A1AUF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | C28 | sing | 1.51Å | 1.51Å | |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.31Å | 1.32Å | Aromatic |
| C28 | C27 | sing | 1.37Å | 1.37Å | Aromatic |
| N30 | C24 | doub | 1.34Å | 1.38Å | Aromatic |
| C27 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.42Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.36Å | Aromatic |
| C26 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | N20 | sing | 1.40Å | 1.40Å | |
| N20 | C2 | sing | 1.46Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | N6 | sing | 1.35Å | 1.35Å | |
| C4 | O5 | doub | 1.21Å | 1.23Å | |
| N6 | C7 | sing | 1.40Å | 1.42Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N13 | sing | 1.40Å | 1.42Å | |
| C10 | CL19 | sing | 1.74Å | 1.73Å | |
| C18 | N13 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.50Å | |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| C17 | O16 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| O16 | C15 | sing | 1.43Å | 1.42Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| C14 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.08Å | 1.08Å | |
| C9 | H38 | sing | 1.08Å | 1.08Å | |
| C12 | H39 | sing | 1.08Å | 1.08Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| C15 | H43 | sing | 1.09Å | 1.10Å | |
| C15 | H42 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| C17 | H45 | sing | 1.09Å | 1.10Å | |
| C18 | H47 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| N20 | H48 | sing | 0.97Å | 1.00Å | |
| C22 | H49 | sing | 1.08Å | 1.08Å | |
| C23 | H50 | sing | 1.08Å | 1.08Å | |
| C26 | H51 | sing | 1.08Å | 1.08Å | |
| C27 | H52 | sing | 1.08Å | 1.08Å | |
| C29 | H53 | sing | 1.08Å | 1.08Å | |
| C31 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| O32 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C31 | C28 | 114.4° | 109.5° |
| O32 | C31 | H55 | 108.2° | 109.5° |
| O32 | C31 | H54 | 108.2° | 109.5° |
| C31 | O32 | H56 | 109.5° | 114.0° |
| C31 | C28 | C29 | 121.1° | 120.0° |
| C31 | C28 | C27 | 121.7° | 120.1° |
| C28 | C31 | H55 | 108.2° | 109.5° |
| C28 | C31 | H54 | 108.2° | 109.4° |
| C28 | C29 | N30 | 125.1° | 121.8° |
| C29 | C28 | C27 | 117.1° | 119.9° |
| C28 | C29 | H53 | 117.5° | 119.1° |
| C29 | N30 | C24 | 117.8° | 121.4° |
| N30 | C29 | H53 | 117.4° | 119.2° |
| C28 | C27 | C25 | 121.4° | 118.2° |
| C28 | C27 | H52 | 119.3° | 120.9° |
| N30 | C24 | C25 | 121.7° | 119.8° |
| N30 | C24 | C23 | 119.3° | 120.9° |
| C27 | C25 | C24 | 116.9° | 119.0° |
| C27 | C25 | C26 | 124.1° | 121.3° |
| C25 | C27 | H52 | 119.3° | 120.9° |
| C25 | C24 | C23 | 119.0° | 119.3° |
| C24 | C25 | C26 | 118.9° | 119.7° |
| C24 | C23 | C22 | 120.6° | 119.9° |
| C24 | C23 | H50 | 119.7° | 120.0° |
| C25 | C26 | C21 | 120.6° | 119.5° |
| C25 | C26 | H51 | 119.7° | 120.3° |
| C23 | C22 | C21 | 121.0° | 121.1° |
| C23 | C22 | H49 | 119.5° | 119.5° |
| C22 | C23 | H50 | 119.7° | 120.0° |
| C26 | C21 | C22 | 119.6° | 120.5° |
| C26 | C21 | N20 | 122.7° | 119.7° |
| C21 | C26 | H51 | 119.7° | 120.3° |
| C22 | C21 | N20 | 117.7° | 119.8° |
| C21 | C22 | H49 | 119.5° | 119.5° |
| C21 | N20 | C2 | 124.8° | 120.0° |
| C21 | N20 | H48 | 105.5° | 120.0° |
| N20 | C2 | C1 | 109.9° | 109.5° |
| N20 | C2 | C4 | 107.4° | 109.5° |
| N20 | C2 | H3 | 110.6° | 109.5° |
| C2 | N20 | H48 | 105.5° | 120.0° |
| C1 | C2 | C4 | 110.1° | 109.5° |
| C2 | C1 | H35 | 109.5° | 109.5° |
| C2 | C1 | H34 | 109.5° | 109.4° |
| C2 | C1 | H33 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C4 | N6 | 115.4° | 120.0° |
| C2 | C4 | O5 | 120.4° | 120.0° |
| C4 | C2 | H3 | 109.4° | 109.5° |
| N6 | C4 | O5 | 124.1° | 120.0° |
| C4 | N6 | C7 | 129.0° | 120.0° |
| C4 | N6 | H36 | 115.5° | 120.0° |
| N6 | C7 | C8 | 116.8° | 120.1° |
| N6 | C7 | C12 | 123.9° | 120.0° |
| C7 | N6 | H36 | 115.5° | 120.0° |
| C8 | C7 | C12 | 119.2° | 119.9° |
| C7 | C8 | C9 | 120.4° | 120.1° |
| C7 | C8 | H37 | 119.8° | 119.9° |
| C7 | C12 | C11 | 120.9° | 119.9° |
| C7 | C12 | H39 | 119.5° | 120.1° |
| C8 | C9 | C10 | 120.1° | 120.1° |
| C9 | C8 | H37 | 119.8° | 119.9° |
| C8 | C9 | H38 | 120.0° | 120.0° |
| C12 | C11 | C10 | 118.5° | 119.9° |
| C12 | C11 | N13 | 121.7° | 120.1° |
| C11 | C12 | H39 | 119.6° | 120.0° |
| C9 | C10 | C11 | 120.8° | 120.1° |
| C9 | C10 | CL19 | 118.3° | 120.0° |
| C10 | C9 | H38 | 120.0° | 119.9° |
| C10 | C11 | N13 | 119.7° | 120.1° |
| C11 | C10 | CL19 | 120.8° | 119.9° |
| C11 | N13 | C18 | 118.8° | 111.0° |
| C11 | N13 | C14 | 118.4° | 111.0° |
| N13 | C18 | C17 | 109.3° | 109.2° |
| C18 | N13 | C14 | 111.5° | 110.8° |
| N13 | C18 | H47 | 109.5° | 109.5° |
| N13 | C18 | H46 | 109.5° | 109.5° |
| C18 | C17 | O16 | 111.5° | 109.3° |
| C18 | C17 | H44 | 109.0° | 109.5° |
| C18 | C17 | H45 | 108.9° | 109.5° |
| C17 | C18 | H47 | 109.5° | 109.5° |
| C17 | C18 | H46 | 109.5° | 109.5° |
| N13 | C14 | C15 | 109.2° | 109.3° |
| N13 | C14 | H41 | 109.5° | 109.5° |
| N13 | C14 | H40 | 109.5° | 109.6° |
| C17 | O16 | C15 | 109.7° | 113.7° |
| O16 | C17 | H44 | 109.0° | 109.5° |
| O16 | C17 | H45 | 109.0° | 109.5° |
| C14 | C15 | O16 | 111.5° | 109.3° |
| C15 | C14 | H41 | 109.5° | 109.5° |
| C15 | C14 | H40 | 109.6° | 109.4° |
| C14 | C15 | H43 | 108.9° | 109.5° |
| C14 | C15 | H42 | 108.9° | 109.5° |
| O16 | C15 | H43 | 109.0° | 109.5° |
| O16 | C15 | H42 | 109.0° | 109.6° |
| H41 | C14 | H40 | 109.5° | 109.5° |
| H35 | C1 | H34 | 109.5° | 109.4° |
| H35 | C1 | H33 | 109.4° | 109.5° |
| H34 | C1 | H33 | 109.5° | 109.4° |
| H43 | C15 | H42 | 109.5° | 109.5° |
| H44 | C17 | H45 | 109.5° | 109.5° |
| H47 | C18 | H46 | 109.5° | 109.6° |
| H55 | C31 | H54 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C31 | C28 | H55 | 120.7° | 120.0° |
| O32 | C31 | C28 | H54 | 120.7° | 120.0° |
| O32 | C31 | C28 | C29 | 151.2° | 90.0° |
| O32 | C31 | C28 | C27 | 34.0° | 90.0° |
| O32 | C31 | H55 | H54 | 117.7° | 120.0° |
| C31 | C28 | C29 | C27 | 175.0° | 180.0° |
| C31 | C28 | C29 | N30 | 175.6° | 179.7° |
| C31 | C28 | C27 | C25 | 173.4° | 180.0° |
| C31 | C28 | C27 | H52 | 6.6° | 0.0° |
| C31 | C28 | C29 | H53 | 4.4° | 0.0° |
| C28 | C31 | H55 | H54 | 117.7° | 120.0° |
| C28 | C31 | O32 | H56 | 180.0° | 179.9° |
| C28 | C29 | N30 | H53 | 180.0° | 179.7° |
| C28 | C29 | N30 | C24 | 0.9° | 0.6° |
| C29 | C28 | C27 | C25 | 1.6° | 0.0° |
| C29 | C28 | C27 | H52 | 178.4° | 180.0° |
| C29 | C28 | C31 | H55 | 30.4° | 30.0° |
| C29 | C28 | C31 | H54 | 88.1° | 150.0° |
| N30 | C29 | C28 | C27 | 0.6° | 0.3° |
| C29 | N30 | C24 | C25 | 1.1° | 0.6° |
| C29 | N30 | C24 | C23 | 178.6° | 179.8° |
| C28 | C27 | C25 | H52 | 180.0° | 180.0° |
| C28 | C27 | C25 | C24 | 3.3° | 0.0° |
| C28 | C27 | C25 | C26 | 172.3° | 179.8° |
| C27 | C28 | C29 | H53 | 179.4° | 180.0° |
| C27 | C28 | C31 | H55 | 154.8° | 150.0° |
| C27 | C28 | C31 | H54 | 86.7° | 30.0° |
| N30 | C24 | C25 | C27 | 3.1° | 0.3° |
| N30 | C24 | C25 | C23 | 177.5° | 179.6° |
| N30 | C24 | C25 | C26 | 172.8° | 179.9° |
| N30 | C24 | C23 | C22 | 174.2° | 179.7° |
| N30 | C24 | C23 | H50 | 5.8° | 0.4° |
| C24 | N30 | C29 | H53 | 179.1° | 179.7° |
| C27 | C25 | C24 | C26 | 175.9° | 179.8° |
| C27 | C25 | C24 | C23 | 179.4° | 179.9° |
| C27 | C25 | C26 | C21 | 176.7° | 179.8° |
| C27 | C25 | C26 | H51 | 3.3° | 0.2° |
| C25 | C24 | C23 | C22 | 3.4° | 0.1° |
| C24 | C25 | C26 | C21 | 1.1° | 0.4° |
| C25 | C24 | C23 | H50 | 176.6° | 180.0° |
| C24 | C25 | C26 | H51 | 178.9° | 179.9° |
| C24 | C25 | C27 | H52 | 176.6° | 180.0° |
| C23 | C24 | C25 | C26 | 4.6° | 0.3° |
| C24 | C23 | C22 | H50 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 1.6° | 0.0° |
| C24 | C23 | C22 | H49 | 178.4° | 179.9° |
| C25 | C26 | C21 | H51 | 180.0° | 179.7° |
| C25 | C26 | C21 | C22 | 3.9° | 0.4° |
| C25 | C26 | C21 | N20 | 175.6° | 179.8° |
| C26 | C25 | C27 | H52 | 7.7° | 0.2° |
| C23 | C22 | C21 | C26 | 5.2° | 0.2° |
| C23 | C22 | C21 | H49 | 180.0° | 179.9° |
| C23 | C22 | C21 | N20 | 174.2° | 180.0° |
| C26 | C21 | C22 | N20 | 179.4° | 179.8° |
| C26 | C21 | N20 | C2 | 7.3° | 179.8° |
| C26 | C21 | N20 | H48 | 114.8° | 0.2° |
| C26 | C21 | C22 | H49 | 174.8° | 179.8° |
| C22 | C21 | N20 | C2 | 172.2° | 0.0° |
| C22 | C21 | N20 | H48 | 65.8° | 179.9° |
| C21 | C22 | C23 | H50 | 178.4° | 179.9° |
| C22 | C21 | C26 | H51 | 176.1° | 180.0° |
| C21 | N20 | C2 | H48 | 122.1° | 180.0° |
| C21 | N20 | C2 | C1 | 163.2° | 85.0° |
| C21 | N20 | C2 | C4 | 77.1° | 155.0° |
| C21 | N20 | C2 | H3 | 42.2° | 35.0° |
| N20 | C21 | C22 | H49 | 5.8° | 0.1° |
| N20 | C21 | C26 | H51 | 4.5° | 0.1° |
| N20 | C2 | C1 | C4 | 118.1° | 120.0° |
| N20 | C2 | C1 | H3 | 121.7° | 120.0° |
| N20 | C2 | C4 | H3 | 120.1° | 120.0° |
| N20 | C2 | C4 | N6 | 161.9° | 180.0° |
| N20 | C2 | C4 | O5 | 17.3° | 0.3° |
| N20 | C2 | C1 | H35 | 180.0° | 60.0° |
| N20 | C2 | C1 | H34 | 60.0° | 180.0° |
| N20 | C2 | C1 | H33 | 60.0° | 60.1° |
| C1 | C2 | C4 | H3 | 120.3° | 120.0° |
| C1 | C2 | C4 | N6 | 78.5° | 60.0° |
| C1 | C2 | C4 | O5 | 102.3° | 120.2° |
| C2 | C1 | H35 | H34 | 120.0° | 120.0° |
| C2 | C1 | H35 | H33 | 120.0° | 120.1° |
| C2 | C1 | H34 | H33 | 120.0° | 120.0° |
| C1 | C2 | N20 | H48 | 41.1° | 95.0° |
| C2 | C4 | N6 | O5 | 179.2° | 179.8° |
| C2 | C4 | N6 | C7 | 178.6° | 175.7° |
| C4 | C2 | C1 | H35 | 61.9° | 59.9° |
| C4 | C2 | C1 | H34 | 178.1° | 60.0° |
| C4 | C2 | C1 | H33 | 58.0° | 180.0° |
| C2 | C4 | N6 | H36 | 1.4° | 4.4° |
| C4 | C2 | N20 | H48 | 160.8° | 25.0° |
| C4 | N6 | C7 | H36 | 180.0° | 179.9° |
| C4 | N6 | C7 | C8 | 179.2° | 35.0° |
| C4 | N6 | C7 | C12 | 4.5° | 144.7° |
| N6 | C4 | C2 | H3 | 41.9° | 60.0° |
| O5 | C4 | N6 | C7 | 0.6° | 4.6° |
| O5 | C4 | C2 | H3 | 137.4° | 119.7° |
| O5 | C4 | N6 | H36 | 179.3° | 175.3° |
| N6 | C7 | C8 | C12 | 176.5° | 179.7° |
| N6 | C7 | C8 | C9 | 176.0° | 180.0° |
| N6 | C7 | C12 | C11 | 174.4° | 179.7° |
| N6 | C7 | C8 | H37 | 4.0° | 0.3° |
| N6 | C7 | C12 | H39 | 5.6° | 0.3° |
| C7 | C8 | C9 | H37 | 180.0° | 179.7° |
| C8 | C7 | C12 | C11 | 1.7° | 0.0° |
| C7 | C8 | C9 | C10 | 1.1° | 0.6° |
| C7 | C8 | C9 | H38 | 178.9° | 180.0° |
| C8 | C7 | C12 | H39 | 178.2° | 180.0° |
| C8 | C7 | N6 | H36 | 0.8° | 144.9° |
| C12 | C7 | C8 | C9 | 0.4° | 0.3° |
| C7 | C12 | C11 | H39 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 1.5° | 0.0° |
| C7 | C12 | C11 | N13 | 177.8° | 179.8° |
| C12 | C7 | C8 | H37 | 179.6° | 180.0° |
| C12 | C7 | N6 | H36 | 175.4° | 35.4° |
| C8 | C9 | C10 | H38 | 180.0° | 179.4° |
| C8 | C9 | C10 | C11 | 1.3° | 0.5° |
| C8 | C9 | C10 | CL19 | 177.7° | 179.5° |
| C12 | C11 | C10 | C9 | 0.0° | 0.3° |
| C12 | C11 | C10 | N13 | 179.3° | 179.8° |
| C12 | C11 | C10 | CL19 | 179.0° | 179.8° |
| C12 | C11 | N13 | C18 | 34.7° | 63.4° |
| C12 | C11 | N13 | C14 | 105.8° | 60.3° |
| C9 | C10 | C11 | CL19 | 179.0° | 180.0° |
| C9 | C10 | C11 | N13 | 179.4° | 180.0° |
| C10 | C9 | C8 | H37 | 178.9° | 179.7° |
| C10 | C11 | N13 | C18 | 146.0° | 116.4° |
| C10 | C11 | N13 | C14 | 73.5° | 120.0° |
| C11 | C10 | C9 | H38 | 178.7° | 179.9° |
| C10 | C11 | C12 | H39 | 178.5° | 180.0° |
| N13 | C11 | C10 | CL19 | 0.3° | 0.0° |
| C11 | N13 | C18 | C14 | 143.0° | 123.8° |
| C11 | N13 | C18 | C17 | 161.6° | 177.6° |
| C11 | N13 | C14 | C15 | 162.1° | 177.6° |
| C11 | N13 | C14 | H41 | 42.1° | 57.7° |
| C11 | N13 | C14 | H40 | 78.0° | 62.5° |
| N13 | C11 | C12 | H39 | 2.2° | 0.3° |
| C11 | N13 | C18 | H47 | 78.4° | 62.5° |
| C11 | N13 | C18 | H46 | 41.6° | 57.7° |
| CL19 | C10 | C9 | H38 | 2.3° | 0.1° |
| N13 | C18 | C17 | H47 | 120.0° | 119.9° |
| N13 | C18 | C17 | H46 | 120.0° | 119.9° |
| N13 | C18 | C17 | O16 | 58.0° | 56.9° |
| C18 | N13 | C14 | C15 | 54.8° | 58.6° |
| C18 | N13 | C14 | H41 | 174.7° | 178.5° |
| C18 | N13 | C14 | H40 | 65.2° | 61.3° |
| N13 | C18 | C17 | H44 | 178.3° | 63.1° |
| N13 | C18 | C17 | H45 | 62.3° | 176.8° |
| N13 | C18 | H47 | H46 | 120.1° | 120.1° |
| C17 | C18 | N13 | C14 | 55.4° | 58.6° |
| C18 | C17 | O16 | H44 | 120.3° | 120.0° |
| C18 | C17 | O16 | H45 | 120.3° | 120.0° |
| C18 | C17 | O16 | C15 | 60.3° | 58.7° |
| C18 | C17 | H44 | H45 | 119.0° | 120.1° |
| C17 | C18 | H47 | H46 | 120.1° | 120.1° |
| N13 | C14 | C15 | H41 | 120.0° | 120.0° |
| N13 | C14 | C15 | H40 | 119.9° | 120.0° |
| N13 | C14 | C15 | O16 | 56.8° | 56.8° |
| N13 | C14 | H41 | H40 | 120.1° | 120.2° |
| N13 | C14 | C15 | H43 | 63.5° | 63.1° |
| N13 | C14 | C15 | H42 | 177.1° | 176.9° |
| C14 | N13 | C18 | H47 | 64.6° | 61.3° |
| C14 | N13 | C18 | H46 | 175.3° | 178.5° |
| C17 | O16 | C15 | C14 | 59.7° | 58.6° |
| C17 | O16 | C15 | H43 | 60.6° | 61.3° |
| C17 | O16 | C15 | H42 | 180.0° | 178.6° |
| O16 | C17 | H44 | H45 | 119.1° | 120.1° |
| O16 | C17 | C18 | H47 | 62.0° | 63.1° |
| O16 | C17 | C18 | H46 | 177.9° | 176.8° |
| C14 | C15 | O16 | H43 | 120.3° | 119.9° |
| C14 | C15 | O16 | H42 | 120.3° | 120.0° |
| C15 | C14 | H41 | H40 | 120.1° | 120.0° |
| C14 | C15 | H43 | H42 | 119.1° | 120.1° |
| O16 | C15 | C14 | H41 | 176.8° | 176.8° |
| O16 | C15 | C14 | H40 | 63.1° | 63.2° |
| O16 | C15 | H43 | H42 | 119.1° | 120.2° |
| C15 | O16 | C17 | H44 | 179.4° | 61.3° |
| C15 | O16 | C17 | H45 | 60.0° | 178.6° |
| H41 | C14 | C15 | H43 | 56.5° | 56.9° |
| H41 | C14 | C15 | H42 | 62.9° | 63.2° |
| H40 | C14 | C15 | H43 | 176.6° | 176.9° |
| H40 | C14 | C15 | H42 | 57.2° | 56.9° |
| H37 | C8 | C9 | H38 | 1.1° | 0.3° |
| H35 | C1 | H34 | H33 | 120.0° | 120.0° |
| H35 | C1 | C2 | H3 | 58.3° | 179.9° |
| H34 | C1 | C2 | H3 | 61.7° | 60.0° |
| H33 | C1 | C2 | H3 | 178.3° | 60.0° |
| H3 | C2 | N20 | H48 | 79.9° | 145.0° |
| H44 | C17 | C18 | H47 | 58.3° | 177.0° |
| H44 | C17 | C18 | H46 | 61.7° | 56.8° |
| H45 | C17 | C18 | H47 | 177.7° | 56.9° |
| H45 | C17 | C18 | H46 | 57.6° | 63.3° |
| H49 | C22 | C23 | H50 | 1.6° | 0.0° |
| H55 | C31 | O32 | H56 | 59.3° | 60.0° |
| H54 | C31 | O32 | H56 | 59.3° | 60.0° |
