6QF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.36Å | 1.34Å | Aromatic |
| C15 | C9 | sing | 1.41Å | 1.45Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| O19 | C5 | sing | 1.36Å | 1.35Å | |
| N8 | C9 | doub | 1.33Å | 1.37Å | Aromatic |
| N8 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| C13 | C11 | doub | 1.36Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.45Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.45Å | Aromatic |
| C10 | N7 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | N7 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.46Å | Aromatic |
| C1 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O19 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C9 | 123.4° | 119.5° |
| C15 | C14 | C13 | 119.5° | 121.8° |
| C14 | C15 | H15 | 118.3° | 120.3° |
| C15 | C14 | H14 | 120.3° | 119.1° |
| C15 | C9 | N8 | 122.6° | 121.1° |
| C15 | C9 | C10 | 117.0° | 118.7° |
| C9 | C15 | H15 | 118.3° | 120.2° |
| C14 | C13 | C11 | 120.1° | 121.7° |
| C14 | C13 | H13 | 120.0° | 119.1° |
| C13 | C14 | H14 | 120.2° | 119.1° |
| O19 | C5 | C4 | 116.2° | 120.3° |
| O19 | C5 | C6 | 121.1° | 120.2° |
| C5 | O19 | H3 | 109.5° | 114.0° |
| C9 | N8 | C4 | 118.8° | 119.5° |
| N8 | C9 | C10 | 120.4° | 120.2° |
| N8 | C4 | C5 | 123.0° | 121.1° |
| N8 | C4 | C3 | 120.4° | 120.3° |
| C9 | C10 | C11 | 117.0° | 118.7° |
| C9 | C10 | N7 | 120.6° | 120.2° |
| C4 | C5 | C6 | 122.7° | 119.5° |
| C5 | C4 | C3 | 116.6° | 118.7° |
| C5 | C6 | C1 | 119.8° | 121.6° |
| C5 | C6 | H6 | 120.1° | 119.2° |
| C13 | C11 | C10 | 123.0° | 119.6° |
| C11 | C13 | H13 | 120.0° | 119.2° |
| C13 | C11 | H11 | 118.5° | 120.2° |
| C4 | C3 | N7 | 120.4° | 120.2° |
| C4 | C3 | C2 | 117.4° | 118.7° |
| C11 | C10 | N7 | 122.4° | 121.1° |
| C10 | C11 | H11 | 118.5° | 120.2° |
| C10 | N7 | C3 | 119.3° | 119.5° |
| C6 | C1 | C2 | 120.0° | 121.8° |
| C1 | C6 | H6 | 120.1° | 119.2° |
| C6 | C1 | H1 | 120.0° | 119.1° |
| N7 | C3 | C2 | 122.2° | 121.0° |
| C3 | C2 | C1 | 123.5° | 119.7° |
| C3 | C2 | H2 | 118.2° | 120.1° |
| C2 | C1 | H1 | 120.0° | 119.1° |
| C1 | C2 | H2 | 118.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C9 | H15 | 180.0° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.0° |
| C14 | C15 | C9 | N8 | 180.0° | 180.0° |
| C14 | C15 | C9 | C10 | 0.1° | 0.4° |
| C15 | C14 | C13 | C11 | 0.1° | 1.4° |
| C15 | C14 | C13 | H13 | 180.0° | 179.7° |
| C9 | C15 | C14 | C13 | 0.1° | 1.0° |
| C15 | C9 | N8 | C10 | 179.9° | 179.5° |
| C15 | C9 | N8 | C4 | 179.5° | 180.0° |
| C15 | C9 | C10 | C11 | 0.0° | 0.1° |
| C15 | C9 | C10 | N7 | 179.8° | 179.7° |
| C9 | C15 | C14 | H14 | 179.9° | 180.0° |
| C14 | C13 | C11 | H13 | 180.0° | 179.0° |
| C14 | C13 | C11 | C10 | 0.1° | 1.0° |
| C13 | C14 | C15 | H15 | 180.0° | 178.9° |
| C14 | C13 | C11 | H11 | 179.9° | 178.9° |
| O19 | C5 | C4 | N8 | 0.0° | 0.2° |
| O19 | C5 | C4 | C6 | 179.5° | 180.0° |
| O19 | C5 | C4 | C3 | 180.0° | 180.0° |
| O19 | C5 | C6 | C1 | 179.9° | 180.0° |
| O19 | C5 | C6 | H6 | 0.1° | 0.0° |
| C9 | N8 | C4 | C5 | 179.5° | 179.7° |
| C9 | N8 | C4 | C3 | 0.5° | 0.1° |
| N8 | C9 | C10 | C11 | 179.9° | 179.7° |
| N8 | C9 | C10 | N7 | 0.3° | 0.8° |
| N8 | C9 | C15 | H15 | 0.1° | 0.0° |
| C4 | N8 | C9 | C10 | 0.7° | 0.5° |
| N8 | C4 | C5 | C3 | 179.9° | 179.8° |
| N8 | C4 | C5 | C6 | 179.4° | 179.7° |
| N8 | C4 | C3 | N7 | 0.0° | 0.2° |
| N8 | C4 | C3 | C2 | 179.6° | 179.8° |
| C9 | C10 | C11 | C13 | 0.1° | 0.4° |
| C9 | C10 | C11 | N7 | 179.8° | 179.5° |
| C9 | C10 | N7 | C3 | 0.3° | 0.5° |
| C10 | C9 | C15 | H15 | 179.9° | 179.5° |
| C9 | C10 | C11 | H11 | 179.9° | 179.5° |
| C4 | C5 | C6 | C1 | 0.5° | 0.0° |
| C5 | C4 | C3 | N7 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C4 | C5 | O19 | H3 | 180.0° | 89.9° |
| C6 | C5 | C4 | C3 | 0.5° | 0.1° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C5 | C6 | C1 | H1 | 179.7° | 180.0° |
| C6 | C5 | O19 | H3 | 0.5° | 90.0° |
| C13 | C11 | C10 | H11 | 180.0° | 180.0° |
| C13 | C11 | C10 | N7 | 179.7° | 180.0° |
| C11 | C13 | C14 | H14 | 179.9° | 179.7° |
| C4 | C3 | N7 | C10 | 0.4° | 0.1° |
| C4 | C3 | N7 | C2 | 179.5° | 179.9° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C11 | C10 | N7 | C3 | 179.5° | 180.0° |
| C10 | C11 | C13 | H13 | 179.9° | 180.0° |
| C10 | N7 | C3 | C2 | 180.0° | 180.0° |
| N7 | C10 | C11 | H11 | 0.3° | 0.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| N7 | C3 | C2 | C1 | 179.8° | 179.9° |
| N7 | C3 | C2 | H2 | 0.2° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C2 | C1 | C6 | H6 | 179.7° | 180.0° |
| H6 | C6 | C1 | H1 | 0.3° | 0.0° |
| H13 | C13 | C11 | H11 | 0.1° | 0.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.7° |
| H15 | C15 | C14 | H14 | 0.0° | 0.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.0° |
