F13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F21 | C16 | sing | 1.35Å | 1.35Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.50Å | |
| C13 | O20 | doub | 1.22Å | 1.22Å | |
| C13 | N12 | sing | 1.35Å | 1.34Å | |
| N12 | C10 | sing | 1.40Å | 1.36Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.48Å | 1.48Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | N3 | sing | 1.36Å | 1.35Å | Aromatic |
| N5 | N1 | sing | 1.28Å | 1.39Å | Aromatic |
| N1 | N2 | doub | 1.29Å | 1.39Å | Aromatic |
| N2 | N3 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F21 | C16 | C15 | 118.9° | 120.0° |
| F21 | C16 | C17 | 120.7° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.1° |
| C16 | C15 | C14 | 120.0° | 119.9° |
| C16 | C15 | H15 | 120.0° | 120.1° |
| C16 | C17 | C18 | 119.6° | 120.3° |
| C16 | C17 | H17 | 120.2° | 119.8° |
| C15 | C14 | C19 | 119.8° | 119.7° |
| C15 | C14 | C13 | 119.4° | 120.1° |
| C14 | C15 | H15 | 120.0° | 120.1° |
| C17 | C18 | C19 | 120.1° | 120.2° |
| C18 | C17 | H17 | 120.2° | 119.9° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | C14 | 120.2° | 119.9° |
| C19 | C18 | H18 | 120.0° | 119.9° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C19 | C14 | C13 | 120.8° | 120.1° |
| C14 | C19 | H19 | 119.9° | 120.1° |
| C14 | C13 | O20 | 117.7° | 120.0° |
| C14 | C13 | N12 | 119.2° | 120.0° |
| O20 | C13 | N12 | 123.1° | 120.0° |
| C13 | N12 | C10 | 125.7° | 120.0° |
| C13 | N12 | HN12 | 117.2° | 120.0° |
| N12 | C10 | C9 | 122.2° | 120.0° |
| N12 | C10 | C11 | 118.9° | 120.0° |
| C10 | N12 | HN12 | 117.1° | 119.9° |
| C9 | C10 | C11 | 118.9° | 120.0° |
| C10 | C9 | C8 | 121.0° | 120.2° |
| C10 | C9 | H9 | 119.5° | 119.9° |
| C10 | C11 | C6 | 119.9° | 119.7° |
| C10 | C11 | H11 | 120.1° | 120.1° |
| C9 | C8 | C7 | 120.0° | 120.2° |
| C8 | C9 | H9 | 119.5° | 119.9° |
| C9 | C8 | H8 | 120.0° | 119.9° |
| C8 | C7 | C6 | 119.1° | 120.0° |
| C7 | C8 | H8 | 120.0° | 119.8° |
| C8 | C7 | H7 | 120.5° | 120.0° |
| C7 | C6 | C11 | 121.0° | 119.8° |
| C7 | C6 | C4 | 119.0° | 120.1° |
| C6 | C7 | H7 | 120.4° | 120.0° |
| C11 | C6 | C4 | 119.9° | 120.1° |
| C6 | C11 | H11 | 120.1° | 120.1° |
| C6 | C4 | N5 | 124.7° | 126.5° |
| C6 | C4 | N3 | 125.4° | 126.5° |
| N5 | C4 | N3 | 109.8° | 107.0° |
| C4 | N5 | N1 | 107.6° | 110.5° |
| C4 | N3 | N2 | 108.3° | 105.2° |
| C4 | N3 | HN3 | 125.9° | 127.4° |
| N5 | N1 | N2 | 107.6° | 110.3° |
| N1 | N2 | N3 | 106.6° | 106.9° |
| N2 | N3 | HN3 | 125.9° | 127.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F21 | C16 | C15 | C17 | 179.5° | 179.7° |
| F21 | C16 | C15 | C14 | 179.9° | 180.0° |
| F21 | C16 | C17 | C18 | 179.5° | 179.9° |
| F21 | C16 | C15 | H15 | 0.1° | 0.0° |
| F21 | C16 | C17 | H17 | 0.5° | 0.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.2° |
| C16 | C15 | C14 | C19 | 0.2° | 0.1° |
| C16 | C15 | C14 | C13 | 178.9° | 180.0° |
| C15 | C16 | C17 | H17 | 179.0° | 179.8° |
| C17 | C16 | C15 | C14 | 0.6° | 0.3° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.0° |
| C17 | C16 | C15 | H15 | 179.4° | 179.7° |
| C16 | C17 | C18 | H18 | 179.4° | 180.0° |
| C15 | C14 | C19 | C18 | 0.6° | 0.2° |
| C15 | C14 | C19 | C13 | 178.8° | 179.9° |
| C15 | C14 | C13 | O20 | 15.3° | 0.0° |
| C15 | C14 | C13 | N12 | 163.9° | 179.9° |
| C15 | C14 | C19 | H19 | 179.5° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.2° | 0.2° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| C18 | C19 | C14 | H19 | 180.0° | 179.8° |
| C18 | C19 | C14 | C13 | 179.3° | 179.8° |
| C19 | C18 | C17 | H17 | 179.4° | 180.0° |
| C19 | C14 | C13 | O20 | 165.9° | 179.9° |
| C19 | C14 | C13 | N12 | 14.9° | 0.0° |
| C19 | C14 | C15 | H15 | 179.8° | 179.9° |
| C14 | C19 | C18 | H18 | 179.8° | 179.8° |
| C14 | C13 | O20 | N12 | 179.2° | 179.9° |
| C14 | C13 | N12 | C10 | 172.1° | 174.7° |
| C13 | C14 | C15 | H15 | 1.1° | 0.0° |
| C13 | C14 | C19 | H19 | 0.7° | 0.1° |
| C14 | C13 | N12 | HN12 | 7.9° | 5.2° |
| O20 | C13 | N12 | C10 | 7.0° | 5.4° |
| O20 | C13 | N12 | HN12 | 173.0° | 174.7° |
| C13 | N12 | C10 | HN12 | 180.0° | 179.9° |
| C13 | N12 | C10 | C9 | 34.7° | 146.8° |
| C13 | N12 | C10 | C11 | 146.7° | 33.5° |
| N12 | C10 | C9 | C11 | 178.5° | 179.7° |
| N12 | C10 | C9 | C8 | 179.6° | 180.0° |
| N12 | C10 | C11 | C6 | 179.8° | 179.7° |
| N12 | C10 | C9 | H9 | 0.4° | 0.1° |
| N12 | C10 | C11 | H11 | 0.2° | 0.1° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.5° | 0.0° |
| C9 | C10 | C11 | C6 | 1.2° | 0.6° |
| C9 | C10 | N12 | HN12 | 145.3° | 33.3° |
| C10 | C9 | C8 | H8 | 179.5° | 179.9° |
| C9 | C10 | C11 | H11 | 178.8° | 179.6° |
| C11 | C10 | C9 | C8 | 1.1° | 0.3° |
| C10 | C11 | C6 | C7 | 0.8° | 0.6° |
| C10 | C11 | C6 | H11 | 180.0° | 179.8° |
| C10 | C11 | C6 | C4 | 179.5° | 179.8° |
| C11 | C10 | N12 | HN12 | 33.3° | 146.4° |
| C11 | C10 | C9 | H9 | 178.9° | 179.8° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C9 | C8 | C7 | H7 | 179.9° | 179.9° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C11 | 0.3° | 0.3° |
| C8 | C7 | C6 | C4 | 179.0° | 180.0° |
| C7 | C8 | C9 | H9 | 179.4° | 179.9° |
| C7 | C6 | C11 | C4 | 178.7° | 179.7° |
| C7 | C6 | C4 | N5 | 157.0° | 180.0° |
| C7 | C6 | C4 | N3 | 23.1° | 0.4° |
| C6 | C7 | C8 | H8 | 179.8° | 179.9° |
| C7 | C6 | C11 | H11 | 179.2° | 179.6° |
| C11 | C6 | C4 | N5 | 21.8° | 0.3° |
| C11 | C6 | C4 | N3 | 158.2° | 180.0° |
| C11 | C6 | C7 | H7 | 179.7° | 179.8° |
| C6 | C4 | N5 | N3 | 180.0° | 179.7° |
| C6 | C4 | N5 | N1 | 179.0° | 180.0° |
| C6 | C4 | N3 | N2 | 179.1° | 179.9° |
| C4 | C6 | C7 | H7 | 1.0° | 0.1° |
| C4 | C6 | C11 | H11 | 0.5° | 0.1° |
| C6 | C4 | N3 | HN3 | 0.9° | 0.1° |
| C4 | N5 | N1 | N2 | 0.7° | 0.0° |
| N5 | C4 | N3 | N2 | 1.0° | 0.4° |
| N5 | C4 | N3 | HN3 | 179.1° | 179.8° |
| N3 | C4 | N5 | N1 | 1.0° | 0.3° |
| C4 | N3 | N2 | N1 | 0.5° | 0.3° |
| C4 | N3 | N2 | HN3 | 180.0° | 179.9° |
| N5 | N1 | N2 | N3 | 0.1° | 0.2° |
| N1 | N2 | N3 | HN3 | 179.5° | 179.8° |
| H17 | C17 | C18 | H18 | 0.6° | 0.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
| H9 | C9 | C8 | H8 | 0.6° | 0.0° |
| H8 | C8 | C7 | H7 | 0.1° | 0.0° |
