F3Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C5 | O6 | sing | 1.43Å | 1.44Å | |
| C21 | C19 | sing | 1.51Å | 1.49Å | |
| O6 | C7 | sing | 1.36Å | 1.37Å | |
| C19 | N18 | sing | 1.35Å | 1.35Å | |
| C19 | O20 | doub | 1.21Å | 1.23Å | |
| N18 | C17 | sing | 1.40Å | 1.41Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N12 | sing | 1.40Å | 1.39Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N12 | C13 | sing | 1.40Å | 1.39Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| N12 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| N18 | H19 | sing | 0.97Å | 1.00Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 113.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.5° | 109.5° |
| C1 | C2 | H5 | 108.5° | 109.5° |
| C2 | C3 | C4 | 113.6° | 109.5° |
| C3 | C2 | H4 | 108.5° | 109.4° |
| C3 | C2 | H5 | 108.5° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| C2 | C3 | H7 | 108.4° | 109.4° |
| C3 | C4 | C5 | 112.5° | 109.5° |
| C4 | C3 | H6 | 108.4° | 109.5° |
| C4 | C3 | H7 | 108.4° | 109.5° |
| C3 | C4 | H8 | 108.7° | 109.4° |
| C3 | C4 | H9 | 108.7° | 109.5° |
| C4 | C5 | O6 | 110.1° | 109.5° |
| C5 | C4 | H8 | 108.7° | 109.5° |
| C5 | C4 | H9 | 108.7° | 109.5° |
| C4 | C5 | H10 | 109.3° | 109.4° |
| C4 | C5 | H11 | 109.3° | 109.5° |
| C22 | C21 | C19 | 110.7° | 109.5° |
| C22 | C21 | H20 | 109.1° | 109.5° |
| C22 | C21 | H21 | 109.1° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.4° |
| C21 | C22 | H23 | 109.4° | 109.5° |
| C21 | C22 | H24 | 109.5° | 109.5° |
| C5 | O6 | C7 | 117.7° | 117.0° |
| O6 | C5 | H10 | 109.3° | 109.4° |
| O6 | C5 | H11 | 109.3° | 109.5° |
| C21 | C19 | N18 | 112.2° | 120.0° |
| C21 | C19 | O20 | 122.5° | 120.0° |
| C19 | C21 | H20 | 109.2° | 109.4° |
| C19 | C21 | H21 | 109.2° | 109.4° |
| O6 | C7 | C8 | 120.9° | 120.0° |
| O6 | C7 | C24 | 118.4° | 120.0° |
| N18 | C19 | O20 | 125.2° | 120.0° |
| C19 | N18 | C17 | 128.1° | 120.0° |
| C19 | N18 | H19 | 116.0° | 120.0° |
| N18 | C17 | C23 | 118.2° | 120.0° |
| N18 | C17 | C16 | 121.7° | 120.1° |
| C17 | N18 | H19 | 115.9° | 120.1° |
| C8 | C7 | C24 | 120.6° | 120.0° |
| C7 | C8 | C9 | 119.6° | 120.1° |
| C7 | C8 | H12 | 120.2° | 120.0° |
| C7 | C24 | C11 | 119.2° | 119.9° |
| C7 | C24 | H26 | 120.4° | 120.0° |
| C8 | C9 | C10 | 120.3° | 120.1° |
| C9 | C8 | H12 | 120.2° | 119.9° |
| C8 | C9 | H13 | 119.8° | 120.0° |
| C24 | C11 | C10 | 120.4° | 119.9° |
| C24 | C11 | N12 | 125.5° | 120.1° |
| C11 | C24 | H26 | 120.4° | 120.1° |
| C9 | C10 | C11 | 119.9° | 120.0° |
| C10 | C9 | H13 | 119.9° | 119.9° |
| C9 | C10 | H14 | 120.1° | 120.0° |
| C23 | C17 | C16 | 120.0° | 120.0° |
| C17 | C23 | C13 | 119.9° | 119.8° |
| C17 | C23 | H25 | 120.1° | 120.1° |
| C17 | C16 | C15 | 120.0° | 120.1° |
| C17 | C16 | H18 | 120.0° | 120.0° |
| C23 | C13 | N12 | 118.4° | 120.1° |
| C23 | C13 | C14 | 120.1° | 119.9° |
| C13 | C23 | H25 | 120.1° | 120.1° |
| C10 | C11 | N12 | 114.1° | 120.1° |
| C11 | C10 | H14 | 120.1° | 120.0° |
| C11 | N12 | C13 | 129.8° | 120.0° |
| C11 | N12 | H15 | 115.1° | 120.0° |
| C16 | C15 | C14 | 120.3° | 120.2° |
| C16 | C15 | H17 | 119.9° | 119.9° |
| C15 | C16 | H18 | 120.0° | 120.0° |
| N12 | C13 | C14 | 121.5° | 120.0° |
| C13 | N12 | H15 | 115.1° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H16 | 120.1° | 120.0° |
| C15 | C14 | H16 | 120.1° | 120.0° |
| C14 | C15 | H17 | 119.9° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.4° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.4° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H22 | C22 | H24 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 120.6° | 120.0° |
| C1 | C2 | C3 | H5 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 154.1° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 118.2° | 120.1° |
| C1 | C2 | C3 | H6 | 85.3° | 60.0° |
| C1 | C2 | C3 | H7 | 33.5° | 60.0° |
| C2 | C3 | C4 | H6 | 120.6° | 120.0° |
| C2 | C3 | C4 | H7 | 120.6° | 120.0° |
| C2 | C3 | C4 | C5 | 87.6° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 118.3° | 119.9° |
| C2 | C3 | H6 | H7 | 118.1° | 119.9° |
| C2 | C3 | C4 | H8 | 151.9° | 60.0° |
| C2 | C3 | C4 | H9 | 32.8° | 60.0° |
| C3 | C4 | C5 | H8 | 120.5° | 119.9° |
| C3 | C4 | C5 | H9 | 120.5° | 120.0° |
| C3 | C4 | C5 | O6 | 124.0° | 180.0° |
| C4 | C3 | C2 | H4 | 33.5° | 60.0° |
| C4 | C3 | C2 | H5 | 85.3° | 59.9° |
| C4 | C3 | H6 | H7 | 118.1° | 120.0° |
| C3 | C4 | H8 | H9 | 118.6° | 120.0° |
| C3 | C4 | C5 | H10 | 115.9° | 60.0° |
| C3 | C4 | C5 | H11 | 3.9° | 59.9° |
| C4 | C5 | O6 | H10 | 120.1° | 120.0° |
| C4 | C5 | O6 | H11 | 120.1° | 120.1° |
| C4 | C5 | O6 | C7 | 148.9° | 180.0° |
| C5 | C4 | C3 | H6 | 33.0° | 60.0° |
| C5 | C4 | C3 | H7 | 151.7° | 60.0° |
| C5 | C4 | H8 | H9 | 118.6° | 120.0° |
| C4 | C5 | H10 | H11 | 119.7° | 120.0° |
| C22 | C21 | C19 | H20 | 120.2° | 120.0° |
| C22 | C21 | C19 | H21 | 120.2° | 120.1° |
| C22 | C21 | C19 | N18 | 85.1° | 180.0° |
| C22 | C21 | C19 | O20 | 91.4° | 0.0° |
| C22 | C21 | H20 | H21 | 119.4° | 120.1° |
| C21 | C22 | H22 | H23 | 120.0° | 120.0° |
| C21 | C22 | H22 | H24 | 120.0° | 120.0° |
| C21 | C22 | H23 | H24 | 120.0° | 120.0° |
| C5 | O6 | C7 | C8 | 4.1° | 0.1° |
| C5 | O6 | C7 | C24 | 173.0° | 179.7° |
| O6 | C5 | C4 | H8 | 3.6° | 60.1° |
| O6 | C5 | C4 | H9 | 115.5° | 59.9° |
| O6 | C5 | H10 | H11 | 119.7° | 120.0° |
| C21 | C19 | N18 | O20 | 176.4° | 180.0° |
| C21 | C19 | N18 | C17 | 178.0° | 174.9° |
| C21 | C19 | N18 | H19 | 2.0° | 5.2° |
| C19 | C21 | H20 | H21 | 119.4° | 119.9° |
| C19 | C21 | C22 | H22 | 180.0° | 180.0° |
| C19 | C21 | C22 | H23 | 60.0° | 60.0° |
| C19 | C21 | C22 | H24 | 60.0° | 60.0° |
| O6 | C7 | C8 | C24 | 177.1° | 179.8° |
| O6 | C7 | C8 | C9 | 176.9° | 179.9° |
| O6 | C7 | C24 | C11 | 177.0° | 179.7° |
| C7 | O6 | C5 | H10 | 91.0° | 60.1° |
| C7 | O6 | C5 | H11 | 28.8° | 59.9° |
| O6 | C7 | C8 | H12 | 3.1° | 0.1° |
| O6 | C7 | C24 | H26 | 3.0° | 0.1° |
| C19 | N18 | C17 | H19 | 180.0° | 179.9° |
| C19 | N18 | C17 | C23 | 176.9° | 146.6° |
| C19 | N18 | C17 | C16 | 0.7° | 34.0° |
| N18 | C19 | C21 | H20 | 35.1° | 60.0° |
| N18 | C19 | C21 | H21 | 154.7° | 60.0° |
| O20 | C19 | N18 | C17 | 1.5° | 5.1° |
| O20 | C19 | N18 | H19 | 178.4° | 174.8° |
| O20 | C19 | C21 | H20 | 148.4° | 120.0° |
| O20 | C19 | C21 | H21 | 28.7° | 120.0° |
| N18 | C17 | C23 | C16 | 176.2° | 179.4° |
| N18 | C17 | C23 | C13 | 176.0° | 180.0° |
| N18 | C17 | C16 | C15 | 175.9° | 179.7° |
| N18 | C17 | C16 | H18 | 4.2° | 0.3° |
| N18 | C17 | C23 | H25 | 4.0° | 0.6° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C8 | C7 | C24 | C11 | 0.1° | 0.5° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H13 | 179.9° | 180.0° |
| C8 | C7 | C24 | H26 | 179.9° | 179.7° |
| C24 | C7 | C8 | C9 | 0.2° | 0.3° |
| C7 | C24 | C11 | H26 | 180.0° | 179.8° |
| C7 | C24 | C11 | C10 | 0.1° | 0.5° |
| C7 | C24 | C11 | N12 | 177.6° | 179.7° |
| C24 | C7 | C8 | H12 | 179.8° | 179.7° |
| C8 | C9 | C10 | H13 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.1° |
| C8 | C9 | C10 | H14 | 180.0° | 180.0° |
| C24 | C11 | C10 | C9 | 0.0° | 0.3° |
| C24 | C11 | C10 | N12 | 177.8° | 179.7° |
| C24 | C11 | N12 | C13 | 14.4° | 27.9° |
| C24 | C11 | C10 | H14 | 180.0° | 179.8° |
| C24 | C11 | N12 | H15 | 165.6° | 152.1° |
| C9 | C10 | C11 | H14 | 180.0° | 179.9° |
| C9 | C10 | C11 | N12 | 177.8° | 180.0° |
| C10 | C9 | C8 | H12 | 179.9° | 180.0° |
| C17 | C23 | C13 | H25 | 180.0° | 179.4° |
| C23 | C17 | C16 | C15 | 0.2° | 0.3° |
| C17 | C23 | C13 | N12 | 178.3° | 179.7° |
| C17 | C23 | C13 | C14 | 0.1° | 0.6° |
| C23 | C17 | C16 | H18 | 179.8° | 179.7° |
| C23 | C17 | N18 | H19 | 3.1° | 33.3° |
| C16 | C17 | C23 | C13 | 0.2° | 0.6° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H17 | 179.9° | 180.0° |
| C16 | C17 | N18 | H19 | 179.3° | 146.1° |
| C16 | C17 | C23 | H25 | 179.8° | 180.0° |
| C23 | C13 | N12 | C11 | 53.0° | 147.8° |
| C23 | C13 | N12 | C14 | 178.4° | 179.7° |
| C23 | C13 | C14 | C15 | 0.0° | 0.3° |
| C23 | C13 | N12 | H15 | 127.0° | 32.2° |
| C23 | C13 | C14 | H16 | 180.0° | 179.7° |
| C10 | C11 | N12 | C13 | 167.9° | 152.4° |
| C11 | C10 | C9 | H13 | 180.0° | 180.0° |
| C10 | C11 | N12 | H15 | 12.1° | 27.6° |
| C10 | C11 | C24 | H26 | 180.0° | 179.7° |
| C11 | N12 | C13 | H15 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 128.6° | 32.5° |
| N12 | C11 | C10 | H14 | 2.2° | 0.1° |
| N12 | C11 | C24 | H26 | 2.4° | 0.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C16 | C15 | C14 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| N12 | C13 | C14 | C15 | 178.3° | 180.0° |
| N12 | C13 | C14 | H16 | 1.6° | 0.0° |
| N12 | C13 | C23 | H25 | 1.7° | 0.3° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C14 | C13 | N12 | H15 | 51.4° | 147.5° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C14 | C13 | C23 | H25 | 179.9° | 180.0° |
| C14 | C15 | C16 | H18 | 179.9° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 59.4° | 180.0° |
| H1 | C1 | C2 | H5 | 59.4° | 60.0° |
| H2 | C1 | C2 | H4 | 60.6° | 60.0° |
| H2 | C1 | C2 | H5 | 179.4° | 60.1° |
| H3 | C1 | C2 | H4 | 179.4° | 60.0° |
| H3 | C1 | C2 | H5 | 60.6° | 180.0° |
| H4 | C2 | C3 | H6 | 154.1° | 180.0° |
| H4 | C2 | C3 | H7 | 87.1° | 60.1° |
| H5 | C2 | C3 | H6 | 35.3° | 60.0° |
| H5 | C2 | C3 | H7 | 154.1° | NaN° |
| H6 | C3 | C4 | H8 | 87.5° | 180.0° |
| H6 | C3 | C4 | H9 | 153.4° | 60.0° |
| H7 | C3 | C4 | H8 | 31.3° | 60.0° |
| H7 | C3 | C4 | H9 | 87.8° | 180.0° |
| H8 | C4 | C5 | H10 | 123.7° | 180.0° |
| H8 | C4 | C5 | H11 | 116.5° | 60.0° |
| H9 | C4 | C5 | H10 | 4.6° | 60.0° |
| H9 | C4 | C5 | H11 | 124.4° | 179.9° |
| H12 | C8 | C9 | H13 | 0.1° | 0.0° |
| H13 | C9 | C10 | H14 | 0.0° | 0.0° |
| H16 | C14 | C15 | H17 | 0.0° | 0.0° |
| H17 | C15 | C16 | H18 | 0.1° | 0.0° |
| H20 | C21 | C22 | H22 | 59.8° | 60.1° |
| H20 | C21 | C22 | H23 | 60.2° | 180.0° |
| H20 | C21 | C22 | H24 | 179.8° | 59.9° |
| H21 | C21 | C22 | H22 | 59.8° | 60.0° |
| H21 | C21 | C22 | H23 | 179.8° | 60.0° |
| H21 | C21 | C22 | H24 | 60.2° | 180.0° |
| H22 | C22 | H23 | H24 | 120.0° | 120.0° |
