0H5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N16 | sing | 1.46Å | 1.47Å | |
| N16 | N15 | sing | 1.40Å | 1.36Å | Aromatic |
| N16 | C17 | sing | 1.35Å | 1.37Å | Aromatic |
| N15 | C14 | doub | 1.31Å | 1.35Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | N12 | sing | 1.40Å | 1.38Å | |
| N12 | C10 | sing | 1.38Å | 1.44Å | |
| O11 | C13 | sing | 1.43Å | 1.44Å | |
| O11 | C1 | sing | 1.36Å | 1.41Å | |
| C6 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| C10 | N9 | doub | 1.33Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.43Å | Aromatic |
| N9 | C8 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | N7 | sing | 1.34Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.31Å | 1.32Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | N16 | N15 | 121.1° | 126.0° |
| C19 | N16 | C17 | 128.3° | 126.0° |
| N16 | C19 | H7 | 109.5° | 109.5° |
| N16 | C19 | H8 | 109.5° | 109.5° |
| N16 | C19 | H9 | 109.5° | 109.4° |
| N15 | N16 | C17 | 110.5° | 108.0° |
| N16 | N15 | C14 | 107.4° | 108.2° |
| N16 | C17 | C18 | 107.2° | 107.9° |
| N16 | C17 | H13 | 126.4° | 126.0° |
| N15 | C14 | C18 | 108.9° | 108.1° |
| N15 | C14 | N12 | 122.4° | 126.0° |
| C17 | C18 | C14 | 105.9° | 107.8° |
| C17 | C18 | H6 | 127.0° | 126.1° |
| C18 | C17 | H13 | 126.4° | 126.1° |
| C18 | C14 | N12 | 128.6° | 126.0° |
| C14 | C18 | H6 | 127.0° | 126.1° |
| C14 | N12 | C10 | 132.3° | 120.0° |
| C14 | N12 | H12 | 113.9° | 120.0° |
| N12 | C10 | C5 | 119.6° | 120.9° |
| N12 | C10 | N9 | 121.5° | 121.0° |
| C10 | N12 | H12 | 113.8° | 120.0° |
| C13 | O11 | C1 | 113.7° | 117.0° |
| O11 | C13 | H2 | 109.5° | 109.4° |
| O11 | C13 | H3 | 109.5° | 109.5° |
| O11 | C13 | H4 | 109.5° | 109.5° |
| O11 | C1 | C6 | 115.0° | 119.7° |
| O11 | C1 | C2 | 124.5° | 119.6° |
| C1 | C6 | C5 | 121.3° | 119.4° |
| C6 | C1 | C2 | 120.5° | 120.6° |
| C1 | C6 | H1 | 119.4° | 120.3° |
| C6 | C5 | C10 | 124.3° | 122.1° |
| C6 | C5 | C4 | 118.6° | 119.8° |
| C5 | C6 | H1 | 119.3° | 120.3° |
| C1 | C2 | C3 | 118.9° | 120.9° |
| C1 | C2 | H10 | 120.5° | 119.5° |
| C5 | C10 | N9 | 118.9° | 118.2° |
| C10 | C5 | C4 | 117.1° | 118.2° |
| C10 | N9 | C8 | 119.9° | 121.5° |
| C5 | C4 | C3 | 119.8° | 119.5° |
| C5 | C4 | N7 | 120.5° | 118.7° |
| N9 | C8 | N7 | 123.7° | 123.0° |
| N9 | C8 | H5 | 118.1° | 118.5° |
| C2 | C3 | C4 | 120.8° | 119.8° |
| C3 | C2 | H10 | 120.6° | 119.5° |
| C2 | C3 | H11 | 119.6° | 120.0° |
| C3 | C4 | N7 | 119.7° | 121.9° |
| C4 | C3 | H11 | 119.6° | 120.1° |
| C4 | N7 | C8 | 119.9° | 120.5° |
| N7 | C8 | H5 | 118.1° | 118.5° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H2 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.4° |
| H7 | C19 | H9 | 109.4° | 109.5° |
| H8 | C19 | H9 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | N16 | N15 | C17 | 178.7° | 179.7° |
| C19 | N16 | N15 | C14 | 178.6° | 180.0° |
| C19 | N16 | C17 | C18 | 178.2° | 179.9° |
| N16 | C19 | H7 | H8 | 120.0° | 120.0° |
| N16 | C19 | H7 | H9 | 120.0° | 120.0° |
| N16 | C19 | H8 | H9 | 120.0° | 119.9° |
| C19 | N16 | C17 | H13 | 1.8° | 0.0° |
| N15 | N16 | C17 | C18 | 0.4° | 0.3° |
| N16 | N15 | C14 | C18 | 0.2° | 0.0° |
| N16 | N15 | C14 | N12 | 178.6° | 180.0° |
| N15 | N16 | C19 | H7 | 0.0° | 90.0° |
| N15 | N16 | C19 | H8 | 120.0° | 150.0° |
| N15 | N16 | C19 | H9 | 120.0° | 30.1° |
| N15 | N16 | C17 | H13 | 179.6° | 179.7° |
| C17 | N16 | N15 | C14 | 0.1° | 0.2° |
| N16 | C17 | C18 | H13 | 180.0° | 179.9° |
| N16 | C17 | C18 | C14 | 0.5° | 0.3° |
| N16 | C17 | C18 | H6 | 179.5° | 179.9° |
| C17 | N16 | C19 | H7 | 178.5° | 89.7° |
| C17 | N16 | C19 | H8 | 58.4° | 30.3° |
| C17 | N16 | C19 | H9 | 61.5° | 150.3° |
| N15 | C14 | C18 | C17 | 0.4° | 0.2° |
| N15 | C14 | C18 | N12 | 178.6° | 180.0° |
| N15 | C14 | N12 | C10 | 158.1° | 180.0° |
| N15 | C14 | C18 | H6 | 179.6° | 180.0° |
| N15 | C14 | N12 | H12 | 21.9° | 0.0° |
| C17 | C18 | C14 | H6 | 180.0° | 179.8° |
| C17 | C18 | C14 | N12 | 178.2° | 179.8° |
| C18 | C14 | N12 | C10 | 20.3° | 0.0° |
| C18 | C14 | N12 | H12 | 159.7° | 180.0° |
| C14 | C18 | C17 | H13 | 179.6° | 179.7° |
| C14 | N12 | C10 | H12 | 180.0° | 180.0° |
| C14 | N12 | C10 | C5 | 179.0° | 180.0° |
| C14 | N12 | C10 | N9 | 0.8° | 0.0° |
| N12 | C14 | C18 | H6 | 1.8° | 0.0° |
| N12 | C10 | C5 | C6 | 1.0° | 0.0° |
| N12 | C10 | C5 | N9 | 179.8° | 180.0° |
| N12 | C10 | C5 | C4 | 178.9° | 180.0° |
| N12 | C10 | N9 | C8 | 179.4° | 179.7° |
| C13 | O11 | C1 | C6 | 163.4° | 180.0° |
| C13 | O11 | C1 | C2 | 16.7° | 0.4° |
| O11 | C13 | H2 | H3 | 120.0° | 120.0° |
| O11 | C13 | H2 | H4 | 120.0° | 120.0° |
| O11 | C13 | H3 | H4 | 120.0° | 120.0° |
| O11 | C1 | C6 | C2 | 180.0° | 179.6° |
| O11 | C1 | C6 | C5 | 178.3° | 180.0° |
| O11 | C1 | C2 | C3 | 179.0° | 179.7° |
| O11 | C1 | C6 | H1 | 1.7° | 0.4° |
| C1 | O11 | C13 | H2 | 180.0° | 60.0° |
| C1 | O11 | C13 | H3 | 60.0° | 180.0° |
| C1 | O11 | C13 | H4 | 60.0° | 60.0° |
| O11 | C1 | C2 | H10 | 1.0° | 0.4° |
| C1 | C6 | C5 | H1 | 180.0° | 179.6° |
| C1 | C6 | C5 | C10 | 178.6° | 179.9° |
| C1 | C6 | C5 | C4 | 1.5° | 0.0° |
| C6 | C1 | C2 | C3 | 1.0° | 0.7° |
| C6 | C1 | C2 | H10 | 179.0° | 180.0° |
| C5 | C6 | C1 | C2 | 1.8° | 0.4° |
| C6 | C5 | C10 | C4 | 179.8° | 180.0° |
| C6 | C5 | C10 | N9 | 179.2° | 180.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C6 | C5 | C4 | N7 | 180.0° | 179.7° |
| C1 | C2 | C3 | H10 | 180.0° | 179.3° |
| C1 | C2 | C3 | C4 | 0.1° | 0.7° |
| C2 | C1 | C6 | H1 | 178.2° | 180.0° |
| C1 | C2 | C3 | H11 | 179.9° | 179.4° |
| C5 | C10 | N9 | C8 | 0.4° | 0.3° |
| C10 | C5 | C4 | C3 | 179.5° | 180.0° |
| C10 | C5 | C4 | N7 | 0.2° | 0.2° |
| C10 | C5 | C6 | H1 | 1.4° | 0.3° |
| C5 | C10 | N12 | H12 | 1.0° | 0.0° |
| N9 | C10 | C5 | C4 | 1.0° | 0.0° |
| C10 | N9 | C8 | N7 | 1.1° | 0.3° |
| C10 | N9 | C8 | H5 | 178.8° | 179.7° |
| N9 | C10 | N12 | H12 | 179.2° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.3° |
| C5 | C4 | C3 | N7 | 179.4° | 179.7° |
| C5 | C4 | N7 | C8 | 1.3° | 0.2° |
| C4 | C5 | C6 | H1 | 178.5° | 179.6° |
| C5 | C4 | C3 | H11 | 179.9° | 179.8° |
| N9 | C8 | N7 | C4 | 2.0° | 0.0° |
| N9 | C8 | N7 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | N7 | 179.3° | 180.0° |
| C3 | C4 | N7 | C8 | 178.1° | 180.0° |
| C4 | C3 | C2 | H10 | 179.9° | 179.9° |
| C4 | N7 | C8 | H5 | 178.0° | 180.0° |
| N7 | C4 | C3 | H11 | 0.7° | 0.0° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H6 | C18 | C17 | H13 | 0.5° | 0.1° |
| H7 | C19 | H8 | H9 | 120.0° | 120.0° |
| H10 | C2 | C3 | H11 | 0.1° | 0.1° |
