F07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.37Å | Aromatic |
| C5 | C10 | sing | 1.42Å | 1.37Å | Aromatic |
| C6 | N7 | sing | 1.34Å | 1.34Å | Aromatic |
| N7 | C8 | doub | 1.31Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C13 | sing | 1.45Å | 1.42Å | Aromatic |
| C10 | S11 | sing | 1.76Å | 1.72Å | Aromatic |
| S11 | C12 | sing | 1.75Å | 1.72Å | Aromatic |
| C12 | C13 | doub | 1.32Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.4° | 118.8° |
| C1 | C2 | N3 | 126.7° | 121.9° |
| C2 | C1 | H1 | 120.3° | 120.6° |
| C1 | C2 | H2 | 116.7° | 119.1° |
| C1 | C6 | C5 | 113.7° | 117.9° |
| C1 | C6 | N7 | 123.5° | 121.9° |
| C6 | C1 | H1 | 120.3° | 120.6° |
| C2 | N3 | C4 | 113.9° | 122.5° |
| N3 | C2 | H2 | 116.7° | 119.0° |
| N3 | C4 | C5 | 122.1° | 119.8° |
| N3 | C4 | H4 | 119.0° | 120.1° |
| C4 | C5 | C6 | 124.2° | 119.1° |
| C4 | C5 | C10 | 118.2° | 121.9° |
| C5 | C4 | H4 | 118.9° | 120.1° |
| C6 | C5 | C10 | 117.6° | 119.0° |
| C5 | C6 | N7 | 122.9° | 120.2° |
| C5 | C10 | C9 | 120.9° | 118.3° |
| C5 | C10 | S11 | 127.1° | 131.8° |
| C6 | N7 | C8 | 119.0° | 122.1° |
| N7 | C8 | C9 | 121.8° | 122.0° |
| N7 | C8 | H8 | 119.1° | 119.0° |
| C8 | C9 | C10 | 117.9° | 118.4° |
| C8 | C9 | C13 | 131.0° | 129.8° |
| C9 | C8 | H8 | 119.1° | 119.0° |
| C10 | C9 | C13 | 111.1° | 111.8° |
| C9 | C10 | S11 | 112.1° | 109.8° |
| C9 | C13 | C12 | 113.8° | 114.9° |
| C9 | C13 | H13 | 123.1° | 122.5° |
| C10 | S11 | C12 | 92.0° | 92.1° |
| S11 | C12 | C13 | 111.0° | 111.3° |
| S11 | C12 | H12 | 124.5° | 124.4° |
| C12 | C13 | H13 | 123.1° | 122.6° |
| C13 | C12 | H12 | 124.5° | 124.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | N3 | H2 | 180.0° | 180.0° |
| C1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C2 | C1 | C6 | N7 | 179.9° | 180.0° |
| C6 | C1 | C2 | N3 | 0.1° | 0.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C1 | C6 | C5 | N7 | 179.8° | 180.0° |
| C1 | C6 | C5 | C10 | 179.7° | 180.0° |
| C1 | C6 | N7 | C8 | 179.6° | 180.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C2 | C1 | H1 | 179.9° | 179.8° |
| C2 | N3 | C4 | H4 | 179.9° | 180.0° |
| N3 | C4 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | C5 | C10 | 179.9° | 180.0° |
| C4 | N3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | C10 | 179.9° | 180.0° |
| C4 | C5 | C6 | N7 | 179.8° | 180.0° |
| C4 | C5 | C10 | C9 | 180.0° | 180.0° |
| C4 | C5 | C10 | S11 | 0.1° | 0.0° |
| C5 | C6 | N7 | C8 | 0.1° | 0.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.0° |
| C6 | C5 | C10 | S11 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 179.7° | 179.8° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C10 | C5 | C6 | N7 | 0.1° | 0.0° |
| C5 | C10 | C9 | C8 | 0.2° | 0.0° |
| C5 | C10 | C9 | S11 | 179.9° | 180.0° |
| C5 | C10 | C9 | C13 | 179.7° | 180.0° |
| C5 | C10 | S11 | C12 | 179.8° | 180.0° |
| C10 | C5 | C4 | H4 | 0.1° | 0.0° |
| C6 | N7 | C8 | C9 | 0.0° | 0.0° |
| N7 | C6 | C1 | H1 | 0.1° | 0.2° |
| C6 | N7 | C8 | H8 | 180.0° | 180.0° |
| N7 | C8 | C9 | H8 | 180.0° | 180.0° |
| N7 | C8 | C9 | C10 | 0.1° | 0.0° |
| N7 | C8 | C9 | C13 | 179.6° | 179.9° |
| C8 | C9 | C10 | C13 | 179.6° | 180.0° |
| C8 | C9 | C10 | S11 | 179.9° | 180.0° |
| C8 | C9 | C13 | C12 | 179.7° | 180.0° |
| C8 | C9 | C13 | H13 | 0.3° | 0.1° |
| C9 | C10 | S11 | C12 | 0.3° | 0.0° |
| C10 | C9 | C13 | C12 | 0.2° | 0.1° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C10 | C9 | C13 | H13 | 179.8° | 180.0° |
| C13 | C9 | C10 | S11 | 0.3° | 0.0° |
| C9 | C13 | C12 | S11 | 0.0° | 0.1° |
| C9 | C13 | C12 | H13 | 180.0° | 179.9° |
| C13 | C9 | C8 | H8 | 0.4° | 0.1° |
| C9 | C13 | C12 | H12 | 180.0° | 180.0° |
| C10 | S11 | C12 | C13 | 0.2° | 0.0° |
| C10 | S11 | C12 | H12 | 179.9° | 180.0° |
| S11 | C12 | C13 | H12 | 180.0° | 180.0° |
| S11 | C12 | C13 | H13 | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.2° |
| H13 | C13 | C12 | H12 | 0.0° | 0.1° |
