9VO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.38Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C8 | sing | 1.47Å | 1.47Å | |
| N7 | C5 | sing | 1.39Å | 1.32Å | |
| C3 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| N6 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 117.4° | 120.0° |
| C12 | C11 | C10 | 120.3° | 120.0° |
| C12 | C11 | H7 | 119.8° | 120.0° |
| C11 | C12 | H8 | 121.3° | 120.0° |
| C12 | C13 | C14 | 123.0° | 120.0° |
| C13 | C12 | H8 | 121.3° | 120.0° |
| C12 | C13 | H9 | 118.5° | 120.0° |
| C11 | C10 | C9 | 121.5° | 120.0° |
| C10 | C11 | H7 | 119.9° | 120.0° |
| C11 | C10 | H11 | 119.3° | 120.0° |
| C13 | C14 | C9 | 118.2° | 120.0° |
| C14 | C13 | H9 | 118.5° | 120.0° |
| C13 | C14 | H10 | 120.9° | 120.0° |
| C10 | C9 | C14 | 119.6° | 120.0° |
| C10 | C9 | C8 | 116.3° | 120.0° |
| C9 | C10 | H11 | 119.2° | 120.0° |
| C14 | C9 | C8 | 124.0° | 120.0° |
| C9 | C14 | H10 | 120.9° | 120.0° |
| C9 | C8 | N7 | 101.2° | 109.4° |
| C9 | C8 | H5 | 111.5° | 109.4° |
| C9 | C8 | H6 | 111.5° | 109.5° |
| C3 | C4 | C5 | 119.8° | 119.1° |
| C4 | C3 | C1 | 117.9° | 118.5° |
| C4 | C3 | H3 | 121.0° | 120.7° |
| C3 | C4 | H4 | 120.1° | 120.5° |
| C4 | C5 | N7 | 115.6° | 119.7° |
| C4 | C5 | N6 | 122.7° | 120.6° |
| C5 | C4 | H4 | 120.1° | 120.5° |
| C8 | N7 | C5 | 124.8° | 120.0° |
| N7 | C8 | H5 | 111.5° | 109.5° |
| N7 | C8 | H6 | 111.5° | 109.5° |
| C8 | N7 | H12 | 105.5° | 120.0° |
| N7 | C5 | N6 | 121.8° | 119.7° |
| C5 | N7 | H12 | 105.5° | 120.0° |
| C3 | C1 | C2 | 121.5° | 119.3° |
| C3 | C1 | H1 | 119.3° | 120.4° |
| C1 | C3 | H3 | 121.0° | 120.8° |
| C5 | N6 | C2 | 118.6° | 121.7° |
| C1 | C2 | N6 | 119.4° | 120.9° |
| C2 | C1 | H1 | 119.2° | 120.3° |
| C1 | C2 | H2 | 120.3° | 119.5° |
| N6 | C2 | H2 | 120.3° | 119.6° |
| H5 | C8 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | C9 | 0.8° | 0.0° |
| C11 | C12 | C13 | H9 | 179.9° | 179.9° |
| C12 | C11 | C10 | H11 | 179.2° | 179.7° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C14 | H9 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 0.8° | 0.0° |
| C13 | C12 | C11 | H7 | 179.9° | 179.7° |
| C12 | C13 | C14 | H10 | 179.2° | 180.0° |
| C11 | C10 | C9 | H11 | 180.0° | 179.7° |
| C11 | C10 | C9 | C14 | 1.5° | 0.0° |
| C11 | C10 | C9 | C8 | 178.7° | 179.9° |
| C10 | C11 | C12 | H8 | 179.9° | 180.0° |
| C13 | C14 | C9 | C10 | 1.5° | 0.0° |
| C13 | C14 | C9 | H10 | 180.0° | 180.0° |
| C13 | C14 | C9 | C8 | 178.4° | 179.9° |
| C14 | C13 | C12 | H8 | 179.9° | 180.0° |
| C10 | C9 | C14 | C8 | 177.0° | 180.0° |
| C10 | C9 | C8 | N7 | 47.8° | 90.0° |
| C10 | C9 | C8 | H5 | 166.5° | 29.9° |
| C10 | C9 | C8 | H6 | 70.8° | 150.0° |
| C9 | C10 | C11 | H7 | 179.2° | 179.7° |
| C10 | C9 | C14 | H10 | 178.5° | 180.0° |
| C14 | C9 | C8 | N7 | 129.2° | 90.0° |
| C14 | C9 | C8 | H5 | 10.6° | 150.0° |
| C14 | C9 | C8 | H6 | 112.1° | 30.0° |
| C9 | C14 | C13 | H9 | 179.2° | 179.9° |
| C14 | C9 | C10 | H11 | 178.5° | 179.7° |
| C9 | C8 | N7 | H5 | 118.6° | 119.9° |
| C9 | C8 | N7 | H6 | 118.6° | 120.0° |
| C9 | C8 | N7 | C5 | 133.6° | 180.0° |
| C9 | C8 | H5 | H6 | 123.8° | 120.0° |
| C8 | C9 | C14 | H10 | 1.5° | 0.0° |
| C8 | C9 | C10 | H11 | 1.3° | 0.3° |
| C9 | C8 | N7 | H12 | 104.4° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | N7 | 178.9° | 180.0° |
| C4 | C3 | C1 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 0.4° | 0.2° |
| C4 | C3 | C1 | C2 | 0.2° | 0.0° |
| C4 | C3 | C1 | H1 | 179.8° | 179.7° |
| C4 | C5 | N7 | C8 | 180.0° | 0.0° |
| C4 | C5 | N7 | N6 | 179.4° | 179.8° |
| C5 | C4 | C3 | C1 | 0.5° | 0.0° |
| C4 | C5 | N6 | C2 | 0.1° | 0.5° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C4 | C5 | N7 | H12 | 57.9° | 179.9° |
| C8 | N7 | C5 | H12 | 122.1° | 180.0° |
| C8 | N7 | C5 | N6 | 0.6° | 179.8° |
| N7 | C8 | H5 | H6 | 123.9° | 120.1° |
| N7 | C5 | N6 | C2 | 179.2° | 179.7° |
| N7 | C5 | C4 | H4 | 1.1° | 0.1° |
| C5 | N7 | C8 | H5 | 14.9° | 60.0° |
| C5 | N7 | C8 | H6 | 107.8° | 60.1° |
| C3 | C1 | C2 | H1 | 180.0° | 179.7° |
| C3 | C1 | C2 | N6 | 0.1° | 0.3° |
| C3 | C1 | C2 | H2 | 179.9° | 179.7° |
| C1 | C3 | C4 | H4 | 179.5° | 180.0° |
| C5 | N6 | C2 | C1 | 0.1° | 0.5° |
| C5 | N6 | C2 | H2 | 179.9° | 179.4° |
| N6 | C5 | C4 | H4 | 179.5° | 179.7° |
| N6 | C5 | N7 | H12 | 121.4° | 0.2° |
| C1 | C2 | N6 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | H3 | 179.8° | 180.0° |
| N6 | C2 | C1 | H1 | 179.9° | 179.9° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H1 | C1 | C3 | H3 | 0.2° | 0.3° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| H5 | C8 | N7 | H12 | 137.0° | 120.0° |
| H6 | C8 | N7 | H12 | 14.3° | 119.9° |
| H7 | C11 | C12 | H8 | 0.1° | 0.3° |
| H7 | C11 | C10 | H11 | 0.8° | 0.0° |
| H8 | C12 | C13 | H9 | 0.1° | 0.1° |
| H9 | C13 | C14 | H10 | 0.8° | 0.0° |
