F55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | CL1 | sing | 1.74Å | 1.73Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.54Å | |
| C8 | O8 | doub | 1.21Å | 1.23Å | |
| C8 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | O7 | doub | 1.22Å | 1.24Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C9 | 120.2° | 119.8° |
| C14 | C13 | C12 | 119.6° | 120.2° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C14 | C13 | H13 | 120.2° | 119.9° |
| C14 | C9 | C10 | 120.0° | 119.8° |
| C14 | C9 | C8 | 119.5° | 120.1° |
| C9 | C14 | H14 | 119.9° | 120.1° |
| C13 | C12 | CL1 | 119.7° | 119.9° |
| C13 | C12 | C11 | 120.4° | 120.3° |
| C12 | C13 | H13 | 120.2° | 119.9° |
| CL1 | C12 | C11 | 119.9° | 119.8° |
| C12 | C11 | C10 | 120.0° | 120.1° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C10 | C9 | 119.7° | 119.9° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C11 | C10 | H10 | 120.1° | 120.0° |
| C10 | C9 | C8 | 120.5° | 120.1° |
| C9 | C10 | H10 | 120.1° | 120.1° |
| C9 | C8 | O8 | 120.1° | 120.0° |
| C9 | C8 | N2 | 114.7° | 120.0° |
| O8 | C8 | N2 | 125.2° | 120.0° |
| C8 | N2 | C7 | 125.1° | 120.0° |
| C8 | N2 | HN2 | 117.4° | 120.0° |
| N2 | C7 | O7 | 122.8° | 120.0° |
| N2 | C7 | N1 | 115.7° | 120.0° |
| C7 | N2 | HN2 | 117.4° | 120.0° |
| O7 | C7 | N1 | 121.5° | 120.0° |
| C7 | N1 | C1 | 121.1° | 120.0° |
| C7 | N1 | HN1 | 119.4° | 120.0° |
| N1 | C1 | O5 | 109.4° | 109.5° |
| N1 | C1 | C2 | 112.4° | 109.5° |
| C1 | N1 | HN1 | 119.4° | 120.0° |
| N1 | C1 | H1 | 107.0° | 109.5° |
| O5 | C1 | C2 | 107.8° | 109.4° |
| C1 | O5 | C5 | 110.9° | 114.1° |
| O5 | C1 | H1 | 111.7° | 109.5° |
| C1 | C2 | C3 | 110.3° | 109.2° |
| C1 | C2 | O2 | 110.6° | 109.5° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| O5 | C5 | C6 | 107.0° | 109.5° |
| O5 | C5 | C4 | 111.1° | 109.4° |
| O5 | C5 | H5 | 111.5° | 109.5° |
| C6 | C5 | C4 | 113.4° | 109.5° |
| C5 | C6 | O6 | 109.9° | 109.5° |
| C6 | C5 | H5 | 109.1° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.2° | 109.5° |
| C5 | C4 | O4 | 109.8° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.1° |
| C4 | C5 | H5 | 104.8° | 109.5° |
| C5 | C4 | H4 | 107.5° | 109.5° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| O6 | C6 | H62 | 109.3° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C4 | C3 | 109.4° | 109.5° |
| O4 | C4 | H4 | 110.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 109.1° | 109.5° |
| C4 | C3 | C2 | 111.5° | 109.0° |
| C3 | C4 | H4 | 107.9° | 109.5° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| O3 | C3 | C2 | 109.9° | 109.5° |
| O3 | C3 | H3 | 110.1° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | O2 | 110.7° | 109.5° |
| C2 | C3 | H3 | 107.7° | 109.6° |
| C3 | C2 | H2 | 108.5° | 109.6° |
| O2 | C2 | H2 | 108.1° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C9 | H14 | 180.0° | 179.7° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | CL1 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C9 | C10 | 0.1° | 0.0° |
| C13 | C14 | C9 | C8 | 179.8° | 180.0° |
| C9 | C14 | C13 | C12 | 0.0° | 0.0° |
| C14 | C9 | C10 | C11 | 0.2° | 0.0° |
| C14 | C9 | C10 | C8 | 179.9° | 180.0° |
| C14 | C9 | C8 | O8 | 32.5° | 0.0° |
| C14 | C9 | C8 | N2 | 147.3° | 180.0° |
| C9 | C14 | C13 | H13 | 180.0° | 180.0° |
| C14 | C9 | C10 | H10 | 179.8° | 180.0° |
| C13 | C12 | CL1 | C11 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.7° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| CL1 | C12 | C11 | C10 | 180.0° | 180.0° |
| CL1 | C12 | C13 | H13 | 0.1° | 0.0° |
| CL1 | C12 | C11 | H11 | 0.0° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | H10 | 179.9° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 179.7° | 180.0° |
| C10 | C9 | C8 | O8 | 147.6° | 180.0° |
| C10 | C9 | C8 | N2 | 32.6° | 0.0° |
| C10 | C9 | C14 | H14 | 179.9° | 179.7° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C9 | C8 | O8 | N2 | 179.8° | 180.0° |
| C9 | C8 | N2 | C7 | 179.6° | 180.0° |
| C8 | C9 | C14 | H14 | 0.2° | 0.3° |
| C8 | C9 | C10 | H10 | 0.3° | 0.0° |
| C9 | C8 | N2 | HN2 | 0.4° | 0.0° |
| O8 | C8 | N2 | C7 | 0.2° | 0.0° |
| O8 | C8 | N2 | HN2 | 179.8° | 180.0° |
| C8 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C8 | N2 | C7 | O7 | 0.3° | 0.0° |
| C8 | N2 | C7 | N1 | 179.8° | 180.0° |
| N2 | C7 | O7 | N1 | 179.6° | 180.0° |
| N2 | C7 | N1 | C1 | 179.8° | 180.0° |
| N2 | C7 | N1 | HN1 | 0.3° | 0.0° |
| O7 | C7 | N1 | C1 | 0.2° | 0.1° |
| O7 | C7 | N2 | HN2 | 179.7° | 180.0° |
| O7 | C7 | N1 | HN1 | 179.9° | 180.0° |
| C7 | N1 | C1 | HN1 | 180.0° | 179.9° |
| C7 | N1 | C1 | O5 | 98.0° | 95.0° |
| C7 | N1 | C1 | C2 | 142.3° | 145.1° |
| N1 | C7 | N2 | HN2 | 0.2° | 0.0° |
| C7 | N1 | C1 | H1 | 23.2° | 25.1° |
| N1 | C1 | O5 | C2 | 122.5° | 120.0° |
| N1 | C1 | O5 | H1 | 118.2° | 120.0° |
| N1 | C1 | C2 | H1 | 118.2° | 120.0° |
| N1 | C1 | O5 | C5 | 169.5° | 178.9° |
| N1 | C1 | C2 | C3 | 178.1° | 177.7° |
| N1 | C1 | C2 | O2 | 55.2° | 62.5° |
| N1 | C1 | C2 | H2 | 63.2° | 57.7° |
| O5 | C1 | C2 | H1 | 121.2° | 120.0° |
| C1 | O5 | C5 | C6 | 173.1° | 178.8° |
| C1 | O5 | C5 | C4 | 62.6° | 61.2° |
| O5 | C1 | C2 | C3 | 61.2° | 57.6° |
| O5 | C1 | C2 | O2 | 175.9° | 177.5° |
| O5 | C1 | N1 | HN1 | 82.0° | 85.0° |
| C1 | O5 | C5 | H5 | 53.9° | 58.9° |
| O5 | C1 | C2 | H2 | 57.5° | 62.3° |
| C2 | C1 | O5 | C5 | 68.0° | 61.2° |
| C1 | C2 | C3 | C4 | 50.5° | 57.0° |
| C1 | C2 | C3 | O3 | 171.6° | 176.8° |
| C1 | C2 | C3 | O2 | 122.8° | 119.9° |
| C1 | C2 | C3 | H2 | 118.7° | 119.9° |
| C1 | C2 | O2 | H2 | 118.7° | 120.1° |
| C2 | C1 | N1 | HN1 | 37.7° | 35.0° |
| C1 | C2 | C3 | H3 | 68.4° | 62.9° |
| C1 | C2 | O2 | HO2 | 15.2° | 60.0° |
| O5 | C5 | C6 | C4 | 122.8° | 120.0° |
| O5 | C5 | C6 | H5 | 120.8° | 120.0° |
| O5 | C5 | C4 | H5 | 120.6° | 120.0° |
| O5 | C5 | C6 | O6 | 75.5° | 65.0° |
| O5 | C5 | C4 | O4 | 171.7° | 177.5° |
| O5 | C5 | C4 | C3 | 50.0° | 57.6° |
| C5 | O5 | C1 | H1 | 51.3° | 58.8° |
| O5 | C5 | C6 | H61 | 44.5° | 175.0° |
| O5 | C5 | C6 | H62 | 164.6° | 55.0° |
| O5 | C5 | C4 | H4 | 68.4° | 62.3° |
| C6 | C5 | C4 | H5 | 118.9° | 120.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 119.8° | 120.0° |
| C6 | C5 | C4 | O4 | 67.8° | 62.5° |
| C6 | C5 | C4 | C3 | 170.5° | 177.6° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 75.9° | 180.0° |
| C6 | C5 | C4 | H4 | 52.1° | 57.7° |
| C4 | C5 | C6 | O6 | 47.3° | 175.1° |
| C5 | C4 | O4 | C3 | 123.3° | 119.7° |
| C5 | C4 | O4 | H4 | 118.2° | 120.2° |
| C5 | C4 | C3 | H4 | 118.2° | 119.9° |
| C5 | C4 | C3 | O3 | 166.3° | 176.8° |
| C5 | C4 | C3 | C2 | 44.7° | 57.0° |
| C4 | C5 | C6 | H61 | 167.3° | 55.0° |
| C4 | C5 | C6 | H62 | 72.5° | 64.9° |
| C5 | C4 | O4 | HO4 | 14.3° | 179.9° |
| C5 | C4 | C3 | H3 | 73.7° | 63.0° |
| O6 | C6 | C5 | H5 | 163.7° | 55.0° |
| O6 | C6 | H61 | H62 | 119.9° | 120.0° |
| O4 | C4 | C3 | H4 | 119.9° | 120.1° |
| O4 | C4 | C3 | O3 | 71.7° | 63.3° |
| O4 | C4 | C3 | C2 | 166.7° | 176.9° |
| O4 | C4 | C5 | H5 | 51.2° | 57.5° |
| O4 | C4 | C3 | H3 | 48.3° | 57.0° |
| C4 | C3 | O3 | C2 | 122.6° | 119.5° |
| C4 | C3 | O3 | H3 | 118.9° | 120.2° |
| C4 | C3 | C2 | H3 | 118.9° | 119.9° |
| C4 | C3 | C2 | O2 | 173.3° | 176.9° |
| C3 | C4 | C5 | H5 | 70.6° | 62.4° |
| C3 | C4 | O4 | HO4 | 109.0° | 60.2° |
| C4 | C3 | O3 | HO3 | 84.2° | 180.0° |
| C4 | C3 | C2 | H2 | 68.2° | 62.9° |
| O3 | C3 | C2 | H3 | 120.0° | 120.3° |
| O3 | C3 | C2 | O2 | 65.5° | 63.3° |
| O3 | C3 | C4 | H4 | 48.1° | 56.9° |
| O3 | C3 | C2 | H2 | 52.9° | 56.9° |
| C3 | C2 | O2 | H2 | 118.7° | 120.2° |
| C3 | C2 | C1 | H1 | 59.9° | 62.3° |
| C2 | C3 | C4 | H4 | 73.4° | 62.9° |
| C2 | C3 | O3 | HO3 | 153.2° | 60.5° |
| C3 | C2 | O2 | HO2 | 137.8° | 179.6° |
| O2 | C2 | C1 | H1 | 62.9° | 57.5° |
| O2 | C2 | C3 | H3 | 54.4° | 57.0° |
| H14 | C14 | C13 | H13 | 0.0° | 0.3° |
| H11 | C11 | C10 | H10 | 0.1° | 0.0° |
| HN1 | N1 | C1 | H1 | 156.9° | 155.0° |
| H1 | C1 | C2 | H2 | 178.6° | 177.7° |
| H5 | C5 | C6 | H61 | 76.3° | 65.0° |
| H5 | C5 | C6 | H62 | 43.9° | 175.0° |
| H5 | C5 | C4 | H4 | 171.0° | 177.7° |
| H61 | C6 | O6 | HO6 | 164.2° | 60.0° |
| H62 | C6 | O6 | HO6 | 44.0° | 60.0° |
| H4 | C4 | O4 | HO4 | 132.5° | 59.9° |
| H4 | C4 | C3 | H3 | 168.1° | 177.1° |
| H3 | C3 | O3 | HO3 | 34.7° | 59.8° |
| H3 | C3 | C2 | H2 | 172.9° | 177.2° |
| H2 | C2 | O2 | HO2 | 103.5° | 60.2° |
