67N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.46Å | |
| C3 | N2 | sing | 1.37Å | 1.37Å | |
| C3 | C4 | doub | 1.35Å | 1.35Å | |
| N2 | C11 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.46Å | 1.46Å | |
| C11 | O12 | doub | 1.22Å | 1.24Å | |
| C11 | C10 | sing | 1.41Å | 1.41Å | |
| C5 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | N8 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.35Å | Aromatic |
| N8 | C7 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| N8 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 118.9° | 118.9° |
| C1 | N2 | C11 | 118.0° | 118.9° |
| N2 | C1 | H5 | 109.5° | 109.5° |
| N2 | C1 | H6 | 109.5° | 109.4° |
| N2 | C1 | H7 | 109.5° | 109.4° |
| N2 | C3 | C4 | 121.9° | 121.2° |
| C3 | N2 | C11 | 123.1° | 122.2° |
| N2 | C3 | H4 | 119.0° | 119.4° |
| C3 | C4 | C5 | 118.0° | 118.9° |
| C3 | C4 | H1 | 121.0° | 120.5° |
| C4 | C3 | H4 | 119.0° | 119.4° |
| N2 | C11 | O12 | 120.7° | 119.9° |
| N2 | C11 | C10 | 117.9° | 120.3° |
| C4 | C5 | C10 | 118.3° | 118.6° |
| C4 | C5 | C6 | 134.9° | 134.5° |
| C5 | C4 | H1 | 121.0° | 120.6° |
| O12 | C11 | C10 | 121.4° | 119.8° |
| C11 | C10 | C5 | 120.7° | 118.8° |
| C11 | C10 | N8 | 132.1° | 134.2° |
| C10 | C5 | C6 | 106.8° | 106.8° |
| C5 | C10 | N8 | 107.2° | 107.0° |
| C5 | C6 | C7 | 107.4° | 107.7° |
| C5 | C6 | H2 | 126.3° | 126.1° |
| C10 | N8 | C7 | 108.9° | 108.9° |
| C10 | N8 | H9 | 125.6° | 125.5° |
| C6 | C7 | N8 | 109.7° | 109.5° |
| C7 | C6 | H2 | 126.3° | 126.2° |
| C6 | C7 | H3 | 125.1° | 125.3° |
| N8 | C7 | H3 | 125.2° | 125.3° |
| C7 | N8 | H9 | 125.5° | 125.6° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | C11 | 179.5° | 179.8° |
| C1 | N2 | C3 | C4 | 179.6° | 179.7° |
| C1 | N2 | C11 | O12 | 0.8° | 0.1° |
| C1 | N2 | C11 | C10 | 179.2° | 179.5° |
| C1 | N2 | C3 | H4 | 0.4° | 0.2° |
| N2 | C1 | H5 | H6 | 120.0° | 119.9° |
| N2 | C1 | H5 | H7 | 120.0° | 120.0° |
| N2 | C1 | H6 | H7 | 120.0° | 119.9° |
| N2 | C3 | C4 | H4 | 180.0° | 179.5° |
| N2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | N2 | C11 | O12 | 179.6° | 179.7° |
| C3 | N2 | C11 | C10 | 0.3° | 0.8° |
| N2 | C3 | C4 | H1 | 179.4° | 179.8° |
| C3 | N2 | C1 | H5 | 180.0° | 90.3° |
| C3 | N2 | C1 | H6 | 60.0° | 29.7° |
| C3 | N2 | C1 | H7 | 60.0° | 149.7° |
| C4 | C3 | N2 | C11 | 0.1° | 0.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C10 | 0.6° | 0.2° |
| C3 | C4 | C5 | C6 | 179.5° | 179.7° |
| N2 | C11 | O12 | C10 | 179.9° | 179.6° |
| N2 | C11 | C10 | C5 | 0.2° | 0.5° |
| N2 | C11 | C10 | N8 | 179.1° | 179.5° |
| C11 | N2 | C3 | H4 | 179.9° | 180.0° |
| C11 | N2 | C1 | H5 | 0.4° | 90.0° |
| C11 | N2 | C1 | H6 | 119.6° | 150.0° |
| C11 | N2 | C1 | H7 | 120.4° | 30.1° |
| C4 | C5 | C10 | C11 | 0.3° | 0.0° |
| C4 | C5 | C10 | C6 | 179.9° | 179.9° |
| C4 | C5 | C10 | N8 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 179.5° | 179.9° |
| C4 | C5 | C6 | H2 | 0.5° | 0.1° |
| C5 | C4 | C3 | H4 | 179.5° | 179.5° |
| O12 | C11 | C10 | C5 | 179.8° | 179.9° |
| O12 | C11 | C10 | N8 | 1.0° | 0.1° |
| C11 | C10 | C5 | N8 | 179.4° | 180.0° |
| C11 | C10 | C5 | C6 | 179.8° | 179.9° |
| C11 | C10 | N8 | C7 | 179.3° | 179.9° |
| C11 | C10 | N8 | H9 | 0.7° | 0.0° |
| C10 | C5 | C6 | C7 | 0.6° | 0.0° |
| C5 | C10 | N8 | C7 | 0.0° | 0.0° |
| C10 | C5 | C4 | H1 | 179.3° | 180.0° |
| C10 | C5 | C6 | H2 | 179.3° | 180.0° |
| C5 | C10 | N8 | H9 | 180.0° | 180.0° |
| C6 | C5 | C10 | N8 | 0.4° | 0.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | N8 | 0.7° | 0.0° |
| C6 | C5 | C4 | H1 | 0.5° | 0.1° |
| C5 | C6 | C7 | H3 | 179.3° | 179.9° |
| C10 | N8 | C7 | C6 | 0.4° | 0.0° |
| C10 | N8 | C7 | H9 | 180.0° | 180.0° |
| C10 | N8 | C7 | H3 | 179.5° | 180.0° |
| C6 | C7 | N8 | H3 | 180.0° | 180.0° |
| C6 | C7 | N8 | H9 | 179.6° | 180.0° |
| N8 | C7 | C6 | H2 | 179.3° | 180.0° |
| H1 | C4 | C3 | H4 | 0.6° | 0.3° |
| H2 | C6 | C7 | H3 | 0.7° | 0.0° |
| H3 | C7 | N8 | H9 | 0.4° | 0.1° |
| H5 | C1 | H6 | H7 | 120.0° | 120.1° |
