7VV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F7 | C5 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C8 | sing | 1.51Å | 1.55Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.53Å | 1.57Å | |
| N21 | C17 | sing | 1.38Å | 1.30Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | N14 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | O22 | sing | 1.36Å | 1.41Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C17 | N14 | sing | 1.35Å | 1.29Å | Aromatic |
| C17 | N16 | doub | 1.32Å | 1.26Å | Aromatic |
| O22 | C23 | sing | 1.43Å | 1.44Å | |
| N14 | C13 | sing | 1.38Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| N16 | C15 | sing | 1.35Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | doub | 1.34Å | 1.35Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C20 | sing | 1.53Å | 1.56Å | |
| C1 | H24 | sing | 1.08Å | 1.08Å | |
| C3 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H42 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.08Å | 1.08Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| N21 | H43 | sing | 0.97Å | 1.00Å | |
| N21 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F7 | C5 | C6 | 119.4° | 120.0° |
| F7 | C5 | C4 | 120.2° | 120.0° |
| C5 | C6 | C1 | 120.1° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C5 | C6 | H26 | 120.0° | 119.9° |
| C6 | C1 | C2 | 120.5° | 120.0° |
| C6 | C1 | H24 | 119.8° | 120.0° |
| C1 | C6 | H26 | 119.9° | 120.0° |
| C5 | C4 | C8 | 121.7° | 120.0° |
| C5 | C4 | C3 | 119.0° | 120.1° |
| C1 | C2 | C3 | 118.6° | 119.9° |
| C1 | C2 | O22 | 120.3° | 120.0° |
| C2 | C1 | H24 | 119.7° | 120.0° |
| C8 | C4 | C3 | 119.1° | 120.0° |
| C4 | C8 | C10 | 114.6° | 109.5° |
| C4 | C8 | H28 | 108.2° | 109.5° |
| C4 | C8 | H27 | 108.2° | 109.5° |
| C4 | C3 | C2 | 121.3° | 119.9° |
| C4 | C3 | H25 | 119.4° | 120.0° |
| C8 | C10 | C9 | 112.2° | 109.4° |
| C8 | C10 | C11 | 113.9° | 109.5° |
| C10 | C8 | H28 | 108.2° | 109.5° |
| C10 | C8 | H27 | 108.2° | 109.5° |
| C8 | C10 | H31 | 107.0° | 109.4° |
| N21 | C17 | N14 | 125.9° | 125.9° |
| N21 | C17 | N16 | 124.6° | 125.9° |
| C17 | N21 | H43 | 109.5° | 120.0° |
| C17 | N21 | H44 | 109.5° | 120.0° |
| C10 | C9 | N14 | 110.2° | 108.7° |
| C9 | C10 | C11 | 109.1° | 109.7° |
| C10 | C9 | H30 | 109.3° | 109.6° |
| C10 | C9 | H29 | 109.3° | 109.6° |
| C9 | C10 | H31 | 107.1° | 109.4° |
| C9 | N14 | C17 | 125.5° | 128.6° |
| C9 | N14 | C13 | 124.8° | 124.3° |
| N14 | C9 | H30 | 109.3° | 109.6° |
| N14 | C9 | H29 | 109.3° | 109.6° |
| C3 | C2 | O22 | 120.9° | 120.0° |
| C2 | C3 | H25 | 119.3° | 120.0° |
| C2 | O22 | C23 | 122.7° | 117.0° |
| C10 | C11 | C12 | 109.8° | 109.4° |
| C10 | C11 | H33 | 109.4° | 109.4° |
| C10 | C11 | H32 | 109.4° | 109.5° |
| C11 | C10 | H31 | 107.1° | 109.4° |
| N14 | C17 | N16 | 109.5° | 108.2° |
| C17 | N14 | C13 | 109.6° | 107.1° |
| C17 | N16 | C15 | 110.0° | 109.4° |
| O22 | C23 | H47 | 109.5° | 109.4° |
| O22 | C23 | H46 | 109.5° | 109.5° |
| O22 | C23 | H45 | 109.5° | 109.4° |
| N14 | C13 | C12 | 123.6° | 124.1° |
| N14 | C13 | C15 | 109.4° | 107.1° |
| C11 | C12 | C13 | 112.2° | 108.0° |
| C12 | C11 | H33 | 109.4° | 109.5° |
| C12 | C11 | H32 | 109.4° | 109.5° |
| C11 | C12 | H35 | 108.8° | 109.8° |
| C11 | C12 | H34 | 108.8° | 109.7° |
| N16 | C15 | C13 | 101.5° | 108.1° |
| N16 | C15 | C18 | 126.1° | 125.9° |
| C12 | C13 | C15 | 126.8° | 128.8° |
| C13 | C12 | H35 | 108.8° | 109.7° |
| C13 | C12 | H34 | 108.8° | 109.8° |
| C13 | C15 | C18 | 132.4° | 125.9° |
| C15 | C18 | C19 | 107.2° | 109.5° |
| C15 | C18 | C20 | 109.6° | 109.5° |
| C15 | C18 | H36 | 110.0° | 109.4° |
| C19 | C18 | C20 | 111.4° | 109.5° |
| C19 | C18 | H36 | 109.4° | 109.5° |
| C18 | C19 | H39 | 109.5° | 109.4° |
| C18 | C19 | H38 | 109.5° | 109.5° |
| C18 | C19 | H37 | 109.5° | 109.5° |
| C20 | C18 | H36 | 109.3° | 109.5° |
| C18 | C20 | H42 | 109.5° | 109.5° |
| C18 | C20 | H41 | 109.5° | 109.4° |
| C18 | C20 | H40 | 109.5° | 109.4° |
| H33 | C11 | H32 | 109.5° | 109.5° |
| H35 | C12 | H34 | 109.5° | 109.8° |
| H39 | C19 | H38 | 109.5° | 109.5° |
| H39 | C19 | H37 | 109.5° | 109.4° |
| H38 | C19 | H37 | 109.4° | 109.5° |
| H42 | C20 | H41 | 109.4° | 109.5° |
| H42 | C20 | H40 | 109.5° | 109.5° |
| H41 | C20 | H40 | 109.5° | 109.5° |
| H47 | C23 | H46 | 109.5° | 109.5° |
| H47 | C23 | H45 | 109.5° | 109.5° |
| H46 | C23 | H45 | 109.5° | 109.5° |
| H28 | C8 | H27 | 109.4° | 109.4° |
| H30 | C9 | H29 | 109.5° | 109.7° |
| H43 | N21 | H44 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F7 | C5 | C6 | C4 | 178.2° | 179.8° |
| F7 | C5 | C6 | C1 | 179.4° | 179.7° |
| F7 | C5 | C4 | C8 | 4.8° | 0.0° |
| F7 | C5 | C4 | C3 | 179.4° | 180.0° |
| F7 | C5 | C6 | H26 | 0.6° | 0.2° |
| C5 | C6 | C1 | H26 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.3° | 0.6° |
| C6 | C5 | C4 | C8 | 177.0° | 179.7° |
| C6 | C5 | C4 | C3 | 2.4° | 0.3° |
| C5 | C6 | C1 | H24 | 179.7° | 179.8° |
| C1 | C6 | C5 | C4 | 2.4° | 0.6° |
| C6 | C1 | C2 | H24 | 180.0° | 179.6° |
| C6 | C1 | C2 | C3 | 2.9° | 0.3° |
| C6 | C1 | C2 | O22 | 177.7° | 179.7° |
| C5 | C4 | C8 | C3 | 174.7° | 180.0° |
| C5 | C4 | C8 | C10 | 91.0° | 80.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H25 | 179.7° | 180.0° |
| C4 | C5 | C6 | H26 | 177.6° | 180.0° |
| C5 | C4 | C8 | H28 | 148.2° | 40.0° |
| C5 | C4 | C8 | H27 | 29.8° | 160.0° |
| C1 | C2 | C3 | C4 | 2.9° | 0.0° |
| C1 | C2 | C3 | O22 | 174.8° | 180.0° |
| C1 | C2 | O22 | C23 | 176.4° | 0.0° |
| C1 | C2 | C3 | H25 | 177.1° | 180.0° |
| C2 | C1 | C6 | H26 | 179.7° | 180.0° |
| C4 | C8 | C10 | H28 | 120.8° | 120.0° |
| C4 | C8 | C10 | H27 | 120.8° | 120.0° |
| C4 | C8 | C10 | C9 | 59.8° | 65.0° |
| C8 | C4 | C3 | C2 | 174.5° | 180.0° |
| C4 | C8 | C10 | C11 | 64.8° | 174.7° |
| C8 | C4 | C3 | H25 | 5.5° | 0.0° |
| C4 | C8 | H28 | H27 | 117.7° | 120.0° |
| C4 | C8 | C10 | H31 | 177.0° | 54.9° |
| C3 | C4 | C8 | C10 | 94.4° | 100.0° |
| C4 | C3 | C2 | H25 | 180.0° | 180.0° |
| C4 | C3 | C2 | O22 | 177.7° | 180.0° |
| C3 | C4 | C8 | H28 | 26.4° | 140.0° |
| C3 | C4 | C8 | H27 | 144.9° | 20.0° |
| C8 | C10 | C9 | C11 | 127.2° | 120.1° |
| C8 | C10 | C9 | H31 | 117.1° | 119.9° |
| C8 | C10 | C9 | N14 | 179.9° | 170.9° |
| C8 | C10 | C11 | H31 | 118.1° | 119.9° |
| C8 | C10 | C11 | C12 | 171.4° | 169.8° |
| C8 | C10 | C11 | H33 | 68.6° | 49.8° |
| C8 | C10 | C11 | H32 | 51.4° | 70.2° |
| C10 | C8 | H28 | H27 | 117.6° | 120.0° |
| C8 | C10 | C9 | H30 | 60.0° | 69.3° |
| C8 | C10 | C9 | H29 | 59.8° | 51.2° |
| N21 | C17 | N14 | C9 | 3.4° | 0.3° |
| N21 | C17 | N14 | N16 | 178.4° | 179.9° |
| N21 | C17 | N14 | C13 | 179.0° | 179.9° |
| N21 | C17 | N16 | C15 | 179.9° | 179.9° |
| C17 | N21 | H43 | H44 | 120.0° | 180.0° |
| C10 | C9 | N14 | H30 | 120.1° | 119.8° |
| C10 | C9 | N14 | H29 | 120.1° | 119.7° |
| C9 | C10 | C11 | H31 | 115.7° | 120.0° |
| C10 | C9 | N14 | C17 | 161.4° | 162.6° |
| C10 | C9 | N14 | C13 | 21.4° | 17.2° |
| C9 | C10 | C11 | C12 | 62.3° | 70.1° |
| C9 | C10 | C11 | H33 | 57.7° | 169.9° |
| C9 | C10 | C11 | H32 | 177.6° | 49.9° |
| C9 | C10 | C8 | H28 | 179.4° | 55.0° |
| C9 | C10 | C8 | H27 | 61.0° | 175.0° |
| C10 | C9 | H30 | H29 | 119.7° | 120.4° |
| N14 | C9 | C10 | C11 | 52.7° | 50.8° |
| C9 | N14 | C17 | C13 | 177.5° | 179.8° |
| C9 | N14 | C17 | N16 | 178.2° | 179.8° |
| C9 | N14 | C13 | C12 | 2.0° | 0.2° |
| C9 | N14 | C13 | C15 | 176.8° | 179.8° |
| N14 | C9 | H30 | H29 | 119.7° | 120.4° |
| N14 | C9 | C10 | H31 | 63.0° | 69.2° |
| C3 | C2 | O22 | C23 | 8.9° | 180.0° |
| C3 | C2 | C1 | H24 | 177.1° | 179.9° |
| O22 | C2 | C1 | H24 | 2.3° | 0.1° |
| O22 | C2 | C3 | H25 | 2.3° | 0.0° |
| C2 | O22 | C23 | H47 | 180.0° | 180.0° |
| C2 | O22 | C23 | H46 | 60.0° | 60.0° |
| C2 | O22 | C23 | H45 | 60.0° | 60.0° |
| C10 | C11 | C12 | H33 | 120.0° | 119.9° |
| C10 | C11 | C12 | H32 | 120.1° | 120.0° |
| C10 | C11 | C12 | C13 | 38.8° | 48.9° |
| C10 | C11 | H33 | H32 | 119.9° | 120.0° |
| C10 | C11 | C12 | H35 | 159.2° | 168.5° |
| C10 | C11 | C12 | H34 | 81.6° | 70.8° |
| C11 | C10 | C8 | H28 | 55.9° | 65.2° |
| C11 | C10 | C8 | H27 | 174.4° | 54.7° |
| C11 | C10 | C9 | H30 | 172.8° | 170.6° |
| C11 | C10 | C9 | H29 | 67.4° | 68.9° |
| N14 | C17 | N16 | C15 | 1.7° | 0.0° |
| C17 | N14 | C13 | C12 | 175.5° | 179.9° |
| C17 | N14 | C13 | C15 | 0.7° | 0.1° |
| C17 | N14 | C9 | H30 | 41.3° | 42.8° |
| C17 | N14 | C9 | H29 | 78.5° | 77.7° |
| N14 | C17 | N21 | H43 | 178.2° | 0.0° |
| N14 | C17 | N21 | H44 | 58.2° | 179.9° |
| N16 | C17 | N14 | C13 | 0.7° | 0.1° |
| C17 | N16 | C15 | C13 | 2.0° | 0.0° |
| C17 | N16 | C15 | C18 | 179.6° | 180.0° |
| N16 | C17 | N21 | H43 | 0.0° | 180.0° |
| N16 | C17 | N21 | H44 | 120.0° | 0.0° |
| O22 | C23 | H47 | H46 | 120.0° | 120.0° |
| O22 | C23 | H47 | H45 | 120.0° | 119.9° |
| O22 | C23 | H46 | H45 | 120.0° | 120.0° |
| N14 | C13 | C12 | C11 | 7.1° | 15.8° |
| N14 | C13 | C15 | N16 | 1.6° | 0.0° |
| N14 | C13 | C12 | C15 | 173.9° | 180.0° |
| N14 | C13 | C15 | C18 | 179.0° | 179.9° |
| N14 | C13 | C12 | H35 | 127.5° | 135.4° |
| N14 | C13 | C12 | H34 | 113.3° | 103.9° |
| C13 | N14 | C9 | H30 | 141.5° | 137.0° |
| C13 | N14 | C9 | H29 | 98.7° | 102.5° |
| C11 | C12 | C13 | H35 | 120.4° | 119.6° |
| C11 | C12 | C13 | H34 | 120.4° | 119.6° |
| C11 | C12 | C13 | C15 | 166.8° | 164.2° |
| C12 | C11 | H33 | H32 | 119.8° | 120.1° |
| C11 | C12 | H35 | H34 | 118.8° | 120.7° |
| C12 | C11 | C10 | H31 | 53.4° | 49.9° |
| N16 | C15 | C13 | C12 | 176.2° | 179.9° |
| N16 | C15 | C13 | C18 | 177.4° | 180.0° |
| N16 | C15 | C18 | C19 | 57.0° | 60.0° |
| N16 | C15 | C18 | C20 | 64.0° | 60.1° |
| N16 | C15 | C18 | H36 | 175.8° | 180.0° |
| C12 | C13 | C15 | C18 | 6.4° | 0.1° |
| C13 | C12 | C11 | H33 | 81.2° | 168.8° |
| C13 | C12 | C11 | H32 | 158.9° | 71.2° |
| C13 | C12 | H35 | H34 | 118.7° | 120.7° |
| C13 | C15 | C18 | C19 | 119.8° | 120.0° |
| C13 | C15 | C18 | C20 | 119.2° | 120.0° |
| C15 | C13 | C12 | H35 | 46.4° | 44.6° |
| C15 | C13 | C12 | H34 | 72.8° | 76.1° |
| C13 | C15 | C18 | H36 | 1.0° | 0.0° |
| C15 | C18 | C19 | C20 | 119.8° | 120.0° |
| C15 | C18 | C19 | H36 | 119.2° | 120.0° |
| C15 | C18 | C20 | H36 | 120.6° | 119.9° |
| C15 | C18 | C19 | H39 | 180.0° | 60.0° |
| C15 | C18 | C19 | H38 | 60.0° | 180.0° |
| C15 | C18 | C19 | H37 | 60.0° | 59.9° |
| C15 | C18 | C20 | H42 | 180.0° | 60.0° |
| C15 | C18 | C20 | H41 | 60.0° | 180.0° |
| C15 | C18 | C20 | H40 | 60.0° | 60.0° |
| C19 | C18 | C20 | H36 | 121.0° | 120.0° |
| C18 | C19 | H39 | H38 | 120.0° | 120.0° |
| C18 | C19 | H39 | H37 | 120.0° | 119.9° |
| C18 | C19 | H38 | H37 | 120.0° | 120.0° |
| C19 | C18 | C20 | H42 | 61.6° | 180.0° |
| C19 | C18 | C20 | H41 | 58.4° | 60.0° |
| C19 | C18 | C20 | H40 | 178.4° | 60.0° |
| C20 | C18 | C19 | H39 | 60.2° | 60.0° |
| C20 | C18 | C19 | H38 | 179.8° | 60.0° |
| C20 | C18 | C19 | H37 | 59.9° | 180.0° |
| C18 | C20 | H42 | H41 | 120.0° | 120.0° |
| C18 | C20 | H42 | H40 | 120.0° | 120.0° |
| C18 | C20 | H41 | H40 | 120.0° | 120.0° |
| H24 | C1 | C6 | H26 | 0.3° | 0.3° |
| H33 | C11 | C12 | H35 | 39.1° | 71.6° |
| H33 | C11 | C12 | H34 | 158.3° | 49.1° |
| H33 | C11 | C10 | H31 | 173.4° | 70.1° |
| H32 | C11 | C12 | H35 | 80.8° | 48.4° |
| H32 | C11 | C12 | H34 | 38.4° | 169.2° |
| H32 | C11 | C10 | H31 | 66.7° | 169.9° |
| H36 | C18 | C19 | H39 | 60.8° | 180.0° |
| H36 | C18 | C19 | H38 | 59.2° | 60.1° |
| H36 | C18 | C19 | H37 | 179.2° | 60.0° |
| H36 | C18 | C20 | H42 | 59.4° | 60.0° |
| H36 | C18 | C20 | H41 | 179.4° | 60.1° |
| H36 | C18 | C20 | H40 | 60.6° | 180.0° |
| H39 | C19 | H38 | H37 | 120.0° | 120.0° |
| H42 | C20 | H41 | H40 | 120.0° | 120.0° |
| H47 | C23 | H46 | H45 | 120.0° | 120.1° |
| H28 | C8 | C10 | H31 | 62.2° | 174.9° |
| H27 | C8 | C10 | H31 | 56.3° | 65.2° |
| H30 | C9 | C10 | H31 | 57.1° | 50.5° |
| H29 | C9 | C10 | H31 | 176.9° | 171.1° |
