F05
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | C4 | sing | 1.48Å | 1.50Å | |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N8 | C7 | sing | 1.47Å | 1.46Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N8 | C9 | doub | 1.30Å | 1.29Å | |
| C9 | N10 | sing | 1.38Å | 1.36Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N10 | HN1A | sing | 0.97Å | 1.00Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.8° | 120.1° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C1 | C6 | C5 | 115.8° | 119.9° |
| C1 | C6 | H6 | 122.1° | 120.0° |
| C2 | C1 | H1 | 119.6° | 119.9° |
| C1 | C2 | C3 | 122.8° | 120.3° |
| C1 | C2 | H2 | 118.6° | 119.8° |
| C3 | C2 | H2 | 118.6° | 119.8° |
| C2 | C3 | C4 | 116.2° | 119.8° |
| C2 | C3 | H3 | 121.9° | 120.1° |
| C4 | C3 | H3 | 121.9° | 120.1° |
| C3 | C4 | C9 | 134.1° | 132.7° |
| C3 | C4 | C5 | 120.8° | 119.3° |
| C9 | C4 | C5 | 105.1° | 107.9° |
| C4 | C9 | N8 | 111.7° | 111.0° |
| C4 | C9 | N10 | 124.9° | 124.5° |
| C4 | C5 | C7 | 108.7° | 105.7° |
| C4 | C5 | C6 | 123.5° | 120.4° |
| C7 | C5 | C6 | 127.7° | 133.9° |
| C5 | C7 | N8 | 103.0° | 105.9° |
| C5 | C7 | H7 | 111.1° | 110.2° |
| C5 | C7 | H4 | 111.0° | 110.2° |
| C5 | C6 | H6 | 122.1° | 120.0° |
| N8 | C7 | H7 | 111.1° | 110.1° |
| C7 | N8 | C9 | 111.4° | 109.5° |
| N8 | C7 | H4 | 111.0° | 110.2° |
| H7 | C7 | H4 | 109.5° | 110.1° |
| N8 | C9 | N10 | 123.3° | 124.5° |
| C9 | N10 | HN10 | 120.0° | 120.0° |
| C9 | N10 | HN1A | 120.0° | 120.0° |
| HN10 | N10 | HN1A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 1.9° | 0.3° |
| C6 | C1 | C2 | H2 | 178.1° | 179.7° |
| C1 | C6 | C5 | C4 | 1.2° | 0.6° |
| C1 | C6 | C5 | C7 | 177.3° | 179.8° |
| C1 | C6 | C5 | H6 | 180.0° | 179.5° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.6° |
| C2 | C1 | C6 | H6 | 178.8° | 180.0° |
| H1 | C1 | C2 | C3 | 178.1° | 180.0° |
| H1 | C1 | C2 | H2 | 1.9° | 0.0° |
| H1 | C1 | C6 | C5 | 178.8° | 179.8° |
| H1 | C1 | C6 | H6 | 1.2° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C9 | 178.9° | 180.0° |
| C2 | C3 | C4 | C5 | 2.4° | 0.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| C3 | C4 | C9 | C5 | 178.9° | 180.0° |
| C3 | C4 | C5 | C7 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 3.1° | 0.3° |
| C3 | C4 | C9 | N8 | 177.9° | 180.0° |
| C3 | C4 | C9 | N10 | 4.1° | 0.1° |
| H3 | C3 | C4 | C9 | 1.1° | 0.0° |
| H3 | C3 | C4 | C5 | 177.7° | 180.0° |
| C9 | C4 | C5 | C7 | 1.1° | 0.0° |
| C9 | C4 | C5 | C6 | 177.8° | 179.7° |
| C4 | C9 | N8 | C7 | 4.0° | 0.0° |
| C4 | C9 | N8 | N10 | 178.0° | 179.9° |
| C4 | C9 | N10 | HN10 | 177.8° | 180.0° |
| C4 | C9 | N10 | HN1A | 2.2° | 0.1° |
| C4 | C5 | C7 | C6 | 176.5° | 179.7° |
| C4 | C5 | C6 | H6 | 178.7° | 180.0° |
| C4 | C5 | C7 | N8 | 1.0° | 0.0° |
| C4 | C5 | C7 | H7 | 120.0° | 119.1° |
| C5 | C4 | C9 | N8 | 3.2° | 0.0° |
| C5 | C4 | C9 | N10 | 174.8° | 180.0° |
| C4 | C5 | C7 | H4 | 117.9° | 119.2° |
| C7 | C5 | C6 | H6 | 2.7° | 0.3° |
| C5 | C7 | N8 | H7 | 119.0° | 119.1° |
| C5 | C7 | N8 | H4 | 118.9° | 119.1° |
| C5 | C7 | H7 | H4 | 123.0° | 121.8° |
| C5 | C7 | N8 | C9 | 3.1° | 0.0° |
| C6 | C5 | C7 | N8 | 175.5° | 179.7° |
| C6 | C5 | C7 | H7 | 56.5° | 60.6° |
| C6 | C5 | C7 | H4 | 65.6° | 61.2° |
| N8 | C7 | H7 | H4 | 123.0° | 121.8° |
| C7 | N8 | C9 | N10 | 174.0° | 180.0° |
| H7 | C7 | N8 | C9 | 122.1° | 119.2° |
| N8 | C9 | N10 | HN10 | 0.0° | 0.1° |
| N8 | C9 | N10 | HN1A | 180.0° | 180.0° |
| C9 | N8 | C7 | H4 | 115.8° | 119.1° |
| C9 | N10 | HN10 | HN1A | 180.0° | 180.0° |






