H4G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| F1 | C13 | sing | 1.35Å | 1.35Å | |
| C6 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.40Å | |
| C3 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| N2 | C7 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | F2 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 119.1° | 119.2° |
| C5 | C4 | C3 | 118.6° | 118.3° |
| C5 | C4 | H2 | 120.7° | 120.8° |
| C4 | C5 | H3 | 120.5° | 120.4° |
| C5 | C6 | N2 | 123.5° | 120.9° |
| C6 | C5 | H3 | 120.5° | 120.4° |
| C5 | C6 | H4 | 118.3° | 119.5° |
| C4 | C3 | N1 | 121.9° | 120.5° |
| C4 | C3 | C7 | 118.4° | 119.1° |
| C3 | C4 | H2 | 120.7° | 120.8° |
| F1 | C13 | C12 | 118.3° | 120.0° |
| F1 | C13 | C8 | 118.5° | 120.1° |
| C6 | N2 | C7 | 117.2° | 121.8° |
| N2 | C6 | H4 | 118.2° | 119.5° |
| O1 | C2 | N1 | 123.7° | 120.0° |
| O1 | C2 | C1 | 121.6° | 120.0° |
| C13 | C12 | C11 | 116.6° | 119.9° |
| C12 | C13 | C8 | 123.3° | 120.0° |
| C13 | C12 | H10 | 121.7° | 120.0° |
| C12 | C11 | F2 | 118.2° | 120.0° |
| C12 | C11 | C10 | 123.3° | 120.0° |
| C11 | C12 | H10 | 121.7° | 120.0° |
| C13 | C8 | C1 | 121.2° | 119.9° |
| C13 | C8 | C9 | 117.6° | 120.1° |
| N1 | C3 | C7 | 119.7° | 120.4° |
| C3 | N1 | C2 | 126.6° | 120.0° |
| C3 | N1 | H1 | 116.7° | 120.0° |
| C3 | C7 | N2 | 123.2° | 120.6° |
| C3 | C7 | H5 | 118.4° | 119.7° |
| N1 | C2 | C1 | 114.7° | 120.0° |
| C2 | N1 | H1 | 116.7° | 119.9° |
| C2 | C1 | C8 | 110.2° | 109.5° |
| C2 | C1 | H7 | 109.3° | 109.5° |
| C2 | C1 | H8 | 109.3° | 109.5° |
| N2 | C7 | H5 | 118.4° | 119.7° |
| C1 | C8 | C9 | 121.2° | 120.0° |
| C8 | C1 | H7 | 109.3° | 109.5° |
| C8 | C1 | H8 | 109.3° | 109.4° |
| C8 | C9 | C10 | 120.7° | 120.0° |
| C8 | C9 | H9 | 119.6° | 120.0° |
| F2 | C11 | C10 | 118.5° | 120.0° |
| C11 | C10 | C9 | 118.5° | 120.0° |
| C11 | C10 | H6 | 120.8° | 120.0° |
| C9 | C10 | H6 | 120.8° | 120.0° |
| C10 | C9 | H9 | 119.6° | 119.9° |
| H7 | C1 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C4 | C5 | C6 | N2 | 1.4° | 0.0° |
| C5 | C4 | C3 | N1 | 179.9° | 179.8° |
| C5 | C4 | C3 | C7 | 1.1° | 0.2° |
| C4 | C5 | C6 | H4 | 178.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C6 | N2 | H4 | 180.0° | 180.0° |
| C5 | C6 | N2 | C7 | 1.2° | 0.3° |
| C6 | C5 | C4 | H2 | 179.9° | 179.8° |
| C4 | C3 | N1 | C7 | 179.0° | 180.0° |
| C4 | C3 | N1 | C2 | 34.4° | 34.9° |
| C4 | C3 | C7 | N2 | 1.3° | 0.5° |
| C4 | C3 | N1 | H1 | 145.6° | 144.8° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C4 | C3 | C7 | H5 | 178.7° | 180.0° |
| F1 | C13 | C12 | C8 | 180.0° | 179.9° |
| F1 | C13 | C12 | C11 | 179.7° | 180.0° |
| F1 | C13 | C8 | C1 | 0.5° | 0.2° |
| F1 | C13 | C8 | C9 | 179.8° | 180.0° |
| F1 | C13 | C12 | H10 | 0.3° | 0.1° |
| C6 | N2 | C7 | C3 | 0.1° | 0.6° |
| N2 | C6 | C5 | H3 | 178.6° | 179.9° |
| C6 | N2 | C7 | H5 | 179.9° | 179.9° |
| O1 | C2 | N1 | C3 | 2.3° | 4.3° |
| O1 | C2 | N1 | C1 | 179.2° | 179.9° |
| O1 | C2 | C1 | C8 | 25.1° | 0.0° |
| O1 | C2 | N1 | H1 | 177.7° | 175.3° |
| O1 | C2 | C1 | H7 | 95.1° | 120.0° |
| O1 | C2 | C1 | H8 | 145.2° | 119.9° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C12 | C13 | C8 | C1 | 179.5° | 179.7° |
| C12 | C13 | C8 | C9 | 0.3° | 0.0° |
| C13 | C12 | C11 | F2 | 179.5° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C11 | C12 | C13 | C8 | 0.3° | 0.1° |
| C12 | C11 | F2 | C10 | 179.6° | 179.9° |
| C12 | C11 | C10 | C9 | 0.7° | 0.1° |
| C12 | C11 | C10 | H6 | 179.3° | 180.0° |
| C13 | C8 | C1 | C2 | 86.5° | 80.3° |
| C13 | C8 | C1 | C9 | 179.7° | 179.7° |
| C13 | C8 | C9 | C10 | 1.0° | 0.1° |
| C13 | C8 | C1 | H7 | 33.6° | 39.8° |
| C13 | C8 | C1 | H8 | 153.3° | 159.8° |
| C13 | C8 | C9 | H9 | 178.9° | 179.9° |
| C8 | C13 | C12 | H10 | 179.7° | 180.0° |
| C3 | N1 | C2 | H1 | 180.0° | 179.6° |
| C3 | N1 | C2 | C1 | 178.5° | 175.6° |
| N1 | C3 | C7 | N2 | 179.7° | 179.5° |
| N1 | C3 | C4 | H2 | 0.1° | 0.0° |
| N1 | C3 | C7 | H5 | 0.3° | 0.0° |
| C7 | C3 | N1 | C2 | 146.7° | 145.1° |
| C3 | C7 | N2 | H5 | 180.0° | 179.5° |
| C7 | C3 | N1 | H1 | 33.4° | 35.3° |
| C7 | C3 | C4 | H2 | 178.9° | 180.0° |
| N1 | C2 | C1 | C8 | 155.8° | 179.9° |
| N1 | C2 | C1 | H7 | 84.1° | 60.0° |
| N1 | C2 | C1 | H8 | 35.6° | 60.0° |
| C2 | C1 | C8 | H7 | 120.1° | 120.0° |
| C2 | C1 | C8 | H8 | 120.1° | 120.0° |
| C2 | C1 | C8 | C9 | 93.2° | 100.0° |
| C1 | C2 | N1 | H1 | 1.5° | 4.7° |
| C2 | C1 | H7 | H8 | 119.6° | 120.0° |
| C7 | N2 | C6 | H4 | 178.8° | 179.7° |
| C1 | C8 | C9 | C10 | 178.7° | 179.8° |
| C8 | C1 | H7 | H8 | 119.7° | 120.0° |
| C1 | C8 | C9 | H9 | 1.4° | 0.3° |
| C8 | C9 | C10 | C11 | 1.2° | 0.2° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | H6 | 178.7° | 180.0° |
| C9 | C8 | C1 | H7 | 146.7° | 140.0° |
| C9 | C8 | C1 | H8 | 27.0° | 20.0° |
| F2 | C11 | C10 | C9 | 179.7° | 180.0° |
| F2 | C11 | C10 | H6 | 0.3° | 0.1° |
| F2 | C11 | C12 | H10 | 0.4° | 0.0° |
| C11 | C10 | C9 | H6 | 180.0° | 179.9° |
| C11 | C10 | C9 | H9 | 178.7° | 180.0° |
| C10 | C11 | C12 | H10 | 179.9° | 179.9° |
| H2 | C4 | C5 | H3 | 0.1° | 0.2° |
| H3 | C5 | C6 | H4 | 1.4° | 0.0° |
| H6 | C10 | C9 | H9 | 1.3° | 0.1° |
