4FF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C12 | sing | 1.35Å | 1.25Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | C10 | sing | 1.47Å | 1.58Å | |
| C10 | C9 | doub | 1.37Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.35Å | 1.32Å | Aromatic |
| C9 | N8 | sing | 1.35Å | 1.35Å | Aromatic |
| C9 | C15 | sing | 1.51Å | 1.57Å | |
| N8 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | N11 | doub | 1.31Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C12 | O13 | 119.2° | 120.0° |
| O14 | C12 | C10 | 123.3° | 120.0° |
| C12 | O14 | H14 | 109.5° | 117.0° |
| O13 | C12 | C10 | 117.4° | 120.0° |
| C12 | C10 | C9 | 126.4° | 126.1° |
| C12 | C10 | N11 | 125.7° | 126.1° |
| C9 | C10 | N11 | 107.8° | 107.8° |
| C10 | C9 | N8 | 107.2° | 107.0° |
| C10 | C9 | C15 | 127.0° | 126.5° |
| C10 | N11 | C7 | 109.3° | 108.9° |
| N8 | C9 | C15 | 125.7° | 126.5° |
| C9 | N8 | C7 | 107.7° | 107.5° |
| C9 | N8 | H8 | 126.1° | 126.2° |
| C9 | C15 | H151 | 109.5° | 109.4° |
| C9 | C15 | H152 | 109.5° | 109.4° |
| C9 | C15 | H153 | 109.4° | 109.5° |
| N8 | C7 | N11 | 107.9° | 108.7° |
| N8 | C7 | C6 | 128.1° | 125.6° |
| C7 | N8 | H8 | 126.2° | 126.3° |
| N11 | C7 | C6 | 124.0° | 125.7° |
| C7 | C6 | C1 | 120.4° | 120.1° |
| C7 | C6 | C5 | 121.2° | 120.2° |
| C1 | C6 | C5 | 118.3° | 119.7° |
| C6 | C1 | C2 | 122.1° | 119.9° |
| C6 | C1 | H1 | 118.9° | 120.1° |
| C6 | C5 | C4 | 121.1° | 119.9° |
| C6 | C5 | H5 | 119.5° | 120.0° |
| C1 | C2 | C3 | 118.4° | 120.1° |
| C2 | C1 | H1 | 119.0° | 120.1° |
| C1 | C2 | H2 | 120.8° | 119.9° |
| C2 | C3 | C4 | 120.8° | 120.3° |
| C3 | C2 | H2 | 120.8° | 119.9° |
| C2 | C3 | H3 | 119.6° | 119.9° |
| C3 | C4 | C5 | 119.3° | 120.1° |
| C4 | C3 | H3 | 119.6° | 119.9° |
| C3 | C4 | H4 | 120.4° | 120.0° |
| C4 | C5 | H5 | 119.5° | 120.1° |
| C5 | C4 | H4 | 120.4° | 119.9° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C12 | O13 | C10 | 176.0° | 180.0° |
| O14 | C12 | C10 | C9 | 173.9° | 180.0° |
| O14 | C12 | C10 | N11 | 7.1° | 0.3° |
| O13 | C12 | C10 | C9 | 2.0° | 0.0° |
| O13 | C12 | C10 | N11 | 177.1° | 179.7° |
| O13 | C12 | O14 | H14 | 0.0° | 0.1° |
| C12 | C10 | C9 | N11 | 179.2° | 179.7° |
| C12 | C10 | C9 | N8 | 180.0° | 179.9° |
| C12 | C10 | C9 | C15 | 1.4° | 0.1° |
| C12 | C10 | N11 | C7 | 179.2° | 179.9° |
| C10 | C12 | O14 | H14 | 175.7° | 179.9° |
| C10 | C9 | N8 | C15 | 178.6° | 180.0° |
| C10 | C9 | N8 | C7 | 0.4° | 0.0° |
| C9 | C10 | N11 | C7 | 1.6° | 0.4° |
| C10 | C9 | N8 | H8 | 179.7° | 179.9° |
| C10 | C9 | C15 | H151 | 37.6° | 90.0° |
| C10 | C9 | C15 | H152 | 82.4° | 150.0° |
| C10 | C9 | C15 | H153 | 157.6° | 30.0° |
| N11 | C10 | C9 | N8 | 0.8° | 0.2° |
| N11 | C10 | C9 | C15 | 177.8° | 179.8° |
| C10 | N11 | C7 | N8 | 1.8° | 0.4° |
| C10 | N11 | C7 | C6 | 180.0° | 179.8° |
| C9 | N8 | C7 | H8 | 180.0° | 179.9° |
| C9 | N8 | C7 | N11 | 1.3° | 0.3° |
| C9 | N8 | C7 | C6 | 179.4° | 180.0° |
| N8 | C9 | C15 | H151 | 144.1° | 90.0° |
| N8 | C9 | C15 | H152 | 95.9° | 30.0° |
| N8 | C9 | C15 | H153 | 24.1° | 150.0° |
| C15 | C9 | N8 | C7 | 179.0° | 180.0° |
| C15 | C9 | N8 | H8 | 1.1° | 0.1° |
| C9 | C15 | H151 | H152 | 120.0° | 120.0° |
| C9 | C15 | H151 | H153 | 120.0° | 120.0° |
| C9 | C15 | H152 | H153 | 120.0° | 120.0° |
| N8 | C7 | N11 | C6 | 178.2° | 179.8° |
| N8 | C7 | C6 | C1 | 22.5° | 180.0° |
| N8 | C7 | C6 | C5 | 159.3° | 0.3° |
| N11 | C7 | C6 | C1 | 155.2° | 0.3° |
| N11 | C7 | C6 | C5 | 22.9° | 180.0° |
| N11 | C7 | N8 | H8 | 178.7° | 179.8° |
| C7 | C6 | C1 | C5 | 178.2° | 179.7° |
| C7 | C6 | C1 | C2 | 179.8° | 180.0° |
| C7 | C6 | C5 | C4 | 178.7° | 179.7° |
| C6 | C7 | N8 | H8 | 0.7° | 0.1° |
| C7 | C6 | C1 | H1 | 0.2° | 0.0° |
| C7 | C6 | C5 | H5 | 1.3° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 1.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.6° |
| C1 | C6 | C5 | H5 | 179.5° | 179.7° |
| C6 | C1 | C2 | H2 | 179.0° | 180.0° |
| C5 | C6 | C1 | C2 | 1.6° | 0.3° |
| C6 | C5 | C4 | C3 | 1.3° | 0.6° |
| C6 | C5 | C4 | H5 | 180.0° | 179.7° |
| C5 | C6 | C1 | H1 | 178.4° | 179.8° |
| C6 | C5 | C4 | H4 | 178.7° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C1 | C2 | C3 | H3 | 179.1° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.0° | 0.3° |
| C3 | C2 | C1 | H1 | 179.0° | 180.0° |
| C2 | C3 | C4 | H4 | 178.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | H5 | 178.7° | 179.7° |
| C4 | C3 | C2 | H2 | 179.1° | 180.0° |
| C5 | C4 | C3 | H3 | 178.0° | 179.7° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 1.0° | 0.1° |
| H5 | C5 | C4 | H4 | 1.3° | 0.0° |
| H2 | C2 | C3 | H3 | 0.9° | 0.1° |
| H3 | C3 | C4 | H4 | 2.0° | 0.0° |
