6RQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N10 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | N9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | N12 | sing | 1.38Å | 1.42Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| N12 | H11 | sing | 0.97Å | 1.00Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.2° | 119.8° |
| C1 | C2 | C7 | 120.5° | 119.8° |
| C2 | C1 | H5 | 109.5° | 109.4° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C3 | C2 | C7 | 120.3° | 120.5° |
| C2 | C3 | C4 | 119.0° | 119.8° |
| C2 | C3 | H8 | 120.5° | 120.1° |
| C2 | C7 | C8 | 120.3° | 119.8° |
| C2 | C7 | C6 | 120.4° | 120.4° |
| C3 | C4 | N10 | 130.5° | 133.4° |
| C3 | C4 | C5 | 120.2° | 119.5° |
| C4 | C3 | H8 | 120.5° | 120.1° |
| C8 | C7 | C6 | 119.3° | 119.8° |
| C7 | C8 | H2 | 109.5° | 109.4° |
| C7 | C8 | H3 | 109.5° | 109.4° |
| C7 | C8 | H4 | 109.4° | 109.5° |
| C7 | C6 | C5 | 118.1° | 119.9° |
| C7 | C6 | H1 | 120.9° | 120.1° |
| N10 | C4 | C5 | 109.4° | 107.1° |
| C4 | N10 | C11 | 106.3° | 109.6° |
| C4 | C5 | C6 | 122.0° | 119.9° |
| C4 | C5 | N9 | 104.8° | 106.1° |
| C6 | C5 | N9 | 133.3° | 134.0° |
| C5 | C6 | H1 | 121.0° | 120.0° |
| N10 | C11 | N9 | 111.1° | 109.9° |
| N10 | C11 | N12 | 125.8° | 125.1° |
| C5 | N9 | C11 | 108.4° | 107.3° |
| C5 | N9 | H9 | 125.8° | 126.4° |
| N9 | C11 | N12 | 123.1° | 125.1° |
| C11 | N9 | H9 | 125.8° | 126.4° |
| C11 | N12 | H11 | 109.5° | 120.0° |
| C11 | N12 | H12 | 109.5° | 120.0° |
| H2 | C8 | H3 | 109.4° | 109.5° |
| H2 | C8 | H4 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.4° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H11 | N12 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 179.5° | 179.4° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C1 | C2 | C7 | C8 | 0.1° | 0.3° |
| C1 | C2 | C7 | C6 | 179.9° | 179.7° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | C3 | H8 | 0.1° | 0.6° |
| C2 | C3 | C4 | H8 | 180.0° | 179.4° |
| C3 | C2 | C7 | C8 | 179.6° | 179.7° |
| C3 | C2 | C7 | C6 | 0.4° | 0.3° |
| C2 | C3 | C4 | N10 | 179.7° | 179.7° |
| C2 | C3 | C4 | C5 | 0.5° | 0.6° |
| C3 | C2 | C1 | H5 | 90.2° | 90.1° |
| C3 | C2 | C1 | H6 | 149.8° | 150.0° |
| C3 | C2 | C1 | H7 | 29.8° | 29.9° |
| C7 | C2 | C3 | C4 | 0.6° | 0.6° |
| C2 | C7 | C8 | C6 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.0° |
| C2 | C7 | C6 | H1 | 180.0° | 180.0° |
| C2 | C7 | C8 | H2 | 90.0° | 90.0° |
| C2 | C7 | C8 | H3 | 150.0° | 30.0° |
| C2 | C7 | C8 | H4 | 30.0° | 150.0° |
| C7 | C2 | C1 | H5 | 90.2° | 90.5° |
| C7 | C2 | C1 | H6 | 29.7° | 29.4° |
| C7 | C2 | C1 | H7 | 149.7° | 149.5° |
| C7 | C2 | C3 | H8 | 179.4° | 180.0° |
| C3 | C4 | N10 | C5 | 179.9° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | N10 | C11 | 179.9° | 179.7° |
| C3 | C4 | C5 | N9 | 179.9° | 179.7° |
| C8 | C7 | C6 | C5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H1 | 0.0° | 0.0° |
| C7 | C8 | H2 | H3 | 120.0° | 120.0° |
| C7 | C8 | H2 | H4 | 120.0° | 120.0° |
| C7 | C8 | H3 | H4 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C7 | C6 | C5 | N9 | 179.8° | 180.0° |
| C6 | C7 | C8 | H2 | 90.0° | 90.0° |
| C6 | C7 | C8 | H3 | 30.0° | 150.0° |
| C6 | C7 | C8 | H4 | 150.0° | 30.0° |
| N10 | C4 | C5 | C6 | 180.0° | 179.9° |
| N10 | C4 | C5 | N9 | 0.1° | 0.0° |
| C4 | N10 | C11 | N9 | 0.4° | 0.0° |
| C4 | N10 | C11 | N12 | 179.5° | 180.0° |
| N10 | C4 | C3 | H8 | 0.3° | 0.3° |
| C4 | C5 | C6 | N9 | 179.9° | 180.0° |
| C5 | C4 | N10 | C11 | 0.3° | 0.0° |
| C4 | C5 | N9 | C11 | 0.2° | 0.0° |
| C4 | C5 | C6 | H1 | 179.9° | 180.0° |
| C5 | C4 | C3 | H8 | 179.6° | 180.0° |
| C4 | C5 | N9 | H9 | 179.8° | 180.0° |
| C6 | C5 | N9 | C11 | 179.8° | 179.9° |
| C6 | C5 | N9 | H9 | 0.2° | 0.0° |
| N10 | C11 | N9 | C5 | 0.3° | 0.0° |
| N10 | C11 | N9 | N12 | 179.8° | 180.0° |
| N10 | C11 | N9 | H9 | 179.6° | 179.9° |
| N10 | C11 | N12 | H11 | 0.0° | 180.0° |
| N10 | C11 | N12 | H12 | 120.0° | 0.0° |
| C5 | N9 | C11 | H9 | 180.0° | 179.9° |
| C5 | N9 | C11 | N12 | 179.5° | 180.0° |
| N9 | C5 | C6 | H1 | 0.2° | 0.0° |
| N9 | C11 | N12 | H11 | 179.8° | 0.0° |
| N9 | C11 | N12 | H12 | 60.2° | 180.0° |
| N12 | C11 | N9 | H9 | 0.5° | 0.0° |
| C11 | N12 | H11 | H12 | 120.0° | 180.0° |
| H2 | C8 | H3 | H4 | 120.0° | 120.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
