F41
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| N4 | C7 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | O9 | doub | 1.21Å | 1.22Å | |
| C8 | N10 | sing | 1.35Å | 1.36Å | |
| N10 | C11 | sing | 1.40Å | 1.42Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | O17 | sing | 1.36Å | 1.38Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O19 | sing | 1.37Å | 1.38Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| O17 | C18 | sing | 1.44Å | 1.46Å | |
| C18 | O19 | sing | 1.44Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 109.7° | 109.2° |
| C1 | C2 | C3 | 111.4° | 109.2° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C1 | C2 | H2A | 108.9° | 109.5° |
| C1 | C6 | C5 | 107.8° | 109.3° |
| C6 | C1 | H1 | 109.4° | 109.5° |
| C6 | C1 | H1A | 109.4° | 109.5° |
| C1 | C6 | H6 | 110.1° | 109.5° |
| C1 | C6 | H6A | 110.0° | 109.5° |
| C2 | C3 | N4 | 110.7° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C3 | C2 | H2A | 108.8° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.4° |
| C2 | C3 | H3A | 109.1° | 109.5° |
| C3 | N4 | C5 | 112.2° | 111.2° |
| C3 | N4 | C7 | 114.0° | 111.0° |
| N4 | C3 | H3 | 109.1° | 109.5° |
| N4 | C3 | H3A | 109.1° | 109.5° |
| C5 | N4 | C7 | 110.1° | 111.0° |
| N4 | C5 | C6 | 109.7° | 109.6° |
| N4 | C5 | H5 | 109.4° | 109.4° |
| N4 | C5 | H5A | 109.4° | 109.4° |
| N4 | C7 | C8 | 113.2° | 109.5° |
| N4 | C7 | H7 | 108.2° | 109.4° |
| N4 | C7 | H7A | 108.2° | 109.5° |
| C6 | C5 | H5 | 109.4° | 109.5° |
| C6 | C5 | H5A | 109.4° | 109.5° |
| C5 | C6 | H6 | 110.1° | 109.5° |
| C5 | C6 | H6A | 110.1° | 109.5° |
| C7 | C8 | O9 | 118.7° | 120.0° |
| C7 | C8 | N10 | 116.1° | 120.0° |
| C8 | C7 | H7 | 108.3° | 109.5° |
| C8 | C7 | H7A | 108.2° | 109.5° |
| O9 | C8 | N10 | 125.2° | 120.0° |
| C8 | N10 | C11 | 119.6° | 120.0° |
| C8 | N10 | HN10 | 120.2° | 120.0° |
| N10 | C11 | C12 | 122.4° | 120.0° |
| N10 | C11 | C16 | 117.1° | 120.0° |
| C11 | N10 | HN10 | 120.2° | 120.0° |
| C12 | C11 | C16 | 120.5° | 120.0° |
| C11 | C12 | C13 | 116.4° | 120.0° |
| C11 | C12 | H12 | 121.8° | 120.0° |
| C11 | C16 | C15 | 122.7° | 120.1° |
| C11 | C16 | H16 | 118.7° | 119.9° |
| C12 | C13 | C14 | 122.3° | 119.9° |
| C12 | C13 | O17 | 124.8° | 131.5° |
| C13 | C12 | H12 | 121.8° | 120.0° |
| C14 | C13 | O17 | 112.9° | 108.7° |
| C13 | C14 | C15 | 122.5° | 120.0° |
| C13 | C14 | O19 | 113.7° | 108.6° |
| C13 | O17 | C18 | 99.5° | 105.5° |
| C15 | C14 | O19 | 123.9° | 131.5° |
| C14 | C15 | C16 | 115.6° | 120.1° |
| C14 | C15 | H15 | 122.2° | 119.9° |
| C14 | O19 | C18 | 99.2° | 105.5° |
| C16 | C15 | H15 | 122.2° | 120.0° |
| C15 | C16 | H16 | 118.7° | 119.9° |
| O17 | C18 | O19 | 114.7° | 103.7° |
| O17 | C18 | H18 | 107.7° | 110.6° |
| O17 | C18 | H18A | 107.8° | 110.6° |
| O19 | C18 | H18 | 107.8° | 110.5° |
| O19 | C18 | H18A | 107.8° | 110.6° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H2 | C2 | H2A | 110.1° | 109.6° |
| H3 | C3 | H3A | 109.9° | 109.5° |
| H5 | C5 | H5A | 109.6° | 109.4° |
| H6 | C6 | H6A | 108.9° | 109.6° |
| H7 | C7 | H7A | 110.7° | 109.4° |
| H18 | C18 | H18A | 111.1° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 120.0° | 120.0° |
| C2 | C1 | C6 | H1A | 120.0° | 119.9° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 120.0° | 119.9° |
| C1 | C2 | C3 | N4 | 53.5° | 59.2° |
| C2 | C1 | C6 | C5 | 58.1° | 57.7° |
| C2 | C1 | H1 | H1A | 119.9° | 120.1° |
| C1 | C2 | H2 | H2A | 119.2° | 120.2° |
| C1 | C2 | C3 | H3 | 173.4° | 179.2° |
| C1 | C2 | C3 | H3A | 66.5° | 60.9° |
| C2 | C1 | C6 | H6 | 178.1° | 177.6° |
| C2 | C1 | C6 | H6A | 61.9° | 62.3° |
| C6 | C1 | C2 | C3 | 54.8° | 57.7° |
| C1 | C6 | C5 | N4 | 61.6° | 59.2° |
| C1 | C6 | C5 | H6 | 120.0° | 119.9° |
| C1 | C6 | C5 | H6A | 120.0° | 119.9° |
| C6 | C1 | H1 | H1A | 119.9° | 120.2° |
| C6 | C1 | C2 | H2 | 65.2° | 62.2° |
| C6 | C1 | C2 | H2A | 174.9° | 177.6° |
| C1 | C6 | C5 | H5 | 178.4° | 179.2° |
| C1 | C6 | C5 | H5A | 58.4° | 60.9° |
| C1 | C6 | H6 | H6A | 120.7° | 120.1° |
| C2 | C3 | N4 | H3 | 120.0° | 120.0° |
| C2 | C3 | N4 | H3A | 120.0° | 120.1° |
| C2 | C3 | N4 | C5 | 57.4° | 61.8° |
| C2 | C3 | N4 | C7 | 176.7° | 174.1° |
| C3 | C2 | C1 | H1 | 65.2° | 62.3° |
| C3 | C2 | C1 | H1A | 174.9° | 177.6° |
| C3 | C2 | H2 | H2A | 119.2° | 120.1° |
| C2 | C3 | H3 | H3A | 119.5° | 119.9° |
| C3 | N4 | C5 | C7 | 128.0° | 124.1° |
| C3 | N4 | C5 | C6 | 62.4° | 61.7° |
| C3 | N4 | C7 | C8 | 98.0° | 170.0° |
| N4 | C3 | C2 | H2 | 66.5° | 60.7° |
| N4 | C3 | C2 | H2A | 173.5° | 179.2° |
| N4 | C3 | H3 | H3A | 119.5° | 120.0° |
| C3 | N4 | C5 | H5 | 177.6° | 178.2° |
| C3 | N4 | C5 | H5A | 57.6° | 58.3° |
| C3 | N4 | C7 | H7 | 22.0° | 50.0° |
| C3 | N4 | C7 | H7A | 142.0° | 69.9° |
| N4 | C5 | C6 | H5 | 120.0° | 120.0° |
| N4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C5 | N4 | C7 | C8 | 135.0° | 65.8° |
| C5 | N4 | C3 | H3 | 177.4° | 178.3° |
| C5 | N4 | C3 | H3A | 62.6° | 58.3° |
| N4 | C5 | H5 | H5A | 119.9° | 119.9° |
| N4 | C5 | C6 | H6 | 178.3° | 179.1° |
| N4 | C5 | C6 | H6A | 58.4° | 60.7° |
| C5 | N4 | C7 | H7 | 105.0° | 174.2° |
| C5 | N4 | C7 | H7A | 15.0° | 54.3° |
| C7 | N4 | C5 | C6 | 169.6° | 174.2° |
| N4 | C7 | C8 | H7 | 120.0° | 120.0° |
| N4 | C7 | C8 | H7A | 120.0° | 120.0° |
| N4 | C7 | C8 | O9 | 2.7° | 0.0° |
| N4 | C7 | C8 | N10 | 178.3° | 180.0° |
| C7 | N4 | C3 | H3 | 56.7° | 54.2° |
| C7 | N4 | C3 | H3A | 63.3° | 65.8° |
| C7 | N4 | C5 | H5 | 49.6° | 54.1° |
| C7 | N4 | C5 | H5A | 70.4° | 65.8° |
| N4 | C7 | H7 | H7A | 118.5° | 120.0° |
| C5 | C6 | C1 | H1 | 61.9° | 62.3° |
| C5 | C6 | C1 | H1A | 178.1° | 177.5° |
| C6 | C5 | H5 | H5A | 119.9° | 120.0° |
| C5 | C6 | H6 | H6A | 120.7° | 120.1° |
| C7 | C8 | O9 | N10 | 178.9° | 180.0° |
| C7 | C8 | N10 | C11 | 108.3° | 175.4° |
| C8 | C7 | H7 | H7A | 118.4° | 120.0° |
| C7 | C8 | N10 | HN10 | 71.7° | 4.6° |
| O9 | C8 | N10 | C11 | 70.6° | 4.6° |
| O9 | C8 | C7 | H7 | 117.4° | 120.0° |
| O9 | C8 | C7 | H7A | 122.7° | 120.0° |
| O9 | C8 | N10 | HN10 | 109.4° | 175.4° |
| C8 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C8 | N10 | C11 | C12 | 111.9° | 35.1° |
| C8 | N10 | C11 | C16 | 68.1° | 145.2° |
| N10 | C8 | C7 | H7 | 61.7° | 60.0° |
| N10 | C8 | C7 | H7A | 58.3° | 60.0° |
| N10 | C11 | C12 | C16 | 180.0° | 179.7° |
| N10 | C11 | C12 | C13 | 180.0° | 180.0° |
| N10 | C11 | C16 | C15 | 179.9° | 179.8° |
| N10 | C11 | C12 | H12 | 0.0° | 0.1° |
| N10 | C11 | C16 | H16 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | O17 | 179.8° | 180.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.5° |
| C12 | C11 | N10 | HN10 | 68.1° | 144.9° |
| C12 | C11 | C16 | H16 | 179.9° | 179.7° |
| C16 | C11 | C12 | C13 | 0.0° | 0.3° |
| C11 | C16 | C15 | C14 | 0.2° | 0.4° |
| C11 | C16 | C15 | H16 | 180.0° | 179.8° |
| C16 | C11 | N10 | HN10 | 111.9° | 34.8° |
| C16 | C11 | C12 | H12 | 180.0° | 179.8° |
| C11 | C16 | C15 | H15 | 179.8° | 179.7° |
| C12 | C13 | C14 | O17 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | O19 | 180.0° | 180.0° |
| C12 | C13 | O17 | C18 | 179.7° | 162.7° |
| C13 | C14 | C15 | O19 | 179.7° | 179.9° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C14 | C13 | O17 | C18 | 0.4° | 17.3° |
| C13 | C14 | O19 | C18 | 0.3° | 17.3° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.7° | 180.0° |
| O17 | C13 | C14 | C15 | 179.7° | 180.0° |
| O17 | C13 | C14 | O19 | 0.1° | 0.0° |
| C13 | O17 | C18 | O19 | 0.6° | 27.2° |
| O17 | C13 | C12 | H12 | 0.2° | 0.0° |
| C13 | O17 | C18 | H18 | 119.4° | 145.7° |
| C13 | O17 | C18 | H18A | 120.7° | 91.4° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C15 | C14 | O19 | C18 | 179.9° | 162.6° |
| C14 | C15 | C16 | H16 | 179.8° | 179.8° |
| O19 | C14 | C15 | C16 | 180.0° | 179.8° |
| C14 | O19 | C18 | O17 | 0.6° | 27.2° |
| O19 | C14 | C15 | H15 | 0.0° | 0.1° |
| C14 | O19 | C18 | H18 | 119.4° | 145.7° |
| C14 | O19 | C18 | H18A | 120.6° | 91.4° |
| O17 | C18 | O19 | H18 | 120.0° | 118.5° |
| O17 | C18 | O19 | H18A | 120.0° | 118.6° |
| O17 | C18 | H18 | H18A | 117.8° | 122.9° |
| O19 | C18 | H18 | H18A | 117.8° | 122.9° |
| H1 | C1 | C2 | H2 | 174.8° | 177.8° |
| H1 | C1 | C2 | H2A | 54.8° | 57.6° |
| H1 | C1 | C6 | H6 | 58.1° | 57.6° |
| H1 | C1 | C6 | H6A | 178.1° | 177.8° |
| H1A | C1 | C2 | H2 | 54.9° | 57.7° |
| H1A | C1 | C2 | H2A | 65.1° | 62.5° |
| H1A | C1 | C6 | H6 | 61.9° | 62.5° |
| H1A | C1 | C6 | H6A | 58.1° | 57.6° |
| H2 | C2 | C3 | H3 | 53.5° | 59.3° |
| H2 | C2 | C3 | H3A | 173.5° | 179.2° |
| H2A | C2 | C3 | H3 | 66.5° | 60.9° |
| H2A | C2 | C3 | H3A | 53.5° | 59.1° |
| H5 | C5 | C6 | H6 | 58.3° | 60.9° |
| H5 | C5 | C6 | H6A | 61.7° | 59.3° |
| H5A | C5 | C6 | H6 | 61.7° | 59.1° |
| H5A | C5 | C6 | H6A | 178.3° | 179.2° |
| H15 | C15 | C16 | H16 | 0.2° | 0.1° |
