3AF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | N6 | sing | 1.47Å | 1.46Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H44 | sing | 1.09Å | 1.10Å | |
| N6 | C7 | sing | 1.47Å | 1.34Å | |
| N6 | H45 | sing | 1.01Å | 1.00Å | |
| C7 | N8 | sing | 1.47Å | 1.33Å | |
| C7 | C9 | sing | 1.51Å | 1.37Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N8 | H47 | sing | 1.01Å | 1.00Å | |
| N8 | H46 | sing | 1.01Å | 1.00Å | |
| C9 | C12 | sing | 1.38Å | 1.45Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H50 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.40Å | 1.44Å | Aromatic |
| C13 | H51 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | H48 | sing | 1.08Å | 1.08Å | |
| C11 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | H49 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.48Å | 1.38Å | Aromatic |
| C15 | O18 | sing | 1.35Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.44Å | Aromatic |
| O18 | C19 | sing | 1.35Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | H52 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.36Å | 1.44Å | Aromatic |
| C17 | H53 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.48Å | 1.38Å | Aromatic |
| C20 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | H56 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.45Å | Aromatic |
| C24 | H57 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | H54 | sing | 1.08Å | 1.08Å | |
| C22 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C22 | H55 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.51Å | 1.37Å | |
| C26 | N27 | sing | 1.47Å | 1.33Å | |
| C26 | N28 | sing | 1.47Å | 1.34Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| N27 | H59 | sing | 1.01Å | 1.00Å | |
| N27 | H58 | sing | 1.01Å | 1.00Å | |
| N28 | C29 | sing | 1.47Å | 1.46Å | |
| N28 | H60 | sing | 1.01Å | 1.00Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C29 | H61 | sing | 1.09Å | 1.10Å | |
| C30 | H63 | sing | 1.09Å | 1.10Å | |
| C30 | H62 | sing | 1.09Å | 1.10Å | |
| C30 | H64 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | H66 | sing | 1.09Å | 1.10Å | |
| C31 | H65 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H68 | sing | 1.09Å | 1.10Å | |
| C32 | H67 | sing | 1.09Å | 1.10Å | |
| C33 | H71 | sing | 1.09Å | 1.10Å | |
| C33 | H69 | sing | 1.09Å | 1.10Å | |
| C33 | H70 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H34 | 109.5° | 109.5° |
| C2 | C1 | H35 | 109.4° | 109.4° |
| C2 | C1 | H36 | 109.5° | 109.4° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C1 | C2 | H37 | 108.7° | 109.4° |
| C1 | C2 | H38 | 109.0° | 109.5° |
| H34 | C1 | H35 | 109.5° | 109.5° |
| H34 | C1 | H36 | 109.4° | 109.5° |
| H35 | C1 | H36 | 109.4° | 109.5° |
| C3 | C2 | H37 | 108.7° | 109.5° |
| C3 | C2 | H38 | 109.0° | 109.5° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C2 | C3 | H40 | 108.3° | 109.5° |
| C2 | C3 | H39 | 107.5° | 109.5° |
| H37 | C2 | H38 | 110.6° | 109.5° |
| C4 | C3 | H40 | 108.4° | 109.5° |
| C4 | C3 | H39 | 107.5° | 109.5° |
| C3 | C4 | C5 | 112.3° | 109.4° |
| C3 | C4 | N6 | 108.7° | 109.4° |
| C3 | C4 | H41 | 107.6° | 109.5° |
| H40 | C3 | H39 | 112.2° | 109.4° |
| C5 | C4 | N6 | 108.1° | 109.5° |
| C5 | C4 | H41 | 108.3° | 109.4° |
| C4 | C5 | H43 | 109.5° | 109.4° |
| C4 | C5 | H42 | 109.5° | 109.5° |
| C4 | C5 | H44 | 109.5° | 109.5° |
| N6 | C4 | H41 | 111.8° | 109.5° |
| C4 | N6 | C7 | 124.7° | 106.7° |
| C4 | N6 | H45 | 104.7° | 106.7° |
| H43 | C5 | H42 | 109.5° | 109.5° |
| H43 | C5 | H44 | 109.4° | 109.5° |
| H42 | C5 | H44 | 109.4° | 109.4° |
| C7 | N6 | H45 | 104.7° | 106.7° |
| N6 | C7 | N8 | 108.9° | 109.4° |
| N6 | C7 | C9 | 126.8° | 109.5° |
| N6 | C7 | H7 | 117.8° | 109.5° |
| N8 | C7 | C9 | 124.3° | 109.5° |
| N8 | C7 | H7 | 132.8° | 109.4° |
| C7 | N8 | H47 | 109.5° | 106.7° |
| C7 | N8 | H46 | 109.4° | 106.7° |
| C9 | C7 | H7 | 11.9° | 109.5° |
| C7 | C9 | C12 | 123.0° | 119.8° |
| C7 | C9 | C10 | 120.4° | 119.8° |
| H47 | N8 | H46 | 109.5° | 106.7° |
| C12 | C9 | C10 | 116.6° | 120.3° |
| C9 | C12 | C13 | 121.7° | 120.2° |
| C9 | C12 | H50 | 119.2° | 119.9° |
| C9 | C10 | C11 | 122.3° | 120.1° |
| C9 | C10 | H48 | 118.9° | 120.0° |
| C13 | C12 | H50 | 119.2° | 119.9° |
| C12 | C13 | C14 | 119.6° | 119.8° |
| C12 | C13 | H51 | 120.2° | 120.1° |
| C14 | C13 | H51 | 120.2° | 120.1° |
| C13 | C14 | C11 | 119.7° | 119.7° |
| C13 | C14 | C15 | 123.3° | 120.2° |
| C11 | C10 | H48 | 118.8° | 119.9° |
| C10 | C11 | C14 | 119.7° | 119.9° |
| C10 | C11 | H49 | 120.1° | 120.1° |
| C14 | C11 | H49 | 120.2° | 120.0° |
| C11 | C14 | C15 | 116.9° | 120.2° |
| C14 | C15 | O18 | 124.2° | 125.8° |
| C14 | C15 | C16 | 125.0° | 125.8° |
| O18 | C15 | C16 | 110.3° | 108.4° |
| C15 | O18 | C19 | 107.1° | 109.3° |
| C15 | C16 | C17 | 106.1° | 106.9° |
| C15 | C16 | H52 | 127.0° | 126.5° |
| O18 | C19 | C17 | 110.3° | 108.4° |
| O18 | C19 | C20 | 124.3° | 125.8° |
| C17 | C16 | H52 | 126.9° | 126.6° |
| C16 | C17 | C19 | 106.2° | 107.0° |
| C16 | C17 | H53 | 126.9° | 126.5° |
| C19 | C17 | H53 | 126.9° | 126.5° |
| C17 | C19 | C20 | 125.3° | 125.8° |
| C19 | C20 | C23 | 123.1° | 120.2° |
| C19 | C20 | C21 | 117.4° | 120.2° |
| C23 | C20 | C21 | 119.4° | 119.6° |
| C20 | C23 | C24 | 119.6° | 119.9° |
| C20 | C23 | H56 | 120.2° | 120.0° |
| C20 | C21 | C22 | 119.7° | 119.9° |
| C20 | C21 | H54 | 120.2° | 120.1° |
| C24 | C23 | H56 | 120.2° | 120.1° |
| C23 | C24 | C25 | 122.1° | 120.1° |
| C23 | C24 | H57 | 118.9° | 120.0° |
| C25 | C24 | H57 | 119.0° | 119.9° |
| C24 | C25 | C22 | 116.0° | 120.3° |
| C24 | C25 | C26 | 123.4° | 119.9° |
| C22 | C21 | H54 | 120.1° | 120.0° |
| C21 | C22 | C25 | 122.7° | 120.1° |
| C21 | C22 | H55 | 118.7° | 119.9° |
| C25 | C22 | H55 | 118.7° | 119.9° |
| C22 | C25 | C26 | 120.7° | 119.8° |
| C25 | C26 | N27 | 124.5° | 109.5° |
| C25 | C26 | N28 | 125.2° | 109.5° |
| C25 | C26 | H26 | 32.4° | 109.5° |
| N27 | C26 | N28 | 110.1° | 109.4° |
| N27 | C26 | H26 | 122.6° | 109.5° |
| C26 | N27 | H59 | 109.5° | 106.7° |
| C26 | N27 | H58 | 109.5° | 106.7° |
| N28 | C26 | H26 | 118.3° | 109.4° |
| C26 | N28 | C29 | 126.2° | 106.7° |
| C26 | N28 | H60 | 104.2° | 106.7° |
| H59 | N27 | H58 | 109.4° | 106.8° |
| C29 | N28 | H60 | 104.2° | 106.7° |
| N28 | C29 | C30 | 108.0° | 109.5° |
| N28 | C29 | C31 | 107.6° | 109.4° |
| N28 | C29 | H61 | 112.9° | 109.4° |
| C30 | C29 | C31 | 113.1° | 109.5° |
| C30 | C29 | H61 | 107.5° | 109.5° |
| C29 | C30 | H63 | 109.5° | 109.4° |
| C29 | C30 | H62 | 109.4° | 109.5° |
| C29 | C30 | H64 | 109.5° | 109.5° |
| C31 | C29 | H61 | 107.8° | 109.5° |
| C29 | C31 | C32 | 114.8° | 109.5° |
| C29 | C31 | H66 | 107.7° | 109.4° |
| C29 | C31 | H65 | 106.6° | 109.5° |
| H63 | C30 | H62 | 109.5° | 109.5° |
| H63 | C30 | H64 | 109.4° | 109.5° |
| H62 | C30 | H64 | 109.5° | 109.5° |
| C32 | C31 | H66 | 107.8° | 109.5° |
| C32 | C31 | H65 | 106.5° | 109.5° |
| C31 | C32 | C33 | 113.1° | 109.5° |
| C31 | C32 | H68 | 108.3° | 109.4° |
| C31 | C32 | H67 | 107.5° | 109.5° |
| H66 | C31 | H65 | 113.7° | 109.4° |
| C33 | C32 | H68 | 108.3° | 109.5° |
| C33 | C32 | H67 | 107.5° | 109.5° |
| C32 | C33 | H71 | 109.4° | 109.5° |
| C32 | C33 | H69 | 109.5° | 109.5° |
| C32 | C33 | H70 | 109.5° | 109.5° |
| H68 | C32 | H67 | 112.3° | 109.5° |
| H71 | C33 | H69 | 109.5° | 109.4° |
| H71 | C33 | H70 | 109.4° | 109.5° |
| H69 | C33 | H70 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H34 | H35 | 120.0° | 120.0° |
| C2 | C1 | H34 | H36 | 120.0° | 120.0° |
| C2 | C1 | H35 | H36 | 120.0° | 120.0° |
| C1 | C2 | C3 | H37 | 119.4° | 119.9° |
| C1 | C2 | C3 | H38 | 120.0° | 120.0° |
| C1 | C2 | H37 | H38 | 119.6° | 120.0° |
| C1 | C2 | C3 | C4 | 176.3° | 180.0° |
| C1 | C2 | C3 | H40 | 63.6° | 60.0° |
| C1 | C2 | C3 | H39 | 57.9° | 60.0° |
| H34 | C1 | H35 | H36 | 119.9° | 120.0° |
| H34 | C1 | C2 | C3 | 49.6° | 60.0° |
| H34 | C1 | C2 | H37 | 169.0° | 59.9° |
| H34 | C1 | C2 | H38 | 70.4° | 180.0° |
| H35 | C1 | C2 | C3 | 169.6° | 60.0° |
| H35 | C1 | C2 | H37 | 71.0° | 180.0° |
| H35 | C1 | C2 | H38 | 49.6° | 60.0° |
| H36 | C1 | C2 | C3 | 70.4° | 180.0° |
| H36 | C1 | C2 | H37 | 49.0° | 60.0° |
| H36 | C1 | C2 | H38 | 169.6° | 60.0° |
| C3 | C2 | H37 | H38 | 119.6° | 120.0° |
| C2 | C3 | C4 | H40 | 120.0° | 120.0° |
| C2 | C3 | C4 | H39 | 118.5° | 120.0° |
| C2 | C3 | H40 | H39 | 118.6° | 120.0° |
| C2 | C3 | C4 | C5 | 70.1° | 175.0° |
| C2 | C3 | C4 | N6 | 170.3° | 65.0° |
| C2 | C3 | C4 | H41 | 49.0° | 55.0° |
| H37 | C2 | C3 | C4 | 64.3° | 60.1° |
| H37 | C2 | C3 | H40 | 55.8° | 60.0° |
| H37 | C2 | C3 | H39 | 177.3° | 180.0° |
| H38 | C2 | C3 | C4 | 56.3° | 60.0° |
| H38 | C2 | C3 | H40 | 176.3° | 180.0° |
| H38 | C2 | C3 | H39 | 62.2° | 60.0° |
| C4 | C3 | H40 | H39 | 118.6° | 120.0° |
| C3 | C4 | C5 | N6 | 120.0° | 120.0° |
| C3 | C4 | C5 | H41 | 118.7° | 120.0° |
| C3 | C4 | N6 | H41 | 118.7° | 120.0° |
| C3 | C4 | C5 | H43 | 33.7° | 180.0° |
| C3 | C4 | C5 | H42 | 86.3° | 60.0° |
| C3 | C4 | C5 | H44 | 153.7° | 60.0° |
| C3 | C4 | N6 | C7 | 99.1° | 155.1° |
| C3 | C4 | N6 | H45 | 140.9° | 91.2° |
| H40 | C3 | C4 | C5 | 49.9° | 65.0° |
| H40 | C3 | C4 | N6 | 69.7° | 55.0° |
| H40 | C3 | C4 | H41 | 169.0° | 175.0° |
| H39 | C3 | C4 | C5 | 171.4° | 55.0° |
| H39 | C3 | C4 | N6 | 51.8° | 175.0° |
| H39 | C3 | C4 | H41 | 69.5° | 65.0° |
| C5 | C4 | N6 | H41 | 119.1° | 120.0° |
| C4 | C5 | H43 | H42 | 120.0° | 120.0° |
| C4 | C5 | H43 | H44 | 120.0° | 120.0° |
| C4 | C5 | H42 | H44 | 120.0° | 120.0° |
| C5 | C4 | N6 | C7 | 138.8° | 85.0° |
| C5 | C4 | N6 | H45 | 18.7° | 28.7° |
| N6 | C4 | C5 | H43 | 153.7° | 60.1° |
| N6 | C4 | C5 | H42 | 33.7° | 60.0° |
| N6 | C4 | C5 | H44 | 86.3° | 180.0° |
| C4 | N6 | C7 | H45 | 120.0° | 113.8° |
| C4 | N6 | C7 | N8 | 90.7° | 104.2° |
| C4 | N6 | C7 | C9 | 90.7° | 135.8° |
| C4 | N6 | C7 | H7 | 81.5° | 15.7° |
| H41 | C4 | C5 | H43 | 85.0° | 60.0° |
| H41 | C4 | C5 | H42 | 155.0° | 180.0° |
| H41 | C4 | C5 | H44 | 35.0° | 60.0° |
| H41 | C4 | N6 | C7 | 19.6° | 35.0° |
| H41 | C4 | N6 | H45 | 100.4° | 148.7° |
| H43 | C5 | H42 | H44 | 120.0° | 120.0° |
| N6 | C7 | N8 | C9 | 178.6° | 120.0° |
| N6 | C7 | N8 | H7 | 170.7° | 120.0° |
| N6 | C7 | C9 | H7 | 43.1° | 120.1° |
| N6 | C7 | N8 | H47 | 39.3° | 60.0° |
| N6 | C7 | N8 | H46 | 80.8° | 173.8° |
| N6 | C7 | C9 | C12 | 6.1° | 123.6° |
| N6 | C7 | C9 | C10 | 175.0° | 56.6° |
| H45 | N6 | C7 | N8 | 149.2° | 142.0° |
| H45 | N6 | C7 | C9 | 29.3° | 22.0° |
| H45 | N6 | C7 | H7 | 38.5° | 98.0° |
| N8 | C7 | C9 | H7 | 138.5° | 120.0° |
| C7 | N8 | H47 | H46 | 120.0° | 113.8° |
| N8 | C7 | C9 | C12 | 172.3° | 116.4° |
| N8 | C7 | C9 | C10 | 6.6° | 63.3° |
| C9 | C7 | N8 | H47 | 139.4° | 60.0° |
| C9 | C7 | N8 | H46 | 100.6° | 53.8° |
| C7 | C9 | C12 | C10 | 178.9° | 179.7° |
| C7 | C9 | C12 | C13 | 172.7° | 179.8° |
| C7 | C9 | C12 | H50 | 7.3° | 0.3° |
| C7 | C9 | C10 | C11 | 175.8° | 180.0° |
| C7 | C9 | C10 | H48 | 4.2° | 0.0° |
| H7 | C7 | N8 | H47 | 150.1° | 180.0° |
| H7 | C7 | N8 | H46 | 89.9° | 66.3° |
| H7 | C7 | C9 | C12 | 49.2° | 3.6° |
| H7 | C7 | C9 | C10 | 131.9° | 176.7° |
| C9 | C12 | C13 | H50 | 180.0° | 179.4° |
| C9 | C12 | C13 | C14 | 3.9° | 0.5° |
| C9 | C12 | C13 | H51 | 176.1° | 179.7° |
| C12 | C9 | C10 | C11 | 3.2° | 0.2° |
| C12 | C9 | C10 | H48 | 176.8° | 179.7° |
| C10 | C9 | C12 | C13 | 6.3° | 0.5° |
| C10 | C9 | C12 | H50 | 173.7° | 180.0° |
| C9 | C10 | C11 | H48 | 180.0° | 180.0° |
| C9 | C10 | C11 | C14 | 2.2° | 0.0° |
| C9 | C10 | C11 | H49 | 177.9° | 180.0° |
| C12 | C13 | C14 | H51 | 180.0° | 179.8° |
| C12 | C13 | C14 | C11 | 1.7° | 0.3° |
| C12 | C13 | C14 | C15 | 175.2° | 179.8° |
| H50 | C12 | C13 | C14 | 176.1° | 180.0° |
| H50 | C12 | C13 | H51 | 3.9° | 0.3° |
| C13 | C14 | C11 | C10 | 4.7° | 0.0° |
| C13 | C14 | C11 | C15 | 177.1° | 179.9° |
| C13 | C14 | C11 | H49 | 175.3° | 180.0° |
| C13 | C14 | C15 | O18 | 179.3° | 180.0° |
| C13 | C14 | C15 | C16 | 8.2° | 0.4° |
| H51 | C13 | C14 | C11 | 178.3° | 180.0° |
| H51 | C13 | C14 | C15 | 4.8° | 0.0° |
| C10 | C11 | C14 | H49 | 180.0° | 179.9° |
| C10 | C11 | C14 | C15 | 172.4° | 179.9° |
| H48 | C10 | C11 | C14 | 177.8° | 180.0° |
| H48 | C10 | C11 | H49 | 2.1° | 0.1° |
| C11 | C14 | C15 | O18 | 2.3° | 0.1° |
| C11 | C14 | C15 | C16 | 168.9° | 179.7° |
| H49 | C11 | C14 | C15 | 7.6° | 0.0° |
| C14 | C15 | O18 | C16 | 172.3° | 179.6° |
| C14 | C15 | O18 | C19 | 171.9° | 180.0° |
| C14 | C15 | C16 | C17 | 171.9° | 179.9° |
| C14 | C15 | C16 | H52 | 8.1° | 0.3° |
| O18 | C15 | C16 | C17 | 0.3° | 0.5° |
| O18 | C15 | C16 | H52 | 179.7° | 180.0° |
| C15 | O18 | C19 | C17 | 0.3° | 0.0° |
| C15 | O18 | C19 | C20 | 175.4° | 180.0° |
| C16 | C15 | O18 | C19 | 0.3° | 0.3° |
| C15 | C16 | C17 | H52 | 180.0° | 179.5° |
| C15 | C16 | C17 | C19 | 0.1° | 0.5° |
| C15 | C16 | C17 | H53 | 179.9° | 179.9° |
| O18 | C19 | C17 | C16 | 0.1° | 0.3° |
| O18 | C19 | C17 | C20 | 175.1° | 180.0° |
| O18 | C19 | C17 | H53 | 179.9° | 179.9° |
| O18 | C19 | C20 | C23 | 178.2° | 0.0° |
| O18 | C19 | C20 | C21 | 0.5° | 179.7° |
| C16 | C17 | C19 | H53 | 180.0° | 179.6° |
| C16 | C17 | C19 | C20 | 175.2° | 179.7° |
| H52 | C16 | C17 | C19 | 179.9° | 180.0° |
| H52 | C16 | C17 | H53 | 0.1° | 0.4° |
| C17 | C19 | C20 | C23 | 3.8° | 180.0° |
| C17 | C19 | C20 | C21 | 173.9° | 0.3° |
| H53 | C17 | C19 | C20 | 4.8° | 0.1° |
| C19 | C20 | C23 | C21 | 177.6° | 179.7° |
| C19 | C20 | C23 | C24 | 174.4° | 180.0° |
| C19 | C20 | C23 | H56 | 5.6° | 0.0° |
| C19 | C20 | C21 | C22 | 172.1° | 179.7° |
| C19 | C20 | C21 | H54 | 7.9° | 0.3° |
| C20 | C23 | C24 | H56 | 180.0° | 180.0° |
| C20 | C23 | C24 | C25 | 3.4° | 0.0° |
| C20 | C23 | C24 | H57 | 176.6° | 180.0° |
| C23 | C20 | C21 | C22 | 5.7° | 0.5° |
| C23 | C20 | C21 | H54 | 174.3° | 179.9° |
| C21 | C20 | C23 | C24 | 3.2° | 0.2° |
| C21 | C20 | C23 | H56 | 176.8° | 179.8° |
| C20 | C21 | C22 | H54 | 180.0° | 179.4° |
| C20 | C21 | C22 | C25 | 1.6° | 0.6° |
| C20 | C21 | C22 | H55 | 178.4° | 179.8° |
| C23 | C24 | C25 | H57 | 180.0° | 179.9° |
| C23 | C24 | C25 | C22 | 7.2° | 0.0° |
| C23 | C24 | C25 | C26 | 172.8° | 180.0° |
| H56 | C23 | C24 | C25 | 176.6° | 179.9° |
| H56 | C23 | C24 | H57 | 3.4° | 0.0° |
| C24 | C25 | C22 | C21 | 4.7° | 0.3° |
| C24 | C25 | C22 | C26 | 180.0° | 180.0° |
| C24 | C25 | C22 | H55 | 175.4° | 180.0° |
| C24 | C25 | C26 | N27 | 175.5° | 30.0° |
| C24 | C25 | C26 | N28 | 1.8° | 150.0° |
| C24 | C25 | C26 | H26 | 86.5° | 90.0° |
| H57 | C24 | C25 | C22 | 172.8° | 179.9° |
| H57 | C24 | C25 | C26 | 7.2° | 0.1° |
| C21 | C22 | C25 | H55 | 180.0° | 179.6° |
| C21 | C22 | C25 | C26 | 175.3° | 179.7° |
| H54 | C21 | C22 | C25 | 178.4° | 180.0° |
| H54 | C21 | C22 | H55 | 1.6° | 0.4° |
| C22 | C25 | C26 | N27 | 4.5° | 150.0° |
| C22 | C25 | C26 | N28 | 178.2° | 30.1° |
| C22 | C25 | C26 | H26 | 93.5° | 89.9° |
| H55 | C22 | C25 | C26 | 4.6° | 0.1° |
| C25 | C26 | N27 | N28 | 174.5° | 120.0° |
| C25 | C26 | N27 | H26 | 39.1° | 120.1° |
| C25 | C26 | N28 | H26 | 37.5° | 120.0° |
| C25 | C26 | N27 | H59 | 28.3° | 173.8° |
| C25 | C26 | N27 | H58 | 91.6° | 59.9° |
| C25 | C26 | N28 | C29 | 139.3° | 135.0° |
| C25 | C26 | N28 | H60 | 100.7° | 111.2° |
| N27 | C26 | N28 | H26 | 148.0° | 120.0° |
| C26 | N27 | H59 | H58 | 120.0° | 113.8° |
| N27 | C26 | N28 | C29 | 46.2° | 105.0° |
| N27 | C26 | N28 | H60 | 73.8° | 8.8° |
| N28 | C26 | N27 | H59 | 157.1° | 53.8° |
| N28 | C26 | N27 | H58 | 82.9° | 60.1° |
| C26 | N28 | C29 | H60 | 120.0° | 113.8° |
| C26 | N28 | C29 | C30 | 71.7° | 85.0° |
| C26 | N28 | C29 | C31 | 165.8° | 155.0° |
| C26 | N28 | C29 | H61 | 46.9° | 35.0° |
| H26 | C26 | N27 | H59 | 10.7° | 66.1° |
| H26 | C26 | N27 | H58 | 130.7° | 180.0° |
| H26 | C26 | N28 | C29 | 101.8° | 15.0° |
| H26 | C26 | N28 | H60 | 138.2° | 128.8° |
| N28 | C29 | C30 | C31 | 119.0° | 120.0° |
| N28 | C29 | C30 | H61 | 122.1° | 120.0° |
| N28 | C29 | C31 | H61 | 122.1° | 119.9° |
| N28 | C29 | C30 | H63 | 128.7° | 180.0° |
| N28 | C29 | C30 | H62 | 111.3° | 60.0° |
| N28 | C29 | C30 | H64 | 8.7° | 60.0° |
| N28 | C29 | C31 | C32 | 179.1° | 65.0° |
| N28 | C29 | C31 | H66 | 59.1° | 175.0° |
| N28 | C29 | C31 | H65 | 63.2° | 55.1° |
| H60 | N28 | C29 | C30 | 168.3° | 161.2° |
| H60 | N28 | C29 | C31 | 45.8° | 41.2° |
| H60 | N28 | C29 | H61 | 73.1° | 78.8° |
| C30 | C29 | C31 | H61 | 118.7° | 120.1° |
| C29 | C30 | H63 | H62 | 120.0° | 120.0° |
| C29 | C30 | H63 | H64 | 120.0° | 120.0° |
| C29 | C30 | H62 | H64 | 120.0° | 120.0° |
| C30 | C29 | C31 | C32 | 61.7° | 175.0° |
| C30 | C29 | C31 | H66 | 178.3° | 55.0° |
| C30 | C29 | C31 | H65 | 56.0° | 64.9° |
| C31 | C29 | C30 | H63 | 112.3° | 60.0° |
| C31 | C29 | C30 | H62 | 7.7° | 180.0° |
| C31 | C29 | C30 | H64 | 127.7° | 60.0° |
| C29 | C31 | C32 | H66 | 120.0° | 120.0° |
| C29 | C31 | C32 | H65 | 117.7° | 120.0° |
| C29 | C31 | H66 | H65 | 117.8° | 120.0° |
| C29 | C31 | C32 | C33 | 59.7° | 180.0° |
| C29 | C31 | C32 | H68 | 179.7° | 60.0° |
| C29 | C31 | C32 | H67 | 58.7° | 60.0° |
| H61 | C29 | C30 | H63 | 6.6° | 60.0° |
| H61 | C29 | C30 | H62 | 126.6° | 59.9° |
| H61 | C29 | C30 | H64 | 113.4° | 180.0° |
| H61 | C29 | C31 | C32 | 57.0° | 54.9° |
| H61 | C29 | C31 | H66 | 63.0° | 65.1° |
| H61 | C29 | C31 | H65 | 174.7° | 175.0° |
| H63 | C30 | H62 | H64 | 120.0° | 120.0° |
| C32 | C31 | H66 | H65 | 117.8° | 120.0° |
| C31 | C32 | C33 | H68 | 120.0° | 120.0° |
| C31 | C32 | C33 | H67 | 118.4° | 120.0° |
| C31 | C32 | H68 | H67 | 118.5° | 120.0° |
| C31 | C32 | C33 | H71 | 173.2° | 180.0° |
| C31 | C32 | C33 | H69 | 66.7° | 60.0° |
| C31 | C32 | C33 | H70 | 53.3° | 60.0° |
| H66 | C31 | C32 | C33 | 60.2° | 60.0° |
| H66 | C31 | C32 | H68 | 59.7° | 180.0° |
| H66 | C31 | C32 | H67 | 178.7° | 60.0° |
| H65 | C31 | C32 | C33 | 177.4° | 60.0° |
| H65 | C31 | C32 | H68 | 62.6° | 60.1° |
| H65 | C31 | C32 | H67 | 59.0° | 180.0° |
| C33 | C32 | H68 | H67 | 118.5° | 120.0° |
| C32 | C33 | H71 | H69 | 120.0° | 120.0° |
| C32 | C33 | H71 | H70 | 120.0° | 120.0° |
| C32 | C33 | H69 | H70 | 120.0° | 120.1° |
| H68 | C32 | C33 | H71 | 66.8° | 60.0° |
| H68 | C32 | C33 | H69 | 53.3° | 60.0° |
| H68 | C32 | C33 | H70 | 173.3° | 180.0° |
| H67 | C32 | C33 | H71 | 54.8° | 60.0° |
| H67 | C32 | C33 | H69 | 174.8° | 180.0° |
| H67 | C32 | C33 | H70 | 65.2° | 60.0° |
| H71 | C33 | H69 | H70 | 120.0° | 119.9° |
