F7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.35Å | 1.35Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C18 | sing | 1.40Å | 1.38Å | |
| N1 | C17 | sing | 1.48Å | 1.46Å | |
| C18 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C23 | sing | 1.37Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | O2 | sing | 1.43Å | 1.42Å | |
| N3 | C21 | doub | 1.31Å | 1.33Å | Aromatic |
| N4 | C23 | sing | 1.34Å | 1.33Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| O2 | C15 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | C11 | sing | 1.48Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | O1 | sing | 1.43Å | 1.43Å | |
| C13 | O1 | sing | 1.36Å | 1.37Å | |
| C13 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C | sing | 1.47Å | 1.50Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| N | C1 | sing | 1.46Å | 1.46Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C7 | H16 | sing | 1.08Å | 1.08Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| N1 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 117.4° | 119.1° |
| C19 | C20 | N2 | 118.6° | 119.4° |
| C20 | C19 | H1 | 121.3° | 120.5° |
| C19 | C20 | H4 | 120.7° | 120.4° |
| C19 | C18 | N1 | 122.0° | 119.5° |
| C19 | C18 | N4 | 123.9° | 120.2° |
| C18 | C19 | H1 | 121.4° | 120.4° |
| C20 | N2 | N3 | 126.8° | 131.9° |
| C20 | N2 | C23 | 121.1° | 120.0° |
| N2 | C20 | H4 | 120.7° | 120.3° |
| C18 | N1 | C17 | 123.2° | 116.0° |
| N1 | C18 | N4 | 114.1° | 120.3° |
| C18 | N1 | H23 | 105.9° | 122.0° |
| N1 | C17 | C16 | 111.9° | 108.9° |
| N1 | C17 | H2 | 108.9° | 109.6° |
| N1 | C17 | H3 | 108.8° | 109.6° |
| C17 | N1 | H23 | 106.0° | 122.0° |
| C18 | N4 | C23 | 115.4° | 120.8° |
| N3 | N2 | C23 | 112.0° | 108.1° |
| N2 | N3 | C21 | 104.1° | 109.2° |
| N2 | C23 | N4 | 122.3° | 120.4° |
| N2 | C23 | C22 | 106.4° | 106.7° |
| C17 | C16 | O2 | 109.4° | 109.6° |
| C16 | C17 | H2 | 108.9° | 109.5° |
| C16 | C17 | H3 | 108.8° | 109.5° |
| C17 | C16 | H6 | 109.5° | 109.5° |
| C17 | C16 | H7 | 109.5° | 109.5° |
| C16 | O2 | C15 | 113.1° | 114.0° |
| O2 | C16 | H6 | 109.4° | 109.4° |
| O2 | C16 | H7 | 109.5° | 109.5° |
| N3 | C21 | C22 | 113.6° | 108.9° |
| N3 | C21 | H5 | 123.2° | 125.5° |
| N4 | C23 | C22 | 129.6° | 132.9° |
| C23 | C22 | C21 | 103.9° | 107.0° |
| C23 | C22 | C11 | 128.3° | 127.7° |
| O2 | C15 | C14 | 108.0° | 109.5° |
| O2 | C15 | H20 | 109.8° | 109.5° |
| O2 | C15 | H21 | 109.8° | 109.5° |
| C21 | C22 | C11 | 127.6° | 125.3° |
| C22 | C21 | H5 | 123.2° | 125.5° |
| C22 | C11 | C12 | 120.2° | 120.6° |
| C22 | C11 | C10 | 121.1° | 119.4° |
| C15 | C14 | O1 | 110.0° | 109.5° |
| C15 | C14 | H18 | 109.4° | 109.4° |
| C15 | C14 | H19 | 109.4° | 109.4° |
| C14 | C15 | H20 | 109.9° | 109.5° |
| C14 | C15 | H21 | 109.8° | 109.5° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C12 | C11 | C10 | 118.7° | 120.0° |
| C11 | C12 | H8 | 119.9° | 120.0° |
| C12 | C13 | O1 | 123.0° | 120.5° |
| C12 | C13 | C8 | 121.9° | 119.7° |
| C13 | C12 | H8 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.7° | 120.3° |
| C11 | C10 | H9 | 119.7° | 119.8° |
| C14 | O1 | C13 | 117.6° | 117.4° |
| O1 | C14 | H18 | 109.3° | 109.5° |
| O1 | C14 | H19 | 109.3° | 109.5° |
| O1 | C13 | C8 | 115.0° | 119.8° |
| C13 | C8 | C9 | 117.5° | 119.9° |
| C13 | C8 | C | 123.3° | 120.1° |
| C10 | C9 | C8 | 121.1° | 120.2° |
| C9 | C10 | H9 | 119.6° | 119.8° |
| C10 | C9 | H22 | 119.4° | 119.9° |
| C9 | C8 | C | 119.2° | 120.1° |
| C8 | C9 | H22 | 119.5° | 119.9° |
| C8 | C | N | 115.7° | 120.0° |
| C8 | C | O | 121.8° | 120.0° |
| C | N | C1 | 122.3° | 120.0° |
| N | C | O | 122.4° | 120.0° |
| C | N | H17 | 118.9° | 120.0° |
| N | C1 | C2 | 111.9° | 109.5° |
| N | C1 | H12 | 108.9° | 109.5° |
| N | C1 | H13 | 108.9° | 109.5° |
| C1 | N | H17 | 118.8° | 120.0° |
| C6 | C7 | C2 | 120.6° | 120.0° |
| C7 | C6 | C5 | 120.2° | 120.0° |
| C7 | C6 | H10 | 119.9° | 119.9° |
| C6 | C7 | H16 | 119.7° | 120.0° |
| C7 | C2 | C1 | 120.4° | 120.0° |
| C7 | C2 | C3 | 118.6° | 120.0° |
| C2 | C7 | H16 | 119.7° | 120.0° |
| C1 | C2 | C3 | 121.0° | 119.9° |
| C2 | C1 | H12 | 108.8° | 109.4° |
| C2 | C1 | H13 | 108.8° | 109.5° |
| C6 | C5 | C4 | 119.6° | 120.0° |
| C5 | C6 | H10 | 119.9° | 120.0° |
| C6 | C5 | H11 | 120.2° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | H14 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.2° | 120.0° |
| C4 | C5 | H11 | 120.2° | 120.0° |
| C5 | C4 | H15 | 119.9° | 120.0° |
| C4 | C3 | H14 | 119.7° | 120.0° |
| C3 | C4 | H15 | 119.9° | 120.0° |
| H2 | C17 | H3 | 109.5° | 109.6° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H1 | 180.0° | 179.9° |
| C19 | C20 | N2 | H4 | 180.0° | 179.9° |
| C20 | C19 | C18 | N1 | 179.4° | 177.5° |
| C20 | C19 | C18 | N4 | 1.6° | 1.8° |
| C19 | C20 | N2 | N3 | 175.2° | 177.5° |
| C19 | C20 | N2 | C23 | 2.1° | 2.2° |
| C18 | C19 | C20 | N2 | 2.1° | 0.1° |
| C19 | C18 | N1 | N4 | 179.1° | 179.3° |
| C19 | C18 | N1 | C17 | 176.0° | 177.0° |
| C19 | C18 | N4 | C23 | 9.2° | 1.5° |
| C18 | C19 | C20 | H4 | 177.9° | 180.0° |
| C19 | C18 | N1 | H23 | 54.1° | 3.0° |
| C20 | N2 | N3 | C23 | 177.6° | 179.8° |
| C20 | N2 | N3 | C21 | 177.4° | 179.0° |
| C20 | N2 | C23 | N4 | 10.6° | 2.6° |
| C20 | N2 | C23 | C22 | 177.0° | 178.5° |
| N2 | C20 | C19 | H1 | 177.9° | 180.0° |
| C18 | N1 | C17 | H23 | 121.9° | 180.0° |
| C18 | N1 | C17 | C16 | 74.4° | 59.3° |
| N1 | C18 | N4 | C23 | 171.7° | 177.9° |
| N1 | C18 | C19 | H1 | 0.6° | 2.5° |
| C18 | N1 | C17 | H2 | 46.0° | 179.1° |
| C18 | N1 | C17 | H3 | 165.3° | 60.5° |
| C17 | N1 | C18 | N4 | 4.9° | 2.4° |
| N1 | C17 | C16 | H2 | 120.4° | 119.9° |
| N1 | C17 | C16 | H3 | 120.3° | 119.9° |
| N1 | C17 | C16 | O2 | 164.3° | 169.9° |
| N1 | C17 | H2 | H3 | 118.9° | 120.3° |
| N1 | C17 | C16 | H6 | 75.7° | 49.9° |
| N1 | C17 | C16 | H7 | 44.4° | 70.1° |
| C18 | N4 | C23 | N2 | 13.6° | 0.7° |
| C18 | N4 | C23 | C22 | 176.6° | 179.2° |
| N4 | C18 | C19 | H1 | 178.4° | 178.1° |
| N4 | C18 | N1 | H23 | 126.8° | 177.7° |
| N3 | N2 | C23 | N4 | 167.1° | 177.2° |
| N3 | N2 | C23 | C22 | 0.7° | 1.6° |
| N2 | N3 | C21 | C22 | 0.5° | 0.2° |
| N3 | N2 | C20 | H4 | 4.8° | 2.4° |
| N2 | N3 | C21 | H5 | 179.5° | 179.9° |
| C23 | N2 | N3 | C21 | 0.1° | 1.2° |
| N2 | C23 | N4 | C22 | 163.0° | 178.5° |
| N2 | C23 | C22 | C21 | 0.9° | 1.5° |
| N2 | C23 | C22 | C11 | 173.7° | 177.2° |
| C23 | N2 | C20 | H4 | 177.9° | 177.8° |
| C17 | C16 | O2 | H6 | 120.0° | 120.0° |
| C17 | C16 | O2 | H7 | 120.0° | 120.0° |
| C17 | C16 | O2 | C15 | 136.3° | 147.1° |
| C16 | C17 | H2 | H3 | 118.9° | 120.2° |
| C17 | C16 | H6 | H7 | 120.1° | 120.0° |
| C16 | C17 | N1 | H23 | 163.7° | 120.7° |
| C16 | O2 | C15 | C14 | 130.6° | 93.9° |
| O2 | C16 | C17 | H2 | 44.0° | 50.0° |
| O2 | C16 | C17 | H3 | 75.3° | 70.3° |
| O2 | C16 | H6 | H7 | 120.0° | 119.9° |
| C16 | O2 | C15 | H20 | 109.6° | 146.1° |
| C16 | O2 | C15 | H21 | 10.8° | 26.1° |
| N3 | C21 | C22 | C23 | 0.9° | 0.8° |
| N3 | C21 | C22 | H5 | 180.0° | 179.9° |
| N3 | C21 | C22 | C11 | 173.7° | 178.0° |
| N4 | C23 | C22 | C21 | 166.0° | 177.1° |
| N4 | C23 | C22 | C11 | 8.6° | 4.1° |
| C23 | C22 | C21 | C11 | 174.6° | 178.8° |
| C23 | C22 | C11 | C12 | 19.8° | 15.1° |
| C23 | C22 | C11 | C10 | 163.6° | 166.4° |
| C23 | C22 | C21 | H5 | 179.1° | 179.1° |
| O2 | C15 | C14 | H20 | 119.8° | 120.0° |
| O2 | C15 | C14 | H21 | 119.8° | 120.0° |
| O2 | C15 | C14 | O1 | 154.6° | 151.0° |
| C15 | O2 | C16 | H6 | 103.8° | 92.8° |
| C15 | O2 | C16 | H7 | 16.3° | 27.1° |
| O2 | C15 | C14 | H18 | 34.6° | 89.0° |
| O2 | C15 | C14 | H19 | 85.3° | 31.0° |
| O2 | C15 | H20 | H21 | 120.7° | 120.0° |
| C21 | C22 | C11 | C12 | 153.5° | 163.5° |
| C21 | C22 | C11 | C10 | 23.0° | 15.0° |
| C22 | C11 | C12 | C10 | 176.6° | 178.5° |
| C22 | C11 | C12 | C13 | 176.4° | 177.8° |
| C22 | C11 | C10 | C9 | 177.6° | 178.3° |
| C11 | C22 | C21 | H5 | 6.3° | 2.1° |
| C22 | C11 | C12 | H8 | 3.6° | 2.3° |
| C22 | C11 | C10 | H9 | 2.4° | 1.7° |
| C15 | C14 | O1 | H18 | 120.1° | 120.0° |
| C15 | C14 | O1 | H19 | 120.1° | 120.0° |
| C15 | C14 | O1 | C13 | 93.5° | 106.3° |
| C15 | C14 | H18 | H19 | 119.8° | 119.9° |
| C14 | C15 | H20 | H21 | 120.7° | 120.0° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C11 | C12 | C13 | O1 | 175.7° | 178.9° |
| C11 | C12 | C13 | C8 | 1.8° | 0.9° |
| C12 | C11 | C10 | C9 | 1.0° | 0.2° |
| C12 | C11 | C10 | H9 | 179.0° | 179.8° |
| C13 | C12 | C11 | C10 | 0.2° | 0.7° |
| C12 | C13 | O1 | C14 | 41.1° | 38.5° |
| C12 | C13 | O1 | C8 | 177.6° | 179.9° |
| C12 | C13 | C8 | C9 | 2.1° | 0.7° |
| C12 | C13 | C8 | C | 175.3° | 179.4° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.7° | 0.1° |
| C10 | C11 | C12 | H8 | 179.8° | 179.2° |
| C11 | C10 | C9 | H22 | 179.3° | 179.8° |
| C14 | O1 | C13 | C8 | 141.3° | 141.7° |
| O1 | C14 | H18 | H19 | 119.7° | 120.0° |
| O1 | C14 | C15 | H20 | 85.6° | 89.0° |
| O1 | C14 | C15 | H21 | 34.9° | 31.0° |
| O1 | C13 | C8 | C9 | 175.6° | 179.2° |
| O1 | C13 | C8 | C | 7.0° | 0.7° |
| O1 | C13 | C12 | H8 | 4.3° | 1.2° |
| C13 | O1 | C14 | H18 | 26.5° | 133.7° |
| C13 | O1 | C14 | H19 | 146.4° | 13.7° |
| C13 | C8 | C9 | C10 | 0.8° | 0.1° |
| C13 | C8 | C9 | C | 177.5° | 180.0° |
| C13 | C8 | C | N | 6.1° | 180.0° |
| C13 | C8 | C | O | 174.5° | 0.0° |
| C8 | C13 | C12 | H8 | 178.2° | 179.0° |
| C13 | C8 | C9 | H22 | 179.2° | 179.9° |
| C10 | C9 | C8 | H22 | 180.0° | 179.9° |
| C10 | C9 | C8 | C | 176.7° | 179.9° |
| C9 | C8 | C | N | 171.3° | 0.1° |
| C9 | C8 | C | O | 8.1° | 180.0° |
| C8 | C9 | C10 | H9 | 179.3° | 179.9° |
| C8 | C | N | O | 179.3° | 179.9° |
| C8 | C | N | C1 | 171.4° | 180.0° |
| C8 | C | N | H17 | 8.5° | 0.1° |
| C | C8 | C9 | H22 | 3.3° | 0.0° |
| C | N | C1 | H17 | 180.0° | 180.0° |
| C | N | C1 | C2 | 92.9° | 180.0° |
| C | N | C1 | H12 | 146.8° | 60.0° |
| C | N | C1 | H13 | 27.5° | 60.0° |
| C1 | N | C | O | 7.9° | 0.0° |
| N | C1 | C2 | C7 | 9.9° | 90.8° |
| N | C1 | C2 | H12 | 120.4° | 120.0° |
| N | C1 | C2 | H13 | 120.4° | 120.0° |
| N | C1 | C2 | C3 | 168.6° | 90.0° |
| N | C1 | H12 | H13 | 118.9° | 120.0° |
| O | C | N | H17 | 172.1° | 180.0° |
| C6 | C7 | C2 | H16 | 180.0° | 179.9° |
| C6 | C7 | C2 | C1 | 177.4° | 179.8° |
| C7 | C6 | C5 | H10 | 180.0° | 179.8° |
| C6 | C7 | C2 | C3 | 1.1° | 0.6° |
| C7 | C6 | C5 | C4 | 0.5° | 0.2° |
| C7 | C6 | C5 | H11 | 179.5° | 179.9° |
| C7 | C2 | C1 | C3 | 178.5° | 179.2° |
| C2 | C7 | C6 | C5 | 0.4° | 0.1° |
| C7 | C2 | C3 | C4 | 1.0° | 0.8° |
| C2 | C7 | C6 | H10 | 179.6° | 179.7° |
| C7 | C2 | C1 | H12 | 110.4° | 29.2° |
| C7 | C2 | C1 | H13 | 130.3° | 149.2° |
| C7 | C2 | C3 | H14 | 179.0° | 179.2° |
| C1 | C2 | C3 | C4 | 177.6° | 180.0° |
| C2 | C1 | H12 | H13 | 118.9° | 120.0° |
| C1 | C2 | C3 | H14 | 2.4° | 0.0° |
| C1 | C2 | C7 | H16 | 2.6° | 0.3° |
| C2 | C1 | N | H17 | 87.1° | 0.0° |
| C6 | C5 | C4 | H11 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C6 | C5 | C4 | H15 | 179.3° | 179.9° |
| C5 | C6 | C7 | H16 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.5° |
| C2 | C3 | C4 | H14 | 180.0° | 180.0° |
| C3 | C2 | C1 | H12 | 71.0° | 150.0° |
| C3 | C2 | C1 | H13 | 48.2° | 30.0° |
| C2 | C3 | C4 | H15 | 179.9° | 179.4° |
| C3 | C2 | C7 | H16 | 178.8° | 179.5° |
| C5 | C4 | C3 | H15 | 180.0° | 180.0° |
| C4 | C5 | C6 | H10 | 179.5° | 180.0° |
| C5 | C4 | C3 | H14 | 179.9° | 179.5° |
| C3 | C4 | C5 | H11 | 179.3° | 179.9° |
| H1 | C19 | C20 | H4 | 2.1° | 0.0° |
| H2 | C17 | C16 | H6 | 163.9° | 70.0° |
| H2 | C17 | C16 | H7 | 76.0° | 170.1° |
| H2 | C17 | N1 | H23 | 75.9° | 0.9° |
| H3 | C17 | C16 | H6 | 44.6° | 169.8° |
| H3 | C17 | C16 | H7 | 164.7° | 49.8° |
| H3 | C17 | N1 | H23 | 43.4° | 119.4° |
| H9 | C10 | C9 | H22 | 0.7° | 0.2° |
| H10 | C6 | C5 | H11 | 0.5° | 0.1° |
| H10 | C6 | C7 | H16 | 0.4° | 0.2° |
| H11 | C5 | C4 | H15 | 0.7° | 0.1° |
| H12 | C1 | N | H17 | 33.3° | 120.0° |
| H13 | C1 | N | H17 | 152.5° | 120.0° |
| H14 | C3 | C4 | H15 | 0.1° | 0.6° |
| H18 | C14 | C15 | H20 | 154.4° | 31.0° |
| H18 | C14 | C15 | H21 | 85.2° | 151.0° |
| H19 | C14 | C15 | H20 | 34.5° | 151.0° |
| H19 | C14 | C15 | H21 | 154.9° | 89.0° |
