1AF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | C5 | sing | 1.54Å | 1.53Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.55Å | 1.54Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.54Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C5 | N6 | sing | 1.47Å | 1.46Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| N6 | C7 | sing | 1.47Å | 1.34Å | |
| N6 | H43 | sing | 1.01Å | 1.00Å | |
| C7 | N8 | sing | 1.47Å | 1.34Å | |
| C7 | C9 | sing | 1.51Å | 1.48Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N8 | H44 | sing | 1.01Å | 1.00Å | |
| N8 | H45 | sing | 1.01Å | 1.00Å | |
| C9 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H48 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | H49 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H46 | sing | 1.08Å | 1.08Å | |
| C11 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | H47 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.48Å | 1.44Å | Aromatic |
| C15 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| C17 | O18 | sing | 1.34Å | 1.38Å | Aromatic |
| C17 | H51 | sing | 1.08Å | 1.08Å | |
| O18 | C19 | sing | 1.35Å | 1.39Å | Aromatic |
| C16 | C19 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | H50 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.48Å | 1.45Å | Aromatic |
| C20 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H54 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H55 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H52 | sing | 1.08Å | 1.08Å | |
| C22 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H53 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.51Å | 1.48Å | |
| C26 | N27 | sing | 1.47Å | 1.33Å | |
| C26 | N28 | sing | 1.47Å | 1.34Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| N27 | H56 | sing | 1.01Å | 1.00Å | |
| N27 | H57 | sing | 1.01Å | 1.00Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| N28 | H58 | sing | 1.01Å | 1.00Å | |
| C29 | C30 | sing | 1.54Å | 1.54Å | |
| C29 | C33 | sing | 1.54Å | 1.55Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.54Å | 1.53Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.55Å | 1.54Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.55Å | 1.54Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C32 | H65 | sing | 1.09Å | 1.10Å | |
| C33 | H67 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 104.2° | 106.6° |
| C2 | C1 | H34 | 112.4° | 110.1° |
| C2 | C1 | H35 | 111.2° | 110.0° |
| C1 | C2 | C3 | 105.8° | 104.2° |
| C1 | C2 | H37 | 110.7° | 110.4° |
| C1 | C2 | H36 | 111.5° | 110.5° |
| C5 | C1 | H34 | 112.4° | 110.1° |
| C5 | C1 | H35 | 111.3° | 110.0° |
| C1 | C5 | C4 | 103.1° | 106.6° |
| C1 | C5 | N6 | 110.8° | 110.1° |
| C1 | C5 | H42 | 113.7° | 110.0° |
| H34 | C1 | H35 | 105.5° | 110.0° |
| C3 | C2 | H37 | 110.7° | 110.5° |
| C3 | C2 | H36 | 111.5° | 110.5° |
| C2 | C3 | C4 | 106.4° | 102.8° |
| C2 | C3 | H39 | 110.5° | 110.7° |
| C2 | C3 | H38 | 111.2° | 110.7° |
| H37 | C2 | H36 | 106.7° | 110.6° |
| C4 | C3 | H39 | 110.5° | 110.8° |
| C4 | C3 | H38 | 111.2° | 110.8° |
| C3 | C4 | C5 | 105.2° | 104.2° |
| C3 | C4 | H41 | 111.8° | 110.4° |
| C3 | C4 | H40 | 110.9° | 110.4° |
| H39 | C3 | H38 | 107.1° | 110.9° |
| C5 | C4 | H41 | 111.9° | 110.5° |
| C5 | C4 | H40 | 110.9° | 110.5° |
| C4 | C5 | N6 | 112.2° | 110.0° |
| C4 | C5 | H42 | 112.4° | 110.0° |
| H41 | C4 | H40 | 106.2° | 110.6° |
| N6 | C5 | H42 | 104.9° | 110.0° |
| C5 | N6 | C7 | 129.2° | 106.7° |
| C5 | N6 | H43 | 103.4° | 106.7° |
| C7 | N6 | H43 | 103.4° | 106.7° |
| N6 | C7 | N8 | 120.8° | 109.5° |
| N6 | C7 | C9 | 119.7° | 109.5° |
| N6 | C7 | H7 | 85.9° | 109.5° |
| N8 | C7 | C9 | 119.2° | 109.5° |
| N8 | C7 | H7 | 89.8° | 109.5° |
| C7 | N8 | H44 | 109.5° | 106.7° |
| C7 | N8 | H45 | 109.5° | 106.7° |
| C9 | C7 | H7 | 99.9° | 109.4° |
| C7 | C9 | C12 | 119.4° | 119.9° |
| C7 | C9 | C10 | 122.1° | 119.9° |
| H44 | N8 | H45 | 109.5° | 106.7° |
| C12 | C9 | C10 | 118.4° | 120.2° |
| C9 | C12 | C13 | 120.9° | 120.1° |
| C9 | C12 | H48 | 119.5° | 119.9° |
| C9 | C10 | C11 | 120.5° | 120.1° |
| C9 | C10 | H46 | 119.7° | 120.0° |
| C13 | C12 | H48 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.9° | 119.9° |
| C12 | C13 | H49 | 119.5° | 120.1° |
| C14 | C13 | H49 | 119.6° | 120.0° |
| C13 | C14 | C11 | 118.6° | 119.7° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C11 | C10 | H46 | 119.8° | 119.9° |
| C10 | C11 | C14 | 120.5° | 119.9° |
| C10 | C11 | H47 | 119.7° | 120.1° |
| C14 | C11 | H47 | 119.7° | 120.0° |
| C11 | C14 | C15 | 121.7° | 120.1° |
| C14 | C15 | C17 | 127.9° | 126.7° |
| C14 | C15 | C16 | 123.7° | 126.7° |
| C17 | C15 | C16 | 108.4° | 106.7° |
| C15 | C17 | O18 | 111.5° | 108.5° |
| C15 | C17 | H51 | 124.3° | 125.8° |
| C15 | C16 | C19 | 102.8° | 106.7° |
| C15 | C16 | H50 | 128.6° | 126.6° |
| O18 | C17 | H51 | 124.3° | 125.8° |
| C17 | O18 | C19 | 102.3° | 109.7° |
| O18 | C19 | C16 | 115.1° | 108.5° |
| O18 | C19 | C20 | 123.1° | 125.7° |
| C19 | C16 | H50 | 128.6° | 126.7° |
| C16 | C19 | C20 | 121.8° | 125.8° |
| C19 | C20 | C23 | 121.8° | 120.2° |
| C19 | C20 | C21 | 119.9° | 120.2° |
| C23 | C20 | C21 | 118.4° | 119.7° |
| C20 | C23 | C24 | 120.6° | 119.9° |
| C20 | C23 | H54 | 119.7° | 120.0° |
| C20 | C21 | C22 | 120.9° | 119.9° |
| C20 | C21 | H52 | 119.6° | 120.0° |
| C24 | C23 | H54 | 119.7° | 120.1° |
| C23 | C24 | C25 | 121.2° | 120.1° |
| C23 | C24 | H55 | 119.4° | 119.9° |
| C25 | C24 | H55 | 119.4° | 119.9° |
| C24 | C25 | C22 | 118.1° | 120.3° |
| C24 | C25 | C26 | 119.6° | 119.9° |
| C22 | C21 | H52 | 119.6° | 120.1° |
| C21 | C22 | C25 | 120.7° | 120.2° |
| C21 | C22 | H53 | 119.6° | 119.9° |
| C25 | C22 | H53 | 119.7° | 120.0° |
| C22 | C25 | C26 | 122.3° | 119.8° |
| C25 | C26 | N27 | 119.3° | 109.4° |
| C25 | C26 | N28 | 120.8° | 109.5° |
| C25 | C26 | H26 | 89.2° | 109.5° |
| N27 | C26 | N28 | 119.5° | 109.5° |
| N27 | C26 | H26 | 99.5° | 109.4° |
| C26 | N27 | H56 | 109.5° | 106.7° |
| C26 | N27 | H57 | 109.5° | 106.7° |
| N28 | C26 | H26 | 87.7° | 109.5° |
| C26 | N28 | C29 | 126.7° | 106.7° |
| C26 | N28 | H58 | 104.1° | 106.7° |
| H56 | N27 | H57 | 109.5° | 106.6° |
| C29 | N28 | H58 | 104.1° | 106.7° |
| N28 | C29 | C30 | 110.8° | 110.0° |
| N28 | C29 | C33 | 110.7° | 110.0° |
| N28 | C29 | H59 | 106.7° | 110.0° |
| C30 | C29 | C33 | 106.1° | 106.6° |
| C30 | C29 | H59 | 111.3° | 110.1° |
| C29 | C30 | C31 | 105.3° | 106.6° |
| C29 | C30 | H60 | 110.9° | 110.0° |
| C29 | C30 | H61 | 111.8° | 110.0° |
| C33 | C29 | H59 | 111.3° | 110.1° |
| C29 | C33 | C32 | 106.7° | 104.2° |
| C29 | C33 | H67 | 110.4° | 110.5° |
| C29 | C33 | H66 | 111.0° | 110.4° |
| C31 | C30 | H60 | 110.9° | 110.0° |
| C31 | C30 | H61 | 111.8° | 110.0° |
| C30 | C31 | C32 | 103.8° | 104.2° |
| C30 | C31 | H62 | 112.6° | 110.5° |
| C30 | C31 | H63 | 111.4° | 110.5° |
| H60 | C30 | H61 | 106.3° | 110.0° |
| C32 | C31 | H62 | 112.6° | 110.5° |
| C32 | C31 | H63 | 111.4° | 110.5° |
| C31 | C32 | C33 | 105.0° | 102.8° |
| C31 | C32 | H64 | 112.0° | 110.7° |
| C31 | C32 | H65 | 111.0° | 110.8° |
| H62 | C31 | H63 | 105.2° | 110.5° |
| C33 | C32 | H64 | 112.0° | 110.8° |
| C33 | C32 | H65 | 111.0° | 110.8° |
| C32 | C33 | H67 | 110.4° | 110.5° |
| C32 | C33 | H66 | 111.0° | 110.5° |
| H64 | C32 | H65 | 106.1° | 110.8° |
| H67 | C33 | H66 | 107.3° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H34 | 122.0° | 119.4° |
| C2 | C1 | C5 | H35 | 120.0° | 119.3° |
| C2 | C1 | H34 | H35 | 121.4° | 121.4° |
| C1 | C2 | C3 | H37 | 120.0° | 118.6° |
| C1 | C2 | C3 | H36 | 121.4° | 118.7° |
| C1 | C2 | H37 | H36 | 121.5° | 122.6° |
| C1 | C2 | C3 | C4 | 6.9° | 37.9° |
| C1 | C2 | C3 | H39 | 126.9° | 156.3° |
| C1 | C2 | C3 | H38 | 114.2° | 80.4° |
| C2 | C1 | C5 | C4 | 39.2° | 0.0° |
| C2 | C1 | C5 | N6 | 159.4° | 119.3° |
| C2 | C1 | C5 | H42 | 82.7° | 119.3° |
| C5 | C1 | H34 | H35 | 121.4° | 121.3° |
| C5 | C1 | C2 | C3 | 28.6° | 23.6° |
| C5 | C1 | C2 | H37 | 91.4° | 95.0° |
| C5 | C1 | C2 | H36 | 150.0° | 142.3° |
| C1 | C5 | C4 | C3 | 34.9° | 23.6° |
| C1 | C5 | C4 | N6 | 119.3° | 119.4° |
| C1 | C5 | C4 | H42 | 122.8° | 119.3° |
| C1 | C5 | C4 | H41 | 86.8° | 95.1° |
| C1 | C5 | C4 | H40 | 154.9° | 142.2° |
| C1 | C5 | N6 | H42 | 123.1° | 121.4° |
| C1 | C5 | N6 | C7 | 170.6° | 155.0° |
| C1 | C5 | N6 | H43 | 69.4° | 41.2° |
| H34 | C1 | C2 | C3 | 150.6° | 95.7° |
| H34 | C1 | C2 | H37 | 30.6° | 145.6° |
| H34 | C1 | C2 | H36 | 88.1° | 23.0° |
| H34 | C1 | C5 | C4 | 161.2° | 119.3° |
| H34 | C1 | C5 | N6 | 78.6° | 121.4° |
| H34 | C1 | C5 | H42 | 39.3° | 0.0° |
| H35 | C1 | C2 | C3 | 91.4° | 142.8° |
| H35 | C1 | C2 | H37 | 148.6° | 24.2° |
| H35 | C1 | C2 | H36 | 30.0° | 98.5° |
| H35 | C1 | C5 | C4 | 80.8° | 119.3° |
| H35 | C1 | C5 | N6 | 39.5° | 0.0° |
| H35 | C1 | C5 | H42 | 157.3° | 121.4° |
| C3 | C2 | H37 | H36 | 121.5° | 122.7° |
| C2 | C3 | C4 | H39 | 120.0° | 118.3° |
| C2 | C3 | C4 | H38 | 121.2° | 118.2° |
| C2 | C3 | H39 | H38 | 121.2° | 123.2° |
| C2 | C3 | C4 | C5 | 17.3° | 37.9° |
| C2 | C3 | C4 | H41 | 104.3° | 80.7° |
| C2 | C3 | C4 | H40 | 137.3° | 156.6° |
| H37 | C2 | C3 | C4 | 113.0° | 80.7° |
| H37 | C2 | C3 | H39 | 7.0° | 37.7° |
| H37 | C2 | C3 | H38 | 125.8° | 161.0° |
| H36 | C2 | C3 | C4 | 128.3° | 156.6° |
| H36 | C2 | C3 | H39 | 111.7° | 85.1° |
| H36 | C2 | C3 | H38 | 7.2° | 38.3° |
| C4 | C3 | H39 | H38 | 121.2° | 123.4° |
| C3 | C4 | C5 | H41 | 121.6° | 118.6° |
| C3 | C4 | C5 | H40 | 120.0° | 118.7° |
| C3 | C4 | H41 | H40 | 121.1° | 122.6° |
| C3 | C4 | C5 | N6 | 154.2° | 142.9° |
| C3 | C4 | C5 | H42 | 88.0° | 95.7° |
| H39 | C3 | C4 | C5 | 102.7° | 156.2° |
| H39 | C3 | C4 | H41 | 135.7° | 37.5° |
| H39 | C3 | C4 | H40 | 17.3° | 85.1° |
| H38 | C3 | C4 | C5 | 138.5° | 80.3° |
| H38 | C3 | C4 | H41 | 16.9° | 161.0° |
| H38 | C3 | C4 | H40 | 101.5° | 38.4° |
| C5 | C4 | H41 | H40 | 121.1° | 122.7° |
| C4 | C5 | N6 | H42 | 122.3° | 121.4° |
| C4 | C5 | N6 | C7 | 74.7° | 87.8° |
| C4 | C5 | N6 | H43 | 45.2° | 158.4° |
| H41 | C4 | C5 | N6 | 32.5° | 24.3° |
| H41 | C4 | C5 | H42 | 150.4° | 145.6° |
| H40 | C4 | C5 | N6 | 85.8° | 98.4° |
| H40 | C4 | C5 | H42 | 32.1° | 22.9° |
| C5 | N6 | C7 | H43 | 120.0° | 113.8° |
| C5 | N6 | C7 | N8 | 0.1° | 105.0° |
| C5 | N6 | C7 | C9 | 173.4° | 135.0° |
| C5 | N6 | C7 | H7 | 87.4° | 15.0° |
| H42 | C5 | N6 | C7 | 47.5° | 33.6° |
| H42 | C5 | N6 | H43 | 167.5° | 80.3° |
| N6 | C7 | N8 | C9 | 173.6° | 120.0° |
| N6 | C7 | N8 | H7 | 85.1° | 120.1° |
| N6 | C7 | C9 | H7 | 90.9° | 120.0° |
| N6 | C7 | N8 | H44 | 91.1° | 60.0° |
| N6 | C7 | N8 | H45 | 148.9° | 53.8° |
| N6 | C7 | C9 | C12 | 163.2° | 30.0° |
| N6 | C7 | C9 | C10 | 19.7° | 150.0° |
| H43 | N6 | C7 | N8 | 119.9° | 8.8° |
| H43 | N6 | C7 | C9 | 66.6° | 111.2° |
| H43 | N6 | C7 | H7 | 32.5° | 128.8° |
| N8 | C7 | C9 | H7 | 95.4° | 120.0° |
| C7 | N8 | H44 | H45 | 120.0° | 113.8° |
| N8 | C7 | C9 | C12 | 23.1° | 150.0° |
| N8 | C7 | C9 | C10 | 153.9° | 29.9° |
| C9 | C7 | N8 | H44 | 82.5° | 60.0° |
| C9 | C7 | N8 | H45 | 37.5° | 173.8° |
| C7 | C9 | C12 | C10 | 177.1° | 179.9° |
| C7 | C9 | C12 | C13 | 175.0° | 179.8° |
| C7 | C9 | C12 | H48 | 5.0° | 0.0° |
| C7 | C9 | C10 | C11 | 173.7° | 179.9° |
| C7 | C9 | C10 | H46 | 6.4° | 0.1° |
| H7 | C7 | N8 | H44 | 176.2° | 179.9° |
| H7 | C7 | N8 | H45 | 63.8° | 66.3° |
| H7 | C7 | C9 | C12 | 72.3° | 90.0° |
| H7 | C7 | C9 | C10 | 110.7° | 90.0° |
| C9 | C12 | C13 | H48 | 180.0° | 179.8° |
| C9 | C12 | C13 | C14 | 0.3° | 0.5° |
| C9 | C12 | C13 | H49 | 179.7° | 180.0° |
| C12 | C9 | C10 | C11 | 3.4° | 0.1° |
| C12 | C9 | C10 | H46 | 176.6° | 180.0° |
| C10 | C9 | C12 | C13 | 2.2° | 0.2° |
| C10 | C9 | C12 | H48 | 177.8° | 179.9° |
| C9 | C10 | C11 | H46 | 180.0° | 179.8° |
| C9 | C10 | C11 | C14 | 2.2° | 0.1° |
| C9 | C10 | C11 | H47 | 177.8° | 179.9° |
| C12 | C13 | C14 | H49 | 180.0° | 179.5° |
| C12 | C13 | C14 | C11 | 1.6° | 0.5° |
| C12 | C13 | C14 | C15 | 177.6° | 179.8° |
| H48 | C12 | C13 | C14 | 179.7° | 179.7° |
| H48 | C12 | C13 | H49 | 0.3° | 0.2° |
| C13 | C14 | C11 | C10 | 0.4° | 0.2° |
| C13 | C14 | C11 | C15 | 179.2° | 179.7° |
| C13 | C14 | C11 | H47 | 179.7° | 179.8° |
| C13 | C14 | C15 | C17 | 172.4° | 140.3° |
| C13 | C14 | C15 | C16 | 5.4° | 40.0° |
| H49 | C13 | C14 | C11 | 178.4° | 180.0° |
| H49 | C13 | C14 | C15 | 2.4° | 0.3° |
| C10 | C11 | C14 | H47 | 180.0° | 180.0° |
| C10 | C11 | C14 | C15 | 178.9° | 179.9° |
| H46 | C10 | C11 | C14 | 177.8° | 179.9° |
| H46 | C10 | C11 | H47 | 2.2° | 0.1° |
| C11 | C14 | C15 | C17 | 6.8° | 40.0° |
| C11 | C14 | C15 | C16 | 175.4° | 139.7° |
| H47 | C11 | C14 | C15 | 1.1° | 0.1° |
| C14 | C15 | C17 | C16 | 178.0° | 179.8° |
| C14 | C15 | C17 | O18 | 177.7° | 180.0° |
| C14 | C15 | C17 | H51 | 2.3° | 0.0° |
| C14 | C15 | C16 | C19 | 177.7° | 179.8° |
| C14 | C15 | C16 | H50 | 2.3° | 0.3° |
| C15 | C17 | O18 | H51 | 180.0° | 180.0° |
| C15 | C17 | O18 | C19 | 0.1° | 0.0° |
| C17 | C15 | C16 | C19 | 0.5° | 0.4° |
| C17 | C15 | C16 | H50 | 179.5° | 180.0° |
| C16 | C15 | C17 | O18 | 0.3° | 0.2° |
| C16 | C15 | C17 | H51 | 179.6° | 179.7° |
| C15 | C16 | C19 | O18 | 0.4° | 0.4° |
| C15 | C16 | C19 | H50 | 180.0° | 179.6° |
| C15 | C16 | C19 | C20 | 178.3° | 179.9° |
| C17 | O18 | C19 | C16 | 0.2° | 0.3° |
| C17 | O18 | C19 | C20 | 178.1° | 180.0° |
| H51 | C17 | O18 | C19 | 179.9° | 180.0° |
| O18 | C19 | C16 | C20 | 177.9° | 179.7° |
| O18 | C19 | C16 | H50 | 179.6° | 180.0° |
| O18 | C19 | C20 | C23 | 174.6° | 40.0° |
| O18 | C19 | C20 | C21 | 4.0° | 140.1° |
| C16 | C19 | C20 | C23 | 3.2° | 140.3° |
| C16 | C19 | C20 | C21 | 178.2° | 39.6° |
| H50 | C16 | C19 | C20 | 1.6° | 0.3° |
| C19 | C20 | C23 | C21 | 178.6° | 180.0° |
| C19 | C20 | C23 | C24 | 176.5° | 179.9° |
| C19 | C20 | C23 | H54 | 3.5° | 0.0° |
| C19 | C20 | C21 | C22 | 176.7° | 179.8° |
| C19 | C20 | C21 | H52 | 3.3° | 0.0° |
| C20 | C23 | C24 | H54 | 180.0° | 179.9° |
| C20 | C23 | C24 | C25 | 0.6° | 0.0° |
| C20 | C23 | C24 | H55 | 179.4° | 180.0° |
| C23 | C20 | C21 | C22 | 1.9° | 0.3° |
| C23 | C20 | C21 | H52 | 178.1° | 180.0° |
| C21 | C20 | C23 | C24 | 2.1° | 0.0° |
| C21 | C20 | C23 | H54 | 177.9° | 179.9° |
| C20 | C21 | C22 | H52 | 180.0° | 179.8° |
| C20 | C21 | C22 | C25 | 0.9° | 0.5° |
| C20 | C21 | C22 | H53 | 179.1° | 180.0° |
| C23 | C24 | C25 | H55 | 180.0° | 180.0° |
| C23 | C24 | C25 | C22 | 3.4° | 0.3° |
| C23 | C24 | C25 | C26 | 175.4° | 179.9° |
| H54 | C23 | C24 | C25 | 179.4° | 179.9° |
| H54 | C23 | C24 | H55 | 0.6° | 0.1° |
| C24 | C25 | C22 | C21 | 3.5° | 0.5° |
| C24 | C25 | C22 | C26 | 178.7° | 179.7° |
| C24 | C25 | C22 | H53 | 176.4° | 180.0° |
| C24 | C25 | C26 | N27 | 22.0° | 30.0° |
| C24 | C25 | C26 | N28 | 165.3° | 150.0° |
| C24 | C25 | C26 | H26 | 78.5° | 89.9° |
| H55 | C24 | C25 | C22 | 176.6° | 179.7° |
| H55 | C24 | C25 | C26 | 4.7° | 0.0° |
| C21 | C22 | C25 | H53 | 180.0° | 179.4° |
| C21 | C22 | C25 | C26 | 175.2° | 179.8° |
| H52 | C21 | C22 | C25 | 179.1° | 179.7° |
| H52 | C21 | C22 | H53 | 0.9° | 0.2° |
| C22 | C25 | C26 | N27 | 156.7° | 150.3° |
| C22 | C25 | C26 | N28 | 16.0° | 30.3° |
| C22 | C25 | C26 | H26 | 102.8° | 89.7° |
| H53 | C22 | C25 | C26 | 4.8° | 0.3° |
| C25 | C26 | N27 | N28 | 172.8° | 120.0° |
| C25 | C26 | N27 | H26 | 94.5° | 120.0° |
| C25 | C26 | N28 | H26 | 87.7° | 120.1° |
| C25 | C26 | N27 | H56 | 104.6° | 60.0° |
| C25 | C26 | N27 | H57 | 135.4° | 173.7° |
| C25 | C26 | N28 | C29 | 156.3° | 135.1° |
| C25 | C26 | N28 | H58 | 83.7° | 111.2° |
| N27 | C26 | N28 | H26 | 99.6° | 119.9° |
| C26 | N27 | H56 | H57 | 120.0° | 113.7° |
| N27 | C26 | N28 | C29 | 30.9° | 105.0° |
| N27 | C26 | N28 | H58 | 89.0° | 8.8° |
| N28 | C26 | N27 | H56 | 82.6° | 60.0° |
| N28 | C26 | N27 | H57 | 37.4° | 53.7° |
| C26 | N28 | C29 | H58 | 120.0° | 113.7° |
| C26 | N28 | C29 | C30 | 65.0° | 155.0° |
| C26 | N28 | C29 | C33 | 177.6° | 87.8° |
| C26 | N28 | C29 | H59 | 56.3° | 33.6° |
| H26 | C26 | N27 | H56 | 10.1° | 180.0° |
| H26 | C26 | N27 | H57 | 130.1° | 66.3° |
| H26 | C26 | N28 | C29 | 68.6° | 15.0° |
| H26 | C26 | N28 | H58 | 171.4° | 128.7° |
| N28 | C29 | C30 | C33 | 120.2° | 119.3° |
| N28 | C29 | C30 | H59 | 118.5° | 121.4° |
| N28 | C29 | C33 | H59 | 118.5° | 121.4° |
| N28 | C29 | C30 | C31 | 141.5° | 119.3° |
| N28 | C29 | C30 | H60 | 21.5° | 0.0° |
| N28 | C29 | C30 | H61 | 96.9° | 121.5° |
| N28 | C29 | C33 | C32 | 119.7° | 142.9° |
| N28 | C29 | C33 | H67 | 120.3° | 98.4° |
| N28 | C29 | C33 | H66 | 1.4° | 24.2° |
| H58 | N28 | C29 | C30 | 175.0° | 41.3° |
| H58 | N28 | C29 | C33 | 57.7° | 158.5° |
| H58 | N28 | C29 | H59 | 63.7° | 80.1° |
| C30 | C29 | C33 | H59 | 121.2° | 119.4° |
| C29 | C30 | C31 | H60 | 120.0° | 119.3° |
| C29 | C30 | C31 | H61 | 121.5° | 119.3° |
| C29 | C30 | H60 | H61 | 121.7° | 121.4° |
| C29 | C30 | C31 | C32 | 35.0° | 23.6° |
| C29 | C30 | C31 | H62 | 87.1° | 142.3° |
| C29 | C30 | C31 | H63 | 154.9° | 95.1° |
| C30 | C29 | C33 | C32 | 0.5° | 23.6° |
| C30 | C29 | C33 | H67 | 119.5° | 142.3° |
| C30 | C29 | C33 | H66 | 121.6° | 95.1° |
| C33 | C29 | C30 | C31 | 21.3° | 0.0° |
| C33 | C29 | C30 | H60 | 98.7° | 119.3° |
| C33 | C29 | C30 | H61 | 142.9° | 119.3° |
| C29 | C33 | C32 | C31 | 22.1° | 37.9° |
| C29 | C33 | C32 | H67 | 120.0° | 118.7° |
| C29 | C33 | C32 | H66 | 121.1° | 118.6° |
| C29 | C33 | C32 | H64 | 143.8° | 80.4° |
| C29 | C33 | C32 | H65 | 97.9° | 156.3° |
| C29 | C33 | H67 | H66 | 121.1° | 122.6° |
| H59 | C29 | C30 | C31 | 100.0° | 119.4° |
| H59 | C29 | C30 | H60 | 140.0° | 121.3° |
| H59 | C29 | C30 | H61 | 21.6° | 0.1° |
| H59 | C29 | C33 | C32 | 121.8° | 95.8° |
| H59 | C29 | C33 | H67 | 1.8° | 22.9° |
| H59 | C29 | C33 | H66 | 117.1° | 145.6° |
| C31 | C30 | H60 | H61 | 121.7° | 121.4° |
| C30 | C31 | C32 | H62 | 122.1° | 118.7° |
| C30 | C31 | C32 | H63 | 120.0° | 118.7° |
| C30 | C31 | H62 | H63 | 121.5° | 122.6° |
| C30 | C31 | C32 | C33 | 35.2° | 37.9° |
| C30 | C31 | C32 | H64 | 156.9° | 80.4° |
| C30 | C31 | C32 | H65 | 84.8° | 156.3° |
| H60 | C30 | C31 | C32 | 85.0° | 142.9° |
| H60 | C30 | C31 | H62 | 152.9° | 98.4° |
| H60 | C30 | C31 | H63 | 34.9° | 24.2° |
| H61 | C30 | C31 | C32 | 156.5° | 95.7° |
| H61 | C30 | C31 | H62 | 34.4° | 23.0° |
| H61 | C30 | C31 | H63 | 83.5° | 145.6° |
| C32 | C31 | H62 | H63 | 121.5° | 122.6° |
| C31 | C32 | C33 | H64 | 121.7° | 118.3° |
| C31 | C32 | C33 | H65 | 120.0° | 118.4° |
| C31 | C32 | H64 | H65 | 121.2° | 123.4° |
| C31 | C32 | C33 | H67 | 97.9° | 156.6° |
| C31 | C32 | C33 | H66 | 143.2° | 80.7° |
| H62 | C31 | C32 | C33 | 86.9° | 156.6° |
| H62 | C31 | C32 | H64 | 34.8° | 38.3° |
| H62 | C31 | C32 | H65 | 153.1° | 85.0° |
| H63 | C31 | C32 | C33 | 155.2° | 80.8° |
| H63 | C31 | C32 | H64 | 83.1° | 160.9° |
| H63 | C31 | C32 | H65 | 35.2° | 37.5° |
| C33 | C32 | H64 | H65 | 121.2° | 123.3° |
| C32 | C33 | H67 | H66 | 121.2° | 122.6° |
| H64 | C32 | C33 | H67 | 23.8° | 38.3° |
| H64 | C32 | C33 | H66 | 95.1° | 161.0° |
| H65 | C32 | C33 | H67 | 142.1° | 85.0° |
| H65 | C32 | C33 | H66 | 23.2° | 37.6° |
