F85
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.47Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| N2 | C7 | sing | 1.35Å | 1.35Å | |
| N2 | C8 | sing | 1.35Å | 1.34Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C7 | O7 | doub | 1.22Å | 1.24Å | |
| C8 | O8 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.48Å | 1.55Å | |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C15 | sing | 1.51Å | 1.56Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C18 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 111.3° | 109.5° |
| N1 | C1 | O5 | 111.3° | 109.5° |
| C1 | N1 | C7 | 121.1° | 120.0° |
| N1 | C1 | H1 | 108.8° | 109.5° |
| C1 | N1 | HN1 | 119.5° | 120.0° |
| C2 | C1 | O5 | 108.2° | 109.4° |
| C1 | C2 | O2 | 110.3° | 109.5° |
| C1 | C2 | C3 | 108.8° | 109.2° |
| C2 | C1 | H1 | 108.1° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C1 | O5 | C5 | 110.7° | 114.1° |
| O5 | C1 | H1 | 109.0° | 109.5° |
| N1 | C7 | N2 | 115.2° | 120.0° |
| N1 | C7 | O7 | 121.1° | 120.0° |
| C7 | N1 | HN1 | 119.5° | 120.0° |
| O2 | C2 | C3 | 111.4° | 109.5° |
| O2 | C2 | H2 | 109.7° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 110.8° | 109.5° |
| C2 | C3 | C4 | 110.4° | 109.0° |
| C3 | C2 | H2 | 108.2° | 109.6° |
| C2 | C3 | H3 | 108.1° | 109.6° |
| C7 | N2 | C8 | 126.1° | 120.0° |
| N2 | C7 | O7 | 123.7° | 120.1° |
| C7 | N2 | HN2 | 116.9° | 120.1° |
| N2 | C8 | O8 | 125.0° | 120.0° |
| N2 | C8 | C9 | 115.3° | 120.0° |
| C8 | N2 | HN2 | 117.0° | 120.0° |
| O3 | C3 | C4 | 109.6° | 109.6° |
| O3 | C3 | H3 | 109.7° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 109.3° | 109.5° |
| C3 | C4 | C5 | 111.9° | 109.2° |
| C4 | C3 | H3 | 108.1° | 109.6° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| O4 | C4 | C5 | 109.7° | 109.6° |
| O4 | C4 | H4 | 109.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| C4 | C5 | O5 | 111.1° | 109.4° |
| C4 | C5 | C6 | 112.8° | 109.5° |
| C5 | C4 | H4 | 108.0° | 109.6° |
| C4 | C5 | H5 | 108.2° | 109.5° |
| O5 | C5 | C6 | 107.0° | 109.5° |
| O5 | C5 | H5 | 109.4° | 109.4° |
| C5 | C6 | O6 | 109.1° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C5 | C6 | H6 | 109.6° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.4° |
| O6 | C6 | H6 | 109.6° | 109.5° |
| O6 | C6 | H6A | 109.6° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O8 | C8 | C9 | 119.7° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.1° |
| C8 | C9 | C14 | 120.3° | 120.1° |
| C10 | C9 | C14 | 119.5° | 119.7° |
| C9 | C10 | C11 | 120.1° | 119.8° |
| C9 | C10 | H10 | 120.0° | 120.1° |
| C9 | C14 | C13 | 120.2° | 119.8° |
| C9 | C14 | H14 | 119.9° | 120.1° |
| C10 | C11 | C12 | 120.9° | 120.1° |
| C11 | C10 | H10 | 119.9° | 120.1° |
| C10 | C11 | H11 | 119.6° | 119.9° |
| C11 | C12 | C13 | 118.5° | 120.3° |
| C11 | C12 | C15 | 119.9° | 119.9° |
| C12 | C11 | H11 | 119.5° | 119.9° |
| C13 | C12 | C15 | 121.6° | 119.8° |
| C12 | C13 | C14 | 120.7° | 120.1° |
| C12 | C13 | H13 | 119.6° | 119.9° |
| C12 | C15 | C16 | 109.6° | 109.5° |
| C12 | C15 | C17 | 107.5° | 109.5° |
| C12 | C15 | C18 | 111.3° | 109.5° |
| C14 | C13 | H13 | 119.7° | 119.9° |
| C13 | C14 | H14 | 119.9° | 120.1° |
| C16 | C15 | C17 | 109.8° | 109.5° |
| C16 | C15 | C18 | 109.6° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H16A | 109.5° | 109.5° |
| C15 | C16 | H16B | 109.5° | 109.5° |
| C17 | C15 | C18 | 109.1° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C15 | C17 | H17A | 109.4° | 109.4° |
| C15 | C17 | H17B | 109.5° | 109.5° |
| C15 | C18 | H18 | 109.5° | 109.5° |
| C15 | C18 | H18A | 109.5° | 109.5° |
| C15 | C18 | H18B | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.4° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.4° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | O5 | 122.6° | 120.0° |
| N1 | C1 | C2 | H1 | 119.5° | 120.1° |
| N1 | C1 | O5 | H1 | 120.1° | 120.0° |
| C1 | N1 | C7 | HN1 | 180.0° | 179.9° |
| N1 | C1 | C2 | O2 | 51.4° | 62.5° |
| N1 | C1 | C2 | C3 | 173.9° | 177.6° |
| C1 | N1 | C7 | N2 | 179.6° | 179.9° |
| N1 | C1 | O5 | C5 | 170.2° | 178.9° |
| C1 | N1 | C7 | O7 | 0.2° | 0.0° |
| N1 | C1 | C2 | H2 | 68.7° | 57.5° |
| C2 | C1 | O5 | H1 | 117.4° | 120.0° |
| C2 | C1 | N1 | C7 | 147.2° | 145.0° |
| C1 | C2 | O2 | C3 | 120.9° | 119.7° |
| C1 | C2 | O2 | H2 | 119.2° | 120.1° |
| C1 | C2 | C3 | H2 | 117.5° | 120.0° |
| C1 | C2 | C3 | O3 | 176.4° | 176.8° |
| C1 | C2 | C3 | C4 | 54.7° | 57.0° |
| C2 | C1 | O5 | C5 | 67.2° | 61.1° |
| C2 | C1 | N1 | HN1 | 32.8° | 34.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C1 | C2 | C3 | H3 | 63.4° | 62.9° |
| O5 | C1 | N1 | C7 | 92.0° | 95.0° |
| O5 | C1 | C2 | O2 | 174.0° | 177.5° |
| O5 | C1 | C2 | C3 | 63.5° | 57.6° |
| C1 | O5 | C5 | C4 | 60.6° | 61.1° |
| C1 | O5 | C5 | C6 | 175.9° | 178.9° |
| O5 | C1 | N1 | HN1 | 88.0° | 85.1° |
| O5 | C1 | C2 | H2 | 53.9° | 62.5° |
| C1 | O5 | C5 | H5 | 58.8° | 58.9° |
| N1 | C7 | N2 | O7 | 179.3° | 179.9° |
| N1 | C7 | N2 | C8 | 179.0° | 180.0° |
| C7 | N1 | C1 | H1 | 28.2° | 24.9° |
| N1 | C7 | N2 | HN2 | 1.0° | 0.1° |
| O2 | C2 | C3 | H2 | 120.7° | 120.1° |
| O2 | C2 | C3 | O3 | 61.8° | 63.3° |
| O2 | C2 | C3 | C4 | 176.5° | 176.9° |
| O2 | C2 | C1 | H1 | 68.1° | 57.6° |
| O2 | C2 | C3 | H3 | 58.4° | 57.0° |
| C2 | C3 | O3 | C4 | 122.1° | 119.5° |
| C2 | C3 | O3 | H3 | 119.3° | 120.2° |
| C2 | C3 | C4 | H3 | 118.1° | 119.9° |
| C2 | C3 | C4 | O4 | 170.4° | 176.9° |
| C2 | C3 | C4 | C5 | 48.6° | 57.0° |
| C3 | C2 | C1 | H1 | 54.4° | 62.4° |
| C3 | C2 | O2 | HO2 | 59.1° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
| C2 | C3 | C4 | H4 | 70.3° | 63.0° |
| C7 | N2 | C8 | HN2 | 180.0° | 179.9° |
| C7 | N2 | C8 | O8 | 1.5° | 0.0° |
| C7 | N2 | C8 | C9 | 179.5° | 179.9° |
| N2 | C7 | N1 | HN1 | 0.4° | 0.0° |
| C8 | N2 | C7 | O7 | 1.6° | 0.1° |
| N2 | C8 | O8 | C9 | 177.9° | 180.0° |
| N2 | C8 | C9 | C10 | 31.4° | 180.0° |
| N2 | C8 | C9 | C14 | 150.1° | 0.2° |
| O3 | C3 | C4 | H3 | 119.5° | 120.3° |
| O3 | C3 | C4 | O4 | 67.2° | 63.2° |
| O3 | C3 | C4 | C5 | 171.0° | 176.8° |
| O3 | C3 | C2 | H2 | 58.9° | 56.9° |
| O3 | C3 | C4 | H4 | 52.1° | 56.8° |
| C3 | C4 | O4 | C5 | 123.1° | 119.7° |
| C3 | C4 | O4 | H4 | 118.4° | 120.1° |
| C3 | C4 | C5 | H4 | 119.0° | 120.0° |
| C3 | C4 | C5 | O5 | 51.1° | 57.6° |
| C3 | C4 | C5 | C6 | 171.3° | 177.6° |
| C4 | C3 | C2 | H2 | 62.8° | 63.0° |
| C4 | C3 | O3 | HO3 | 57.9° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| C3 | C4 | C5 | H5 | 69.0° | 62.3° |
| O4 | C4 | C5 | H4 | 119.5° | 120.1° |
| O4 | C4 | C5 | O5 | 172.7° | 177.5° |
| O4 | C4 | C5 | C6 | 67.2° | 62.5° |
| O4 | C4 | C3 | H3 | 52.3° | 57.0° |
| O4 | C4 | C5 | H5 | 52.5° | 57.6° |
| C4 | C5 | O5 | C6 | 123.5° | 120.0° |
| C4 | C5 | O5 | H5 | 119.4° | 120.0° |
| C4 | C5 | C6 | H5 | 119.7° | 120.0° |
| C4 | C5 | C6 | O6 | 46.9° | 175.0° |
| C5 | C4 | C3 | H3 | 69.5° | 62.9° |
| C5 | C4 | O4 | HO4 | 56.9° | 179.6° |
| C4 | C5 | C6 | H6 | 166.9° | 55.0° |
| C4 | C5 | C6 | H6A | 73.0° | 65.0° |
| O5 | C5 | C6 | H5 | 117.9° | 120.0° |
| O5 | C5 | C6 | O6 | 75.5° | 65.0° |
| C5 | O5 | C1 | H1 | 50.1° | 58.9° |
| O5 | C5 | C4 | H4 | 67.8° | 62.4° |
| O5 | C5 | C6 | H6 | 44.5° | 175.0° |
| O5 | C5 | C6 | H6A | 164.6° | 55.0° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 119.9° | 120.0° |
| C6 | C5 | C4 | H4 | 52.3° | 57.6° |
| C5 | C6 | H6 | H6A | 120.1° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 166.6° | 55.0° |
| O6 | C6 | H6 | H6A | 120.2° | 120.0° |
| O7 | C7 | N1 | HN1 | 179.8° | 179.9° |
| O7 | C7 | N2 | HN2 | 178.4° | 180.0° |
| O8 | C8 | C9 | C10 | 146.7° | 0.0° |
| O8 | C8 | C9 | C14 | 31.8° | 179.7° |
| O8 | C8 | N2 | HN2 | 178.5° | 179.9° |
| C8 | C9 | C10 | C14 | 178.5° | 179.8° |
| C8 | C9 | C10 | C11 | 179.7° | 180.0° |
| C8 | C9 | C14 | C13 | 179.4° | 179.7° |
| C9 | C8 | N2 | HN2 | 0.5° | 0.0° |
| C8 | C9 | C10 | H10 | 0.3° | 0.0° |
| C8 | C9 | C14 | H14 | 0.6° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C10 | C9 | C14 | C13 | 0.9° | 0.5° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C10 | C9 | C14 | H14 | 179.1° | 179.7° |
| C14 | C9 | C10 | C11 | 1.2° | 0.2° |
| C9 | C14 | C13 | C12 | 0.0° | 0.6° |
| C9 | C14 | C13 | H14 | 180.0° | 179.8° |
| C14 | C9 | C10 | H10 | 178.8° | 179.8° |
| C9 | C14 | C13 | H13 | 180.0° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C10 | C11 | C12 | C15 | 179.3° | 180.0° |
| C11 | C12 | C13 | C15 | 178.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.3° |
| C11 | C12 | C15 | C16 | 74.3° | 60.0° |
| C11 | C12 | C15 | C17 | 44.9° | 180.0° |
| C11 | C12 | C15 | C18 | 164.3° | 60.0° |
| C12 | C11 | C10 | H10 | 179.5° | 180.0° |
| C11 | C12 | C13 | H13 | 179.4° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C13 | C12 | C15 | C16 | 106.8° | 120.0° |
| C13 | C12 | C15 | C17 | 134.0° | 0.0° |
| C13 | C12 | C15 | C18 | 14.6° | 120.0° |
| C13 | C12 | C11 | H11 | 179.6° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.7° |
| C15 | C12 | C13 | C14 | 179.5° | 179.7° |
| C12 | C15 | C16 | C17 | 117.8° | 120.0° |
| C12 | C15 | C16 | C18 | 122.4° | 120.0° |
| C12 | C15 | C17 | C18 | 120.8° | 120.0° |
| C15 | C12 | C11 | H11 | 0.7° | 0.0° |
| C15 | C12 | C13 | H13 | 0.5° | 0.0° |
| C12 | C15 | C16 | H16 | 180.0° | 60.0° |
| C12 | C15 | C16 | H16A | 60.0° | 180.0° |
| C12 | C15 | C16 | H16B | 60.0° | 60.0° |
| C12 | C15 | C17 | H17 | 180.0° | 60.0° |
| C12 | C15 | C17 | H17A | 60.0° | 180.0° |
| C12 | C15 | C17 | H17B | 60.0° | 60.1° |
| C12 | C15 | C18 | H18 | 180.0° | 60.0° |
| C12 | C15 | C18 | H18A | 60.0° | 180.0° |
| C12 | C15 | C18 | H18B | 60.0° | 60.0° |
| C16 | C15 | C17 | C18 | 120.1° | 120.0° |
| C15 | C16 | H16 | H16A | 120.0° | 120.1° |
| C15 | C16 | H16 | H16B | 120.0° | 120.0° |
| C15 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C15 | C17 | H17 | 60.8° | 180.0° |
| C16 | C15 | C17 | H17A | 59.2° | 60.0° |
| C16 | C15 | C17 | H17B | 179.1° | 59.9° |
| C16 | C15 | C18 | H18 | 58.6° | 60.0° |
| C16 | C15 | C18 | H18A | 178.6° | 60.0° |
| C16 | C15 | C18 | H18B | 61.4° | 180.0° |
| C17 | C15 | C16 | H16 | 62.2° | 60.0° |
| C17 | C15 | C16 | H16A | 177.8° | 60.0° |
| C17 | C15 | C16 | H16B | 57.8° | 180.0° |
| C15 | C17 | H17 | H17A | 120.0° | 120.0° |
| C15 | C17 | H17 | H17B | 120.0° | 120.0° |
| C15 | C17 | H17A | H17B | 120.0° | 119.9° |
| C17 | C15 | C18 | H18 | 61.6° | 180.0° |
| C17 | C15 | C18 | H18A | 58.4° | 60.0° |
| C17 | C15 | C18 | H18B | 178.4° | 60.0° |
| C18 | C15 | C16 | H16 | 57.6° | 180.0° |
| C18 | C15 | C16 | H16A | 62.4° | 60.0° |
| C18 | C15 | C16 | H16B | 177.6° | 60.0° |
| C18 | C15 | C17 | H17 | 59.3° | 60.0° |
| C18 | C15 | C17 | H17A | 179.2° | 60.0° |
| C18 | C15 | C17 | H17B | 60.8° | 179.9° |
| C15 | C18 | H18 | H18A | 120.0° | 120.0° |
| C15 | C18 | H18 | H18B | 120.0° | 120.0° |
| C15 | C18 | H18A | H18B | 120.0° | 120.0° |
| H1 | C1 | N1 | HN1 | 151.8° | 155.0° |
| H1 | C1 | C2 | H2 | 171.9° | 177.6° |
| H2 | C2 | O2 | HO2 | 60.8° | 60.1° |
| H2 | C2 | C3 | H3 | 179.1° | 177.1° |
| H3 | C3 | O3 | HO3 | 60.7° | 60.2° |
| H3 | C3 | C4 | H4 | 171.6° | 177.1° |
| H4 | C4 | O4 | HO4 | 61.6° | 60.2° |
| H4 | C4 | C5 | H5 | 172.0° | 177.7° |
| H5 | C5 | C6 | H6 | 73.4° | 65.1° |
| H5 | C5 | C6 | H6A | 46.7° | 175.0° |
| H6 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H6A | C6 | O6 | HO6 | 60.1° | 60.0° |
| H10 | C10 | C11 | H11 | 0.5° | 0.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.1° |
| H16 | C16 | H16A | H16B | 119.9° | 120.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.1° |
| H18 | C18 | H18A | H18B | 120.0° | 119.9° |
