A1BWW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.35Å | 1.35Å | |
| C3 | N4 | doub | 1.33Å | 1.33Å | Aromatic |
| C3 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.32Å | Aromatic |
| C5 | N6 | doub | 1.32Å | 1.32Å | Aromatic |
| N6 | C7 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.48Å | 1.48Å | |
| C12 | N13 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | N37 | doub | 1.32Å | 1.32Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.32Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C36 | doub | 1.41Å | 1.41Å | Aromatic |
| N16 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C36 | sing | 1.46Å | 1.46Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C26 | sing | 1.48Å | 1.48Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | N27 | doub | 1.31Å | 1.31Å | Aromatic |
| C26 | N30 | sing | 1.36Å | 1.37Å | Aromatic |
| N27 | C28 | sing | 1.34Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.35Å | 1.35Å | Aromatic |
| C28 | C32 | sing | 1.51Å | 1.51Å | |
| C29 | N30 | sing | 1.37Å | 1.37Å | Aromatic |
| N30 | C31 | sing | 1.46Å | 1.47Å | |
| C32 | F33 | sing | 1.40Å | 1.40Å | |
| C32 | F34 | sing | 1.40Å | 1.40Å | |
| C32 | F35 | sing | 1.40Å | 1.40Å | |
| C36 | N37 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | H41 | sing | 1.08Å | 1.08Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| C10 | H45 | sing | 1.09Å | 1.10Å | |
| C17 | H49 | sing | 1.08Å | 1.08Å | |
| C21 | H52 | sing | 1.08Å | 1.08Å | |
| C22 | H53 | sing | 1.08Å | 1.08Å | |
| C24 | H54 | sing | 1.08Å | 1.08Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.08Å | 1.08Å | |
| C19 | H51 | sing | 1.09Å | 1.10Å | |
| C19 | H50 | sing | 1.09Å | 1.10Å | |
| C25 | H55 | sing | 1.08Å | 1.08Å | |
| C29 | H56 | sing | 1.08Å | 1.08Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| N16 | H48 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 117.3° | 117.0° |
| O2 | C1 | H40 | 109.5° | 109.4° |
| O2 | C1 | H39 | 109.5° | 109.4° |
| O2 | C1 | H38 | 109.4° | 109.4° |
| O2 | C3 | N4 | 120.9° | 120.6° |
| O2 | C3 | C11 | 119.7° | 120.6° |
| N4 | C3 | C11 | 119.3° | 118.8° |
| C3 | N4 | C5 | 120.6° | 120.9° |
| C3 | C11 | C7 | 117.9° | 118.1° |
| C3 | C11 | C12 | 118.8° | 121.0° |
| N4 | C5 | N6 | 122.0° | 122.1° |
| N4 | C5 | H41 | 119.0° | 119.0° |
| C5 | N6 | C7 | 121.5° | 121.1° |
| N6 | C5 | H41 | 119.0° | 118.9° |
| N6 | C7 | C8 | 119.5° | 120.5° |
| N6 | C7 | C11 | 118.7° | 119.0° |
| C8 | C7 | C11 | 121.8° | 120.5° |
| C7 | C8 | C9 | 117.6° | 117.5° |
| C7 | C8 | C10 | 117.3° | 117.5° |
| C7 | C8 | H42 | 116.9° | 115.6° |
| C7 | C11 | C12 | 123.4° | 120.9° |
| C9 | C8 | C10 | 59.9° | 60.0° |
| C8 | C9 | C10 | 60.1° | 60.0° |
| C9 | C8 | H42 | 116.5° | 117.5° |
| C8 | C9 | H43 | 120.0° | 117.5° |
| C8 | C9 | H44 | 120.0° | 117.5° |
| C8 | C10 | C9 | 60.0° | 60.0° |
| C10 | C8 | H42 | 116.4° | 117.5° |
| C8 | C10 | H46 | 120.0° | 117.5° |
| C8 | C10 | H45 | 120.0° | 117.5° |
| C9 | C10 | H46 | 120.0° | 117.5° |
| C9 | C10 | H45 | 120.0° | 117.6° |
| C10 | C9 | H43 | 120.0° | 117.5° |
| C10 | C9 | H44 | 120.0° | 117.5° |
| C11 | C12 | N13 | 120.0° | 119.0° |
| C11 | C12 | N37 | 118.2° | 119.0° |
| N13 | C12 | N37 | 121.8° | 122.0° |
| C12 | N13 | C14 | 121.5° | 121.4° |
| C12 | N37 | C36 | 120.4° | 120.2° |
| N13 | C14 | C15 | 118.9° | 118.9° |
| N13 | C14 | H47 | 120.5° | 120.6° |
| C14 | C15 | N16 | 134.6° | 134.5° |
| C14 | C15 | C36 | 118.2° | 118.3° |
| C15 | C14 | H47 | 120.6° | 120.6° |
| N16 | C15 | C36 | 107.2° | 107.2° |
| C15 | N16 | C17 | 109.8° | 109.8° |
| C15 | N16 | H48 | 125.1° | 125.1° |
| C15 | C36 | C18 | 106.0° | 105.9° |
| C15 | C36 | N37 | 119.2° | 119.2° |
| N16 | C17 | C18 | 110.1° | 110.1° |
| N16 | C17 | H49 | 124.9° | 125.0° |
| C17 | N16 | H48 | 125.1° | 125.2° |
| C17 | C18 | C19 | 126.4° | 126.5° |
| C17 | C18 | C36 | 106.9° | 107.0° |
| C18 | C17 | H49 | 124.9° | 125.0° |
| C19 | C18 | C36 | 126.7° | 126.5° |
| C18 | C19 | C20 | 109.6° | 109.5° |
| C18 | C19 | H51 | 109.4° | 109.5° |
| C18 | C19 | H50 | 109.4° | 109.5° |
| C18 | C36 | N37 | 134.8° | 134.9° |
| C19 | C20 | C21 | 120.0° | 119.8° |
| C19 | C20 | C25 | 119.9° | 119.9° |
| C20 | C19 | H51 | 109.4° | 109.4° |
| C20 | C19 | H50 | 109.4° | 109.5° |
| C21 | C20 | C25 | 120.0° | 120.3° |
| C20 | C21 | C22 | 120.2° | 120.1° |
| C20 | C21 | H52 | 119.9° | 120.0° |
| C20 | C25 | C24 | 120.3° | 120.1° |
| C20 | C25 | H55 | 119.9° | 119.9° |
| C21 | C22 | C23 | 120.0° | 119.9° |
| C22 | C21 | H52 | 119.9° | 119.9° |
| C21 | C22 | H53 | 120.0° | 120.0° |
| C22 | C23 | C24 | 119.4° | 119.7° |
| C22 | C23 | C26 | 121.1° | 120.1° |
| C23 | C22 | H53 | 120.0° | 120.1° |
| C24 | C23 | C26 | 119.5° | 120.2° |
| C23 | C24 | C25 | 120.1° | 119.9° |
| C23 | C24 | H54 | 120.0° | 120.1° |
| C23 | C26 | N27 | 124.9° | 125.8° |
| C23 | C26 | N30 | 127.1° | 125.9° |
| C25 | C24 | H54 | 120.0° | 120.1° |
| C24 | C25 | H55 | 119.9° | 119.9° |
| N27 | C26 | N30 | 108.0° | 108.3° |
| C26 | N27 | C28 | 109.6° | 109.2° |
| C26 | N30 | C29 | 107.0° | 107.0° |
| C26 | N30 | C31 | 127.4° | 126.5° |
| N27 | C28 | C29 | 108.2° | 108.4° |
| N27 | C28 | C32 | 125.9° | 125.8° |
| C29 | C28 | C32 | 125.9° | 125.8° |
| C28 | C29 | N30 | 107.2° | 107.1° |
| C28 | C29 | H56 | 126.4° | 126.5° |
| C28 | C32 | F33 | 109.5° | 109.5° |
| C28 | C32 | F34 | 109.4° | 109.5° |
| C28 | C32 | F35 | 109.7° | 109.5° |
| C29 | N30 | C31 | 125.6° | 126.5° |
| N30 | C29 | H56 | 126.4° | 126.5° |
| N30 | C31 | H58 | 109.5° | 109.5° |
| N30 | C31 | H59 | 109.5° | 109.5° |
| N30 | C31 | H57 | 109.5° | 109.5° |
| F33 | C32 | F34 | 109.3° | 109.4° |
| F33 | C32 | F35 | 109.5° | 109.4° |
| F34 | C32 | F35 | 109.5° | 109.5° |
| H46 | C10 | H45 | 109.5° | 115.5° |
| H40 | C1 | H39 | 109.5° | 109.5° |
| H40 | C1 | H38 | 109.5° | 109.5° |
| H39 | C1 | H38 | 109.5° | 109.5° |
| H51 | C19 | H50 | 109.5° | 109.5° |
| H58 | C31 | H59 | 109.5° | 109.4° |
| H58 | C31 | H57 | 109.4° | 109.5° |
| H59 | C31 | H57 | 109.4° | 109.5° |
| H43 | C9 | H44 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | N4 | 2.4° | 0.0° |
| C1 | O2 | C3 | C11 | 177.4° | 179.4° |
| O2 | C1 | H40 | H39 | 120.0° | 120.0° |
| O2 | C1 | H40 | H38 | 120.0° | 120.0° |
| O2 | C1 | H39 | H38 | 119.9° | 119.9° |
| O2 | C3 | N4 | C11 | 179.8° | 179.4° |
| O2 | C3 | N4 | C5 | 179.9° | 180.0° |
| O2 | C3 | C11 | C7 | 179.9° | 179.8° |
| O2 | C3 | C11 | C12 | 0.2° | 0.3° |
| C3 | O2 | C1 | H40 | 180.0° | 60.0° |
| C3 | O2 | C1 | H39 | 60.0° | 60.0° |
| C3 | O2 | C1 | H38 | 60.0° | 180.0° |
| C3 | N4 | C5 | N6 | 0.0° | 0.0° |
| N4 | C3 | C11 | C7 | 0.3° | 0.8° |
| N4 | C3 | C11 | C12 | 180.0° | 179.7° |
| C3 | N4 | C5 | H41 | 180.0° | 179.7° |
| C11 | C3 | N4 | C5 | 0.1° | 0.5° |
| C3 | C11 | C7 | N6 | 0.3° | 0.5° |
| C3 | C11 | C7 | C8 | 179.9° | 179.5° |
| C3 | C11 | C7 | C12 | 179.7° | 179.5° |
| C3 | C11 | C12 | N13 | 118.1° | 130.7° |
| C3 | C11 | C12 | N37 | 60.3° | 49.7° |
| N4 | C5 | N6 | H41 | 180.0° | 179.7° |
| N4 | C5 | N6 | C7 | 0.1° | 0.3° |
| C5 | N6 | C7 | C8 | 179.8° | 179.9° |
| C5 | N6 | C7 | C11 | 0.2° | 0.0° |
| N6 | C7 | C8 | C11 | 179.6° | 180.0° |
| N6 | C7 | C8 | C9 | 4.1° | 65.8° |
| N6 | C7 | C8 | C10 | 64.4° | 2.8° |
| N6 | C7 | C11 | C12 | 180.0° | 180.0° |
| C7 | N6 | C5 | H41 | 179.9° | 180.0° |
| N6 | C7 | C8 | H42 | 150.2° | 148.5° |
| C7 | C8 | C9 | C10 | 107.2° | 107.5° |
| C7 | C8 | C9 | H42 | 146.2° | 145.0° |
| C7 | C8 | C10 | H42 | 145.6° | 145.1° |
| C8 | C7 | C11 | C12 | 0.3° | 0.0° |
| C7 | C8 | C10 | H46 | 1.7° | 0.0° |
| C7 | C8 | C10 | H45 | 142.8° | 145.0° |
| C7 | C8 | C9 | H43 | 143.3° | 145.0° |
| C7 | C8 | C9 | H44 | 2.3° | 0.0° |
| C11 | C7 | C8 | C9 | 176.2° | 114.2° |
| C11 | C7 | C8 | C10 | 115.2° | 177.2° |
| C7 | C11 | C12 | N13 | 62.2° | 48.8° |
| C7 | C11 | C12 | N37 | 119.4° | 130.9° |
| C11 | C7 | C8 | H42 | 30.2° | 31.5° |
| C9 | C8 | C10 | H42 | 106.7° | 107.5° |
| C8 | C9 | C10 | H43 | 109.5° | 107.5° |
| C8 | C9 | C10 | H44 | 109.5° | 107.5° |
| C9 | C8 | C10 | H46 | 109.5° | 107.5° |
| C9 | C8 | C10 | H45 | 109.5° | 107.6° |
| C8 | C9 | H43 | H44 | 144.7° | 145.6° |
| C8 | C10 | H46 | H45 | 144.7° | 145.7° |
| C9 | C10 | H46 | H45 | 144.7° | 145.7° |
| C10 | C9 | H43 | H44 | 144.7° | 145.8° |
| C11 | C12 | N13 | N37 | 178.3° | 179.6° |
| C11 | C12 | N13 | C14 | 179.7° | 180.0° |
| C11 | C12 | N37 | C36 | 179.5° | 180.0° |
| C12 | N13 | C14 | C15 | 0.9° | 0.1° |
| N13 | C12 | N37 | C36 | 1.1° | 0.4° |
| C12 | N13 | C14 | H47 | 179.1° | 180.0° |
| N37 | C12 | N13 | C14 | 1.4° | 0.3° |
| C12 | N37 | C36 | C15 | 0.4° | 0.1° |
| C12 | N37 | C36 | C18 | 179.6° | 179.8° |
| N13 | C14 | C15 | H47 | 180.0° | 180.0° |
| N13 | C14 | C15 | N16 | 179.8° | 180.0° |
| N13 | C14 | C15 | C36 | 0.2° | 0.4° |
| C14 | C15 | N16 | C36 | 180.0° | 179.7° |
| C14 | C15 | N16 | C17 | 180.0° | 179.7° |
| C14 | C15 | C36 | C18 | 180.0° | 179.8° |
| C14 | C15 | C36 | N37 | 0.0° | 0.3° |
| C14 | C15 | N16 | H48 | 0.0° | 0.3° |
| C15 | N16 | C17 | H48 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 0.0° | 0.0° |
| N16 | C15 | C36 | C18 | 0.0° | 0.1° |
| N16 | C15 | C36 | N37 | 180.0° | 180.0° |
| C15 | N16 | C17 | H49 | 180.0° | 179.9° |
| N16 | C15 | C14 | H47 | 0.2° | 0.0° |
| C36 | C15 | N16 | C17 | 0.0° | 0.0° |
| C15 | C36 | C18 | C17 | 0.0° | 0.1° |
| C15 | C36 | C18 | C19 | 179.8° | 180.0° |
| C15 | C36 | C18 | N37 | 180.0° | 179.9° |
| C36 | C15 | C14 | H47 | 179.8° | 179.6° |
| C36 | C15 | N16 | H48 | 180.0° | 180.0° |
| N16 | C17 | C18 | H49 | 180.0° | 179.9° |
| N16 | C17 | C18 | C19 | 179.9° | 180.0° |
| N16 | C17 | C18 | C36 | 0.0° | 0.1° |
| C17 | C18 | C19 | C36 | 179.9° | 179.9° |
| C17 | C18 | C19 | C20 | 91.5° | 95.1° |
| C17 | C18 | C36 | N37 | 180.0° | 180.0° |
| C17 | C18 | C19 | H51 | 148.5° | 144.9° |
| C17 | C18 | C19 | H50 | 28.5° | 24.9° |
| C18 | C17 | N16 | H48 | 180.0° | 180.0° |
| C18 | C19 | C20 | H51 | 120.0° | 120.0° |
| C18 | C19 | C20 | H50 | 120.0° | 120.0° |
| C18 | C19 | C20 | C21 | 133.9° | 90.0° |
| C18 | C19 | C20 | C25 | 46.3° | 89.7° |
| C19 | C18 | C36 | N37 | 0.1° | 0.1° |
| C19 | C18 | C17 | H49 | 0.2° | 0.1° |
| C18 | C19 | H51 | H50 | 119.9° | 120.1° |
| C36 | C18 | C19 | C20 | 88.4° | 85.0° |
| C36 | C18 | C17 | H49 | 180.0° | 180.0° |
| C36 | C18 | C19 | H51 | 31.6° | 34.9° |
| C36 | C18 | C19 | H50 | 151.6° | 155.0° |
| C19 | C20 | C21 | C25 | 179.8° | 179.7° |
| C19 | C20 | C21 | C22 | 179.9° | 179.7° |
| C19 | C20 | C25 | C24 | 180.0° | 179.7° |
| C19 | C20 | C21 | H52 | 0.1° | 0.2° |
| C20 | C19 | H51 | H50 | 119.9° | 120.0° |
| C19 | C20 | C25 | H55 | 0.0° | 0.4° |
| C20 | C21 | C22 | H52 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.0° |
| C20 | C21 | C22 | H53 | 179.9° | 179.9° |
| C21 | C20 | C19 | H51 | 106.1° | 150.0° |
| C21 | C20 | C19 | H50 | 13.9° | 30.0° |
| C21 | C20 | C25 | H55 | 179.9° | 179.9° |
| C25 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C25 | C24 | C23 | 0.0° | 0.1° |
| C20 | C25 | C24 | H55 | 180.0° | 179.9° |
| C25 | C20 | C21 | H52 | 179.9° | 179.9° |
| C20 | C25 | C24 | H54 | 180.0° | 180.0° |
| C25 | C20 | C19 | H51 | 73.7° | 30.3° |
| C25 | C20 | C19 | H50 | 166.3° | 150.3° |
| C21 | C22 | C23 | H53 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | C26 | 179.9° | 180.0° |
| C22 | C23 | C24 | C26 | 179.7° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C26 | N27 | 120.4° | 161.1° |
| C22 | C23 | C26 | N30 | 60.3° | 19.3° |
| C23 | C22 | C21 | H52 | 179.9° | 180.0° |
| C22 | C23 | C24 | H54 | 179.8° | 180.0° |
| C23 | C24 | C25 | H54 | 180.0° | 180.0° |
| C24 | C23 | C26 | N27 | 59.3° | 19.0° |
| C24 | C23 | C26 | N30 | 119.9° | 160.7° |
| C24 | C23 | C22 | H53 | 179.8° | 180.0° |
| C23 | C24 | C25 | H55 | 180.0° | 179.9° |
| C26 | C23 | C24 | C25 | 179.9° | 179.9° |
| C23 | C26 | N27 | N30 | 179.4° | 179.7° |
| C23 | C26 | N27 | C28 | 179.7° | 179.7° |
| C23 | C26 | N30 | C29 | 179.7° | 179.7° |
| C23 | C26 | N30 | C31 | 0.5° | 0.3° |
| C26 | C23 | C22 | H53 | 0.1° | 0.0° |
| C26 | C23 | C24 | H54 | 0.1° | 0.0° |
| C26 | N27 | C28 | C29 | 0.2° | 0.1° |
| C26 | N27 | C28 | C32 | 179.8° | 180.0° |
| N27 | C26 | N30 | C29 | 0.3° | 0.0° |
| N27 | C26 | N30 | C31 | 179.9° | 180.0° |
| N30 | C26 | N27 | C28 | 0.3° | 0.0° |
| C26 | N30 | C29 | C28 | 0.2° | 0.0° |
| C26 | N30 | C29 | C31 | 179.8° | 180.0° |
| C26 | N30 | C29 | H56 | 179.8° | 179.9° |
| C26 | N30 | C31 | H58 | 180.0° | 85.1° |
| C26 | N30 | C31 | H59 | 60.0° | 154.9° |
| C26 | N30 | C31 | H57 | 60.0° | 34.9° |
| N27 | C28 | C29 | C32 | 180.0° | 179.9° |
| N27 | C28 | C29 | N30 | 0.0° | 0.0° |
| N27 | C28 | C32 | F33 | 25.3° | 90.0° |
| N27 | C28 | C32 | F34 | 145.1° | 29.9° |
| N27 | C28 | C32 | F35 | 94.9° | 150.0° |
| N27 | C28 | C29 | H56 | 179.9° | 180.0° |
| C28 | C29 | N30 | H56 | 180.0° | 179.9° |
| C28 | C29 | N30 | C31 | 180.0° | 180.0° |
| C29 | C28 | C32 | F33 | 154.7° | 90.0° |
| C29 | C28 | C32 | F34 | 34.9° | 150.0° |
| C29 | C28 | C32 | F35 | 85.1° | 29.9° |
| C32 | C28 | C29 | N30 | 180.0° | 180.0° |
| C28 | C32 | F33 | F34 | 119.8° | 120.0° |
| C28 | C32 | F33 | F35 | 120.3° | 120.0° |
| C28 | C32 | F34 | F35 | 120.2° | 120.1° |
| C32 | C28 | C29 | H56 | 0.0° | 0.1° |
| C29 | N30 | C31 | H58 | 0.3° | 94.9° |
| C29 | N30 | C31 | H59 | 119.8° | 25.0° |
| C29 | N30 | C31 | H57 | 120.2° | 145.1° |
| C31 | N30 | C29 | H56 | 0.1° | 0.1° |
| N30 | C31 | H58 | H59 | 120.0° | 120.0° |
| N30 | C31 | H58 | H57 | 120.0° | 120.0° |
| N30 | C31 | H59 | H57 | 120.0° | 120.0° |
| F33 | C32 | F34 | F35 | 120.0° | 119.9° |
| H42 | C8 | C10 | H46 | 143.8° | 145.0° |
| H42 | C8 | C10 | H45 | 2.8° | 0.1° |
| H42 | C8 | C9 | H43 | 2.8° | 0.0° |
| H42 | C8 | C9 | H44 | 143.9° | 145.0° |
| H46 | C10 | C9 | H43 | 141.0° | 145.1° |
| H46 | C10 | C9 | H44 | 0.0° | 0.0° |
| H45 | C10 | C9 | H43 | 0.0° | 0.0° |
| H45 | C10 | C9 | H44 | 141.0° | 145.0° |
| H49 | C17 | N16 | H48 | 0.0° | 0.0° |
| H52 | C21 | C22 | H53 | 0.1° | 0.0° |
| H54 | C24 | C25 | H55 | 0.0° | 0.1° |
| H40 | C1 | H39 | H38 | 120.0° | 120.1° |
| H58 | C31 | H59 | H57 | 119.9° | 120.0° |
