9FG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | N1 | sing | 1.46Å | 1.46Å | |
| O1 | C9 | sing | 1.36Å | 1.37Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C12 | trip | 1.14Å | 1.16Å | |
| N1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C5 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | C2 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.48Å | 1.48Å | |
| C6 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | F1 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 119.8° | 120.1° |
| C8 | C7 | C6 | 121.0° | 119.9° |
| C7 | C8 | H2 | 120.1° | 119.9° |
| C8 | C7 | H3 | 119.5° | 120.0° |
| C8 | C9 | O1 | 118.6° | 119.9° |
| C8 | C9 | C10 | 120.2° | 120.2° |
| C9 | C8 | H2 | 120.1° | 120.0° |
| C7 | C6 | C5 | 119.5° | 120.1° |
| C7 | C6 | C11 | 117.3° | 119.8° |
| C6 | C7 | H3 | 119.5° | 120.1° |
| C1 | N1 | C2 | 122.7° | 125.7° |
| C1 | N1 | C5 | 127.3° | 125.7° |
| N1 | C1 | H4 | 109.5° | 109.5° |
| N1 | C1 | H5 | 109.5° | 109.5° |
| N1 | C1 | H6 | 109.5° | 109.5° |
| O1 | C9 | C10 | 121.3° | 119.9° |
| C9 | O1 | H9 | 109.5° | 114.0° |
| C9 | C10 | C11 | 119.5° | 120.1° |
| C9 | C10 | H1 | 120.3° | 120.0° |
| N2 | C12 | C2 | 178.1° | 180.0° |
| C2 | N1 | C5 | 110.0° | 108.5° |
| N1 | C2 | C12 | 124.9° | 126.0° |
| N1 | C2 | C3 | 108.0° | 108.0° |
| N1 | C5 | C6 | 126.6° | 125.9° |
| N1 | C5 | C4 | 105.6° | 108.3° |
| C12 | C2 | C3 | 127.1° | 126.0° |
| C5 | C6 | C11 | 123.2° | 120.1° |
| C6 | C5 | C4 | 127.8° | 125.8° |
| C6 | C11 | C10 | 122.3° | 119.9° |
| C6 | C11 | F1 | 120.9° | 120.1° |
| C2 | C3 | C4 | 107.4° | 107.5° |
| C2 | C3 | H8 | 126.3° | 126.3° |
| C5 | C4 | C3 | 109.0° | 107.7° |
| C5 | C4 | H7 | 125.5° | 126.2° |
| C10 | C11 | F1 | 116.8° | 120.0° |
| C11 | C10 | H1 | 120.3° | 120.0° |
| C3 | C4 | H7 | 125.5° | 126.1° |
| C4 | C3 | H8 | 126.3° | 126.2° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H6 | 109.5° | 109.4° |
| H5 | C1 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H2 | 180.0° | 179.7° |
| C8 | C7 | C6 | H3 | 180.0° | 179.7° |
| C7 | C8 | C9 | O1 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C8 | C7 | C6 | C5 | 179.4° | 179.9° |
| C8 | C7 | C6 | C11 | 0.5° | 0.6° |
| C9 | C8 | C7 | C6 | 0.5° | 0.3° |
| C8 | C9 | O1 | C10 | 179.8° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | H1 | 179.8° | 179.9° |
| C9 | C8 | C7 | H3 | 179.5° | 180.0° |
| C8 | C9 | O1 | H9 | 180.0° | 90.0° |
| C7 | C6 | C5 | N1 | 131.8° | 47.6° |
| C7 | C6 | C5 | C11 | 178.9° | 179.5° |
| C7 | C6 | C5 | C4 | 45.8° | 132.4° |
| C7 | C6 | C11 | C10 | 0.3° | 0.6° |
| C7 | C6 | C11 | F1 | 179.7° | 179.7° |
| C6 | C7 | C8 | H2 | 179.5° | 180.0° |
| C1 | N1 | C2 | C5 | 179.7° | 179.7° |
| C1 | N1 | C2 | C12 | 0.0° | 0.2° |
| C1 | N1 | C5 | C6 | 1.5° | 0.2° |
| C1 | N1 | C2 | C3 | 180.0° | 179.7° |
| C1 | N1 | C5 | C4 | 179.6° | 179.7° |
| N1 | C1 | H4 | H5 | 120.0° | 120.0° |
| N1 | C1 | H4 | H6 | 120.0° | 120.0° |
| N1 | C1 | H5 | H6 | 120.0° | 120.0° |
| O1 | C9 | C10 | C11 | 179.9° | 180.0° |
| O1 | C9 | C10 | H1 | 0.0° | 0.0° |
| O1 | C9 | C8 | H2 | 0.2° | 0.3° |
| C9 | C10 | C11 | C6 | 0.2° | 0.3° |
| C9 | C10 | C11 | H1 | 180.0° | 180.0° |
| C9 | C10 | C11 | F1 | 179.8° | 180.0° |
| C10 | C9 | C8 | H2 | 179.6° | 179.7° |
| C10 | C9 | O1 | H9 | 0.2° | 90.0° |
| N2 | C12 | C2 | N1 | 2.6° | 34.5° |
| N2 | C12 | C2 | C3 | 177.5° | 145.5° |
| N1 | C2 | C12 | C3 | 179.9° | 180.0° |
| C2 | N1 | C5 | C6 | 178.8° | 180.0° |
| C2 | N1 | C5 | C4 | 0.7° | 0.0° |
| N1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C1 | H4 | 180.0° | 95.1° |
| C2 | N1 | C1 | H5 | 60.0° | 144.9° |
| C2 | N1 | C1 | H6 | 60.0° | 24.9° |
| N1 | C2 | C3 | H8 | 179.8° | 180.0° |
| C5 | N1 | C2 | C12 | 179.7° | 180.0° |
| N1 | C5 | C6 | C4 | 177.6° | 180.0° |
| N1 | C5 | C6 | C11 | 47.1° | 133.0° |
| C5 | N1 | C2 | C3 | 0.3° | 0.0° |
| N1 | C5 | C4 | C3 | 0.9° | 0.0° |
| C5 | N1 | C1 | H4 | 0.3° | 84.6° |
| C5 | N1 | C1 | H5 | 120.3° | 35.4° |
| C5 | N1 | C1 | H6 | 119.7° | 155.4° |
| N1 | C5 | C4 | H7 | 179.1° | 180.0° |
| C12 | C2 | C3 | C4 | 179.7° | 180.0° |
| C12 | C2 | C3 | H8 | 0.3° | 0.1° |
| C5 | C6 | C11 | C10 | 179.2° | 180.0° |
| C5 | C6 | C11 | F1 | 0.7° | 0.2° |
| C6 | C5 | C4 | C3 | 178.9° | 179.9° |
| C5 | C6 | C7 | H3 | 0.6° | 0.2° |
| C6 | C5 | C4 | H7 | 1.1° | 0.1° |
| C11 | C6 | C5 | C4 | 135.3° | 47.1° |
| C6 | C11 | C10 | F1 | 180.0° | 179.8° |
| C6 | C11 | C10 | H1 | 179.8° | 179.8° |
| C11 | C6 | C7 | H3 | 179.6° | 179.7° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C2 | C3 | C4 | H7 | 179.3° | 180.0° |
| C5 | C4 | C3 | H7 | 180.0° | 180.0° |
| C5 | C4 | C3 | H8 | 179.3° | 180.0° |
| F1 | C11 | C10 | H1 | 0.2° | 0.0° |
| H2 | C8 | C7 | H3 | 0.5° | 0.3° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | C3 | H8 | 0.7° | 0.0° |
