A1D9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C4 | sing | 1.48Å | 1.49Å | |
| C4 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C12 | sing | 1.51Å | 1.50Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 119.3° | 119.4° |
| C9 | C10 | N2 | 120.6° | 120.9° |
| C9 | C10 | H3 | 119.7° | 119.6° |
| C10 | C9 | H12 | 120.3° | 120.3° |
| C9 | C8 | C11 | 119.8° | 120.8° |
| C9 | C8 | C7 | 119.6° | 118.5° |
| C8 | C9 | H12 | 120.3° | 120.3° |
| C10 | N2 | C6 | 121.4° | 121.6° |
| N2 | C10 | H3 | 119.7° | 119.5° |
| C11 | C8 | C7 | 120.6° | 120.8° |
| C8 | C11 | H5 | 109.5° | 109.4° |
| C8 | C11 | H6 | 109.5° | 109.5° |
| C8 | C11 | H7 | 109.4° | 109.5° |
| C8 | C7 | C6 | 118.7° | 119.1° |
| C8 | C7 | H2 | 120.6° | 120.4° |
| N2 | C6 | C7 | 120.3° | 120.5° |
| N2 | C6 | C4 | 117.8° | 119.8° |
| C7 | C6 | C4 | 121.8° | 119.7° |
| C6 | C7 | H2 | 120.6° | 120.5° |
| C6 | C4 | N1 | 118.0° | 119.8° |
| C6 | C4 | C3 | 121.3° | 119.7° |
| N1 | C4 | C3 | 120.7° | 120.5° |
| C4 | N1 | C5 | 120.7° | 121.6° |
| C4 | C3 | C2 | 119.1° | 119.1° |
| C4 | C3 | H11 | 120.4° | 120.5° |
| N1 | C5 | C1 | 120.9° | 120.9° |
| N1 | C5 | H1 | 119.5° | 119.5° |
| C3 | C2 | C1 | 119.2° | 118.5° |
| C3 | C2 | C12 | 120.3° | 120.8° |
| C2 | C3 | H11 | 120.5° | 120.4° |
| C5 | C1 | C2 | 119.3° | 119.4° |
| C1 | C5 | H1 | 119.5° | 119.6° |
| C5 | C1 | H4 | 120.4° | 120.3° |
| C1 | C2 | C12 | 120.4° | 120.8° |
| C2 | C1 | H4 | 120.4° | 120.3° |
| C2 | C12 | H8 | 109.5° | 109.4° |
| C2 | C12 | H9 | 109.5° | 109.5° |
| C2 | C12 | H10 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H12 | 180.0° | 179.7° |
| C9 | C10 | N2 | H3 | 180.0° | 179.3° |
| C10 | C9 | C8 | C11 | 179.8° | 180.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C10 | N2 | C6 | 0.0° | 0.6° |
| C8 | C9 | C10 | N2 | 0.4° | 0.3° |
| C9 | C8 | C11 | C7 | 179.8° | 180.0° |
| C9 | C8 | C7 | C6 | 0.7° | 0.0° |
| C9 | C8 | C7 | H2 | 179.3° | 180.0° |
| C8 | C9 | C10 | H3 | 179.6° | 179.6° |
| C9 | C8 | C11 | H5 | 89.9° | 90.0° |
| C9 | C8 | C11 | H6 | 150.1° | 30.0° |
| C9 | C8 | C11 | H7 | 30.1° | 150.0° |
| C10 | N2 | C6 | C7 | 0.8° | 0.6° |
| C10 | N2 | C6 | C4 | 178.8° | 179.7° |
| N2 | C10 | C9 | H12 | 179.6° | 180.0° |
| C11 | C8 | C7 | C6 | 179.5° | 180.0° |
| C11 | C8 | C7 | H2 | 0.5° | 0.0° |
| C8 | C11 | H5 | H6 | 120.0° | 120.0° |
| C8 | C11 | H5 | H7 | 120.0° | 120.0° |
| C8 | C11 | H6 | H7 | 119.9° | 120.0° |
| C11 | C8 | C9 | H12 | 0.2° | 0.3° |
| C8 | C7 | C6 | N2 | 1.1° | 0.3° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C8 | C7 | C6 | C4 | 179.0° | 180.0° |
| C7 | C8 | C11 | H5 | 89.9° | 90.0° |
| C7 | C8 | C11 | H6 | 30.1° | 150.0° |
| C7 | C8 | C11 | H7 | 150.1° | 30.0° |
| C7 | C8 | C9 | H12 | 180.0° | 179.7° |
| N2 | C6 | C7 | C4 | 177.9° | 179.7° |
| N2 | C6 | C4 | N1 | 2.0° | 179.7° |
| N2 | C6 | C4 | C3 | 176.2° | 0.2° |
| N2 | C6 | C7 | H2 | 178.9° | 179.7° |
| C6 | N2 | C10 | H3 | 180.0° | 180.0° |
| C7 | C6 | C4 | N1 | 180.0° | 0.0° |
| C7 | C6 | C4 | C3 | 1.7° | 180.0° |
| C6 | C4 | N1 | C3 | 178.2° | 179.9° |
| C6 | C4 | N1 | C5 | 179.7° | 180.0° |
| C6 | C4 | C3 | C2 | 178.9° | 180.0° |
| C4 | C6 | C7 | H2 | 1.0° | 0.0° |
| C6 | C4 | C3 | H11 | 1.1° | 0.1° |
| N1 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | N1 | C5 | C1 | 1.3° | 0.1° |
| C4 | N1 | C5 | H1 | 178.7° | 180.0° |
| N1 | C4 | C3 | H11 | 179.3° | 180.0° |
| C3 | C4 | N1 | C5 | 1.4° | 0.1° |
| C4 | C3 | C2 | H11 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | C12 | 179.5° | 180.0° |
| N1 | C5 | C1 | H1 | 180.0° | 179.9° |
| N1 | C5 | C1 | C2 | 0.4° | 0.1° |
| N1 | C5 | C1 | H4 | 179.6° | 179.9° |
| C3 | C2 | C1 | C5 | 0.4° | 0.0° |
| C3 | C2 | C1 | C12 | 179.3° | 180.0° |
| C3 | C2 | C1 | H4 | 179.6° | 180.0° |
| C3 | C2 | C12 | H8 | 90.3° | 90.0° |
| C3 | C2 | C12 | H9 | 149.6° | 30.0° |
| C3 | C2 | C12 | H10 | 29.7° | 150.0° |
| C5 | C1 | C2 | H4 | 180.0° | 180.0° |
| C5 | C1 | C2 | C12 | 179.7° | 180.0° |
| C2 | C1 | C5 | H1 | 179.6° | 180.0° |
| C1 | C2 | C12 | H8 | 90.3° | 90.0° |
| C1 | C2 | C12 | H9 | 29.7° | 150.0° |
| C1 | C2 | C12 | H10 | 149.6° | 30.0° |
| C1 | C2 | C3 | H11 | 179.8° | 180.0° |
| C12 | C2 | C1 | H4 | 0.3° | 0.0° |
| C2 | C12 | H8 | H9 | 120.0° | 120.0° |
| C2 | C12 | H8 | H10 | 120.0° | 120.0° |
| C2 | C12 | H9 | H10 | 120.0° | 120.0° |
| C12 | C2 | C3 | H11 | 0.5° | 0.0° |
| H1 | C5 | C1 | H4 | 0.4° | 0.0° |
| H3 | C10 | C9 | H12 | 0.4° | 0.7° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
