0X7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C7 | doub | 1.22Å | 1.24Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| N9 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | C2 | sing | 1.48Å | 1.51Å | |
| C17 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| N10 | C3 | sing | 1.38Å | 1.34Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| C3 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.51Å | 1.51Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N9 | H2 | sing | 0.97Å | 1.00Å | |
| N9 | H3 | sing | 0.97Å | 1.00Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| N10 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C7 | N9 | 123.0° | 120.0° |
| O8 | C7 | C2 | 121.0° | 120.0° |
| C17 | C16 | C15 | 120.0° | 120.0° |
| C16 | C17 | C12 | 120.9° | 120.0° |
| C17 | C16 | H11 | 120.0° | 119.9° |
| C16 | C17 | H12 | 119.6° | 120.0° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C16 | C15 | H5 | 120.1° | 120.1° |
| C15 | C16 | H11 | 120.0° | 120.0° |
| N9 | C7 | C2 | 116.0° | 120.0° |
| C7 | N9 | H2 | 120.0° | 120.0° |
| C7 | N9 | H3 | 120.0° | 120.0° |
| C7 | C2 | N1 | 116.9° | 120.2° |
| C7 | C2 | C3 | 121.6° | 120.2° |
| C17 | C12 | C11 | 120.4° | 120.0° |
| C17 | C12 | C13 | 119.5° | 119.9° |
| C12 | C17 | H12 | 119.6° | 120.0° |
| C15 | C14 | C13 | 121.3° | 120.0° |
| C15 | C14 | H4 | 119.3° | 120.0° |
| C14 | C15 | H5 | 120.1° | 120.0° |
| N1 | C2 | C3 | 121.5° | 119.6° |
| C2 | N1 | C6 | 116.2° | 120.0° |
| C2 | C3 | N10 | 119.6° | 120.2° |
| C2 | C3 | N4 | 122.0° | 119.7° |
| N1 | C6 | C5 | 122.2° | 120.3° |
| N1 | C6 | H1 | 118.9° | 119.8° |
| C3 | N10 | C11 | 123.1° | 120.0° |
| N10 | C3 | N4 | 118.4° | 120.1° |
| C3 | N10 | H14 | 106.0° | 120.0° |
| N10 | C11 | C12 | 113.3° | 109.5° |
| N10 | C11 | H9 | 108.5° | 109.4° |
| N10 | C11 | H10 | 108.5° | 109.5° |
| C11 | N10 | H14 | 106.0° | 120.0° |
| C3 | N4 | C5 | 115.9° | 119.9° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C12 | C11 | H9 | 108.5° | 109.5° |
| C12 | C11 | H10 | 108.5° | 109.5° |
| C12 | C13 | C14 | 118.5° | 120.0° |
| C12 | C13 | C18 | 121.8° | 120.0° |
| C6 | C5 | N4 | 122.2° | 120.4° |
| C5 | C6 | H1 | 118.9° | 119.9° |
| C6 | C5 | H13 | 118.9° | 119.8° |
| N4 | C5 | H13 | 118.9° | 119.8° |
| C14 | C13 | C18 | 119.7° | 120.0° |
| C13 | C14 | H4 | 119.4° | 120.0° |
| C13 | C18 | H6 | 109.5° | 109.5° |
| C13 | C18 | H7 | 109.5° | 109.4° |
| C13 | C18 | H8 | 109.5° | 109.4° |
| H2 | N9 | H3 | 120.0° | 120.0° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H6 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C7 | N9 | C2 | 180.0° | 180.0° |
| O8 | C7 | C2 | N1 | 159.3° | 174.5° |
| O8 | C7 | C2 | C3 | 20.7° | 5.5° |
| O8 | C7 | N9 | H2 | 0.0° | 179.9° |
| O8 | C7 | N9 | H3 | 180.0° | 0.0° |
| C17 | C16 | C15 | H11 | 180.0° | 179.7° |
| C16 | C17 | C12 | H12 | 180.0° | 179.6° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C12 | C11 | 179.9° | 180.0° |
| C16 | C17 | C12 | C13 | 0.1° | 0.6° |
| C17 | C16 | C15 | H5 | 179.9° | 180.0° |
| C15 | C16 | C17 | C12 | 0.1° | 0.3° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H4 | 179.9° | 179.7° |
| C15 | C16 | C17 | H12 | 179.9° | 179.9° |
| N9 | C7 | C2 | N1 | 20.7° | 5.5° |
| N9 | C7 | C2 | C3 | 159.3° | 174.5° |
| C7 | N9 | H2 | H3 | 180.0° | 179.9° |
| C7 | C2 | N1 | C3 | 180.0° | 180.0° |
| C7 | C2 | N1 | C6 | 179.9° | 180.0° |
| C7 | C2 | C3 | N10 | 0.0° | 0.0° |
| C7 | C2 | C3 | N4 | 179.9° | 179.9° |
| C2 | C7 | N9 | H2 | 180.0° | 0.1° |
| C2 | C7 | N9 | H3 | 0.0° | 180.0° |
| C17 | C12 | C11 | N10 | 42.7° | 100.6° |
| C17 | C12 | C11 | C13 | 179.9° | 179.4° |
| C17 | C12 | C13 | C14 | 0.1° | 0.6° |
| C17 | C12 | C13 | C18 | 179.8° | 179.4° |
| C17 | C12 | C11 | H9 | 163.3° | 19.4° |
| C17 | C12 | C11 | H10 | 77.8° | 139.4° |
| C12 | C17 | C16 | H11 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.3° |
| C15 | C14 | C13 | H4 | 180.0° | 179.6° |
| C15 | C14 | C13 | C18 | 179.8° | 179.7° |
| C14 | C15 | C16 | H11 | 179.9° | 179.7° |
| N1 | C2 | C3 | N10 | 179.9° | 180.0° |
| N1 | C2 | C3 | N4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | H1 | 180.0° | 180.0° |
| C3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | C3 | N10 | N4 | 179.9° | 180.0° |
| C2 | C3 | N10 | C11 | 143.4° | 174.6° |
| C2 | C3 | N4 | C5 | 0.0° | 0.1° |
| C2 | C3 | N10 | H14 | 21.5° | 5.4° |
| N1 | C6 | C5 | H1 | 180.0° | 179.9° |
| N1 | C6 | C5 | N4 | 0.0° | 0.1° |
| N1 | C6 | C5 | H13 | 180.0° | 180.0° |
| C3 | N10 | C11 | H14 | 121.9° | 180.0° |
| C3 | N10 | C11 | C12 | 117.6° | 180.0° |
| N10 | C3 | N4 | C5 | 179.9° | 180.0° |
| C3 | N10 | C11 | H9 | 2.9° | 60.0° |
| C3 | N10 | C11 | H10 | 121.8° | 60.0° |
| C11 | N10 | C3 | N4 | 36.7° | 5.3° |
| N10 | C11 | C12 | H9 | 120.6° | 120.0° |
| N10 | C11 | C12 | H10 | 120.6° | 120.0° |
| N10 | C11 | C12 | C13 | 137.1° | 80.0° |
| N10 | C11 | H9 | H10 | 118.3° | 120.0° |
| C3 | N4 | C5 | C6 | 0.0° | 0.1° |
| C3 | N4 | C5 | H13 | 180.0° | 180.0° |
| N4 | C3 | N10 | H14 | 158.6° | 174.6° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C11 | C12 | C13 | C18 | 0.1° | 0.0° |
| C12 | C11 | H9 | H10 | 118.2° | 120.0° |
| C11 | C12 | C17 | H12 | 0.1° | 0.3° |
| C12 | C11 | N10 | H14 | 120.5° | 0.0° |
| C12 | C13 | C14 | C18 | 179.9° | 180.0° |
| C12 | C13 | C14 | H4 | 179.9° | 179.9° |
| C12 | C13 | C18 | H6 | 90.1° | 90.0° |
| C12 | C13 | C18 | H7 | 149.9° | 30.0° |
| C12 | C13 | C18 | H8 | 29.9° | 150.0° |
| C13 | C12 | C11 | H9 | 16.6° | 160.0° |
| C13 | C12 | C11 | H10 | 102.3° | 40.0° |
| C13 | C12 | C17 | H12 | 179.9° | 179.8° |
| C6 | C5 | N4 | H13 | 180.0° | 179.9° |
| N4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C13 | C14 | C15 | H5 | 179.9° | 180.0° |
| C14 | C13 | C18 | H6 | 90.1° | 90.0° |
| C14 | C13 | C18 | H7 | 29.9° | 150.0° |
| C14 | C13 | C18 | H8 | 149.9° | 30.0° |
| C18 | C13 | C14 | H4 | 0.2° | 0.1° |
| C13 | C18 | H6 | H7 | 120.0° | 120.0° |
| C13 | C18 | H6 | H8 | 120.0° | 120.0° |
| C13 | C18 | H7 | H8 | 120.0° | 119.9° |
| H1 | C6 | C5 | H13 | 0.0° | 0.1° |
| H4 | C14 | C15 | H5 | 0.1° | 0.4° |
| H5 | C15 | C16 | H11 | 0.1° | 0.3° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H9 | C11 | N10 | H14 | 119.0° | 120.0° |
| H10 | C11 | N10 | H14 | 0.1° | 120.0° |
| H11 | C16 | C17 | H12 | 0.0° | 0.4° |
