7OV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C13 | sing | 1.40Å | 1.37Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | N15 | sing | 1.47Å | 1.44Å | |
| O21 | C19 | doub | 1.22Å | 1.22Å | |
| C13 | F17 | sing | 1.40Å | 1.37Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C19 | N15 | sing | 1.35Å | 1.37Å | |
| C19 | C20 | sing | 1.48Å | 1.48Å | |
| N15 | C16 | sing | 1.47Å | 1.44Å | |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C22 | C20 | doub | 1.40Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C10 | sing | 1.53Å | 1.52Å | |
| C20 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C6 | sing | 1.51Å | 1.49Å | |
| C23 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.36Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.46Å | Aromatic |
| C6 | N5 | sing | 1.36Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | F28 | sing | 1.35Å | 1.36Å | |
| C25 | I27 | sing | 2.09Å | 2.11Å | |
| C11 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | N3 | doub | 1.31Å | 1.29Å | Aromatic |
| N5 | N9 | sing | 1.40Å | 1.35Å | Aromatic |
| N5 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | doub | 1.31Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| C4 | N7 | doub | 1.33Å | 1.32Å | Aromatic |
| C8 | N7 | sing | 1.33Å | 1.36Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C13 | C14 | 109.5° | 109.5° |
| F18 | C13 | F17 | 105.2° | 109.5° |
| F18 | C13 | C12 | 111.2° | 109.5° |
| C13 | C14 | N15 | 112.2° | 108.7° |
| C14 | C13 | F17 | 110.3° | 109.5° |
| C14 | C13 | C12 | 113.7° | 109.3° |
| C13 | C14 | H11 | 108.8° | 109.6° |
| C13 | C14 | H12 | 108.8° | 109.5° |
| C14 | N15 | C19 | 117.4° | 120.6° |
| C14 | N15 | C16 | 117.1° | 118.8° |
| N15 | C14 | H11 | 108.8° | 109.6° |
| N15 | C14 | H12 | 108.8° | 109.6° |
| O21 | C19 | N15 | 121.6° | 120.0° |
| O21 | C19 | C20 | 115.3° | 119.9° |
| F17 | C13 | C12 | 106.7° | 109.5° |
| C13 | C12 | C10 | 110.7° | 109.5° |
| C13 | C12 | H7 | 109.2° | 109.4° |
| C13 | C12 | H8 | 109.2° | 109.5° |
| N15 | C19 | C20 | 123.1° | 120.1° |
| C19 | N15 | C16 | 125.4° | 120.6° |
| C19 | C20 | C22 | 115.6° | 120.1° |
| C19 | C20 | C26 | 123.3° | 120.2° |
| N15 | C16 | C10 | 112.2° | 108.8° |
| N15 | C16 | H9 | 108.8° | 109.6° |
| N15 | C16 | H10 | 108.8° | 109.8° |
| C12 | C10 | C16 | 112.8° | 109.3° |
| C12 | C10 | C6 | 114.4° | 109.5° |
| C12 | C10 | H2 | 105.9° | 109.5° |
| C10 | C12 | H7 | 109.2° | 109.4° |
| C10 | C12 | H8 | 109.2° | 109.4° |
| C20 | C22 | C23 | 118.9° | 119.9° |
| C22 | C20 | C26 | 121.1° | 119.8° |
| C20 | C22 | H3 | 120.6° | 120.1° |
| C22 | C23 | C24 | 120.3° | 120.1° |
| C23 | C22 | H3 | 120.5° | 120.0° |
| C22 | C23 | H5 | 119.8° | 119.9° |
| C16 | C10 | C6 | 110.9° | 109.5° |
| C16 | C10 | H2 | 105.9° | 109.5° |
| C10 | C16 | H9 | 108.8° | 109.5° |
| C10 | C16 | H10 | 108.8° | 109.5° |
| C20 | C26 | C25 | 120.3° | 119.9° |
| C20 | C26 | H4 | 119.9° | 120.0° |
| C10 | C6 | C1 | 125.3° | 120.5° |
| C10 | C6 | N5 | 116.5° | 120.5° |
| C6 | C10 | H2 | 106.2° | 109.5° |
| C23 | C24 | C25 | 121.9° | 120.3° |
| C23 | C24 | F28 | 116.9° | 119.9° |
| C24 | C23 | H5 | 119.9° | 120.0° |
| C26 | C25 | C24 | 117.6° | 120.1° |
| C26 | C25 | I27 | 123.9° | 119.9° |
| C25 | C26 | H4 | 119.9° | 120.1° |
| C6 | C1 | C2 | 116.6° | 119.2° |
| C1 | C6 | N5 | 118.2° | 119.0° |
| C6 | C1 | H6 | 121.7° | 120.4° |
| C1 | C2 | C11 | 116.8° | 119.8° |
| C1 | C2 | N3 | 124.8° | 120.3° |
| C2 | C1 | H6 | 121.7° | 120.4° |
| C6 | N5 | N9 | 126.8° | 133.3° |
| C6 | N5 | C4 | 121.9° | 120.3° |
| C25 | C24 | F28 | 121.2° | 119.9° |
| C24 | C25 | I27 | 118.6° | 120.0° |
| C11 | C2 | N3 | 118.4° | 119.8° |
| C2 | C11 | H13 | 109.5° | 109.5° |
| C2 | C11 | H14 | 109.5° | 109.5° |
| C2 | C11 | H15 | 109.5° | 109.5° |
| C2 | N3 | C4 | 116.5° | 120.8° |
| N9 | N5 | C4 | 111.3° | 106.4° |
| N5 | N9 | C8 | 101.3° | 107.1° |
| N5 | C4 | N3 | 121.9° | 120.3° |
| N5 | C4 | N7 | 108.8° | 107.2° |
| N9 | C8 | N7 | 115.2° | 109.6° |
| N9 | C8 | H1 | 122.4° | 125.2° |
| N3 | C4 | N7 | 129.3° | 132.5° |
| C4 | N7 | C8 | 103.3° | 109.8° |
| N7 | C8 | H1 | 122.4° | 125.2° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.4° | 109.6° |
| H11 | C14 | H12 | 109.4° | 109.7° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H13 | C11 | H15 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C13 | C14 | F17 | 115.3° | 120.0° |
| F18 | C13 | C14 | C12 | 125.0° | 120.0° |
| F18 | C13 | C14 | N15 | 174.1° | 174.6° |
| F18 | C13 | F17 | C12 | 118.2° | 120.1° |
| F18 | C13 | C12 | C10 | 174.5° | 178.7° |
| F18 | C13 | C12 | H7 | 54.4° | 58.7° |
| F18 | C13 | C12 | H8 | 65.3° | 61.3° |
| F18 | C13 | C14 | H11 | 65.5° | 65.6° |
| F18 | C13 | C14 | H12 | 53.6° | 54.8° |
| C13 | C14 | N15 | H11 | 120.4° | 119.8° |
| C13 | C14 | N15 | H12 | 120.4° | 119.7° |
| C14 | C13 | F17 | C12 | 123.9° | 119.9° |
| C13 | C14 | N15 | C19 | 127.4° | 126.4° |
| C13 | C14 | N15 | C16 | 49.1° | 53.6° |
| C14 | C13 | C12 | C10 | 50.4° | 61.4° |
| C14 | C13 | C12 | H7 | 69.7° | 178.6° |
| C14 | C13 | C12 | H8 | 170.6° | 58.7° |
| C13 | C14 | H11 | H12 | 118.7° | 120.3° |
| C14 | N15 | C19 | O21 | 7.9° | 174.2° |
| N15 | C14 | C13 | F17 | 70.7° | 65.4° |
| N15 | C14 | C13 | C12 | 49.1° | 54.6° |
| C14 | N15 | C19 | C16 | 176.2° | 180.0° |
| C14 | N15 | C19 | C20 | 171.5° | 5.8° |
| C14 | N15 | C16 | C10 | 49.7° | 53.6° |
| C14 | N15 | C16 | H9 | 170.1° | 66.1° |
| C14 | N15 | C16 | H10 | 70.7° | 173.4° |
| N15 | C14 | H11 | H12 | 118.8° | 120.4° |
| O21 | C19 | N15 | C20 | 179.3° | 180.0° |
| O21 | C19 | N15 | C16 | 175.9° | 5.9° |
| O21 | C19 | C20 | C22 | 58.6° | 138.6° |
| O21 | C19 | C20 | C26 | 119.4° | 41.2° |
| F17 | C13 | C12 | C10 | 71.3° | 58.6° |
| F17 | C13 | C12 | H7 | 168.5° | 61.4° |
| F17 | C13 | C12 | H8 | 48.9° | 178.6° |
| F17 | C13 | C14 | H11 | 49.8° | 54.5° |
| F17 | C13 | C14 | H12 | 168.9° | 174.9° |
| C13 | C12 | C10 | H7 | 120.2° | 120.0° |
| C13 | C12 | C10 | H8 | 120.2° | 120.1° |
| C13 | C12 | C10 | C16 | 50.6° | 61.4° |
| C13 | C12 | C10 | C6 | 178.6° | 178.7° |
| C13 | C12 | C10 | H2 | 64.8° | 58.6° |
| C13 | C12 | H7 | H8 | 119.5° | 120.0° |
| C12 | C13 | C14 | H11 | 169.5° | 174.4° |
| C12 | C13 | C14 | H12 | 71.4° | 65.1° |
| N15 | C19 | C20 | C22 | 122.0° | 41.4° |
| C19 | N15 | C16 | C10 | 126.5° | 126.4° |
| N15 | C19 | C20 | C26 | 60.0° | 138.8° |
| C19 | N15 | C16 | H9 | 6.1° | 113.8° |
| C19 | N15 | C16 | H10 | 113.1° | 6.6° |
| C19 | N15 | C14 | H11 | 7.0° | 6.6° |
| C19 | N15 | C14 | H12 | 112.2° | 113.9° |
| C20 | C19 | N15 | C16 | 4.8° | 174.1° |
| C19 | C20 | C22 | C26 | 178.1° | 179.8° |
| C19 | C20 | C22 | C23 | 178.8° | 179.8° |
| C19 | C20 | C26 | C25 | 178.0° | 179.8° |
| C19 | C20 | C22 | H3 | 1.2° | 0.2° |
| C19 | C20 | C26 | H4 | 2.0° | 0.3° |
| N15 | C16 | C10 | C12 | 49.7° | 54.6° |
| N15 | C16 | C10 | H9 | 120.4° | 119.8° |
| N15 | C16 | C10 | H10 | 120.4° | 120.0° |
| N15 | C16 | C10 | C6 | 179.6° | 174.6° |
| N15 | C16 | C10 | H2 | 65.6° | 65.4° |
| N15 | C16 | H9 | H10 | 118.8° | 120.5° |
| C16 | N15 | C14 | H11 | 169.6° | 173.4° |
| C16 | N15 | C14 | H12 | 71.3° | 66.1° |
| C12 | C10 | C16 | C6 | 129.9° | 120.0° |
| C12 | C10 | C16 | H2 | 115.3° | 120.0° |
| C12 | C10 | C6 | H2 | 116.4° | 120.1° |
| C12 | C10 | C6 | C1 | 25.2° | 120.1° |
| C12 | C10 | C6 | N5 | 154.9° | 59.9° |
| C10 | C12 | H7 | H8 | 119.4° | 119.9° |
| C12 | C10 | C16 | H9 | 170.2° | 65.2° |
| C12 | C10 | C16 | H10 | 70.7° | 174.6° |
| C20 | C22 | C23 | H3 | 180.0° | 180.0° |
| C20 | C22 | C23 | C24 | 1.0° | 0.0° |
| C22 | C20 | C26 | C25 | 0.1° | 0.0° |
| C22 | C20 | C26 | H4 | 179.9° | 179.9° |
| C20 | C22 | C23 | H5 | 179.0° | 180.0° |
| C23 | C22 | C20 | C26 | 0.7° | 0.0° |
| C22 | C23 | C24 | H5 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.1° |
| C22 | C23 | C24 | F28 | 179.6° | 180.0° |
| C16 | C10 | C6 | H2 | 114.6° | 120.0° |
| C16 | C10 | C6 | C1 | 103.8° | 120.1° |
| C16 | C10 | C6 | N5 | 76.1° | 60.0° |
| C16 | C10 | C12 | H7 | 69.6° | 178.6° |
| C16 | C10 | C12 | H8 | 170.7° | 58.7° |
| C10 | C16 | H9 | H10 | 118.7° | 120.2° |
| C20 | C26 | C25 | H4 | 180.0° | 179.9° |
| C20 | C26 | C25 | C24 | 0.3° | 0.1° |
| C20 | C26 | C25 | I27 | 179.9° | 180.0° |
| C26 | C20 | C22 | H3 | 179.3° | 180.0° |
| C10 | C6 | C1 | N5 | 179.9° | 180.0° |
| C10 | C6 | C1 | C2 | 179.7° | 179.9° |
| C10 | C6 | N5 | N9 | 0.5° | 0.1° |
| C10 | C6 | N5 | C4 | 179.8° | 179.9° |
| C10 | C6 | C1 | H6 | 0.3° | 0.0° |
| C6 | C10 | C12 | H7 | 58.4° | 58.7° |
| C6 | C10 | C12 | H8 | 61.2° | 61.2° |
| C6 | C10 | C16 | H9 | 59.9° | 54.8° |
| C6 | C10 | C16 | H10 | 59.2° | 65.5° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C23 | C24 | C25 | F28 | 179.7° | 179.9° |
| C23 | C24 | C25 | I27 | 179.6° | 180.0° |
| C24 | C23 | C22 | H3 | 179.0° | 180.0° |
| C26 | C25 | C24 | I27 | 179.6° | 179.9° |
| C26 | C25 | C24 | F28 | 179.7° | 180.0° |
| C6 | C1 | C2 | H6 | 180.0° | 179.9° |
| C6 | C1 | C2 | C11 | 179.8° | 179.9° |
| C6 | C1 | C2 | N3 | 0.3° | 0.0° |
| C1 | C6 | N5 | N9 | 179.4° | 180.0° |
| C1 | C6 | N5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C10 | H2 | 141.6° | 0.0° |
| C2 | C1 | C6 | N5 | 0.4° | 0.1° |
| C1 | C2 | C11 | N3 | 179.9° | 179.9° |
| C1 | C2 | N3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C11 | H13 | 179.9° | 90.0° |
| C1 | C2 | C11 | H14 | 59.9° | 150.0° |
| C1 | C2 | C11 | H15 | 60.1° | 30.0° |
| C6 | N5 | N9 | C4 | 179.7° | 179.9° |
| C6 | N5 | N9 | C8 | 179.8° | 180.0° |
| C6 | N5 | C4 | N3 | 0.0° | 0.0° |
| C6 | N5 | C4 | N7 | 179.8° | 180.0° |
| N5 | C6 | C10 | H2 | 38.5° | 180.0° |
| N5 | C6 | C1 | H6 | 179.6° | 180.0° |
| C24 | C25 | C26 | H4 | 179.7° | 180.0° |
| C25 | C24 | C23 | H5 | 179.4° | 179.9° |
| F28 | C24 | C25 | I27 | 0.1° | 0.1° |
| F28 | C24 | C23 | H5 | 0.4° | 0.0° |
| I27 | C25 | C26 | H4 | 0.1° | 0.1° |
| C11 | C2 | N3 | C4 | 179.9° | 180.0° |
| C11 | C2 | C1 | H6 | 0.2° | 0.0° |
| C2 | C11 | H13 | H14 | 120.0° | 120.0° |
| C2 | C11 | H13 | H15 | 120.0° | 120.0° |
| C2 | C11 | H14 | H15 | 120.0° | 120.0° |
| C2 | N3 | C4 | N5 | 0.2° | 0.0° |
| C2 | N3 | C4 | N7 | 179.8° | 180.0° |
| N3 | C2 | C1 | H6 | 179.7° | 179.9° |
| N3 | C2 | C11 | H13 | 0.0° | 90.0° |
| N3 | C2 | C11 | H14 | 120.0° | 30.0° |
| N3 | C2 | C11 | H15 | 120.0° | 150.0° |
| N9 | N5 | C4 | N3 | 179.8° | 179.9° |
| N9 | N5 | C4 | N7 | 0.5° | 0.1° |
| N5 | N9 | C8 | N7 | 0.3° | 0.1° |
| N5 | N9 | C8 | H1 | 179.7° | 179.9° |
| C4 | N5 | N9 | C8 | 0.5° | 0.1° |
| N5 | C4 | N3 | N7 | 179.7° | 180.0° |
| N5 | C4 | N7 | C8 | 0.3° | 0.0° |
| N9 | C8 | N7 | C4 | 0.0° | 0.0° |
| N9 | C8 | N7 | H1 | 180.0° | 180.0° |
| N3 | C4 | N7 | C8 | 180.0° | 180.0° |
| C4 | N7 | C8 | H1 | 180.0° | 179.9° |
| H2 | C10 | C12 | H7 | 175.0° | 61.4° |
| H2 | C10 | C12 | H8 | 55.4° | 178.7° |
| H2 | C10 | C16 | H9 | 54.8° | 174.8° |
| H2 | C10 | C16 | H10 | 174.0° | 54.6° |
| H3 | C22 | C23 | H5 | 1.0° | 0.0° |
| H13 | C11 | H14 | H15 | 120.0° | 119.9° |
