7BP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F16 | C15 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.43Å | 1.46Å | |
| C17 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C12 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | O11 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C5 | C23 | sing | 1.55Å | 1.53Å | |
| C5 | C2 | sing | 1.53Å | 1.56Å | |
| C5 | C7 | sing | 1.54Å | 1.53Å | |
| C18 | N19 | trip | 1.14Å | 1.12Å | |
| C10 | O11 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C23 | C21 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O22 | C21 | doub | 1.21Å | 1.22Å | |
| C21 | N8 | sing | 1.34Å | 1.34Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| N8 | C9 | sing | 1.46Å | 1.45Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H37 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.08Å | 1.08Å | |
| C14 | H40 | sing | 1.08Å | 1.08Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F16 | C15 | C14 | 119.7° | 120.1° |
| F16 | C15 | C17 | 118.8° | 120.0° |
| C15 | C14 | C13 | 119.2° | 120.2° |
| C14 | C15 | C17 | 121.5° | 119.9° |
| C15 | C14 | H40 | 120.3° | 119.9° |
| C14 | C13 | C12 | 120.3° | 120.3° |
| C14 | C13 | H39 | 119.9° | 119.8° |
| C13 | C14 | H40 | 120.4° | 119.9° |
| C15 | C17 | C18 | 119.6° | 120.2° |
| C15 | C17 | C20 | 119.3° | 119.7° |
| C13 | C12 | C20 | 119.9° | 120.1° |
| C13 | C12 | O11 | 124.4° | 119.9° |
| C12 | C13 | H39 | 119.8° | 119.9° |
| C18 | C17 | C20 | 121.1° | 120.1° |
| C17 | C18 | N19 | 179.9° | 180.0° |
| C17 | C20 | C12 | 119.7° | 119.8° |
| C17 | C20 | H41 | 120.2° | 120.1° |
| C4 | C2 | C1 | 108.8° | 109.4° |
| C4 | C2 | C5 | 109.6° | 109.4° |
| C4 | C2 | C3 | 109.2° | 109.5° |
| C2 | C4 | H30 | 109.5° | 109.5° |
| C2 | C4 | H31 | 109.4° | 109.4° |
| C2 | C4 | H32 | 109.5° | 109.5° |
| C20 | C12 | O11 | 115.7° | 119.9° |
| C12 | C20 | H41 | 120.2° | 120.1° |
| C12 | O11 | C10 | 118.2° | 117.0° |
| C1 | C2 | C5 | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.1° | 109.5° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C2 | C1 | H25 | 109.5° | 109.5° |
| C2 | C1 | H26 | 109.5° | 109.5° |
| C23 | C5 | C2 | 116.8° | 111.0° |
| C23 | C5 | C7 | 104.1° | 101.8° |
| C5 | C23 | C21 | 103.6° | 104.2° |
| C23 | C5 | H6 | 106.5° | 111.0° |
| C5 | C23 | H42 | 110.9° | 110.5° |
| C5 | C23 | H43 | 110.9° | 110.5° |
| C2 | C5 | C7 | 115.9° | 110.9° |
| C5 | C2 | C3 | 110.7° | 109.5° |
| C2 | C5 | H6 | 106.2° | 110.9° |
| C5 | C7 | N8 | 103.4° | 105.5° |
| C7 | C5 | H6 | 106.5° | 111.0° |
| C5 | C7 | H33 | 111.0° | 110.3° |
| C5 | C7 | H34 | 110.9° | 110.3° |
| O11 | C10 | C9 | 108.6° | 109.5° |
| O11 | C10 | H38 | 109.7° | 109.5° |
| O11 | C10 | H37 | 109.7° | 109.5° |
| C10 | C9 | N8 | 112.8° | 109.5° |
| C9 | C10 | H38 | 109.7° | 109.5° |
| C9 | C10 | H37 | 109.7° | 109.4° |
| C10 | C9 | H36 | 108.6° | 109.5° |
| C10 | C9 | H35 | 108.6° | 109.4° |
| C23 | C21 | O22 | 126.2° | 124.9° |
| C23 | C21 | N8 | 108.9° | 110.1° |
| C21 | C23 | H42 | 110.9° | 110.5° |
| C21 | C23 | H43 | 110.9° | 110.5° |
| C2 | C3 | H29 | 109.5° | 109.5° |
| C2 | C3 | H27 | 109.5° | 109.5° |
| C2 | C3 | H28 | 109.5° | 109.5° |
| O22 | C21 | N8 | 124.9° | 125.0° |
| C21 | N8 | C7 | 113.8° | 111.3° |
| C21 | N8 | C9 | 123.8° | 124.4° |
| C7 | N8 | C9 | 122.3° | 124.3° |
| N8 | C7 | H33 | 111.0° | 110.2° |
| N8 | C7 | H34 | 111.0° | 110.3° |
| N8 | C9 | H36 | 108.6° | 109.5° |
| N8 | C9 | H35 | 108.6° | 109.5° |
| H24 | C1 | H25 | 109.5° | 109.5° |
| H24 | C1 | H26 | 109.5° | 109.4° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H29 | C3 | H27 | 109.5° | 109.5° |
| H29 | C3 | H28 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H33 | C7 | H34 | 109.5° | 110.3° |
| H38 | C10 | H37 | 109.5° | 109.5° |
| H42 | C23 | H43 | 109.5° | 110.5° |
| H30 | C4 | H31 | 109.5° | 109.5° |
| H30 | C4 | H32 | 109.5° | 109.5° |
| H31 | C4 | H32 | 109.5° | 109.5° |
| H36 | C9 | H35 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F16 | C15 | C14 | C17 | 180.0° | 180.0° |
| F16 | C15 | C14 | C13 | 179.9° | 180.0° |
| F16 | C15 | C17 | C18 | 0.0° | 0.1° |
| F16 | C15 | C17 | C20 | 180.0° | 180.0° |
| F16 | C15 | C14 | H40 | 0.1° | 0.0° |
| C15 | C14 | C13 | H40 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C17 | C18 | 180.0° | 180.0° |
| C14 | C15 | C17 | C20 | 0.0° | 0.1° |
| C15 | C14 | C13 | H39 | 179.9° | 180.0° |
| C13 | C14 | C15 | C17 | 0.1° | 0.0° |
| C14 | C13 | C12 | H39 | 180.0° | 180.0° |
| C14 | C13 | C12 | C20 | 0.1° | 0.0° |
| C14 | C13 | C12 | O11 | 180.0° | 179.7° |
| C15 | C17 | C18 | C20 | 180.0° | 179.9° |
| C15 | C17 | C20 | C12 | 0.0° | 0.1° |
| C15 | C17 | C18 | N19 | 32.1° | 47.1° |
| C17 | C15 | C14 | H40 | 179.9° | 180.0° |
| C15 | C17 | C20 | H41 | 180.0° | 179.7° |
| C13 | C12 | C20 | C17 | 0.1° | 0.0° |
| C13 | C12 | C20 | O11 | 179.9° | 179.7° |
| C13 | C12 | O11 | C10 | 0.6° | 0.3° |
| C12 | C13 | C14 | H40 | 179.9° | 180.0° |
| C13 | C12 | C20 | H41 | 179.9° | 179.8° |
| C18 | C17 | C20 | C12 | 180.0° | 180.0° |
| C18 | C17 | C20 | H41 | 0.0° | 0.2° |
| C17 | C20 | C12 | H41 | 180.0° | 179.8° |
| C17 | C20 | C12 | O11 | 180.0° | 179.8° |
| C20 | C17 | C18 | N19 | 148.0° | 133.0° |
| C4 | C2 | C1 | C5 | 119.7° | 119.9° |
| C4 | C2 | C1 | C3 | 119.1° | 120.0° |
| C4 | C2 | C5 | C23 | 60.6° | 59.9° |
| C4 | C2 | C5 | C3 | 120.5° | 120.0° |
| C4 | C2 | C5 | C7 | 176.1° | 172.3° |
| C4 | C2 | C1 | H24 | 180.0° | 53.4° |
| C4 | C2 | C1 | H25 | 60.0° | 66.7° |
| C4 | C2 | C1 | H26 | 60.0° | 173.3° |
| C4 | C2 | C3 | H29 | 180.0° | 180.0° |
| C4 | C2 | C3 | H27 | 60.0° | 60.0° |
| C4 | C2 | C3 | H28 | 60.0° | 60.0° |
| C4 | C2 | C5 | H6 | 57.9° | 63.9° |
| C2 | C4 | H30 | H31 | 120.0° | 120.0° |
| C2 | C4 | H30 | H32 | 120.0° | 120.0° |
| C2 | C4 | H31 | H32 | 120.0° | 120.0° |
| C20 | C12 | O11 | C10 | 179.3° | 180.0° |
| C20 | C12 | C13 | H39 | 179.9° | 180.0° |
| C12 | O11 | C10 | C9 | 175.9° | 180.0° |
| C12 | O11 | C10 | H38 | 56.0° | 60.0° |
| C12 | O11 | C10 | H37 | 64.2° | 60.0° |
| O11 | C12 | C13 | H39 | 0.0° | 0.2° |
| O11 | C12 | C20 | H41 | 0.0° | 0.0° |
| C1 | C2 | C5 | C23 | 179.9° | 60.0° |
| C1 | C2 | C5 | C3 | 120.2° | 120.0° |
| C1 | C2 | C5 | C7 | 56.8° | 52.3° |
| C2 | C1 | H24 | H25 | 120.0° | 120.0° |
| C2 | C1 | H24 | H26 | 120.0° | 120.0° |
| C2 | C1 | H25 | H26 | 120.0° | 120.0° |
| C1 | C2 | C3 | H29 | 61.2° | 60.0° |
| C1 | C2 | C3 | H27 | 58.8° | 180.0° |
| C1 | C2 | C3 | H28 | 178.8° | 60.0° |
| C1 | C2 | C5 | H6 | 61.3° | 176.2° |
| C1 | C2 | C4 | H30 | 180.0° | 60.1° |
| C1 | C2 | C4 | H31 | 60.0° | 180.0° |
| C1 | C2 | C4 | H32 | 60.0° | 60.0° |
| C23 | C5 | C2 | C7 | 123.3° | 112.3° |
| C23 | C5 | C2 | H6 | 118.6° | 123.8° |
| C23 | C5 | C7 | H6 | 112.4° | 118.2° |
| C5 | C23 | C21 | H42 | 119.1° | 118.7° |
| C5 | C23 | C21 | H43 | 119.1° | 118.7° |
| C23 | C5 | C2 | C3 | 59.9° | 179.9° |
| C5 | C23 | C21 | O22 | 162.7° | 163.7° |
| C5 | C23 | C21 | N8 | 17.4° | 16.2° |
| C23 | C5 | C7 | N8 | 22.5° | 25.5° |
| C23 | C5 | C7 | H33 | 141.6° | 144.4° |
| C23 | C5 | C7 | H34 | 96.5° | 93.5° |
| C5 | C23 | H42 | H43 | 122.7° | 122.6° |
| C2 | C5 | C7 | H6 | 117.9° | 123.8° |
| C2 | C5 | C23 | C21 | 153.4° | 142.9° |
| C2 | C5 | C7 | N8 | 152.2° | 143.5° |
| C5 | C2 | C1 | H24 | 60.2° | 173.3° |
| C5 | C2 | C1 | H25 | 59.7° | 53.3° |
| C5 | C2 | C1 | H26 | 179.7° | 66.7° |
| C5 | C2 | C3 | H29 | 59.2° | 60.0° |
| C5 | C2 | C3 | H27 | 179.2° | 60.0° |
| C5 | C2 | C3 | H28 | 60.8° | 179.9° |
| C2 | C5 | C7 | H33 | 88.7° | 97.5° |
| C2 | C5 | C7 | H34 | 33.2° | 24.5° |
| C2 | C5 | C23 | H42 | 34.3° | 24.2° |
| C2 | C5 | C23 | H43 | 87.5° | 98.5° |
| C5 | C2 | C4 | H30 | 60.4° | 180.0° |
| C5 | C2 | C4 | H31 | 179.6° | 60.0° |
| C5 | C2 | C4 | H32 | 59.7° | 60.0° |
| C7 | C5 | C23 | C21 | 24.2° | 24.8° |
| C7 | C5 | C2 | C3 | 63.4° | 67.7° |
| C5 | C7 | N8 | C21 | 12.9° | 17.1° |
| C5 | C7 | N8 | H33 | 119.1° | 119.0° |
| C5 | C7 | N8 | H34 | 119.0° | 119.0° |
| C5 | C7 | N8 | C9 | 171.1° | 163.0° |
| C5 | C7 | H33 | H34 | 122.8° | 122.0° |
| C7 | C5 | C23 | H42 | 94.9° | 93.8° |
| C7 | C5 | C23 | H43 | 143.3° | 143.5° |
| O11 | C10 | C9 | H38 | 119.9° | 120.0° |
| O11 | C10 | C9 | H37 | 119.9° | 120.0° |
| O11 | C10 | C9 | N8 | 175.1° | 65.0° |
| O11 | C10 | H38 | H37 | 120.4° | 120.0° |
| O11 | C10 | C9 | H36 | 64.4° | 174.9° |
| O11 | C10 | C9 | H35 | 54.6° | 55.0° |
| C10 | C9 | N8 | C21 | 97.0° | 89.9° |
| C10 | C9 | N8 | C7 | 87.4° | 90.0° |
| C10 | C9 | N8 | H36 | 120.5° | 120.0° |
| C10 | C9 | N8 | H35 | 120.5° | 120.0° |
| C9 | C10 | H38 | H37 | 120.4° | 119.9° |
| C10 | C9 | H36 | H35 | 118.5° | 119.9° |
| C23 | C21 | O22 | N8 | 179.9° | 180.0° |
| C23 | C21 | N8 | C7 | 2.9° | 0.5° |
| C23 | C21 | N8 | C9 | 173.1° | 179.6° |
| C21 | C23 | C5 | H6 | 88.2° | 93.4° |
| C21 | C23 | H42 | H43 | 122.7° | 122.6° |
| C3 | C2 | C1 | H24 | 61.0° | 66.7° |
| C3 | C2 | C1 | H25 | 179.1° | 173.3° |
| C3 | C2 | C1 | H26 | 59.1° | 53.3° |
| C2 | C3 | H29 | H27 | 120.0° | 120.0° |
| C2 | C3 | H29 | H28 | 120.0° | 120.0° |
| C2 | C3 | H27 | H28 | 120.0° | 120.0° |
| C3 | C2 | C5 | H6 | 178.5° | 56.1° |
| C3 | C2 | C4 | H30 | 61.0° | 60.0° |
| C3 | C2 | C4 | H31 | 59.0° | 60.0° |
| C3 | C2 | C4 | H32 | 178.9° | 180.0° |
| O22 | C21 | N8 | C7 | 177.2° | 179.6° |
| O22 | C21 | N8 | C9 | 6.8° | 0.4° |
| O22 | C21 | C23 | H42 | 78.2° | 77.5° |
| O22 | C21 | C23 | H43 | 43.6° | 45.1° |
| C21 | N8 | C7 | C9 | 176.1° | 179.9° |
| C21 | N8 | C7 | H33 | 131.9° | 136.1° |
| C21 | N8 | C7 | H34 | 106.2° | 101.9° |
| N8 | C21 | C23 | H42 | 101.7° | 102.5° |
| N8 | C21 | C23 | H43 | 136.5° | 134.9° |
| C21 | N8 | C9 | H36 | 23.5° | 150.0° |
| C21 | N8 | C9 | H35 | 142.5° | 30.0° |
| N8 | C7 | C5 | H6 | 89.8° | 92.7° |
| N8 | C7 | H33 | H34 | 122.8° | 121.9° |
| C7 | N8 | C9 | H36 | 152.1° | 30.1° |
| C7 | N8 | C9 | H35 | 33.1° | 150.0° |
| C9 | N8 | C7 | H33 | 52.0° | 44.0° |
| C9 | N8 | C7 | H34 | 69.9° | 78.0° |
| N8 | C9 | C10 | H38 | 55.2° | 175.0° |
| N8 | C9 | C10 | H37 | 65.1° | 55.1° |
| N8 | C9 | H36 | H35 | 118.5° | 120.0° |
| H24 | C1 | H25 | H26 | 120.0° | 119.9° |
| H29 | C3 | H27 | H28 | 120.0° | 120.0° |
| H6 | C5 | C7 | H33 | 29.2° | 26.3° |
| H6 | C5 | C7 | H34 | 151.1° | 148.3° |
| H6 | C5 | C23 | H42 | 152.7° | 148.0° |
| H6 | C5 | C23 | H43 | 30.9° | 25.3° |
| H38 | C10 | C9 | H36 | 175.7° | 55.0° |
| H38 | C10 | C9 | H35 | 65.3° | 65.0° |
| H37 | C10 | C9 | H36 | 55.4° | 65.0° |
| H37 | C10 | C9 | H35 | 174.5° | 175.0° |
| H39 | C13 | C14 | H40 | 0.1° | 0.0° |
| H30 | C4 | H31 | H32 | 120.0° | 120.0° |
