331
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.40Å | 1.38Å | |
| C1 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| N2 | C5 | sing | 1.35Å | 1.36Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| C3 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | F7 | sing | 1.35Å | 1.36Å | |
| C4 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H37 | sing | 1.08Å | 1.08Å | |
| C5 | N9 | sing | 1.35Å | 1.37Å | |
| C5 | O10 | doub | 1.22Å | 1.23Å | |
| C6 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H38 | sing | 1.08Å | 1.08Å | |
| C8 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | H39 | sing | 1.08Å | 1.08Å | |
| N9 | C12 | sing | 1.46Å | 1.46Å | |
| N9 | C13 | sing | 1.47Å | 1.47Å | |
| C11 | F14 | sing | 1.35Å | 1.33Å | |
| C12 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | H40 | sing | 1.09Å | 1.08Å | |
| C12 | H41 | sing | 1.09Å | 1.08Å | |
| C13 | C16 | sing | 1.53Å | 1.51Å | |
| C13 | H42 | sing | 1.09Å | 1.08Å | |
| C13 | H43 | sing | 1.09Å | 1.08Å | |
| C15 | C17 | sing | 1.51Å | 1.48Å | |
| C15 | H44 | sing | 1.09Å | 1.08Å | |
| C15 | H45 | sing | 1.09Å | 1.08Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | H46 | sing | 1.09Å | 1.08Å | |
| C16 | H47 | sing | 1.09Å | 1.08Å | |
| C17 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C21 | sing | 1.53Å | 1.57Å | |
| C18 | H48 | sing | 1.09Å | 1.08Å | |
| C18 | H49 | sing | 1.09Å | 1.08Å | |
| C19 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H50 | sing | 1.08Å | 1.08Å | |
| C20 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H51 | sing | 1.08Å | 1.08Å | |
| C21 | C24 | sing | 1.53Å | 1.52Å | |
| C21 | H52 | sing | 1.09Å | 1.08Å | |
| C21 | H53 | sing | 1.09Å | 1.08Å | |
| C22 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | H54 | sing | 1.08Å | 1.07Å | |
| C23 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | H55 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | sing | 1.53Å | 1.51Å | |
| C24 | H56 | sing | 1.09Å | 1.08Å | |
| C24 | H57 | sing | 1.09Å | 1.08Å | |
| C25 | O27 | sing | 1.36Å | 1.40Å | |
| C26 | C28 | sing | 1.53Å | 1.51Å | |
| C26 | H58 | sing | 1.09Å | 1.08Å | |
| C26 | H59 | sing | 1.09Å | 1.08Å | |
| O27 | C29 | sing | 1.43Å | 1.43Å | |
| C28 | H60 | sing | 1.09Å | 1.08Å | |
| C28 | H61 | sing | 1.09Å | 1.07Å | |
| C28 | H62 | sing | 1.09Å | 1.07Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C29 | C32 | sing | 1.53Å | 1.56Å | |
| C30 | O33 | sing | 1.34Å | 1.24Å | |
| C30 | O34 | doub | 1.21Å | 1.22Å | |
| C31 | C35 | sing | 1.53Å | 1.50Å | |
| C31 | H63 | sing | 1.09Å | 1.08Å | |
| C31 | H64 | sing | 1.09Å | 1.08Å | |
| C32 | H65 | sing | 1.09Å | 1.08Å | |
| C32 | H66 | sing | 1.09Å | 1.08Å | |
| C32 | H67 | sing | 1.09Å | 1.08Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| C35 | H69 | sing | 1.09Å | 1.06Å | |
| C35 | H70 | sing | 1.09Å | 1.05Å | |
| C35 | H71 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 120.0° | 120.0° |
| N2 | C1 | C4 | 122.4° | 120.1° |
| C1 | N2 | C5 | 132.2° | 120.0° |
| C1 | N2 | H36 | 115.0° | 120.1° |
| C3 | C1 | C4 | 117.5° | 119.9° |
| C1 | C3 | C6 | 121.7° | 119.9° |
| C1 | C3 | F7 | 117.3° | 120.1° |
| C1 | C4 | C8 | 121.6° | 120.0° |
| C1 | C4 | H37 | 120.7° | 120.0° |
| C5 | N2 | H36 | 112.8° | 120.0° |
| N2 | C5 | N9 | 116.2° | 120.0° |
| N2 | C5 | O10 | 122.5° | 120.0° |
| C6 | C3 | F7 | 121.0° | 120.0° |
| C3 | C6 | C11 | 118.3° | 120.0° |
| C3 | C6 | H38 | 121.9° | 120.0° |
| C8 | C4 | H37 | 117.7° | 120.0° |
| C4 | C8 | C11 | 119.9° | 120.1° |
| C4 | C8 | H39 | 120.2° | 120.0° |
| N9 | C5 | O10 | 121.3° | 120.0° |
| C5 | N9 | C12 | 124.5° | 120.0° |
| C5 | N9 | C13 | 118.0° | 120.0° |
| C11 | C6 | H38 | 119.8° | 120.1° |
| C6 | C11 | C8 | 121.0° | 120.1° |
| C6 | C11 | F14 | 121.6° | 119.9° |
| C11 | C8 | H39 | 120.0° | 119.9° |
| C8 | C11 | F14 | 117.3° | 120.0° |
| C12 | N9 | C13 | 117.5° | 120.0° |
| N9 | C12 | C15 | 114.4° | 109.5° |
| N9 | C12 | H40 | 109.6° | 109.5° |
| N9 | C12 | H41 | 104.0° | 109.5° |
| N9 | C13 | C16 | 109.2° | 109.5° |
| N9 | C13 | H42 | 108.8° | 109.5° |
| N9 | C13 | H43 | 107.9° | 109.5° |
| C15 | C12 | H40 | 111.6° | 109.5° |
| C15 | C12 | H41 | 111.4° | 109.5° |
| C12 | C15 | C17 | 105.1° | 109.5° |
| C12 | C15 | H44 | 110.6° | 109.5° |
| C12 | C15 | H45 | 111.0° | 109.5° |
| H40 | C12 | H41 | 105.2° | 109.5° |
| C16 | C13 | H42 | 111.8° | 109.4° |
| C16 | C13 | H43 | 110.8° | 109.5° |
| C13 | C16 | C18 | 107.7° | 109.5° |
| C13 | C16 | H46 | 109.6° | 109.4° |
| C13 | C16 | H47 | 110.7° | 109.5° |
| H42 | C13 | H43 | 108.2° | 109.4° |
| C17 | C15 | H44 | 109.0° | 109.4° |
| C17 | C15 | H45 | 111.1° | 109.5° |
| C15 | C17 | C19 | 118.2° | 119.9° |
| C15 | C17 | C20 | 122.6° | 120.0° |
| H44 | C15 | H45 | 110.0° | 109.5° |
| C18 | C16 | H46 | 109.4° | 109.4° |
| C18 | C16 | H47 | 111.7° | 109.5° |
| C16 | C18 | C21 | 115.1° | 109.5° |
| C16 | C18 | H48 | 109.1° | 109.4° |
| C16 | C18 | H49 | 106.3° | 109.4° |
| H46 | C16 | H47 | 107.7° | 109.4° |
| C19 | C17 | C20 | 119.2° | 120.1° |
| C17 | C19 | C22 | 119.8° | 120.0° |
| C17 | C19 | H50 | 119.3° | 120.0° |
| C17 | C20 | C23 | 121.3° | 120.0° |
| C17 | C20 | H51 | 120.0° | 120.0° |
| C21 | C18 | H48 | 110.7° | 109.5° |
| C21 | C18 | H49 | 110.6° | 109.5° |
| C18 | C21 | C24 | 108.1° | 109.5° |
| C18 | C21 | H52 | 111.3° | 109.5° |
| C18 | C21 | H53 | 111.4° | 109.5° |
| H48 | C18 | H49 | 104.3° | 109.5° |
| C22 | C19 | H50 | 120.9° | 120.0° |
| C19 | C22 | C25 | 122.0° | 120.0° |
| C19 | C22 | H54 | 117.6° | 120.0° |
| C23 | C20 | H51 | 118.7° | 120.0° |
| C20 | C23 | C25 | 119.7° | 120.0° |
| C20 | C23 | H55 | 119.4° | 120.0° |
| C24 | C21 | H52 | 109.6° | 109.4° |
| C24 | C21 | H53 | 109.3° | 109.4° |
| C21 | C24 | C26 | 115.0° | 109.5° |
| C21 | C24 | H56 | 107.5° | 109.4° |
| C21 | C24 | H57 | 110.2° | 109.5° |
| H52 | C21 | H53 | 107.1° | 109.4° |
| C25 | C22 | H54 | 120.4° | 120.0° |
| C22 | C25 | C23 | 118.0° | 119.9° |
| C22 | C25 | O27 | 115.8° | 120.1° |
| C25 | C23 | H55 | 120.9° | 120.1° |
| C23 | C25 | O27 | 126.1° | 120.1° |
| C26 | C24 | H56 | 107.7° | 109.4° |
| C26 | C24 | H57 | 109.1° | 109.5° |
| C24 | C26 | C28 | 110.2° | 109.5° |
| C24 | C26 | H58 | 111.2° | 109.5° |
| C24 | C26 | H59 | 107.8° | 109.4° |
| H56 | C24 | H57 | 107.0° | 109.5° |
| C25 | O27 | C29 | 121.5° | 106.8° |
| C28 | C26 | H58 | 110.4° | 109.5° |
| C28 | C26 | H59 | 110.3° | 109.5° |
| C26 | C28 | H60 | 111.1° | 109.5° |
| C26 | C28 | H61 | 111.9° | 109.4° |
| C26 | C28 | H62 | 109.6° | 109.5° |
| H58 | C26 | H59 | 106.9° | 109.5° |
| O27 | C29 | C30 | 113.2° | 109.4° |
| O27 | C29 | C31 | 122.8° | 109.5° |
| O27 | C29 | C32 | 103.4° | 109.5° |
| H60 | C28 | H61 | 108.8° | 109.4° |
| H60 | C28 | H62 | 108.4° | 109.4° |
| H61 | C28 | H62 | 106.8° | 109.6° |
| C30 | C29 | C31 | 104.4° | 109.5° |
| C30 | C29 | C32 | 109.8° | 109.4° |
| C29 | C30 | O33 | 124.0° | 120.0° |
| C29 | C30 | O34 | 116.3° | 120.0° |
| C31 | C29 | C32 | 102.4° | 109.5° |
| C29 | C31 | C35 | 122.8° | 109.5° |
| C29 | C31 | H63 | 107.8° | 109.5° |
| C29 | C31 | H64 | 108.6° | 109.5° |
| C29 | C32 | H65 | 111.7° | 109.4° |
| C29 | C32 | H66 | 110.5° | 109.5° |
| C29 | C32 | H67 | 111.7° | 109.5° |
| O33 | C30 | O34 | 119.7° | 119.9° |
| C30 | O33 | H33 | 124.0° | 120.1° |
| C35 | C31 | H63 | 106.3° | 109.4° |
| C35 | C31 | H64 | 105.7° | 109.4° |
| C31 | C35 | H69 | 108.2° | 109.5° |
| C31 | C35 | H70 | 115.6° | 109.5° |
| C31 | C35 | H71 | 110.3° | 109.5° |
| H63 | C31 | H64 | 104.2° | 109.5° |
| H65 | C32 | H66 | 107.3° | 109.4° |
| H65 | C32 | H67 | 107.7° | 109.5° |
| H66 | C32 | H67 | 107.7° | 109.6° |
| H69 | C35 | H70 | 102.9° | 109.5° |
| H69 | C35 | H71 | 111.0° | 109.5° |
| H70 | C35 | H71 | 108.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | C4 | 179.2° | 179.7° |
| C1 | N2 | C5 | H36 | 179.2° | 179.9° |
| N2 | C1 | C3 | C6 | 178.9° | 179.8° |
| N2 | C1 | C3 | F7 | 0.8° | 0.3° |
| N2 | C1 | C4 | C8 | 178.8° | 179.9° |
| N2 | C1 | C4 | H37 | 0.8° | 0.1° |
| C1 | N2 | C5 | N9 | 178.9° | 174.7° |
| C1 | N2 | C5 | O10 | 0.8° | 5.2° |
| C3 | C1 | N2 | C5 | 131.9° | 159.1° |
| C3 | C1 | N2 | H36 | 48.9° | 21.0° |
| C1 | C3 | C6 | F7 | 179.7° | 179.5° |
| C3 | C1 | C4 | C8 | 0.3° | 0.2° |
| C3 | C1 | C4 | H37 | 179.9° | 179.8° |
| C1 | C3 | C6 | C11 | 0.0° | 0.5° |
| C1 | C3 | C6 | H38 | 179.8° | 179.8° |
| C4 | C1 | N2 | C5 | 49.0° | 21.2° |
| C4 | C1 | N2 | H36 | 130.2° | 158.7° |
| C4 | C1 | C3 | C6 | 0.3° | 0.5° |
| C4 | C1 | C3 | F7 | 180.0° | 180.0° |
| C1 | C4 | C8 | H37 | 179.7° | 180.0° |
| C1 | C4 | C8 | C11 | 0.1° | 0.1° |
| C1 | C4 | C8 | H39 | 179.7° | 180.0° |
| N2 | C5 | N9 | O10 | 179.7° | 179.9° |
| N2 | C5 | N9 | C12 | 0.7° | 180.0° |
| N2 | C5 | N9 | C13 | 179.7° | 0.0° |
| H36 | N2 | C5 | N9 | 0.3° | 5.2° |
| H36 | N2 | C5 | O10 | 180.0° | 174.8° |
| C3 | C6 | C11 | H38 | 179.8° | 179.7° |
| C3 | C6 | C11 | C8 | 0.2° | 0.2° |
| C3 | C6 | C11 | F14 | 179.7° | 179.8° |
| F7 | C3 | C6 | C11 | 179.7° | 180.0° |
| F7 | C3 | C6 | H38 | 0.1° | 0.3° |
| C4 | C8 | C11 | C6 | 0.2° | 0.1° |
| C4 | C8 | C11 | H39 | 179.8° | 179.9° |
| C4 | C8 | C11 | F14 | 179.7° | 180.0° |
| H37 | C4 | C8 | C11 | 179.7° | 180.0° |
| H37 | C4 | C8 | H39 | 0.0° | 0.0° |
| C5 | N9 | C12 | C13 | 179.0° | 179.9° |
| C5 | N9 | C12 | C15 | 86.7° | 90.0° |
| C5 | N9 | C12 | H40 | 39.4° | 29.9° |
| C5 | N9 | C12 | H41 | 151.5° | 150.0° |
| C5 | N9 | C13 | C16 | 85.4° | 90.0° |
| C5 | N9 | C13 | H42 | 36.9° | 150.0° |
| C5 | N9 | C13 | H43 | 154.1° | 30.1° |
| O10 | C5 | N9 | C12 | 179.0° | 0.1° |
| O10 | C5 | N9 | C13 | 0.0° | 180.0° |
| C6 | C11 | C8 | F14 | 179.9° | 180.0° |
| C6 | C11 | C8 | H39 | 180.0° | 180.0° |
| H38 | C6 | C11 | C8 | 180.0° | 179.9° |
| H38 | C6 | C11 | F14 | 0.2° | 0.1° |
| H39 | C8 | C11 | F14 | 0.1° | 0.1° |
| N9 | C12 | C15 | H40 | 125.2° | 120.0° |
| N9 | C12 | C15 | H41 | 117.6° | 120.0° |
| N9 | C12 | H40 | H41 | 111.3° | 120.0° |
| C12 | N9 | C13 | C16 | 93.7° | 89.9° |
| C12 | N9 | C13 | H42 | 144.1° | 30.0° |
| C12 | N9 | C13 | H43 | 26.9° | 150.0° |
| N9 | C12 | C15 | C17 | 172.0° | 180.0° |
| N9 | C12 | C15 | H44 | 54.5° | 60.0° |
| N9 | C12 | C15 | H45 | 67.9° | 60.0° |
| C13 | N9 | C12 | C15 | 94.3° | 90.0° |
| C13 | N9 | C12 | H40 | 139.5° | 150.0° |
| C13 | N9 | C12 | H41 | 27.5° | 30.0° |
| N9 | C13 | C16 | H42 | 120.4° | 120.0° |
| N9 | C13 | C16 | H43 | 118.7° | 120.1° |
| N9 | C13 | H42 | H43 | 117.0° | 120.0° |
| N9 | C13 | C16 | C18 | 170.5° | 180.0° |
| N9 | C13 | C16 | H46 | 51.5° | 60.0° |
| N9 | C13 | C16 | H47 | 67.1° | 59.9° |
| C15 | C12 | H40 | H41 | 121.0° | 120.0° |
| C12 | C15 | C17 | H44 | 118.5° | 120.0° |
| C12 | C15 | C17 | H45 | 120.2° | 120.0° |
| C12 | C15 | H44 | H45 | 123.0° | 120.0° |
| C12 | C15 | C17 | C19 | 85.9° | 90.3° |
| C12 | C15 | C17 | C20 | 93.4° | 90.0° |
| H40 | C12 | C15 | C17 | 62.9° | 60.0° |
| H40 | C12 | C15 | H44 | 179.7° | 180.0° |
| H40 | C12 | C15 | H45 | 57.3° | 60.0° |
| H41 | C12 | C15 | C17 | 54.4° | 60.0° |
| H41 | C12 | C15 | H44 | 63.1° | 60.0° |
| H41 | C12 | C15 | H45 | 174.6° | 180.0° |
| C16 | C13 | H42 | H43 | 122.4° | 120.0° |
| C13 | C16 | C18 | H46 | 119.1° | 120.0° |
| C13 | C16 | C18 | H47 | 121.8° | 120.1° |
| C13 | C16 | H46 | H47 | 120.5° | 120.0° |
| C13 | C16 | C18 | C21 | 170.6° | 180.0° |
| C13 | C16 | C18 | H48 | 45.4° | 60.1° |
| C13 | C16 | C18 | H49 | 66.5° | 59.9° |
| H42 | C13 | C16 | C18 | 69.1° | 60.0° |
| H42 | C13 | C16 | H46 | 171.9° | 180.0° |
| H42 | C13 | C16 | H47 | 53.3° | 60.1° |
| H43 | C13 | C16 | C18 | 51.7° | 59.9° |
| H43 | C13 | C16 | H46 | 67.2° | 60.1° |
| H43 | C13 | C16 | H47 | 174.1° | NaN° |
| C17 | C15 | H44 | H45 | 122.0° | 120.0° |
| C15 | C17 | C19 | C20 | 179.3° | 179.8° |
| C15 | C17 | C19 | C22 | 178.5° | 179.7° |
| C15 | C17 | C19 | H50 | 0.7° | 0.2° |
| C15 | C17 | C20 | C23 | 178.9° | 180.0° |
| C15 | C17 | C20 | H51 | 0.7° | 0.0° |
| H44 | C15 | C17 | C19 | 32.7° | 149.7° |
| H44 | C15 | C17 | C20 | 148.0° | 30.0° |
| H45 | C15 | C17 | C19 | 154.0° | 29.7° |
| H45 | C15 | C17 | C20 | 26.7° | 150.0° |
| C18 | C16 | H46 | H47 | 121.6° | 120.0° |
| C16 | C18 | C21 | H48 | 124.3° | 120.0° |
| C16 | C18 | C21 | H49 | 120.6° | 120.0° |
| C16 | C18 | H48 | H49 | 113.3° | 119.9° |
| C16 | C18 | C21 | C24 | 166.6° | 180.0° |
| C16 | C18 | C21 | H52 | 46.2° | 60.0° |
| C16 | C18 | C21 | H53 | 73.3° | 60.0° |
| H46 | C16 | C18 | C21 | 70.3° | 60.0° |
| H46 | C16 | C18 | H48 | 164.5° | 180.0° |
| H46 | C16 | C18 | H49 | 52.6° | 60.0° |
| H47 | C16 | C18 | C21 | 48.8° | 59.9° |
| H47 | C16 | C18 | H48 | 76.4° | 60.0° |
| H47 | C16 | C18 | H49 | 171.7° | 180.0° |
| C17 | C19 | C22 | H50 | 179.2° | 179.6° |
| C19 | C17 | C20 | C23 | 0.4° | 0.3° |
| C19 | C17 | C20 | H51 | 180.0° | 179.7° |
| C17 | C19 | C22 | C25 | 0.3° | 0.5° |
| C17 | C19 | C22 | H54 | 179.1° | 179.7° |
| C20 | C17 | C19 | C22 | 0.8° | 0.5° |
| C20 | C17 | C19 | H50 | 180.0° | 179.9° |
| C17 | C20 | C23 | H51 | 179.6° | 180.0° |
| C17 | C20 | C23 | C25 | 0.5° | 0.0° |
| C17 | C20 | C23 | H55 | 179.6° | 179.9° |
| C21 | C18 | H48 | H49 | 119.0° | 120.1° |
| C18 | C21 | C24 | H52 | 121.5° | 120.0° |
| C18 | C21 | C24 | H53 | 121.4° | 120.1° |
| C18 | C21 | H52 | H53 | 121.9° | 120.1° |
| C18 | C21 | C24 | C26 | 168.3° | 180.0° |
| C18 | C21 | C24 | H56 | 48.4° | 60.0° |
| C18 | C21 | C24 | H57 | 67.9° | 60.0° |
| H48 | C18 | C21 | C24 | 69.1° | 60.0° |
| H48 | C18 | C21 | H52 | 170.5° | 180.0° |
| H48 | C18 | C21 | H53 | 51.1° | 60.0° |
| H49 | C18 | C21 | C24 | 46.0° | 60.0° |
| H49 | C18 | C21 | H52 | 74.4° | 60.0° |
| H49 | C18 | C21 | H53 | 166.2° | 180.0° |
| C19 | C22 | C25 | H54 | 179.4° | 179.8° |
| C19 | C22 | C25 | C23 | 0.6° | 0.2° |
| C19 | C22 | C25 | O27 | 179.1° | 179.8° |
| H50 | C19 | C22 | C25 | 179.5° | 180.0° |
| H50 | C19 | C22 | H54 | 0.1° | 0.1° |
| C20 | C23 | C25 | C22 | 1.0° | 0.0° |
| C20 | C23 | C25 | H55 | 179.1° | 179.9° |
| C20 | C23 | C25 | O27 | 178.6° | 180.0° |
| H51 | C20 | C23 | C25 | 179.1° | 180.0° |
| H51 | C20 | C23 | H55 | 0.0° | 0.1° |
| C24 | C21 | H52 | H53 | 118.5° | 119.9° |
| C21 | C24 | C26 | H56 | 119.7° | 120.0° |
| C21 | C24 | C26 | H57 | 124.4° | 120.0° |
| C21 | C24 | H56 | H57 | 118.4° | 120.0° |
| C21 | C24 | C26 | C28 | 154.8° | 180.0° |
| C21 | C24 | C26 | H58 | 82.5° | 60.0° |
| C21 | C24 | C26 | H59 | 34.4° | 60.0° |
| H52 | C21 | C24 | C26 | 70.2° | 60.0° |
| H52 | C21 | C24 | H56 | 169.9° | 180.0° |
| H52 | C21 | C24 | H57 | 53.6° | 60.0° |
| H53 | C21 | C24 | C26 | 46.9° | 59.9° |
| H53 | C21 | C24 | H56 | 73.0° | 60.0° |
| H53 | C21 | C24 | H57 | 170.7° | 179.9° |
| C22 | C25 | C23 | O27 | 179.6° | 180.0° |
| C22 | C25 | C23 | H55 | 179.9° | 180.0° |
| C22 | C25 | O27 | C29 | 129.3° | 99.3° |
| H54 | C22 | C25 | C23 | 180.0° | 180.0° |
| H54 | C22 | C25 | O27 | 0.3° | 0.1° |
| C23 | C25 | O27 | C29 | 50.3° | 80.7° |
| H55 | C23 | C25 | O27 | 0.5° | 0.1° |
| C26 | C24 | H56 | H57 | 117.2° | 120.0° |
| C24 | C26 | C28 | H58 | 123.2° | 120.0° |
| C24 | C26 | C28 | H59 | 118.9° | 120.0° |
| C24 | C26 | H58 | H59 | 117.4° | 120.0° |
| C24 | C26 | C28 | H60 | 174.5° | 180.0° |
| C24 | C26 | C28 | H61 | 52.6° | 60.1° |
| C24 | C26 | C28 | H62 | 65.7° | 60.1° |
| H56 | C24 | C26 | C28 | 35.1° | 60.0° |
| H56 | C24 | C26 | H58 | 157.8° | 180.0° |
| H56 | C24 | C26 | H59 | 85.4° | 60.0° |
| H57 | C24 | C26 | C28 | 80.8° | 60.0° |
| H57 | C24 | C26 | H58 | 41.9° | 60.0° |
| H57 | C24 | C26 | H59 | 158.8° | 180.0° |
| C25 | O27 | C29 | C30 | 73.5° | 66.0° |
| C25 | O27 | C29 | C31 | 53.1° | 174.0° |
| C25 | O27 | C29 | C32 | 167.7° | 53.9° |
| C28 | C26 | H58 | H59 | 120.0° | 120.0° |
| C26 | C28 | H60 | H61 | 123.7° | 119.9° |
| C26 | C28 | H60 | H62 | 120.5° | 120.0° |
| C26 | C28 | H61 | H62 | 119.9° | 120.1° |
| H58 | C26 | C28 | H60 | 62.3° | 60.0° |
| H58 | C26 | C28 | H61 | 175.8° | 59.9° |
| H58 | C26 | C28 | H62 | 57.5° | 179.9° |
| H59 | C26 | C28 | H60 | 55.7° | 60.1° |
| H59 | C26 | C28 | H61 | 66.2° | 180.0° |
| H59 | C26 | C28 | H62 | 175.5° | 59.9° |
| O27 | C29 | C30 | C31 | 135.9° | 120.0° |
| O27 | C29 | C30 | C32 | 115.0° | 120.0° |
| O27 | C29 | C31 | C32 | 115.1° | 120.1° |
| O27 | C29 | C30 | O33 | 142.1° | 172.1° |
| O27 | C29 | C30 | O34 | 38.6° | 8.0° |
| O27 | C29 | C31 | C35 | 39.2° | 60.0° |
| O27 | C29 | C31 | H63 | 84.7° | 60.0° |
| O27 | C29 | C31 | H64 | 163.0° | 180.0° |
| O27 | C29 | C32 | H65 | 178.6° | 49.1° |
| O27 | C29 | C32 | H66 | 59.3° | 169.0° |
| O27 | C29 | C32 | H67 | 60.6° | 70.9° |
| H60 | C28 | H61 | H62 | 116.9° | 120.0° |
| C30 | C29 | C31 | C32 | 114.5° | 120.0° |
| C29 | C30 | O33 | O34 | 179.3° | 179.9° |
| C30 | C29 | C31 | C35 | 91.3° | 60.0° |
| C30 | C29 | C31 | H63 | 144.8° | 180.0° |
| C30 | C29 | C31 | H64 | 32.5° | 60.0° |
| C30 | C29 | C32 | H65 | 60.3° | 169.1° |
| C30 | C29 | C32 | H66 | 179.6° | 71.0° |
| C30 | C29 | C32 | H67 | 60.5° | 49.1° |
| C29 | C30 | O33 | H33 | 180.0° | 180.0° |
| C31 | C29 | C30 | O33 | 6.2° | 67.9° |
| C31 | C29 | C30 | O34 | 174.5° | 112.0° |
| C29 | C31 | C35 | H63 | 124.5° | 120.0° |
| C29 | C31 | C35 | H64 | 125.1° | 120.0° |
| C29 | C31 | H63 | H64 | 115.2° | 120.0° |
| C31 | C29 | C32 | H65 | 50.1° | 70.9° |
| C31 | C29 | C32 | H66 | 69.2° | 48.9° |
| C31 | C29 | C32 | H67 | 170.9° | 169.1° |
| C29 | C31 | C35 | H69 | 146.5° | 180.0° |
| C29 | C31 | C35 | H70 | 31.8° | 59.9° |
| C29 | C31 | C35 | H71 | 92.0° | 60.0° |
| C32 | C29 | C30 | O33 | 102.9° | 52.1° |
| C32 | C29 | C30 | O34 | 76.4° | 128.0° |
| C32 | C29 | C31 | C35 | 154.3° | 180.0° |
| C32 | C29 | C31 | H63 | 30.4° | 60.1° |
| C32 | C29 | C31 | H64 | 82.0° | 60.0° |
| C29 | C32 | H65 | H66 | 121.2° | 119.9° |
| C29 | C32 | H65 | H67 | 123.0° | 120.0° |
| C29 | C32 | H66 | H67 | 122.3° | 120.0° |
| O34 | C30 | O33 | H33 | 0.7° | 0.1° |
| C35 | C31 | H63 | H64 | 111.4° | 119.9° |
| C31 | C35 | H69 | H70 | 122.8° | 120.0° |
| C31 | C35 | H69 | H71 | 121.1° | 120.1° |
| C31 | C35 | H70 | H71 | 124.6° | 119.9° |
| H63 | C31 | C35 | H69 | 89.0° | 59.9° |
| H63 | C31 | C35 | H70 | 156.3° | 60.1° |
| H63 | C31 | C35 | H71 | 32.6° | 180.0° |
| H64 | C31 | C35 | H69 | 21.4° | 60.0° |
| H64 | C31 | C35 | H70 | 93.3° | 179.9° |
| H64 | C31 | C35 | H71 | 142.9° | 60.0° |
| H65 | C32 | H66 | H67 | 115.7° | 120.0° |
| H69 | C35 | H70 | H71 | 117.7° | 120.0° |
