F58
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| N1 | C7 | sing | 1.35Å | 1.36Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| N2 | C7 | sing | 1.35Å | 1.36Å | |
| N2 | C8 | sing | 1.35Å | 1.37Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| 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 | 1.23Å | |
| C8 | O8 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C14 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| 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 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 111.8° | 109.5° |
| N1 | C1 | O5 | 112.5° | 109.5° |
| C1 | N1 | C7 | 121.9° | 120.0° |
| N1 | C1 | H1 | 107.9° | 109.5° |
| C1 | N1 | HN1 | 119.0° | 120.1° |
| C2 | C1 | O5 | 108.8° | 109.4° |
| C1 | C2 | O2 | 110.7° | 109.5° |
| C1 | C2 | C3 | 109.7° | 109.1° |
| C2 | C1 | H1 | 107.2° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.5° |
| C1 | O5 | C5 | 109.7° | 114.1° |
| O5 | C1 | H1 | 108.4° | 109.5° |
| N1 | C7 | N2 | 118.7° | 120.0° |
| N1 | C7 | O7 | 120.0° | 120.0° |
| C7 | N1 | HN1 | 119.1° | 120.0° |
| O2 | C2 | C3 | 110.7° | 109.5° |
| O2 | C2 | H2 | 109.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 110.3° | 109.5° |
| C2 | C3 | C4 | 110.8° | 109.1° |
| C3 | C2 | H2 | 108.1° | 109.6° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| C7 | N2 | C8 | 120.6° | 120.0° |
| N2 | C7 | O7 | 121.3° | 120.0° |
| C7 | N2 | HN2 | 119.7° | 120.1° |
| N2 | C8 | O8 | 125.3° | 120.0° |
| N2 | C8 | C9 | 116.5° | 120.0° |
| C8 | N2 | HN2 | 119.7° | 120.0° |
| O3 | C3 | C4 | 109.1° | 109.6° |
| O3 | C3 | H3 | 109.7° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| C3 | C4 | O4 | 109.4° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.1° |
| C4 | C3 | H3 | 108.4° | 109.7° |
| C3 | C4 | H4 | 108.4° | 109.5° |
| O4 | C4 | C5 | 109.9° | 109.5° |
| O4 | C4 | H4 | 109.7° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 110.4° | 109.4° |
| C4 | C5 | C6 | 111.4° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.6° |
| C4 | C5 | H5 | 108.8° | 109.6° |
| O5 | C5 | C6 | 106.9° | 109.4° |
| O5 | C5 | H5 | 110.3° | 109.5° |
| C5 | C6 | O6 | 110.0° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| O6 | C6 | H61 | 109.4° | 109.5° |
| O6 | C6 | H62 | 109.3° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O8 | C8 | C9 | 118.1° | 120.0° |
| C8 | C9 | C10 | 114.6° | 109.5° |
| C8 | C9 | C14 | 111.8° | 109.4° |
| C8 | C9 | H9 | 106.0° | 109.5° |
| C10 | C9 | C14 | 111.6° | 109.4° |
| C9 | C10 | C11 | 109.3° | 109.5° |
| C10 | C9 | H9 | 106.1° | 109.5° |
| C9 | C10 | H10 | 109.6° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.4° |
| C9 | C14 | C13 | 109.5° | 109.5° |
| C14 | C9 | H9 | 106.1° | 109.5° |
| C9 | C14 | H14 | 109.5° | 109.4° |
| C9 | C14 | H14A | 109.5° | 109.5° |
| C10 | C11 | C12 | 110.3° | 109.5° |
| C11 | C10 | H10 | 109.5° | 109.5° |
| C11 | C10 | H10A | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.2° | 109.4° |
| C10 | C11 | H11A | 109.3° | 109.5° |
| C11 | C12 | C13 | 111.5° | 109.5° |
| C12 | C11 | H11 | 109.3° | 109.5° |
| C12 | C11 | H11A | 109.3° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H12A | 109.0° | 109.5° |
| C12 | C13 | C14 | 110.2° | 109.4° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.5° |
| C12 | C13 | H13 | 109.3° | 109.5° |
| C12 | C13 | H13A | 109.3° | 109.5° |
| C14 | C13 | H13 | 109.3° | 109.5° |
| C14 | C13 | H13A | 109.3° | 109.5° |
| C13 | C14 | H14 | 109.4° | 109.4° |
| C13 | C14 | H14A | 109.4° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | O5 | 124.9° | 119.9° |
| N1 | C1 | C2 | H1 | 118.1° | 120.1° |
| N1 | C1 | O5 | H1 | 119.3° | 120.1° |
| C1 | N1 | C7 | HN1 | 180.0° | 179.9° |
| N1 | C1 | C2 | O2 | 51.5° | 62.6° |
| N1 | C1 | C2 | C3 | 174.0° | 177.5° |
| C1 | N1 | C7 | N2 | 179.4° | 180.0° |
| N1 | C1 | O5 | C5 | 167.3° | 178.9° |
| C1 | N1 | C7 | O7 | 0.9° | 0.1° |
| N1 | C1 | C2 | H2 | 68.3° | 57.6° |
| C2 | C1 | O5 | H1 | 116.3° | 120.0° |
| C2 | C1 | N1 | C7 | 140.8° | 145.0° |
| C1 | C2 | O2 | C3 | 121.9° | 119.6° |
| C1 | C2 | O2 | H2 | 119.1° | 120.1° |
| C1 | C2 | C3 | H2 | 117.7° | 119.9° |
| C1 | C2 | C3 | O3 | 172.2° | 176.9° |
| C1 | C2 | C3 | C4 | 51.2° | 57.0° |
| C2 | C1 | O5 | C5 | 68.3° | 61.2° |
| C2 | C1 | N1 | HN1 | 39.2° | 34.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 67.7° | 63.0° |
| O5 | C1 | N1 | C7 | 96.4° | 95.1° |
| O5 | C1 | C2 | O2 | 176.4° | 177.5° |
| O5 | C1 | C2 | C3 | 61.1° | 57.6° |
| C1 | O5 | C5 | C4 | 64.4° | 61.2° |
| C1 | O5 | C5 | C6 | 174.3° | 178.8° |
| O5 | C1 | N1 | HN1 | 83.6° | 85.0° |
| O5 | C1 | C2 | H2 | 56.6° | 62.4° |
| C1 | O5 | C5 | H5 | 55.9° | 58.8° |
| N1 | C7 | N2 | O7 | 179.7° | 179.9° |
| N1 | C7 | N2 | C8 | 179.5° | NaN° |
| C7 | N1 | C1 | H1 | 23.2° | 24.9° |
| N1 | C7 | N2 | HN2 | 0.5° | 0.1° |
| O2 | C2 | C3 | H2 | 119.8° | 120.2° |
| O2 | C2 | C3 | O3 | 65.4° | 63.2° |
| O2 | C2 | C3 | C4 | 173.7° | 176.9° |
| O2 | C2 | C1 | H1 | 66.6° | 57.5° |
| O2 | C2 | C3 | H3 | 54.8° | 56.8° |
| C2 | C3 | O3 | C4 | 122.0° | 119.6° |
| C2 | C3 | O3 | H3 | 119.3° | 120.1° |
| C2 | C3 | C4 | H3 | 118.8° | 120.0° |
| C2 | C3 | C4 | O4 | 169.1° | 176.9° |
| C2 | C3 | C4 | C5 | 47.6° | 57.0° |
| C3 | C2 | C1 | H1 | 55.9° | 62.4° |
| C3 | C2 | O2 | HO2 | 58.1° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 71.3° | 62.9° |
| C7 | N2 | C8 | HN2 | 180.0° | 179.9° |
| C7 | N2 | C8 | O8 | 1.3° | 0.1° |
| C7 | N2 | C8 | C9 | 179.3° | 180.0° |
| N2 | C7 | N1 | HN1 | 0.6° | 0.1° |
| C8 | N2 | C7 | O7 | 0.2° | 0.1° |
| N2 | C8 | O8 | C9 | 178.0° | 179.9° |
| N2 | C8 | C9 | C10 | 5.1° | 180.0° |
| N2 | C8 | C9 | C14 | 123.2° | 60.1° |
| N2 | C8 | C9 | H9 | 121.7° | 59.9° |
| O3 | C3 | C4 | H3 | 119.5° | 120.2° |
| O3 | C3 | C4 | O4 | 69.2° | 63.3° |
| O3 | C3 | C4 | C5 | 169.3° | 176.9° |
| O3 | C3 | C2 | H2 | 54.4° | 57.0° |
| O3 | C3 | C4 | H4 | 50.4° | 56.9° |
| C3 | C4 | O4 | C5 | 122.3° | 119.6° |
| C3 | C4 | O4 | H4 | 118.8° | 120.1° |
| C3 | C4 | C5 | H4 | 119.0° | 119.9° |
| C3 | C4 | C5 | O5 | 53.7° | 57.6° |
| C3 | C4 | C5 | C6 | 172.4° | 177.6° |
| C4 | C3 | C2 | H2 | 66.5° | 62.9° |
| C4 | C3 | O3 | HO3 | 58.0° | 179.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 67.4° | 62.3° |
| O4 | C4 | C5 | H4 | 119.8° | 120.2° |
| O4 | C4 | C5 | O5 | 175.0° | 177.5° |
| O4 | C4 | C5 | C6 | 66.4° | 62.6° |
| O4 | C4 | C3 | H3 | 50.3° | 56.9° |
| O4 | C4 | C5 | H5 | 53.8° | 57.5° |
| C4 | C5 | O5 | C6 | 121.3° | 119.9° |
| C4 | C5 | O5 | H5 | 120.3° | 120.1° |
| C4 | C5 | C6 | H5 | 120.1° | 120.1° |
| C4 | C5 | C6 | O6 | 48.5° | 175.0° |
| C5 | C4 | C3 | H3 | 71.2° | 62.9° |
| C5 | C4 | O4 | HO4 | 57.7° | 179.6° |
| C4 | C5 | C6 | H61 | 168.6° | 55.0° |
| C4 | C5 | C6 | H62 | 71.5° | 65.0° |
| O5 | C5 | C6 | H5 | 119.2° | 120.0° |
| O5 | C5 | C6 | O6 | 72.2° | 65.1° |
| C5 | O5 | C1 | H1 | 48.0° | 58.8° |
| O5 | C5 | C4 | H4 | 65.2° | 62.3° |
| O5 | C5 | C6 | H61 | 47.9° | 174.9° |
| O5 | C5 | C6 | H62 | 167.8° | 54.9° |
| C5 | C6 | O6 | H61 | 120.1° | 120.0° |
| C5 | C6 | O6 | H62 | 120.1° | 120.0° |
| C6 | C5 | C4 | H4 | 53.4° | 57.6° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 168.6° | 54.9° |
| O6 | C6 | H61 | H62 | 119.8° | 119.9° |
| O7 | C7 | N1 | HN1 | 179.1° | 179.9° |
| O7 | C7 | N2 | HN2 | 179.8° | 180.0° |
| O8 | C8 | C9 | C10 | 173.1° | 0.1° |
| O8 | C8 | C9 | C14 | 58.7° | 120.0° |
| O8 | C8 | N2 | HN2 | 178.6° | 180.0° |
| O8 | C8 | C9 | H9 | 56.4° | 120.0° |
| C8 | C9 | C10 | C14 | 128.3° | 120.0° |
| C8 | C9 | C10 | H9 | 116.6° | 120.0° |
| C8 | C9 | C14 | H9 | 115.1° | 120.0° |
| C8 | C9 | C10 | C11 | 172.7° | 180.0° |
| C8 | C9 | C14 | C13 | 170.8° | 180.0° |
| C9 | C8 | N2 | HN2 | 0.6° | 0.1° |
| C8 | C9 | C10 | H10 | 67.4° | 60.0° |
| C8 | C9 | C10 | H10A | 52.7° | 60.0° |
| C8 | C9 | C14 | H14 | 50.8° | 60.0° |
| C8 | C9 | C14 | H14A | 69.2° | 60.0° |
| C10 | C9 | C14 | H9 | 115.1° | 120.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 119.9° | 119.9° |
| C9 | C10 | C11 | C12 | 56.8° | 60.0° |
| C10 | C9 | C14 | C13 | 59.4° | 60.0° |
| C9 | C10 | H10 | H10A | 120.1° | 120.0° |
| C9 | C10 | C11 | H11 | 176.9° | 180.0° |
| C9 | C10 | C11 | H11A | 63.4° | 60.0° |
| C10 | C9 | C14 | H14 | 179.4° | 180.0° |
| C10 | C9 | C14 | H14A | 60.6° | 60.0° |
| C14 | C9 | C10 | C11 | 59.0° | 60.0° |
| C9 | C14 | C13 | C12 | 57.2° | 60.0° |
| C9 | C14 | C13 | H14 | 120.0° | 120.0° |
| C9 | C14 | C13 | H14A | 120.0° | 120.0° |
| C14 | C9 | C10 | H10 | 61.0° | 60.0° |
| C14 | C9 | C10 | H10A | 178.9° | 180.0° |
| C9 | C14 | C13 | H13 | 177.3° | 180.0° |
| C9 | C14 | C13 | H13A | 62.9° | 60.0° |
| C9 | C14 | H14 | H14A | 120.0° | 120.0° |
| C10 | C11 | C12 | H11 | 120.1° | 120.0° |
| C10 | C11 | C12 | H11A | 120.1° | 120.0° |
| C10 | C11 | C12 | C13 | 56.7° | 60.0° |
| C11 | C10 | C9 | H9 | 56.1° | 60.0° |
| C11 | C10 | H10 | H10A | 120.1° | 120.0° |
| C10 | C11 | H11 | H11A | 119.6° | 120.0° |
| C10 | C11 | C12 | H12 | 63.6° | 60.0° |
| C10 | C11 | C12 | H12A | 177.0° | 180.0° |
| C11 | C12 | C13 | H12 | 120.3° | 120.0° |
| C11 | C12 | C13 | H12A | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 56.9° | 60.0° |
| C12 | C11 | C10 | H10 | 63.2° | 60.0° |
| C12 | C11 | C10 | H10A | 176.7° | 180.0° |
| C12 | C11 | H11 | H11A | 119.6° | 120.0° |
| C11 | C12 | H12 | H12A | 119.1° | 120.0° |
| C11 | C12 | C13 | H13 | 177.0° | 180.0° |
| C11 | C12 | C13 | H13A | 63.2° | 60.0° |
| C12 | C13 | C14 | H13 | 120.1° | 120.0° |
| C12 | C13 | C14 | H13A | 120.1° | 120.0° |
| C13 | C12 | C11 | H11 | 176.8° | 180.0° |
| C13 | C12 | C11 | H11A | 63.4° | 60.0° |
| C13 | C12 | H12 | H12A | 119.1° | 120.0° |
| C12 | C13 | H13 | H13A | 119.7° | 120.0° |
| C12 | C13 | C14 | H14 | 177.2° | 180.0° |
| C12 | C13 | C14 | H14A | 62.8° | 60.0° |
| C13 | C14 | C9 | H9 | 55.7° | 60.0° |
| C14 | C13 | C12 | H12 | 63.4° | 60.0° |
| C14 | C13 | C12 | H12A | 177.2° | 180.0° |
| C14 | C13 | H13 | H13A | 119.7° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| H1 | C1 | N1 | HN1 | 156.8° | 155.0° |
| H1 | C1 | C2 | H2 | 173.6° | 177.7° |
| H2 | C2 | O2 | HO2 | 60.9° | 60.1° |
| H2 | C2 | C3 | H3 | 174.6° | 177.1° |
| H3 | C3 | O3 | HO3 | 60.7° | 60.1° |
| H3 | C3 | C4 | H4 | 169.9° | 177.1° |
| H4 | C4 | O4 | HO4 | 61.2° | 60.1° |
| H4 | C4 | C5 | H5 | 173.6° | 177.7° |
| H5 | C5 | C6 | H61 | 71.3° | 65.1° |
| H5 | C5 | C6 | H62 | 48.6° | 174.9° |
| H61 | C6 | O6 | HO6 | 59.9° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.9° | 60.0° |
| H9 | C9 | C10 | H10 | 176.1° | 180.0° |
| H9 | C9 | C10 | H10A | 63.9° | 60.0° |
| H9 | C9 | C14 | H14 | 64.3° | 60.0° |
| H9 | C9 | C14 | H14A | 175.7° | 180.0° |
| H10 | C10 | C11 | H11 | 56.9° | 60.0° |
| H10 | C10 | C11 | H11A | 176.6° | 180.0° |
| H10A | C10 | C11 | H11 | 63.2° | 60.0° |
| H10A | C10 | C11 | H11A | 56.6° | 60.0° |
| H11 | C11 | C12 | H12 | 56.5° | 60.0° |
| H11 | C11 | C12 | H12A | 62.9° | 60.0° |
| H11A | C11 | C12 | H12 | 176.3° | 180.0° |
| H11A | C11 | C12 | H12A | 56.9° | 60.0° |
| H12 | C12 | C13 | H13 | 56.7° | 60.0° |
| H12 | C12 | C13 | H13A | 176.5° | 180.0° |
| H12A | C12 | C13 | H13 | 62.7° | 60.0° |
| H12A | C12 | C13 | H13A | 57.1° | 60.0° |
| H13 | C13 | C14 | H14 | 62.7° | 60.1° |
| H13 | C13 | C14 | H14A | 57.3° | 60.0° |
| H13A | C13 | C14 | H14 | 57.1° | 60.0° |
| H13A | C13 | C14 | H14A | 177.1° | 180.0° |
