F1C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| O3 | C | sing | 1.35Å | 1.26Å | |
| C | C1 | sing | 1.48Å | 1.51Å | |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.48Å | |
| C3 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N | sing | 1.40Å | 1.41Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C9 | sing | 1.35Å | 1.36Å | |
| O1 | C9 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C18 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C19 | sing | 1.35Å | 1.35Å | |
| C19 | O2 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C2 | H | sing | 1.08Å | 1.08Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| O3 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | O3 | 124.8° | 120.0° |
| O | C | C1 | 117.5° | 120.0° |
| O3 | C | C1 | 117.8° | 120.0° |
| C | O3 | H19 | 109.5° | 117.0° |
| C | C1 | C2 | 120.2° | 120.0° |
| C | C1 | C22 | 119.8° | 120.0° |
| C2 | C1 | C22 | 119.7° | 119.9° |
| C1 | C2 | C3 | 121.0° | 119.9° |
| C1 | C2 | H | 119.5° | 120.0° |
| C1 | C22 | C13 | 120.6° | 120.0° |
| C1 | C22 | H18 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | C12 | 118.3° | 120.1° |
| C3 | C2 | H | 119.5° | 120.0° |
| C22 | C13 | C12 | 118.7° | 120.0° |
| C22 | C13 | C14 | 120.1° | 120.0° |
| C13 | C22 | H18 | 119.7° | 120.0° |
| C4 | C3 | C12 | 121.1° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C3 | C4 | C11 | 120.8° | 120.0° |
| C3 | C12 | C13 | 121.7° | 120.1° |
| C3 | C12 | H9 | 119.2° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C5 | C6 | C7 | 120.4° | 120.2° |
| C6 | C5 | H1 | 119.6° | 120.0° |
| C5 | C6 | H2 | 119.8° | 119.9° |
| C5 | C4 | C11 | 118.2° | 119.9° |
| C4 | C5 | H1 | 119.6° | 120.0° |
| C12 | C13 | C14 | 121.2° | 120.0° |
| C13 | C12 | H9 | 119.2° | 120.0° |
| C13 | C14 | C15 | 120.8° | 120.1° |
| C13 | C14 | C21 | 120.7° | 120.1° |
| C6 | C7 | C8 | 119.8° | 120.2° |
| C6 | C7 | H3 | 120.1° | 119.9° |
| C7 | C6 | H2 | 119.8° | 119.9° |
| C4 | C11 | C8 | 121.3° | 119.8° |
| C4 | C11 | H8 | 119.3° | 120.2° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C15 | C14 | C21 | 118.4° | 119.8° |
| C14 | C15 | H10 | 119.6° | 120.0° |
| C15 | C16 | C17 | 120.5° | 120.2° |
| C16 | C15 | H10 | 119.6° | 120.0° |
| C15 | C16 | H11 | 119.7° | 119.9° |
| C7 | C8 | C11 | 119.5° | 119.9° |
| C7 | C8 | N | 118.6° | 120.1° |
| C8 | C7 | H3 | 120.1° | 119.9° |
| C11 | C8 | N | 121.8° | 120.0° |
| C8 | C11 | H8 | 119.4° | 120.0° |
| C14 | C21 | C18 | 121.0° | 119.8° |
| C14 | C21 | H17 | 119.5° | 120.1° |
| C8 | N | C9 | 128.6° | 120.0° |
| C8 | N | H4 | 115.7° | 120.1° |
| C16 | C17 | C18 | 119.7° | 120.2° |
| C17 | C16 | H11 | 119.8° | 119.8° |
| C16 | C17 | H12 | 120.1° | 120.0° |
| C21 | C18 | C17 | 119.7° | 119.9° |
| C21 | C18 | N1 | 119.8° | 120.0° |
| C18 | C21 | H17 | 119.5° | 120.1° |
| N | C9 | O1 | 123.1° | 120.0° |
| N | C9 | C10 | 114.9° | 120.0° |
| C9 | N | H4 | 115.7° | 120.0° |
| O1 | C9 | C10 | 122.0° | 120.0° |
| C17 | C18 | N1 | 120.3° | 120.0° |
| C18 | C17 | H12 | 120.2° | 119.9° |
| C9 | C10 | H5 | 109.5° | 109.5° |
| C9 | C10 | H6 | 109.5° | 109.4° |
| C9 | C10 | H7 | 109.5° | 109.5° |
| C18 | N1 | C19 | 128.0° | 120.0° |
| C18 | N1 | H13 | 116.0° | 120.0° |
| N1 | C19 | O2 | 123.1° | 120.0° |
| N1 | C19 | C20 | 114.7° | 120.0° |
| C19 | N1 | H13 | 116.0° | 120.0° |
| O2 | C19 | C20 | 122.2° | 120.0° |
| C19 | C20 | H14 | 109.5° | 109.5° |
| C19 | C20 | H15 | 109.4° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.4° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H16 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | O3 | C1 | 179.5° | 180.0° |
| O | C | C1 | C2 | 10.0° | 0.1° |
| O | C | C1 | C22 | 175.9° | 180.0° |
| O | C | O3 | H19 | 0.0° | 0.0° |
| O3 | C | C1 | C2 | 170.5° | 180.0° |
| O3 | C | C1 | C22 | 3.6° | 0.0° |
| C | C1 | C2 | C22 | 174.1° | 179.9° |
| C | C1 | C2 | C3 | 173.3° | 180.0° |
| C | C1 | C22 | C13 | 173.0° | 180.0° |
| C | C1 | C2 | H | 6.8° | 0.3° |
| C | C1 | C22 | H18 | 7.0° | 0.0° |
| C1 | C | O3 | H19 | 179.5° | 179.9° |
| C1 | C2 | C3 | H | 180.0° | 179.7° |
| C2 | C1 | C22 | C13 | 1.1° | 0.1° |
| C1 | C2 | C3 | C4 | 179.1° | 179.7° |
| C1 | C2 | C3 | C12 | 0.4° | 0.3° |
| C2 | C1 | C22 | H18 | 178.9° | 180.0° |
| C22 | C1 | C2 | C3 | 0.8° | 0.1° |
| C1 | C22 | C13 | H18 | 180.0° | 180.0° |
| C1 | C22 | C13 | C12 | 0.9° | 0.3° |
| C1 | C22 | C13 | C14 | 177.2° | 179.7° |
| C22 | C1 | C2 | H | 179.2° | 179.8° |
| C2 | C3 | C4 | C12 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 47.0° | 179.7° |
| C2 | C3 | C12 | C13 | 0.3° | 0.6° |
| C2 | C3 | C4 | C11 | 129.5° | 0.0° |
| C2 | C3 | C12 | H9 | 179.7° | 180.0° |
| C22 | C13 | C12 | C3 | 0.6° | 0.6° |
| C22 | C13 | C12 | C14 | 178.1° | 180.0° |
| C22 | C13 | C14 | C15 | 32.3° | 179.7° |
| C22 | C13 | C14 | C21 | 144.1° | 0.0° |
| C22 | C13 | C12 | H9 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 175.7° | 179.7° |
| C3 | C4 | C5 | C11 | 176.6° | 179.7° |
| C4 | C3 | C12 | C13 | 179.2° | 179.5° |
| C3 | C4 | C11 | C8 | 175.6° | 179.7° |
| C4 | C3 | C2 | H | 1.0° | 0.0° |
| C3 | C4 | C5 | H1 | 4.3° | 0.3° |
| C3 | C4 | C11 | H8 | 4.4° | 0.3° |
| C4 | C3 | C12 | H9 | 0.8° | 0.0° |
| C12 | C3 | C4 | C5 | 133.5° | 0.3° |
| C3 | C12 | C13 | H9 | 180.0° | 179.5° |
| C3 | C12 | C13 | C14 | 177.5° | 179.4° |
| C12 | C3 | C4 | C11 | 49.9° | 180.0° |
| C12 | C3 | C2 | H | 179.6° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C11 | 1.0° | 0.1° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | H3 | 179.5° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C4 | C11 | C8 | 1.1° | 0.0° |
| C4 | C5 | C6 | H2 | 179.8° | 179.9° |
| C5 | C4 | C11 | H8 | 178.9° | 179.9° |
| C12 | C13 | C14 | C15 | 149.6° | 0.3° |
| C12 | C13 | C14 | C21 | 34.0° | 180.0° |
| C12 | C13 | C22 | H18 | 179.0° | 179.7° |
| C13 | C14 | C15 | C21 | 176.5° | 179.7° |
| C13 | C14 | C15 | C16 | 175.4° | 180.0° |
| C13 | C14 | C21 | C18 | 174.8° | 179.8° |
| C14 | C13 | C12 | H9 | 2.5° | 0.0° |
| C13 | C14 | C15 | H10 | 4.6° | 0.0° |
| C13 | C14 | C21 | H17 | 5.2° | 0.0° |
| C14 | C13 | C22 | H18 | 2.8° | 0.3° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C11 | 0.4° | 0.0° |
| C6 | C7 | C8 | N | 179.5° | 179.9° |
| C7 | C6 | C5 | H1 | 179.8° | 180.0° |
| C4 | C11 | C8 | C7 | 0.4° | 0.0° |
| C4 | C11 | C8 | H8 | 180.0° | 180.0° |
| C4 | C11 | C8 | N | 178.6° | 180.0° |
| C11 | C4 | C5 | H1 | 179.0° | 180.0° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.1° |
| C15 | C14 | C21 | C18 | 1.7° | 0.5° |
| C14 | C15 | C16 | H11 | 179.6° | 179.9° |
| C15 | C14 | C21 | H17 | 178.3° | 179.7° |
| C16 | C15 | C14 | C21 | 1.1° | 0.3° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H12 | 179.8° | 180.0° |
| C7 | C8 | C11 | N | 179.0° | 180.0° |
| C7 | C8 | N | C9 | 179.7° | 35.5° |
| C8 | C7 | C6 | H2 | 179.5° | 180.0° |
| C7 | C8 | C11 | H8 | 179.6° | 180.0° |
| C7 | C8 | N | H4 | 0.4° | 144.5° |
| C11 | C8 | N | C9 | 0.6° | 144.4° |
| C11 | C8 | C7 | H3 | 179.6° | 180.0° |
| C11 | C8 | N | H4 | 179.4° | 35.5° |
| C14 | C21 | C18 | H17 | 180.0° | 179.8° |
| C14 | C21 | C18 | C17 | 1.6° | 0.5° |
| C14 | C21 | C18 | N1 | 173.9° | 179.7° |
| C21 | C14 | C15 | H10 | 178.9° | 179.7° |
| C8 | N | C9 | H4 | 180.0° | 180.0° |
| C8 | N | C9 | O1 | 4.8° | 4.6° |
| C8 | N | C9 | C10 | 174.8° | 175.5° |
| N | C8 | C7 | H3 | 0.5° | 0.1° |
| N | C8 | C11 | H8 | 1.4° | 0.0° |
| C16 | C17 | C18 | C21 | 0.8° | 0.2° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| C16 | C17 | C18 | N1 | 174.6° | 180.0° |
| C17 | C16 | C15 | H10 | 179.6° | 180.0° |
| C21 | C18 | C17 | N1 | 175.4° | 179.8° |
| C21 | C18 | N1 | C19 | 167.6° | 146.7° |
| C21 | C18 | N1 | H13 | 12.4° | 33.5° |
| C21 | C18 | C17 | H12 | 179.2° | 179.8° |
| N | C9 | O1 | C10 | 179.7° | 180.0° |
| N | C9 | C10 | H5 | 179.7° | 0.0° |
| N | C9 | C10 | H6 | 59.7° | 120.0° |
| N | C9 | C10 | H7 | 60.3° | 120.0° |
| O1 | C9 | C10 | H5 | 0.0° | 179.9° |
| O1 | C9 | C10 | H6 | 120.0° | 60.0° |
| O1 | C9 | C10 | H7 | 120.0° | 60.0° |
| O1 | C9 | N | H4 | 175.1° | 175.4° |
| C17 | C18 | N1 | C19 | 16.9° | 33.5° |
| C17 | C18 | N1 | H13 | 163.1° | 146.3° |
| C18 | C17 | C16 | H11 | 179.8° | 180.0° |
| C17 | C18 | C21 | H17 | 178.4° | 179.7° |
| C9 | C10 | H5 | H6 | 120.0° | 119.9° |
| C9 | C10 | H5 | H7 | 120.0° | 120.0° |
| C9 | C10 | H6 | H7 | 120.0° | 120.0° |
| C10 | C9 | N | H4 | 5.2° | 4.5° |
| C18 | N1 | C19 | H13 | 180.0° | 179.8° |
| C18 | N1 | C19 | O2 | 18.9° | 5.3° |
| C18 | N1 | C19 | C20 | 159.2° | 174.7° |
| N1 | C18 | C17 | H12 | 5.4° | 0.0° |
| N1 | C18 | C21 | H17 | 6.1° | 0.1° |
| N1 | C19 | O2 | C20 | 178.0° | 180.0° |
| N1 | C19 | C20 | H14 | 178.1° | 0.0° |
| N1 | C19 | C20 | H15 | 58.1° | 120.0° |
| N1 | C19 | C20 | H16 | 61.8° | 120.0° |
| O2 | C19 | N1 | H13 | 161.1° | 174.9° |
| O2 | C19 | C20 | H14 | 0.0° | 180.0° |
| O2 | C19 | C20 | H15 | 120.0° | 60.0° |
| O2 | C19 | C20 | H16 | 120.0° | 60.0° |
| C20 | C19 | N1 | H13 | 20.8° | 5.1° |
| C19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H16 | 120.0° | 120.0° |
| C19 | C20 | H15 | H16 | 120.0° | 120.0° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H3 | C7 | C6 | H2 | 0.5° | 0.0° |
| H5 | C10 | H6 | H7 | 120.0° | 120.0° |
| H10 | C15 | C16 | H11 | 0.4° | 0.0° |
| H11 | C16 | C17 | H12 | 0.2° | 0.0° |
| H14 | C20 | H15 | H16 | 120.0° | 119.9° |
