OF7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.34Å | 1.37Å | Aromatic |
| C7 | C5 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| N3 | C1 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C2 | sing | 1.46Å | 1.44Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.37Å | Aromatic |
| C1 | N1 | sing | 1.34Å | 1.39Å | |
| C2 | C3 | sing | 1.41Å | 1.48Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C4 | doub | 1.31Å | 1.30Å | |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C4 | N2 | sing | 1.36Å | 1.41Å | |
| C4 | N4 | sing | 1.37Å | 1.38Å | |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.51Å | |
| C14 | O2 | doub | 1.22Å | 1.23Å | |
| C14 | N5 | sing | 1.35Å | 1.35Å | |
| N5 | C15 | sing | 1.40Å | 1.42Å | |
| O3 | C22 | doub | 1.21Å | 1.23Å | |
| C22 | O4 | sing | 1.34Å | 1.37Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C15 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| O4 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C6 | C5 | 108.5° | 109.6° |
| C6 | N3 | C1 | 109.3° | 110.1° |
| C6 | N3 | H2 | 125.3° | 124.9° |
| N3 | C6 | H12 | 125.8° | 125.2° |
| C6 | C5 | C7 | 126.4° | 126.7° |
| C6 | C5 | C2 | 106.2° | 106.7° |
| C5 | C6 | H12 | 125.8° | 125.2° |
| C5 | C7 | C8 | 111.4° | 109.4° |
| C7 | C5 | C2 | 127.3° | 126.7° |
| C5 | C7 | H13 | 109.0° | 109.5° |
| C5 | C7 | H14 | 109.0° | 109.5° |
| C7 | C8 | C9 | 121.1° | 119.9° |
| C7 | C8 | C13 | 119.3° | 119.8° |
| C8 | C7 | H13 | 109.0° | 109.4° |
| C8 | C7 | H14 | 109.0° | 109.5° |
| N3 | C1 | C2 | 107.9° | 107.2° |
| N3 | C1 | N1 | 125.6° | 133.6° |
| C1 | N3 | H2 | 125.4° | 125.0° |
| C5 | C2 | C1 | 108.1° | 106.4° |
| C5 | C2 | C3 | 135.2° | 134.6° |
| C2 | C1 | N1 | 126.4° | 119.2° |
| C1 | C2 | C3 | 116.7° | 119.1° |
| C1 | N1 | C4 | 114.8° | 121.2° |
| C2 | C3 | O1 | 121.9° | 120.9° |
| C2 | C3 | N2 | 115.5° | 118.2° |
| C9 | C8 | C13 | 119.5° | 120.3° |
| C8 | C9 | C10 | 120.1° | 120.1° |
| C8 | C9 | H15 | 120.0° | 120.0° |
| C8 | C13 | C12 | 120.2° | 120.1° |
| C8 | C13 | H5 | 119.8° | 119.9° |
| N1 | C4 | N2 | 123.9° | 122.2° |
| N1 | C4 | N4 | 123.8° | 118.9° |
| C9 | C10 | C11 | 120.5° | 119.9° |
| C9 | C10 | H3 | 119.7° | 120.1° |
| C10 | C9 | H15 | 120.0° | 119.9° |
| O1 | C3 | N2 | 122.6° | 120.9° |
| C3 | N2 | C4 | 122.7° | 120.1° |
| C3 | N2 | H1 | 118.7° | 119.9° |
| N2 | C4 | N4 | 112.3° | 118.9° |
| C4 | N2 | H1 | 118.7° | 120.0° |
| C4 | N4 | H16 | 120.0° | 120.0° |
| C4 | N4 | H17 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.8° | 119.9° |
| C13 | C12 | H4 | 119.6° | 120.1° |
| C12 | C13 | H5 | 119.9° | 119.9° |
| C10 | C11 | C12 | 118.7° | 119.7° |
| C10 | C11 | C14 | 122.2° | 120.1° |
| C11 | C10 | H3 | 119.7° | 120.1° |
| C12 | C11 | C14 | 118.9° | 120.2° |
| C11 | C12 | H4 | 119.6° | 120.1° |
| C11 | C14 | O2 | 120.4° | 120.0° |
| C11 | C14 | N5 | 115.2° | 120.0° |
| O2 | C14 | N5 | 124.3° | 120.0° |
| C14 | N5 | C15 | 129.4° | 120.0° |
| C14 | N5 | H18 | 115.3° | 120.0° |
| N5 | C15 | C20 | 123.3° | 120.1° |
| N5 | C15 | C16 | 117.2° | 120.1° |
| C15 | N5 | H18 | 115.3° | 120.0° |
| O3 | C22 | O4 | 124.3° | 120.0° |
| O3 | C22 | C21 | 123.3° | 120.0° |
| O4 | C22 | C21 | 112.4° | 120.0° |
| C22 | O4 | H19 | 109.5° | 117.0° |
| C22 | C21 | C16 | 110.0° | 109.5° |
| C22 | C21 | H10 | 109.3° | 109.5° |
| C22 | C21 | H11 | 109.3° | 109.5° |
| C20 | C15 | C16 | 119.4° | 119.8° |
| C15 | C20 | C19 | 120.4° | 119.9° |
| C15 | C20 | H9 | 119.8° | 120.0° |
| C15 | C16 | C21 | 121.1° | 120.0° |
| C15 | C16 | C17 | 119.8° | 119.9° |
| C20 | C19 | C18 | 119.9° | 120.1° |
| C20 | C19 | H8 | 120.1° | 120.0° |
| C19 | C20 | H9 | 119.8° | 120.1° |
| C21 | C16 | C17 | 119.2° | 120.0° |
| C16 | C21 | H10 | 109.3° | 109.5° |
| C16 | C21 | H11 | 109.3° | 109.5° |
| C16 | C17 | C18 | 120.4° | 120.1° |
| C16 | C17 | H6 | 119.9° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.1° |
| C19 | C18 | H7 | 119.9° | 119.9° |
| C18 | C19 | H8 | 120.1° | 119.9° |
| C18 | C17 | H6 | 119.8° | 119.9° |
| C17 | C18 | H7 | 119.9° | 120.0° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H13 | C7 | H14 | 109.4° | 109.5° |
| H16 | N4 | H17 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C6 | C5 | H12 | 180.0° | 180.0° |
| N3 | C6 | C5 | C7 | 179.7° | 180.0° |
| C6 | N3 | C1 | H2 | 180.0° | 180.0° |
| N3 | C6 | C5 | C2 | 0.1° | 0.1° |
| C6 | N3 | C1 | C2 | 0.1° | 0.0° |
| C6 | N3 | C1 | N1 | 180.0° | 179.9° |
| C6 | C5 | C7 | C2 | 179.4° | 179.9° |
| C6 | C5 | C7 | C8 | 104.8° | 95.0° |
| C5 | C6 | N3 | C1 | 0.0° | 0.0° |
| C6 | C5 | C2 | C1 | 0.2° | 0.1° |
| C6 | C5 | C2 | C3 | 180.0° | 180.0° |
| C5 | C6 | N3 | H2 | 180.0° | 180.0° |
| C6 | C5 | C7 | H13 | 15.5° | 24.9° |
| C6 | C5 | C7 | H14 | 134.9° | 145.0° |
| C5 | C7 | C8 | H13 | 120.3° | 119.9° |
| C5 | C7 | C8 | H14 | 120.3° | 120.1° |
| C7 | C5 | C2 | C1 | 179.7° | 180.0° |
| C7 | C5 | C2 | C3 | 0.4° | 0.1° |
| C5 | C7 | C8 | C9 | 158.2° | 90.0° |
| C5 | C7 | C8 | C13 | 19.9° | 90.6° |
| C7 | C5 | C6 | H12 | 0.3° | 0.0° |
| C5 | C7 | H13 | H14 | 119.1° | 120.1° |
| C8 | C7 | C5 | C2 | 74.6° | 85.1° |
| C7 | C8 | C9 | C13 | 178.1° | 179.4° |
| C7 | C8 | C9 | C10 | 178.7° | 180.0° |
| C7 | C8 | C13 | C12 | 179.4° | 179.7° |
| C7 | C8 | C13 | H5 | 0.6° | 0.3° |
| C8 | C7 | H13 | H14 | 119.1° | 120.0° |
| C7 | C8 | C9 | H15 | 1.3° | 0.0° |
| N3 | C1 | C2 | C5 | 0.2° | 0.1° |
| N3 | C1 | C2 | N1 | 179.9° | 179.9° |
| N3 | C1 | C2 | C3 | 180.0° | 180.0° |
| N3 | C1 | N1 | C4 | 179.8° | 180.0° |
| C1 | N3 | C6 | H12 | 180.0° | 180.0° |
| C5 | C2 | C1 | C3 | 179.9° | 180.0° |
| C5 | C2 | C1 | N1 | 180.0° | 180.0° |
| C5 | C2 | C3 | O1 | 0.0° | 0.0° |
| C5 | C2 | C3 | N2 | 179.9° | 179.9° |
| C2 | C5 | C6 | H12 | 179.9° | 179.9° |
| C2 | C5 | C7 | H13 | 165.1° | 155.0° |
| C2 | C5 | C7 | H14 | 45.7° | 34.9° |
| C2 | C1 | N1 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | O1 | 179.9° | 180.0° |
| C1 | C2 | C3 | N2 | 0.1° | 0.0° |
| C2 | C1 | N3 | H2 | 179.9° | 180.0° |
| N1 | C1 | C2 | C3 | 0.1° | 0.1° |
| C1 | N1 | C4 | N2 | 0.2° | 0.0° |
| C1 | N1 | C4 | N4 | 180.0° | 180.0° |
| N1 | C1 | N3 | H2 | 0.0° | 0.0° |
| C2 | C3 | O1 | N2 | 179.9° | 180.0° |
| C2 | C3 | N2 | C4 | 0.0° | 0.0° |
| C2 | C3 | N2 | H1 | 180.0° | 180.0° |
| C8 | C9 | C10 | H15 | 180.0° | 180.0° |
| C9 | C8 | C13 | C12 | 1.3° | 0.3° |
| C8 | C9 | C10 | C11 | 1.6° | 0.6° |
| C8 | C9 | C10 | H3 | 178.3° | 179.7° |
| C9 | C8 | C13 | H5 | 178.7° | 179.7° |
| C9 | C8 | C7 | H13 | 81.5° | 30.0° |
| C9 | C8 | C7 | H14 | 37.9° | 150.0° |
| C13 | C8 | C9 | C10 | 0.6° | 0.6° |
| C8 | C13 | C12 | H5 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.3° | 0.0° |
| C8 | C13 | C12 | H4 | 179.8° | 180.0° |
| C13 | C8 | C7 | H13 | 100.4° | 149.4° |
| C13 | C8 | C7 | H14 | 140.2° | 29.4° |
| C13 | C8 | C9 | H15 | 179.4° | 179.4° |
| N1 | C4 | N2 | C3 | 0.2° | 0.0° |
| N1 | C4 | N2 | N4 | 179.9° | 180.0° |
| N1 | C4 | N2 | H1 | 179.9° | 179.9° |
| N1 | C4 | N4 | H16 | 0.0° | 0.1° |
| N1 | C4 | N4 | H17 | 180.0° | 180.0° |
| C9 | C10 | C11 | H3 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 3.2° | 0.3° |
| C9 | C10 | C11 | C14 | 178.4° | 179.8° |
| O1 | C3 | N2 | C4 | 180.0° | 180.0° |
| O1 | C3 | N2 | H1 | 0.1° | 0.0° |
| C3 | N2 | C4 | H1 | 180.0° | 180.0° |
| C3 | N2 | C4 | N4 | 180.0° | 179.9° |
| N2 | C4 | N4 | H16 | 179.9° | 180.0° |
| N2 | C4 | N4 | H17 | 0.1° | 0.1° |
| N4 | C4 | N2 | H1 | 0.0° | 0.1° |
| C4 | N4 | H16 | H17 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 2.5° | 0.0° |
| C13 | C12 | C11 | H4 | 180.0° | 180.0° |
| C13 | C12 | C11 | C14 | 177.8° | 180.0° |
| C10 | C11 | C12 | C14 | 175.4° | 179.9° |
| C10 | C11 | C14 | O2 | 12.1° | 0.0° |
| C10 | C11 | C14 | N5 | 162.9° | 180.0° |
| C10 | C11 | C12 | H4 | 177.5° | 180.0° |
| C11 | C10 | C9 | H15 | 178.4° | 179.4° |
| C12 | C11 | C14 | O2 | 163.1° | 180.0° |
| C12 | C11 | C14 | N5 | 21.9° | 0.0° |
| C12 | C11 | C10 | H3 | 176.8° | 180.0° |
| C11 | C12 | C13 | H5 | 179.7° | 180.0° |
| C11 | C14 | O2 | N5 | 174.6° | 180.0° |
| C11 | C14 | N5 | C15 | 176.4° | 174.5° |
| C14 | C11 | C10 | H3 | 1.6° | 0.1° |
| C14 | C11 | C12 | H4 | 2.2° | 0.0° |
| C11 | C14 | N5 | H18 | 3.6° | 5.6° |
| O2 | C14 | N5 | C15 | 8.7° | 5.5° |
| O2 | C14 | N5 | H18 | 171.3° | 174.4° |
| C14 | N5 | C15 | H18 | 180.0° | 179.9° |
| C14 | N5 | C15 | C20 | 60.8° | 24.9° |
| C14 | N5 | C15 | C16 | 123.7° | 155.4° |
| N5 | C15 | C20 | C16 | 175.4° | 179.7° |
| N5 | C15 | C20 | C19 | 179.2° | 179.7° |
| N5 | C15 | C16 | C21 | 2.1° | 0.3° |
| N5 | C15 | C16 | C17 | 178.6° | 179.7° |
| N5 | C15 | C20 | H9 | 0.8° | 0.3° |
| O3 | C22 | O4 | C21 | 179.8° | 179.9° |
| O3 | C22 | C21 | C16 | 24.7° | 0.0° |
| O3 | C22 | C21 | H10 | 95.3° | 119.9° |
| O3 | C22 | C21 | H11 | 144.8° | 120.0° |
| O3 | C22 | O4 | H19 | 0.0° | 0.1° |
| O4 | C22 | C21 | C16 | 155.0° | 180.0° |
| O4 | C22 | C21 | H10 | 84.9° | 60.0° |
| O4 | C22 | C21 | H11 | 35.0° | 60.1° |
| C22 | C21 | C16 | C15 | 73.8° | 85.0° |
| C22 | C21 | C16 | H10 | 120.1° | 120.0° |
| C22 | C21 | C16 | H11 | 120.1° | 120.0° |
| C22 | C21 | C16 | C17 | 106.9° | 95.0° |
| C22 | C21 | H10 | H11 | 119.7° | 120.0° |
| C21 | C22 | O4 | H19 | 179.8° | 180.0° |
| C15 | C20 | C19 | H9 | 180.0° | 180.0° |
| C20 | C15 | C16 | C21 | 177.8° | 180.0° |
| C20 | C15 | C16 | C17 | 2.9° | 0.0° |
| C15 | C20 | C19 | C18 | 2.8° | 0.0° |
| C15 | C20 | C19 | H8 | 177.2° | 179.9° |
| C20 | C15 | N5 | H18 | 119.2° | 155.2° |
| C16 | C15 | C20 | C19 | 3.8° | 0.0° |
| C15 | C16 | C21 | C17 | 179.3° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C15 | C16 | C17 | H6 | 179.0° | 180.0° |
| C16 | C15 | C20 | H9 | 176.1° | 180.0° |
| C15 | C16 | C21 | H10 | 46.3° | 155.0° |
| C15 | C16 | C21 | H11 | 166.1° | 35.0° |
| C16 | C15 | N5 | H18 | 56.2° | 24.5° |
| C20 | C19 | C18 | H8 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.9° | 0.0° |
| C20 | C19 | C18 | H7 | 179.2° | 180.0° |
| C21 | C16 | C17 | C18 | 179.7° | 180.0° |
| C21 | C16 | C17 | H6 | 0.3° | 0.1° |
| C16 | C21 | H10 | H11 | 119.8° | 120.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | H7 | 179.9° | 180.0° |
| C17 | C16 | C21 | H10 | 133.1° | 24.9° |
| C17 | C16 | C21 | H11 | 13.2° | 145.0° |
| C19 | C18 | C17 | H7 | 180.0° | 180.0° |
| C19 | C18 | C17 | H6 | 180.0° | 179.9° |
| C18 | C19 | C20 | H9 | 177.2° | 180.0° |
| C17 | C18 | C19 | H8 | 179.1° | 179.9° |
| H2 | N3 | C6 | H12 | 0.0° | 0.0° |
| H3 | C10 | C9 | H15 | 1.7° | 0.3° |
| H4 | C12 | C13 | H5 | 0.2° | 0.0° |
| H6 | C17 | C18 | H7 | 0.1° | 0.0° |
| H7 | C18 | C19 | H8 | 0.9° | 0.1° |
| H8 | C19 | C20 | H9 | 2.8° | 0.1° |
