F40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.25Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| C | C3 | sing | 1.47Å | 1.48Å | |
| N | C1 | sing | 1.37Å | 1.35Å | |
| C1 | C8 | sing | 1.48Å | 1.49Å | |
| C1 | N1 | doub | 1.31Å | 1.36Å | |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | sing | 1.41Å | 1.48Å | Aromatic |
| C2 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| N | H | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 119.8° | 121.3° |
| O | C | C3 | 122.1° | 121.2° |
| N | C | C3 | 118.2° | 117.5° |
| C | N | C1 | 122.4° | 120.5° |
| C | N | H | 118.8° | 119.7° |
| C | C3 | C2 | 116.8° | 118.1° |
| C | C3 | C4 | 124.2° | 121.8° |
| N | C1 | C8 | 120.8° | 118.5° |
| N | C1 | N1 | 122.5° | 123.0° |
| C1 | N | H | 118.8° | 119.8° |
| C8 | C1 | N1 | 116.5° | 118.5° |
| C1 | C8 | C9 | 120.9° | 120.1° |
| C1 | C8 | C13 | 120.0° | 120.2° |
| C1 | N1 | C2 | 121.2° | 121.7° |
| C9 | C8 | C13 | 118.9° | 119.7° |
| C8 | C9 | C10 | 120.3° | 119.9° |
| C8 | C9 | H9 | 119.9° | 120.1° |
| C8 | C13 | C12 | 120.4° | 119.9° |
| C8 | C13 | H13 | 119.8° | 120.0° |
| C9 | C10 | C11 | 120.9° | 120.1° |
| C10 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | H10 | 119.6° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.3° |
| C11 | C10 | H10 | 119.5° | 119.9° |
| C10 | C11 | H11 | 120.4° | 119.8° |
| C11 | C12 | C13 | 120.2° | 120.1° |
| C12 | C11 | H11 | 120.3° | 119.8° |
| C11 | C12 | H12 | 119.9° | 119.9° |
| C12 | C13 | H13 | 119.8° | 120.1° |
| C13 | C12 | H12 | 119.9° | 119.9° |
| N1 | C2 | C3 | 118.9° | 119.2° |
| N1 | C2 | C7 | 121.5° | 121.5° |
| C3 | C2 | C7 | 119.6° | 119.3° |
| C2 | C3 | C4 | 119.1° | 120.0° |
| C2 | C7 | C6 | 119.9° | 119.7° |
| C2 | C7 | H7 | 120.0° | 120.1° |
| C3 | C4 | C5 | 119.3° | 119.6° |
| C3 | C4 | H4 | 120.3° | 120.2° |
| C7 | C6 | C5 | 120.7° | 120.8° |
| C6 | C7 | H7 | 120.1° | 120.2° |
| C7 | C6 | H6 | 119.6° | 119.6° |
| C6 | C5 | C4 | 121.4° | 120.6° |
| C5 | C6 | H6 | 119.6° | 119.6° |
| C6 | C5 | H5 | 119.3° | 119.7° |
| C5 | C4 | H4 | 120.4° | 120.2° |
| C4 | C5 | H5 | 119.3° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | C3 | 179.1° | 179.7° |
| O | C | N | C1 | 177.9° | 180.0° |
| O | C | C3 | C2 | 178.4° | 179.7° |
| O | C | C3 | C4 | 1.0° | 0.0° |
| O | C | N | H | 2.2° | 0.0° |
| C | N | C1 | H | 180.0° | 180.0° |
| C | N | C1 | C8 | 177.1° | 180.0° |
| C | N | C1 | N1 | 2.0° | 0.0° |
| N | C | C3 | C2 | 0.7° | 0.6° |
| N | C | C3 | C4 | 179.9° | 179.7° |
| C3 | C | N | C1 | 1.2° | 0.3° |
| C | C3 | C2 | N1 | 0.9° | 0.6° |
| C | C3 | C2 | C4 | 179.5° | 179.7° |
| C | C3 | C2 | C7 | 180.0° | 179.7° |
| C | C3 | C4 | C5 | 179.8° | 179.2° |
| C3 | C | N | H | 178.7° | 179.7° |
| C | C3 | C4 | H4 | 0.2° | 0.0° |
| N | C1 | C8 | N1 | 175.4° | 179.9° |
| N | C1 | C8 | C9 | 16.1° | 180.0° |
| N | C1 | C8 | C13 | 169.1° | 0.4° |
| N | C1 | N1 | C2 | 2.2° | 0.0° |
| C1 | C8 | C9 | C13 | 174.9° | 179.6° |
| C1 | C8 | C9 | C10 | 177.9° | 179.9° |
| C1 | C8 | C13 | C12 | 177.3° | 179.8° |
| C8 | C1 | N1 | C2 | 177.5° | 180.0° |
| C8 | C1 | N | H | 2.8° | 0.1° |
| C1 | C8 | C9 | H9 | 2.1° | 0.1° |
| C1 | C8 | C13 | H13 | 2.8° | 0.1° |
| N1 | C1 | C8 | C9 | 159.3° | 0.1° |
| N1 | C1 | C8 | C13 | 15.6° | 179.7° |
| C1 | N1 | C2 | C3 | 1.6° | 0.3° |
| C1 | N1 | C2 | C7 | 179.3° | 180.0° |
| N1 | C1 | N | H | 177.9° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 2.3° | 0.0° |
| C9 | C8 | C13 | C12 | 2.3° | 0.6° |
| C9 | C8 | C13 | H13 | 177.7° | 179.8° |
| C8 | C9 | C10 | H10 | 177.7° | 179.9° |
| C13 | C8 | C9 | C10 | 3.0° | 0.3° |
| C8 | C13 | C12 | C11 | 1.0° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C13 | C8 | C9 | H9 | 177.0° | 179.7° |
| C8 | C13 | C12 | H12 | 179.1° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.9° | 0.1° |
| C9 | C10 | C11 | H11 | 179.2° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.2° |
| C11 | C10 | C9 | H9 | 177.7° | 180.0° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | H13 | 179.1° | 179.8° |
| C12 | C11 | C10 | H10 | 179.1° | 180.0° |
| C13 | C12 | C11 | H11 | 179.8° | 179.7° |
| N1 | C2 | C3 | C7 | 179.1° | 179.7° |
| N1 | C2 | C3 | C4 | 179.7° | 179.7° |
| N1 | C2 | C7 | C6 | 179.5° | 180.0° |
| N1 | C2 | C7 | H7 | 0.5° | 0.0° |
| C3 | C2 | C7 | C6 | 0.4° | 0.3° |
| C2 | C3 | C4 | C5 | 0.8° | 0.5° |
| C3 | C2 | C7 | H7 | 179.6° | 179.7° |
| C2 | C3 | C4 | H4 | 179.2° | 179.7° |
| C7 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.4° | 0.0° |
| C2 | C7 | C6 | H6 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.9° | 0.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.2° |
| C3 | C4 | C5 | H5 | 179.1° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.7° | 0.6° |
| C7 | C6 | C5 | H5 | 179.3° | 179.9° |
| C6 | C5 | C4 | H5 | 180.0° | 179.4° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C6 | C5 | C4 | H4 | 179.1° | 179.9° |
| C4 | C5 | C6 | H6 | 179.3° | 179.5° |
| H9 | C9 | C10 | H10 | 2.3° | 0.1° |
| H13 | C13 | C12 | H12 | 0.9° | 0.0° |
| H10 | C10 | C11 | H11 | 0.8° | 0.1° |
| H11 | C11 | C12 | H12 | 0.1° | 0.1° |
| H7 | C7 | C6 | H6 | 0.4° | 0.1° |
| H4 | C4 | C5 | H5 | 0.9° | 0.5° |
| H6 | C6 | C5 | H5 | 0.7° | 0.0° |
