I0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | O5 | sing | 1.43Å | 1.48Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| N88 | C88 | trip | 1.14Å | 1.12Å | |
| C7 | O7 | doub | 1.22Å | 1.22Å | |
| C7 | C8 | sing | 1.47Å | 1.53Å | |
| C88 | C8 | sing | 1.43Å | 1.40Å | |
| C8 | C9 | doub | 1.38Å | 1.49Å | |
| C9 | C10 | sing | 1.46Å | 1.40Å | |
| C15 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N13 | sing | 1.39Å | 1.38Å | |
| C17 | N13 | sing | 1.47Å | 1.47Å | |
| N13 | C16 | sing | 1.47Å | 1.47Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H9N | sing | 1.09Å | 1.10Å | |
| C17 | H9O | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H9M | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H9L | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O6 | H63 | sing | 0.97Å | 0.95Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 109.3° | 109.6° |
| O3 | C3 | C2 | 110.8° | 109.5° |
| O3 | C3 | H31 | 109.6° | 109.6° |
| C3 | O3 | H32 | 109.5° | 114.0° |
| O4 | C4 | C3 | 108.5° | 109.6° |
| O4 | C4 | C5 | 109.6° | 109.6° |
| O4 | C4 | H41 | 110.1° | 109.5° |
| C4 | O4 | H42 | 109.5° | 114.0° |
| C4 | C3 | C2 | 110.7° | 109.0° |
| C3 | C4 | C5 | 111.1° | 109.2° |
| C3 | C4 | H41 | 108.9° | 109.5° |
| C4 | C3 | H31 | 108.3° | 109.5° |
| C3 | C2 | O2 | 110.6° | 109.6° |
| C3 | C2 | C1 | 107.7° | 109.1° |
| C2 | C3 | H31 | 108.0° | 109.6° |
| C3 | C2 | H21 | 109.5° | 109.5° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C4 | C5 | O5 | 110.0° | 109.5° |
| C5 | C4 | H41 | 108.6° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.4° |
| O2 | C2 | C1 | 108.1° | 109.5° |
| O2 | C2 | H21 | 111.1° | 109.6° |
| C2 | O2 | H22 | 109.5° | 114.1° |
| C2 | C1 | O5 | 108.3° | 109.4° |
| C2 | C1 | N1 | 109.0° | 109.5° |
| C2 | C1 | H1 | 110.2° | 109.5° |
| C1 | C2 | H21 | 109.8° | 109.5° |
| O6 | C6 | C5 | 109.8° | 109.5° |
| O6 | C6 | H62 | 109.4° | 109.5° |
| O6 | C6 | H61 | 109.4° | 109.5° |
| C6 | O6 | H63 | 109.5° | 114.0° |
| C6 | C5 | O5 | 108.5° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.5° |
| C5 | O5 | C1 | 108.3° | 114.1° |
| O5 | C5 | H5 | 109.6° | 109.5° |
| O5 | C1 | N1 | 107.7° | 109.5° |
| O5 | C1 | H1 | 110.6° | 109.5° |
| C1 | N1 | C7 | 120.3° | 120.0° |
| C1 | N1 | H13 | 119.8° | 120.0° |
| N1 | C1 | H1 | 110.9° | 109.4° |
| N1 | C7 | O7 | 123.5° | 120.0° |
| N1 | C7 | C8 | 115.6° | 120.1° |
| C7 | N1 | H13 | 119.8° | 120.0° |
| N88 | C88 | C8 | 174.9° | 179.9° |
| O7 | C7 | C8 | 120.8° | 119.9° |
| C7 | C8 | C88 | 116.8° | 119.9° |
| C7 | C8 | C9 | 117.2° | 120.0° |
| C88 | C8 | C9 | 125.1° | 120.0° |
| C8 | C9 | C10 | 126.9° | 120.0° |
| C8 | C9 | H9 | 116.6° | 120.0° |
| C9 | C10 | C15 | 125.7° | 120.1° |
| C9 | C10 | C11 | 115.0° | 120.1° |
| C10 | C9 | H9 | 116.6° | 120.0° |
| C10 | C15 | C14 | 119.0° | 119.9° |
| C15 | C10 | C11 | 119.3° | 119.8° |
| C10 | C15 | H15 | 120.5° | 120.0° |
| C15 | C14 | C13 | 122.0° | 120.2° |
| C14 | C15 | H15 | 120.5° | 120.1° |
| C15 | C14 | H14 | 119.0° | 120.0° |
| C10 | C11 | C12 | 121.6° | 119.9° |
| C10 | C11 | H11 | 119.2° | 120.1° |
| C14 | C13 | C12 | 117.9° | 120.2° |
| C14 | C13 | N13 | 121.8° | 119.9° |
| C13 | C14 | H14 | 119.0° | 119.9° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C12 | C11 | H11 | 119.2° | 120.0° |
| C12 | C13 | N13 | 120.3° | 119.9° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C13 | N13 | C17 | 119.5° | 120.0° |
| C13 | N13 | C16 | 118.7° | 120.0° |
| C17 | N13 | C16 | 120.5° | 120.0° |
| N13 | C17 | H9N | 109.5° | 109.5° |
| N13 | C17 | H9O | 109.5° | 109.4° |
| N13 | C17 | H17 | 109.5° | 109.5° |
| N13 | C16 | H9M | 109.5° | 109.4° |
| N13 | C16 | H16 | 109.5° | 109.4° |
| N13 | C16 | H9L | 109.4° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.4° |
| H9N | C17 | H9O | 109.5° | 109.5° |
| H9N | C17 | H17 | 109.4° | 109.5° |
| H9O | C17 | H17 | 109.5° | 109.4° |
| H9M | C16 | H16 | 109.5° | 109.5° |
| H9M | C16 | H9L | 109.5° | 109.5° |
| H16 | C16 | H9L | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | O4 | 66.6° | 63.2° |
| O3 | C3 | C4 | C2 | 122.4° | 119.9° |
| O3 | C3 | C4 | H31 | 119.4° | 120.3° |
| O3 | C3 | C2 | H31 | 120.1° | 120.3° |
| O3 | C3 | C4 | C5 | 172.8° | 176.8° |
| O3 | C3 | C2 | O2 | 65.7° | 63.3° |
| O3 | C3 | C2 | C1 | 176.4° | 176.8° |
| O3 | C3 | C4 | H41 | 53.3° | 56.9° |
| O3 | C3 | C2 | H21 | 57.0° | 57.0° |
| O4 | C4 | C3 | C5 | 120.6° | 120.0° |
| O4 | C4 | C3 | H41 | 119.9° | 120.1° |
| O4 | C4 | C3 | C2 | 171.0° | 176.9° |
| O4 | C4 | C5 | H41 | 120.4° | 120.1° |
| O4 | C4 | C5 | C6 | 64.4° | 62.4° |
| O4 | C4 | C5 | O5 | 175.0° | 177.6° |
| O4 | C4 | C5 | H5 | 55.2° | 57.6° |
| O4 | C4 | C3 | H31 | 52.8° | 57.1° |
| C4 | C3 | C2 | H31 | 118.4° | 119.8° |
| C3 | C4 | C5 | H41 | 119.7° | 119.9° |
| C4 | C3 | C2 | O2 | 172.8° | 176.9° |
| C4 | C3 | C2 | C1 | 54.9° | 57.0° |
| C3 | C4 | C5 | C6 | 175.7° | 177.6° |
| C3 | C4 | C5 | O5 | 55.1° | 57.5° |
| C3 | C4 | C5 | H5 | 64.7° | 62.4° |
| C3 | C4 | O4 | H42 | 180.0° | 60.2° |
| C4 | C3 | O3 | H32 | 180.0° | 180.0° |
| C4 | C3 | C2 | H21 | 64.5° | 62.9° |
| C2 | C3 | C4 | C5 | 50.5° | 56.9° |
| C3 | C2 | O2 | C1 | 117.7° | 119.7° |
| C3 | C2 | O2 | H21 | 121.8° | 120.2° |
| C3 | C2 | C1 | H21 | 119.1° | 119.9° |
| C3 | C2 | C1 | O5 | 63.9° | 57.6° |
| C3 | C2 | C1 | N1 | 179.2° | 177.6° |
| C2 | C3 | C4 | H41 | 69.1° | 62.9° |
| C3 | C2 | C1 | H1 | 57.3° | 62.4° |
| C2 | C3 | O3 | H32 | 57.7° | 60.5° |
| C3 | C2 | O2 | H22 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 54.7° | 175.0° |
| C4 | C5 | C6 | O5 | 121.5° | 120.0° |
| C4 | C5 | C6 | H5 | 119.5° | 120.0° |
| C4 | C5 | O5 | H5 | 119.0° | 119.9° |
| C4 | C5 | O5 | C1 | 63.9° | 61.1° |
| C4 | C5 | C6 | H62 | 65.4° | 54.9° |
| C4 | C5 | C6 | H61 | 174.7° | 65.0° |
| C5 | C4 | O4 | H42 | 58.5° | 180.0° |
| C5 | C4 | C3 | H31 | 67.8° | 62.9° |
| O2 | C2 | C1 | H21 | 121.3° | 120.2° |
| O2 | C2 | C1 | O5 | 176.6° | 177.6° |
| O2 | C2 | C1 | N1 | 59.6° | 62.4° |
| O2 | C2 | C1 | H1 | 62.3° | 57.5° |
| O2 | C2 | C3 | H31 | 54.4° | 57.0° |
| C2 | C1 | O5 | C5 | 69.7° | 61.1° |
| C2 | C1 | O5 | N1 | 117.8° | 120.0° |
| C2 | C1 | O5 | H1 | 120.9° | 120.0° |
| C2 | C1 | N1 | H1 | 121.5° | 120.0° |
| C2 | C1 | N1 | C7 | 153.2° | 145.1° |
| C2 | C1 | N1 | H13 | 26.8° | 34.7° |
| C1 | C2 | C3 | H31 | 63.5° | 62.9° |
| C1 | C2 | O2 | H22 | 62.3° | 60.3° |
| O6 | C6 | C5 | H62 | 120.1° | 120.0° |
| O6 | C6 | C5 | H61 | 120.0° | 120.0° |
| O6 | C6 | C5 | O5 | 66.9° | 65.0° |
| O6 | C6 | C5 | H5 | 174.1° | 55.0° |
| O6 | C6 | H62 | H61 | 119.9° | 120.0° |
| C6 | C5 | O5 | H5 | 118.3° | 120.0° |
| C6 | C5 | O5 | C1 | 173.4° | 178.8° |
| C6 | C5 | C4 | H41 | 56.0° | 57.7° |
| C5 | C6 | H62 | H61 | 119.9° | 120.0° |
| C5 | C6 | O6 | H63 | 180.0° | 180.0° |
| C5 | O5 | C1 | N1 | 172.5° | 178.9° |
| O5 | C5 | C4 | H41 | 64.7° | 62.3° |
| O5 | C5 | C6 | H62 | 173.1° | 175.0° |
| O5 | C5 | C6 | H61 | 53.2° | 55.0° |
| C5 | O5 | C1 | H1 | 51.2° | 58.9° |
| O5 | C1 | N1 | H1 | 121.2° | 120.0° |
| O5 | C1 | N1 | C7 | 89.5° | 95.0° |
| O5 | C1 | N1 | H13 | 90.5° | 85.2° |
| C1 | O5 | C5 | H5 | 55.1° | 58.8° |
| O5 | C1 | C2 | H21 | 55.3° | 62.3° |
| C1 | N1 | C7 | H13 | 180.0° | 179.8° |
| C1 | N1 | C7 | O7 | 2.1° | 0.3° |
| C1 | N1 | C7 | C8 | 179.0° | 179.7° |
| N1 | C1 | C2 | H21 | 61.7° | 57.7° |
| N1 | C7 | O7 | C8 | 176.8° | 180.0° |
| N1 | C7 | C8 | C88 | 1.1° | 0.0° |
| N1 | C7 | C8 | C9 | 171.4° | 180.0° |
| C7 | N1 | C1 | H1 | 31.7° | 25.0° |
| N88 | C88 | C8 | C7 | 25.3° | 143.3° |
| N88 | C88 | C8 | C9 | 165.2° | 36.7° |
| O7 | C7 | C8 | C88 | 178.1° | 180.0° |
| O7 | C7 | C8 | C9 | 11.6° | 0.0° |
| O7 | C7 | N1 | H13 | 177.9° | 180.0° |
| C7 | C8 | C88 | C9 | 169.4° | 180.0° |
| C7 | C8 | C9 | C10 | 175.4° | 172.4° |
| C8 | C7 | N1 | H13 | 1.0° | 0.0° |
| C7 | C8 | C9 | H9 | 4.6° | 7.6° |
| C88 | C8 | C9 | C10 | 15.2° | 7.5° |
| C88 | C8 | C9 | H9 | 164.8° | 172.4° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C15 | 4.4° | 34.8° |
| C8 | C9 | C10 | C11 | 175.1° | 145.5° |
| C9 | C10 | C15 | C11 | 179.4° | 179.6° |
| C9 | C10 | C15 | C14 | 178.1° | 179.7° |
| C9 | C10 | C11 | C12 | 178.5° | 179.7° |
| C9 | C10 | C15 | H15 | 1.9° | 0.4° |
| C9 | C10 | C11 | H11 | 1.6° | 0.3° |
| C10 | C15 | C14 | H15 | 180.0° | 179.9° |
| C10 | C15 | C14 | C13 | 0.6° | 0.1° |
| C15 | C10 | C11 | C12 | 1.0° | 0.1° |
| C10 | C15 | C14 | H14 | 179.4° | 180.0° |
| C15 | C10 | C11 | H11 | 178.9° | 180.0° |
| C15 | C10 | C9 | H9 | 175.6° | 145.2° |
| C14 | C15 | C10 | C11 | 1.3° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.4° | 0.1° |
| C15 | C14 | C13 | N13 | 178.4° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C11 | C10 | C15 | H15 | 178.7° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C10 | C9 | H9 | 4.9° | 34.5° |
| C14 | C13 | C12 | C11 | 0.7° | 0.1° |
| C14 | C13 | C12 | N13 | 178.9° | 179.9° |
| C14 | C13 | N13 | C17 | 7.2° | 174.4° |
| C14 | C13 | N13 | C16 | 174.1° | 5.6° |
| C13 | C14 | C15 | H15 | 179.4° | 180.0° |
| C14 | C13 | C12 | H12 | 179.3° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | N13 | 178.1° | 180.0° |
| C12 | C13 | N13 | C17 | 171.6° | 5.5° |
| C12 | C13 | N13 | C16 | 4.7° | 174.5° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C13 | N13 | C17 | C16 | 166.6° | 179.9° |
| C13 | N13 | C17 | H9N | 180.0° | 90.0° |
| C13 | N13 | C17 | H9O | 60.0° | 150.0° |
| C13 | N13 | C17 | H17 | 60.0° | 30.1° |
| C13 | N13 | C16 | H9M | 180.0° | 5.2° |
| C13 | N13 | C16 | H16 | 60.0° | 114.8° |
| C13 | N13 | C16 | H9L | 60.0° | 125.2° |
| N13 | C13 | C14 | H14 | 1.6° | 0.1° |
| N13 | C13 | C12 | H12 | 1.9° | 0.0° |
| N13 | C17 | H9N | H9O | 120.0° | 120.0° |
| N13 | C17 | H9N | H17 | 120.0° | 120.0° |
| N13 | C17 | H9O | H17 | 120.0° | 120.0° |
| C17 | N13 | C16 | H9M | 13.3° | 174.8° |
| C17 | N13 | C16 | H16 | 106.7° | 65.2° |
| C17 | N13 | C16 | H9L | 133.3° | 54.8° |
| C16 | N13 | C17 | H9N | 13.4° | 90.0° |
| C16 | N13 | C17 | H9O | 133.4° | 30.1° |
| C16 | N13 | C17 | H17 | 106.6° | 150.0° |
| N13 | C16 | H9M | H16 | 120.0° | 119.9° |
| N13 | C16 | H9M | H9L | 120.0° | 120.0° |
| N13 | C16 | H16 | H9L | 120.0° | 120.0° |
| H13 | N1 | C1 | H1 | 148.3° | 154.7° |
| H41 | C4 | C5 | H5 | 175.5° | 177.7° |
| H41 | C4 | O4 | H42 | 61.0° | 59.9° |
| H41 | C4 | C3 | H31 | 172.6° | 177.2° |
| H5 | C5 | C6 | H62 | 54.0° | 65.0° |
| H5 | C5 | C6 | H61 | 65.9° | 175.0° |
| H62 | C6 | O6 | H63 | 60.0° | 60.0° |
| H61 | C6 | O6 | H63 | 60.0° | 60.0° |
| H15 | C15 | C14 | H14 | 0.6° | 0.1° |
| H9N | C17 | H9O | H17 | 120.0° | 120.0° |
| H9M | C16 | H16 | H9L | 120.0° | 120.0° |
| H12 | C12 | C11 | H11 | 0.0° | 0.0° |
| H1 | C1 | C2 | H21 | 176.4° | 177.7° |
| H31 | C3 | O3 | H32 | 61.5° | 59.8° |
| H31 | C3 | C2 | H21 | 177.1° | 177.3° |
| H21 | C2 | O2 | H22 | 58.2° | 59.8° |
