D3E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C21 | sing | 1.40Å | 1.32Å | |
| C21 | F23 | sing | 1.40Å | 1.32Å | |
| C21 | F24 | sing | 1.40Å | 1.32Å | |
| C21 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | O22 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | O11 | doub | 1.22Å | 1.23Å | |
| C9 | N10 | sing | 1.35Å | 1.40Å | |
| N10 | C12 | sing | 1.46Å | 1.45Å | |
| N10 | C15 | sing | 1.47Å | 1.49Å | |
| C12 | C14 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.47Å | |
| C15 | C20 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C26 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C26 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | N28 | sing | 1.32Å | 1.34Å | Aromatic |
| N28 | C27 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C21 | F23 | 108.5° | 109.5° |
| F25 | C21 | F24 | 109.4° | 109.5° |
| F25 | C21 | C2 | 113.2° | 109.5° |
| F23 | C21 | F24 | 109.1° | 109.5° |
| F23 | C21 | C2 | 107.8° | 109.5° |
| F24 | C21 | C2 | 108.7° | 109.5° |
| C21 | C2 | C1 | 113.3° | 109.5° |
| C21 | C2 | O22 | 100.8° | 109.4° |
| C21 | C2 | C3 | 110.8° | 109.5° |
| C1 | C2 | O22 | 106.9° | 109.5° |
| C1 | C2 | C3 | 112.7° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| O22 | C2 | C3 | 111.8° | 109.5° |
| C2 | O22 | HO22 | 109.5° | 114.0° |
| C2 | C3 | C8 | 121.0° | 119.8° |
| C2 | C3 | C4 | 122.2° | 119.8° |
| C8 | C3 | C4 | 116.9° | 120.4° |
| C3 | C8 | C7 | 121.4° | 120.1° |
| C3 | C8 | H8 | 119.3° | 120.0° |
| C3 | C4 | C5 | 121.8° | 120.1° |
| C3 | C4 | H4 | 119.1° | 120.0° |
| C8 | C7 | C6 | 121.0° | 119.8° |
| C7 | C8 | H8 | 119.3° | 119.9° |
| C8 | C7 | H7 | 119.5° | 120.1° |
| C7 | C6 | C5 | 118.2° | 119.8° |
| C7 | C6 | C9 | 121.5° | 120.1° |
| C6 | C7 | H7 | 119.5° | 120.1° |
| C5 | C6 | C9 | 120.3° | 120.1° |
| C6 | C5 | C4 | 120.7° | 119.8° |
| C6 | C5 | H5 | 119.7° | 120.1° |
| C6 | C9 | O11 | 119.7° | 120.0° |
| C6 | C9 | N10 | 119.1° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C5 | C4 | H4 | 119.1° | 119.9° |
| O11 | C9 | N10 | 121.3° | 120.0° |
| C9 | N10 | C12 | 118.9° | 120.0° |
| C9 | N10 | C15 | 119.9° | 120.0° |
| C12 | N10 | C15 | 117.2° | 120.0° |
| N10 | C12 | C14 | 108.3° | 117.5° |
| N10 | C12 | C13 | 103.2° | 117.5° |
| N10 | C12 | H12 | 105.4° | 115.5° |
| N10 | C15 | C20 | 106.6° | 109.4° |
| N10 | C15 | C16 | 115.7° | 109.5° |
| N10 | C15 | H15 | 107.5° | 109.5° |
| C14 | C12 | C13 | 58.6° | 60.0° |
| C12 | C14 | C13 | 60.9° | 60.0° |
| C14 | C12 | H12 | 134.6° | 117.5° |
| C12 | C14 | H14 | 130.4° | 117.5° |
| C12 | C14 | H14A | 135.6° | 117.5° |
| C12 | C13 | C14 | 60.5° | 60.0° |
| C13 | C12 | H12 | 138.8° | 117.5° |
| C12 | C13 | H13 | 130.6° | 117.5° |
| C12 | C13 | H13A | 135.7° | 117.5° |
| C13 | C14 | H14 | 130.4° | 117.5° |
| C13 | C14 | H14A | 135.5° | 117.5° |
| C14 | C13 | H13 | 130.6° | 117.5° |
| C14 | C13 | H13A | 135.7° | 117.5° |
| C20 | C15 | C16 | 110.1° | 109.5° |
| C15 | C20 | C19 | 112.4° | 109.4° |
| C20 | C15 | H15 | 113.4° | 109.5° |
| C15 | C20 | H20 | 108.5° | 109.5° |
| C15 | C20 | H20A | 107.9° | 109.5° |
| C15 | C16 | C17 | 109.9° | 109.5° |
| C16 | C15 | H15 | 103.8° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.4° |
| C15 | C16 | H16A | 109.2° | 109.5° |
| C20 | C19 | C18 | 108.9° | 109.5° |
| C19 | C20 | H20 | 108.5° | 109.4° |
| C19 | C20 | H20A | 107.9° | 109.4° |
| C20 | C19 | H19 | 109.6° | 109.5° |
| C20 | C19 | H19A | 109.8° | 109.5° |
| C19 | C18 | C17 | 109.8° | 109.5° |
| C19 | C18 | C26 | 110.7° | 109.5° |
| C18 | C19 | H19 | 109.7° | 109.5° |
| C18 | C19 | H19A | 109.8° | 109.5° |
| C19 | C18 | H18 | 108.9° | 109.5° |
| C17 | C18 | C26 | 110.9° | 109.5° |
| C18 | C17 | C16 | 110.1° | 109.5° |
| C17 | C18 | H18 | 108.7° | 109.5° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C18 | C17 | H17A | 109.1° | 109.5° |
| C18 | C26 | C31 | 120.8° | 120.4° |
| C18 | C26 | C27 | 120.5° | 120.4° |
| C26 | C18 | H18 | 107.8° | 109.5° |
| C16 | C17 | H17 | 109.3° | 109.5° |
| C16 | C17 | H17A | 109.1° | 109.5° |
| C17 | C16 | H16 | 109.3° | 109.5° |
| C17 | C16 | H16A | 109.3° | 109.5° |
| C31 | C26 | C27 | 118.7° | 119.2° |
| C26 | C31 | C30 | 118.9° | 118.4° |
| C26 | C31 | H31 | 120.6° | 120.8° |
| C26 | C27 | N28 | 123.1° | 120.8° |
| C26 | C27 | H27 | 118.4° | 119.6° |
| C31 | C30 | C29 | 118.3° | 119.2° |
| C30 | C31 | H31 | 120.5° | 120.8° |
| C31 | C30 | H30 | 120.8° | 120.4° |
| C30 | C29 | N28 | 123.7° | 120.8° |
| C29 | C30 | H30 | 120.8° | 120.4° |
| C30 | C29 | H29 | 118.1° | 119.6° |
| C29 | N28 | C27 | 117.3° | 121.7° |
| N28 | C29 | H29 | 118.2° | 119.6° |
| N28 | C27 | H27 | 118.4° | 119.6° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| H14 | C14 | H14A | 75.4° | 115.6° |
| H13 | C13 | H13A | 75.1° | 115.5° |
| H20 | C20 | H20A | 111.8° | 109.5° |
| H19 | C19 | H19A | 109.0° | 109.5° |
| H17 | C17 | H17A | 110.0° | 109.5° |
| H16 | C16 | H16A | 109.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C21 | F23 | F24 | 119.2° | 120.0° |
| F25 | C21 | F23 | C2 | 122.9° | 120.0° |
| F25 | C21 | F24 | C2 | 124.1° | 120.0° |
| F25 | C21 | C2 | C1 | 71.2° | 54.9° |
| F25 | C21 | C2 | O22 | 175.0° | 174.9° |
| F25 | C21 | C2 | C3 | 56.6° | 65.1° |
| F23 | C21 | F24 | C2 | 117.4° | 120.0° |
| F23 | C21 | C2 | C1 | 168.8° | 65.1° |
| F23 | C21 | C2 | O22 | 55.0° | 54.9° |
| F23 | C21 | C2 | C3 | 63.4° | 174.9° |
| F24 | C21 | C2 | C1 | 50.7° | 174.9° |
| F24 | C21 | C2 | O22 | 63.2° | 65.1° |
| F24 | C21 | C2 | C3 | 178.4° | 54.8° |
| C21 | C2 | C1 | O22 | 110.1° | 120.0° |
| C21 | C2 | C1 | C3 | 126.8° | 120.0° |
| C21 | C2 | O22 | C3 | 117.7° | 120.0° |
| C21 | C2 | C3 | C8 | 77.3° | 65.2° |
| C21 | C2 | C3 | C4 | 102.4° | 115.1° |
| C21 | C2 | C1 | H1 | 33.0° | 60.0° |
| C21 | C2 | C1 | H1A | 87.0° | 180.0° |
| C21 | C2 | C1 | H1B | 153.0° | 60.0° |
| C21 | C2 | O22 | HO22 | 159.8° | 60.0° |
| C1 | C2 | O22 | C3 | 123.7° | 120.0° |
| C1 | C2 | C3 | C8 | 50.8° | 54.8° |
| C1 | C2 | C3 | C4 | 129.6° | 124.9° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | O22 | HO22 | 41.2° | 180.0° |
| O22 | C2 | C3 | C8 | 171.1° | 174.9° |
| O22 | C2 | C3 | C4 | 9.2° | 4.8° |
| O22 | C2 | C1 | H1 | 143.1° | 60.0° |
| O22 | C2 | C1 | H1A | 23.1° | 60.1° |
| O22 | C2 | C1 | H1B | 96.9° | 180.0° |
| C2 | C3 | C8 | C4 | 179.7° | 179.7° |
| C2 | C3 | C8 | C7 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 179.8° | 179.7° |
| C3 | C2 | C1 | H1 | 93.8° | 180.0° |
| C3 | C2 | C1 | H1A | 146.2° | 60.0° |
| C3 | C2 | C1 | H1B | 26.3° | 60.0° |
| C3 | C2 | O22 | HO22 | 82.5° | 60.0° |
| C2 | C3 | C8 | H8 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 0.2° | 0.1° |
| C3 | C8 | C7 | H8 | 180.0° | 180.0° |
| C3 | C8 | C7 | C6 | 0.4° | 0.0° |
| C8 | C3 | C4 | C5 | 0.2° | 0.5° |
| C3 | C8 | C7 | H7 | 179.6° | 180.0° |
| C8 | C3 | C4 | H4 | 179.8° | 179.8° |
| C4 | C3 | C8 | C7 | 0.3° | 0.2° |
| C3 | C4 | C5 | C6 | 0.2° | 0.5° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C4 | C3 | C8 | H8 | 179.8° | 179.7° |
| C3 | C4 | C5 | H5 | 179.8° | 179.8° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C8 | C7 | C6 | C9 | 179.9° | 180.0° |
| C7 | C6 | C5 | C9 | 179.5° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.2° |
| C7 | C6 | C9 | O11 | 70.4° | 28.5° |
| C7 | C6 | C9 | N10 | 110.2° | 151.6° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C6 | C5 | H5 | 179.7° | 179.9° |
| C6 | C5 | C4 | H5 | 180.0° | 179.7° |
| C5 | C6 | C9 | O11 | 109.1° | 151.5° |
| C5 | C6 | C9 | N10 | 70.3° | 28.4° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C6 | C5 | C4 | H4 | 179.8° | 179.8° |
| C9 | C6 | C5 | C4 | 179.8° | 179.8° |
| C6 | C9 | O11 | N10 | 179.4° | 180.0° |
| C6 | C9 | N10 | C12 | 116.1° | 139.8° |
| C6 | C9 | N10 | C15 | 40.9° | 40.3° |
| C9 | C6 | C7 | H7 | 0.1° | 0.0° |
| C9 | C6 | C5 | H5 | 0.2° | 0.1° |
| O11 | C9 | N10 | C12 | 63.3° | 40.3° |
| O11 | C9 | N10 | C15 | 139.7° | 139.7° |
| C9 | N10 | C12 | C15 | 157.6° | 180.0° |
| C9 | N10 | C12 | C14 | 53.2° | 59.4° |
| C9 | N10 | C12 | C13 | 114.1° | 9.2° |
| C9 | N10 | C15 | C20 | 139.3° | 86.7° |
| C9 | N10 | C15 | C16 | 97.9° | 33.3° |
| C9 | N10 | C12 | H12 | 95.9° | 154.9° |
| C9 | N10 | C15 | H15 | 17.5° | 153.3° |
| N10 | C12 | C14 | C13 | 94.6° | 107.5° |
| N10 | C12 | C14 | H12 | 136.0° | 145.0° |
| N10 | C12 | C13 | H12 | 132.9° | 145.0° |
| C12 | N10 | C15 | C20 | 18.0° | 93.4° |
| C12 | N10 | C15 | C16 | 104.8° | 146.7° |
| N10 | C12 | C14 | H14 | 25.4° | 0.0° |
| N10 | C12 | C14 | H14A | 138.7° | 145.0° |
| N10 | C12 | C13 | H13 | 136.4° | 145.0° |
| N10 | C12 | C13 | H13A | 23.1° | 0.0° |
| C12 | N10 | C15 | H15 | 139.9° | 26.6° |
| C15 | N10 | C12 | C14 | 149.3° | 120.5° |
| C15 | N10 | C12 | C13 | 88.3° | 170.9° |
| N10 | C15 | C20 | C16 | 126.2° | 120.0° |
| N10 | C15 | C20 | H15 | 118.0° | 120.0° |
| N10 | C15 | C16 | H15 | 117.4° | 120.0° |
| N10 | C15 | C20 | C19 | 178.3° | 180.0° |
| N10 | C15 | C16 | C17 | 176.3° | 180.0° |
| C15 | N10 | C12 | H12 | 61.6° | 25.2° |
| N10 | C15 | C20 | H20 | 61.7° | 60.0° |
| N10 | C15 | C20 | H20A | 59.5° | 60.0° |
| N10 | C15 | C16 | H16 | 63.7° | 60.0° |
| N10 | C15 | C16 | H16A | 56.5° | 60.0° |
| C14 | C12 | C13 | H12 | 123.5° | 107.5° |
| C12 | C14 | C13 | H14 | 120.0° | 107.5° |
| C12 | C14 | C13 | H14A | 126.8° | 107.5° |
| C12 | C14 | H14 | H14A | 138.3° | 145.7° |
| C14 | C12 | C13 | H13 | 120.0° | 107.5° |
| C14 | C12 | C13 | H13A | 126.7° | 107.6° |
| C12 | C13 | H13 | H13A | 138.4° | 145.6° |
| C13 | C14 | H14 | H14A | 138.3° | 145.7° |
| C14 | C13 | H13 | H13A | 138.4° | 145.7° |
| C20 | C15 | C16 | H15 | 121.6° | 120.0° |
| C15 | C20 | C19 | H20 | 120.0° | 120.0° |
| C15 | C20 | C19 | H20A | 118.8° | 120.0° |
| C15 | C20 | C19 | C18 | 57.3° | 60.0° |
| C20 | C15 | C16 | C17 | 55.4° | 60.1° |
| C15 | C20 | H20 | H20A | 118.8° | 120.1° |
| C15 | C20 | C19 | H19 | 177.3° | 180.0° |
| C15 | C20 | C19 | H19A | 62.9° | 60.0° |
| C20 | C15 | C16 | H16 | 175.4° | 179.9° |
| C20 | C15 | C16 | H16A | 64.4° | 60.0° |
| C16 | C15 | C20 | C19 | 55.5° | 60.0° |
| C15 | C16 | C17 | C18 | 59.2° | 60.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 119.8° | 120.0° |
| C16 | C15 | C20 | H20 | 64.5° | 59.9° |
| C16 | C15 | C20 | H20A | 174.2° | 180.0° |
| C15 | C16 | C17 | H17 | 179.2° | 180.0° |
| C15 | C16 | C17 | H17A | 60.5° | 60.0° |
| C15 | C16 | H16 | H16A | 119.9° | 120.0° |
| C20 | C19 | C18 | H19 | 120.0° | 120.0° |
| C20 | C19 | C18 | H19A | 120.2° | 120.0° |
| C20 | C19 | C18 | C17 | 59.6° | 60.0° |
| C20 | C19 | C18 | C26 | 177.6° | 180.0° |
| C19 | C20 | C15 | H15 | 60.2° | 60.0° |
| C19 | C20 | H20 | H20A | 118.8° | 119.9° |
| C20 | C19 | H19 | H19A | 120.2° | 120.0° |
| C20 | C19 | C18 | H18 | 59.3° | 60.0° |
| C19 | C18 | C17 | C26 | 122.6° | 120.0° |
| C19 | C18 | C17 | H18 | 119.0° | 120.0° |
| C19 | C18 | C26 | H18 | 119.0° | 120.0° |
| C19 | C18 | C17 | C16 | 61.7° | 60.0° |
| C19 | C18 | C26 | C31 | 39.3° | 120.0° |
| C19 | C18 | C26 | C27 | 141.8° | 59.8° |
| C18 | C19 | C20 | H20 | 62.8° | 60.0° |
| C18 | C19 | C20 | H20A | 176.0° | 180.0° |
| C18 | C19 | H19 | H19A | 120.2° | 120.0° |
| C19 | C18 | C17 | H17 | 178.3° | 180.0° |
| C19 | C18 | C17 | H17A | 58.0° | 60.0° |
| C17 | C18 | C26 | H18 | 118.8° | 120.0° |
| C18 | C17 | C16 | H17 | 120.0° | 120.0° |
| C18 | C17 | C16 | H17A | 119.7° | 120.0° |
| C17 | C18 | C26 | C31 | 82.8° | 120.0° |
| C17 | C18 | C26 | C27 | 96.1° | 60.3° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C17 | C18 | C19 | H19A | 60.6° | 60.0° |
| C18 | C17 | H17 | H17A | 119.8° | 120.0° |
| C18 | C17 | C16 | H16 | 179.2° | 180.0° |
| C18 | C17 | C16 | H16A | 60.6° | 60.0° |
| C26 | C18 | C17 | C16 | 175.6° | 180.0° |
| C18 | C26 | C31 | C27 | 178.9° | 179.8° |
| C18 | C26 | C31 | C30 | 179.6° | 180.0° |
| C18 | C26 | C27 | N28 | 179.6° | 179.7° |
| C26 | C18 | C19 | H19 | 57.6° | 60.0° |
| C26 | C18 | C19 | H19A | 62.2° | 60.0° |
| C26 | C18 | C17 | H17 | 55.6° | 60.0° |
| C26 | C18 | C17 | H17A | 64.6° | 60.0° |
| C18 | C26 | C31 | H31 | 0.4° | 0.0° |
| C18 | C26 | C27 | H27 | 0.4° | 0.0° |
| C17 | C16 | C15 | H15 | 66.2° | 60.0° |
| C16 | C17 | C18 | H18 | 57.3° | 60.0° |
| C16 | C17 | H17 | H17A | 119.8° | 120.0° |
| C17 | C16 | H16 | H16A | 119.8° | 120.0° |
| C26 | C31 | C30 | H31 | 180.0° | 180.0° |
| C26 | C31 | C30 | C29 | 0.5° | 0.0° |
| C31 | C26 | C27 | N28 | 0.7° | 0.5° |
| C31 | C26 | C18 | H18 | 158.3° | 0.0° |
| C26 | C31 | C30 | H30 | 179.6° | 180.0° |
| C31 | C26 | C27 | H27 | 179.3° | 179.8° |
| C27 | C26 | C31 | C30 | 0.7° | 0.2° |
| C26 | C27 | N28 | C29 | 0.4° | 0.6° |
| C26 | C27 | N28 | H27 | 180.0° | 179.7° |
| C27 | C26 | C18 | H18 | 22.8° | 179.7° |
| C27 | C26 | C31 | H31 | 179.3° | 179.8° |
| C31 | C30 | C29 | H30 | 180.0° | 179.9° |
| C31 | C30 | C29 | N28 | 0.2° | 0.0° |
| C31 | C30 | C29 | H29 | 179.9° | 179.9° |
| C30 | C29 | N28 | H29 | 180.0° | 179.9° |
| C30 | C29 | N28 | C27 | 0.1° | 0.4° |
| C29 | C30 | C31 | H31 | 179.6° | 180.0° |
| N28 | C29 | C30 | H30 | 179.8° | 179.9° |
| C29 | N28 | C27 | H27 | 179.6° | 179.7° |
| C27 | N28 | C29 | H29 | 179.9° | 179.7° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H8 | C8 | C7 | H7 | 0.4° | 0.1° |
| H5 | C5 | C4 | H4 | 0.2° | 0.1° |
| H12 | C12 | C14 | H14 | 110.6° | 145.0° |
| H12 | C12 | C14 | H14A | 2.7° | 0.0° |
| H12 | C12 | C13 | H13 | 3.4° | 0.0° |
| H12 | C12 | C13 | H13A | 109.8° | 145.0° |
| H14 | C14 | C13 | H13 | 119.9° | 145.0° |
| H14 | C14 | C13 | H13A | 6.7° | 0.0° |
| H14A | C14 | C13 | H13 | 6.8° | 0.0° |
| H14A | C14 | C13 | H13A | 106.5° | 145.1° |
| H15 | C15 | C20 | H20 | 179.8° | 180.0° |
| H15 | C15 | C20 | H20A | 58.5° | 60.0° |
| H15 | C15 | C16 | H16 | 53.7° | 60.0° |
| H15 | C15 | C16 | H16A | 173.9° | 180.0° |
| H20 | C20 | C19 | H19 | 57.3° | 60.0° |
| H20 | C20 | C19 | H19A | 177.0° | 180.0° |
| H20A | C20 | C19 | H19 | 64.0° | 60.0° |
| H20A | C20 | C19 | H19A | 55.8° | 60.0° |
| H19 | C19 | C18 | H18 | 60.7° | 60.0° |
| H19A | C19 | C18 | H18 | 179.5° | 180.0° |
| H18 | C18 | C17 | H17 | 62.7° | 60.0° |
| H18 | C18 | C17 | H17A | 177.1° | 180.0° |
| H17 | C17 | C16 | H16 | 60.8° | 60.0° |
| H17 | C17 | C16 | H16A | 59.4° | 60.0° |
| H17A | C17 | C16 | H16 | 59.5° | 60.0° |
| H17A | C17 | C16 | H16A | 179.7° | 180.0° |
| H31 | C31 | C30 | H30 | 0.4° | 0.1° |
| H30 | C30 | C29 | H29 | 0.1° | 0.0° |
