C2 | C1 | 0.1° | 0.0° |
| C5 | C4 | C2 | C3 | 178.5° | 179.8° |
| N4 | C9 | C7 | H17 | 180.0° | 179.9° |
| N4 | C9 | C7 | C6 | 179.3° | 179.9° |
| N4 | C9 | C7 | C8 | 0.1° | 0.3° |
| C9 | N4 | N3 | C8 | 0.0° | 0.2° |
| C9 | N4 | N3 | C10 | 180.0° | 180.0° |
| C9 | C7 | C6 | N2 | 20.9° | 145.4° |
| C7 | C9 | N4 | N3 | 0.1° | 0.0° |
| C9 | C7 | C6 | C8 | 179.3° | 179.6° |
| C9 | C7 | C6 | C1 | 158.4° | 34.6° |
| C9 | C7 | C8 | N3 | 0.1° | 0.4° |
| C9 | C7 | C8 | H18 | 179.9° | 179.7° |
| N2 | C6 | C7 | C1 | 179.3° | 180.0° |
| N2 | C6 | C7 | C8 | 159.8° | 35.0° |
| N2 | C6 | C1 | C2 | 0.1° | 0.0° |
| N2 | C6 | C1 | N | 179.2° | 180.0° |
| C6 | N2 | C5 | H16 | 179.8° | 180.0° |
| N4 | N3 | C8 | C7 | 0.0° | 0.4° |
| N4 | N3 | C8 | C10 | 180.0° | 179.8° |
| N4 | N3 | C10 | H1 | 0.0° | 90.0° |
| N4 | N3 | C10 | H2 | 120.0° | 149.9° |
| N4 | N3 | C10 | H3 | 120.0° | 30.0° |
| N3 | N4 | C9 | H17 | 179.9° | 179.9° |
| N4 | N3 | C8 | H18 | 180.0° | 179.7° |
| C4 | C2 | C1 | C6 | 0.1° | 0.0° |
| C4 | C2 | C1 | C3 | 178.6° | 179.8° |
| C4 | C2 | C1 | N | 179.1° | 180.0° |
| C4 | C2 | C3 | N1 | 178.7° | 179.7° |
| C4 | C2 | C3 | H14 | 1.2° | 0.2° |
| C2 | C4 | C5 | H16 | 179.9° | 180.0° |
| C6 | C7 | C8 | N3 | 179.4° | 179.9° |
| C7 | C6 | C1 | C2 | 179.4° | 180.0° |
| C7 | C6 | C1 | N | 0.1° | 0.0° |
| C6 | C7 | C9 | H17 | 0.7° | 0.2° |
| C6 | C7 | C8 | H18 | 0.7° | 0.0° |
| C1 | C6 | C7 | C8 | 20.8° | 145.0° |
| C6 | C1 | C2 | N | 179.3° | 179.9° |
| C6 | C1 | C2 | C3 | 178.7° | 179.8° |
| C6 | C1 | N | C | 178.9° | 179.4° |
| C7 | C8 | N3 | H18 | 180.0° | 179.9° |
| C7 | C8 | N3 | C10 | 179.9° | 179.8° |
| C8 | C7 | C9 | H17 | 179.9° | 179.8° |
| C8 | N3 | C10 | H1 | 180.0° | 89.7° |
| C8 | N3 | C10 | H2 | 60.0° | 30.3° |
| C8 | N3 | C10 | H3 | 59.9° | 150.2° |
| N3 | C10 | H1 | H2 | 120.0° | 120.0° |
| N3 | C10 | H1 | H3 | 120.0° | 120.0° |
| N3 | C10 | H2 | H3 | 120.0° | 119.9° |
| C10 | N3 | C8 | H18 | 0.1° | 0.1° |
| C1 | C2 | C3 | N1 | 0.3° | 0.1° |
| C2 | C1 | N | C | 0.3° | 0.5° |
| C1 | C2 | C3 | H14 | 179.7° | 180.0° |
| C1 | C2 | C4 | H15 | 180.0° | 180.0° |
| C3 | C2 | C1 | N | 0.6° | 0.2° |
| C2 | C3 | N1 | H14 | 180.0° | 179.9° |
| C2 | C3 | N1 | C | 0.3° | 0.0° |
| C3 | C2 | C4 | H15 | 1.6° | 0.2° |
| C1 | N | C | N1 | 0.3° | 0.6° |
| C1 | N | C | N5 | 177.8° | 179.8° |
| C3 | N1 | C | N | 0.6° | 0.3° |
| C3 | N1 | C | N5 | 177.5° | 180.0° |
| N | C | N1 | N5 | 178.1° | 179.7° |
| N | C | N5 | C11 | 1.0° | 174.4° |
| N | C | N5 | H13 | 179.0° | 5.7° |
| N1 | C | N5 | C11 | 177.3° | 6.0° |
| N1 | C | N5 | H13 | 2.7° | 174.0° |
| C | N1 | C3 | H14 | 179.7° | 179.9° |
| C | N5 | C11 | C12 | 34.3° | 25.1° |
| C | N5 | C11 | H13 | 180.0° | 180.0° |
| C | N5 | C11 | C16 | 144.3° | 154.4° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | H4 | 180.0° | 179.7° |
| C13 | C12 | C11 | N5 | 178.2° | 180.0° |
| C13 | C12 | C11 | C16 | 0.4° | 0.5° |
| C12 | C13 | C14 | O1 | 179.5° | 179.7° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | N5 | C16 | 178.6° | 179.5° |
| C12 | C11 | C16 | C15 | 0.6° | 0.8° |
| C12 | C11 | C16 | O | 179.1° | 179.8° |
| C11 | C12 | C13 | H4 | 180.0° | 179.7° |
| C12 | C11 | N5 | H13 | 145.7° | 154.9° |
| C13 | C14 | O1 | C18 | 0.0° | 0.0° |
| C13 | C14 | O1 | C15 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | H11 | 179.9° | 180.0° |
| C13 | C14 | C15 | H12 | 179.9° | 180.0° |
| N5 | C11 | C16 | C15 | 178.0° | 179.7° |
| N5 | C11 | C16 | O | 2.3° | 0.3° |
| N5 | C11 | C12 | H11 | 1.8° | 0.1° |
| C11 | C16 | C15 | C14 | 0.4° | 0.5° |
| C11 | C16 | C15 | O | 179.6° | 179.4° |
| C11 | C16 | O | C17 | 178.1° | 179.5° |
| C16 | C11 | C12 | H11 | 179.6° | 179.4° |
| C11 | C16 | C15 | H12 | 179.6° | 179.5° |
| C16 | C11 | N5 | H13 | 35.7° | 25.6° |
| C18 | O1 | C14 | C15 | 179.8° | 180.0° |
| O1 | C18 | H8 | H9 | 120.0° | 119.9° |
| O1 | C18 | H8 | H10 | 120.0° | 120.0° |
| O1 | C18 | H9 | H10 | 120.0° | 120.0° |
| O1 | C14 | C15 | C16 | 179.7° | 179.9° |
| O1 | C14 | C13 | H4 | 0.5° | 0.0° |
| C14 | O1 | C18 | H8 | 180.0° | 60.0° |
| C14 | O1 | C18 | H9 | 60.0° | 60.0° |
| C14 | O1 | C18 | H10 | 60.0° | 180.0° |
| O1 | C14 | C15 | H12 | 0.3° | 0.1° |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | O | 179.3° | 180.0° |
| C15 | C14 | C13 | H4 | 179.7° | 180.0° |
| C15 | C16 | O | C17 | 1.5° | 0.0° |
| C16 | O | C17 | H5 | 180.0° | 60.0° |
| C16 | O | C17 | H6 | 60.0° | 60.0° |
| C16 | O | C17 | H7 | 60.0° | 180.0° |
| O | C16 | C15 | H12 | 0.7° | 0.0° |
| O | C17 | H5 | H6 | 120.0° | 120.0° |
| O | C17 | H5 | H7 | 120.0° | 120.1° |
| O | C17 | H6 | H7 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.1° |
| H4 | C13 | C12 | H11 | 0.0° | 0.4° |
| H5 | C17 | H6 | H7 | 120.0° | 119.9° |
| H8 | C18 | H9 | H10 | 120.0° | 120.0° |
| H15 | C4 | C5 | H16 | 0.1° | 0.1° |
