8KA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| C2 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C3 | sing | 1.53Å | 1.54Å | |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C1 | sing | 1.53Å | 1.56Å | |
| C8 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C1 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C11 | sing | 1.51Å | 1.58Å | |
| C1 | C12 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C25 | sing | 1.48Å | 1.49Å | |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | F31 | sing | 1.35Å | 1.36Å | |
| C28 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | O15 | doub | 1.21Å | 1.22Å | |
| C13 | N14 | sing | 1.35Å | 1.35Å | |
| N14 | C18 | sing | 1.47Å | 1.47Å | |
| N14 | C16 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.54Å | 1.59Å | |
| C17 | O19 | sing | 1.43Å | 1.44Å | |
| C18 | H52 | sing | 1.09Å | 1.10Å | |
| C18 | H51 | sing | 1.09Å | 1.10Å | |
| C17 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H49 | sing | 1.09Å | 1.10Å | |
| C16 | H48 | sing | 1.09Å | 1.10Å | |
| C20 | H54 | sing | 1.08Å | 1.08Å | |
| C21 | H55 | sing | 1.08Å | 1.08Å | |
| C23 | H56 | sing | 1.08Å | 1.08Å | |
| C24 | H57 | sing | 1.08Å | 1.08Å | |
| C12 | H46 | sing | 1.09Å | 1.10Å | |
| C12 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H59 | sing | 1.08Å | 1.08Å | |
| C2 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C10 | H44 | sing | 1.09Å | 1.10Å | |
| C10 | H45 | sing | 1.09Å | 1.10Å | |
| O19 | H53 | sing | 0.97Å | 0.95Å | |
| C26 | H58 | sing | 1.08Å | 1.08Å | |
| C29 | H60 | sing | 1.08Å | 1.08Å | |
| C30 | H61 | sing | 1.08Å | 1.08Å | |
| O32 | H62 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C2 | C7 | 110.6° | 109.5° |
| O32 | C2 | C9 | 111.1° | 109.5° |
| O32 | C2 | H33 | 109.4° | 109.5° |
| C2 | O32 | H62 | 109.5° | 114.0° |
| C7 | C2 | C9 | 109.5° | 109.5° |
| C2 | C7 | C5 | 109.3° | 109.5° |
| C2 | C7 | C6 | 109.3° | 109.5° |
| C7 | C2 | H33 | 108.1° | 109.4° |
| C2 | C7 | H40 | 109.7° | 109.5° |
| C2 | C9 | C10 | 109.9° | 109.4° |
| C2 | C9 | C8 | 109.0° | 109.5° |
| C9 | C2 | H33 | 108.1° | 109.4° |
| C2 | C9 | H43 | 109.7° | 109.5° |
| C5 | C7 | C6 | 109.1° | 109.5° |
| C7 | C5 | C3 | 110.5° | 109.4° |
| C7 | C5 | H36 | 109.2° | 109.5° |
| C7 | C5 | H37 | 109.2° | 109.5° |
| C5 | C7 | H40 | 109.7° | 109.4° |
| C7 | C6 | C4 | 109.7° | 109.4° |
| C7 | C6 | H38 | 109.4° | 109.5° |
| C7 | C6 | H39 | 109.4° | 109.5° |
| C6 | C7 | H40 | 109.7° | 109.5° |
| C5 | C3 | C10 | 107.3° | 109.5° |
| C5 | C3 | C1 | 110.9° | 109.5° |
| C5 | C3 | H34 | 109.3° | 109.5° |
| C3 | C5 | H36 | 109.2° | 109.4° |
| C3 | C5 | H37 | 109.2° | 109.5° |
| C6 | C4 | C8 | 108.2° | 109.5° |
| C6 | C4 | C1 | 110.9° | 109.5° |
| C6 | C4 | H35 | 109.0° | 109.5° |
| C4 | C6 | H38 | 109.4° | 109.4° |
| C4 | C6 | H39 | 109.4° | 109.4° |
| C10 | C9 | C8 | 108.9° | 109.5° |
| C9 | C10 | C3 | 110.2° | 109.5° |
| C10 | C9 | H43 | 109.6° | 109.4° |
| C9 | C10 | H44 | 109.3° | 109.5° |
| C9 | C10 | H45 | 109.3° | 109.5° |
| C9 | C8 | C4 | 110.1° | 109.5° |
| C9 | C8 | H42 | 109.3° | 109.4° |
| C9 | C8 | H41 | 109.3° | 109.4° |
| C8 | C9 | H43 | 109.7° | 109.5° |
| C10 | C3 | C1 | 111.1° | 109.5° |
| C10 | C3 | H34 | 109.3° | 109.4° |
| C3 | C10 | H44 | 109.3° | 109.5° |
| C3 | C10 | H45 | 109.3° | 109.5° |
| C3 | C1 | C4 | 105.7° | 109.5° |
| C3 | C1 | C11 | 112.8° | 109.4° |
| C3 | C1 | C12 | 110.7° | 109.5° |
| C1 | C3 | H34 | 109.0° | 109.5° |
| C8 | C4 | C1 | 111.0° | 109.5° |
| C8 | C4 | H35 | 109.0° | 109.4° |
| C4 | C8 | H42 | 109.3° | 109.5° |
| C4 | C8 | H41 | 109.3° | 109.5° |
| C4 | C1 | C11 | 111.6° | 109.5° |
| C4 | C1 | C12 | 113.0° | 109.5° |
| C1 | C4 | H35 | 108.8° | 109.5° |
| C21 | C20 | C11 | 121.3° | 120.2° |
| C20 | C21 | C22 | 121.3° | 119.8° |
| C21 | C20 | H54 | 119.3° | 119.9° |
| C20 | C21 | H55 | 119.3° | 120.1° |
| C20 | C11 | C1 | 121.2° | 119.9° |
| C20 | C11 | C24 | 117.4° | 120.2° |
| C11 | C20 | H54 | 119.3° | 119.9° |
| C11 | C1 | C12 | 103.2° | 109.4° |
| C1 | C11 | C24 | 121.3° | 119.9° |
| C1 | C12 | C13 | 117.5° | 109.5° |
| C1 | C12 | H46 | 107.4° | 109.5° |
| C1 | C12 | H47 | 107.4° | 109.4° |
| C21 | C22 | C23 | 117.4° | 119.7° |
| C21 | C22 | C25 | 121.1° | 120.1° |
| C22 | C21 | H55 | 119.3° | 120.1° |
| C11 | C24 | C23 | 121.3° | 120.1° |
| C11 | C24 | H57 | 119.3° | 119.9° |
| C29 | C30 | C25 | 121.3° | 119.9° |
| C30 | C29 | C28 | 118.4° | 120.1° |
| C30 | C29 | H60 | 120.8° | 120.0° |
| C29 | C30 | H61 | 119.3° | 120.0° |
| C30 | C25 | C22 | 121.2° | 120.1° |
| C30 | C25 | C26 | 117.8° | 119.9° |
| C25 | C30 | H61 | 119.4° | 120.1° |
| C29 | C28 | F31 | 118.5° | 119.9° |
| C29 | C28 | C27 | 122.9° | 120.2° |
| C28 | C29 | H60 | 120.8° | 119.9° |
| C23 | C22 | C25 | 121.4° | 120.1° |
| C22 | C23 | C24 | 121.2° | 119.9° |
| C22 | C23 | H56 | 119.4° | 120.0° |
| C22 | C25 | C26 | 121.0° | 120.1° |
| C24 | C23 | H56 | 119.4° | 120.0° |
| C23 | C24 | H57 | 119.3° | 119.9° |
| C25 | C26 | C27 | 121.4° | 119.9° |
| C25 | C26 | H58 | 119.3° | 120.1° |
| F31 | C28 | C27 | 118.6° | 119.9° |
| C28 | C27 | C26 | 118.1° | 120.1° |
| C28 | C27 | H59 | 120.9° | 120.0° |
| C26 | C27 | H59 | 120.9° | 119.9° |
| C27 | C26 | H58 | 119.3° | 120.0° |
| C12 | C13 | O15 | 119.7° | 120.0° |
| C12 | C13 | N14 | 118.5° | 120.0° |
| C13 | C12 | H46 | 107.4° | 109.4° |
| C13 | C12 | H47 | 107.4° | 109.5° |
| O15 | C13 | N14 | 121.6° | 120.0° |
| C13 | N14 | C18 | 133.3° | 136.1° |
| C13 | N14 | C16 | 132.0° | 136.1° |
| C18 | N14 | C16 | 94.6° | 87.9° |
| N14 | C18 | C17 | 88.3° | 88.0° |
| N14 | C18 | H52 | 114.5° | 113.4° |
| N14 | C18 | H51 | 114.5° | 113.5° |
| N14 | C16 | C17 | 87.5° | 88.0° |
| N14 | C16 | H49 | 114.7° | 113.4° |
| N14 | C16 | H48 | 114.6° | 113.5° |
| C18 | C17 | C16 | 86.1° | 83.4° |
| C18 | C17 | O19 | 114.1° | 114.3° |
| C17 | C18 | H52 | 114.5° | 113.4° |
| C17 | C18 | H51 | 114.5° | 113.5° |
| C18 | C17 | H50 | 113.3° | 114.2° |
| C16 | C17 | O19 | 111.4° | 114.2° |
| C16 | C17 | H50 | 113.0° | 114.4° |
| C17 | C16 | H49 | 114.6° | 113.4° |
| C17 | C16 | H48 | 114.6° | 113.5° |
| O19 | C17 | H50 | 115.5° | 113.3° |
| C17 | O19 | H53 | 109.5° | 114.1° |
| H52 | C18 | H51 | 109.5° | 112.8° |
| H49 | C16 | H48 | 109.5° | 112.8° |
| H46 | C12 | H47 | 109.4° | 109.5° |
| H36 | C5 | H37 | 109.4° | 109.5° |
| H38 | C6 | H39 | 109.5° | 109.5° |
| H42 | C8 | H41 | 109.5° | 109.5° |
| H44 | C10 | H45 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C2 | C7 | C9 | 122.7° | 120.1° |
| O32 | C2 | C7 | H33 | 119.8° | 120.0° |
| O32 | C2 | C9 | H33 | 120.1° | 120.0° |
| O32 | C2 | C7 | C5 | 63.8° | 60.0° |
| O32 | C2 | C7 | C6 | 176.8° | 180.0° |
| O32 | C2 | C9 | C10 | 63.5° | 60.1° |
| O32 | C2 | C9 | C8 | 177.2° | 180.0° |
| O32 | C2 | C7 | H40 | 56.5° | 59.9° |
| O32 | C2 | C9 | H43 | 57.1° | 59.9° |
| C7 | C2 | C9 | H33 | 117.5° | 119.9° |
| C2 | C7 | C5 | C6 | 119.5° | 120.1° |
| C2 | C7 | C5 | H40 | 120.4° | 119.9° |
| C2 | C7 | C6 | H40 | 120.3° | 120.0° |
| C2 | C7 | C5 | C3 | 60.9° | 60.1° |
| C2 | C7 | C6 | C4 | 60.6° | 60.0° |
| C7 | C2 | C9 | C10 | 58.9° | 60.0° |
| C7 | C2 | C9 | C8 | 60.4° | 59.9° |
| C2 | C7 | C5 | H36 | 59.2° | 180.0° |
| C2 | C7 | C5 | H37 | 178.9° | 59.9° |
| C2 | C7 | C6 | H38 | 179.4° | 59.9° |
| C2 | C7 | C6 | H39 | 59.4° | 180.0° |
| C7 | C2 | C9 | H43 | 179.5° | 180.0° |
| C7 | C2 | O32 | H62 | 180.0° | 180.0° |
| C9 | C2 | C7 | C5 | 58.9° | 60.1° |
| C9 | C2 | C7 | C6 | 60.4° | 60.0° |
| C2 | C9 | C10 | C8 | 119.4° | 120.0° |
| C2 | C9 | C10 | H43 | 120.6° | 120.0° |
| C2 | C9 | C8 | H43 | 120.1° | 120.1° |
| C2 | C9 | C10 | C3 | 60.4° | 60.0° |
| C2 | C9 | C8 | C4 | 60.8° | 60.0° |
| C9 | C2 | C7 | H40 | 179.3° | 180.0° |
| C2 | C9 | C8 | H42 | 59.4° | 180.0° |
| C2 | C9 | C8 | H41 | 179.2° | 60.1° |
| C2 | C9 | C10 | H44 | 179.4° | 60.0° |
| C2 | C9 | C10 | H45 | 59.7° | 180.0° |
| C9 | C2 | O32 | H62 | 58.2° | 59.9° |
| C5 | C7 | C6 | H40 | 120.2° | 119.9° |
| C7 | C5 | C3 | H36 | 120.2° | 120.0° |
| C7 | C5 | C3 | H37 | 120.2° | 120.0° |
| C5 | C7 | C6 | C4 | 58.9° | 60.0° |
| C7 | C5 | C3 | C10 | 60.8° | 60.0° |
| C7 | C5 | C3 | C1 | 60.7° | 60.0° |
| C5 | C7 | C2 | H33 | 176.4° | 180.0° |
| C7 | C5 | C3 | H34 | 179.2° | 180.0° |
| C7 | C5 | H36 | H37 | 119.5° | 120.1° |
| C5 | C7 | C6 | H38 | 61.1° | 180.0° |
| C5 | C7 | C6 | H39 | 178.9° | 59.9° |
| C6 | C7 | C5 | C3 | 58.6° | 60.0° |
| C7 | C6 | C4 | H38 | 120.0° | 120.0° |
| C7 | C6 | C4 | H39 | 120.0° | 120.0° |
| C7 | C6 | C4 | C8 | 60.0° | 60.0° |
| C7 | C6 | C4 | C1 | 62.0° | 60.0° |
| C6 | C7 | C2 | H33 | 57.0° | 59.9° |
| C7 | C6 | C4 | H35 | 178.4° | 180.0° |
| C6 | C7 | C5 | H36 | 178.7° | 59.9° |
| C6 | C7 | C5 | H37 | 61.6° | 180.0° |
| C7 | C6 | H38 | H39 | 119.9° | 120.1° |
| C5 | C3 | C10 | C9 | 60.3° | 60.0° |
| C5 | C3 | C10 | C1 | 121.3° | 120.0° |
| C5 | C3 | C10 | H34 | 118.4° | 120.0° |
| C5 | C3 | C1 | H34 | 120.3° | 120.0° |
| C5 | C3 | C1 | C4 | 59.7° | 60.0° |
| C5 | C3 | C1 | C11 | 62.5° | 60.0° |
| C5 | C3 | C1 | C12 | 177.6° | 180.0° |
| C3 | C5 | H36 | H37 | 119.6° | 120.0° |
| C3 | C5 | C7 | H40 | 178.7° | 180.0° |
| C5 | C3 | C10 | H44 | 179.6° | 59.9° |
| C5 | C3 | C10 | H45 | 59.8° | 180.0° |
| C6 | C4 | C8 | C9 | 60.3° | 60.0° |
| C6 | C4 | C1 | C3 | 60.6° | 60.0° |
| C6 | C4 | C8 | C1 | 121.9° | 120.0° |
| C6 | C4 | C8 | H35 | 118.4° | 120.0° |
| C6 | C4 | C1 | H35 | 119.8° | 120.0° |
| C6 | C4 | C1 | C11 | 62.4° | 60.0° |
| C6 | C4 | C1 | C12 | 178.2° | 180.0° |
| C4 | C6 | H38 | H39 | 119.9° | 119.9° |
| C4 | C6 | C7 | H40 | 179.1° | 180.0° |
| C6 | C4 | C8 | H42 | 59.8° | 180.0° |
| C6 | C4 | C8 | H41 | 179.6° | 60.0° |
| C10 | C9 | C8 | H43 | 120.0° | 120.0° |
| C9 | C10 | C3 | H44 | 120.1° | 120.0° |
| C9 | C10 | C3 | H45 | 120.1° | 120.0° |
| C9 | C10 | C3 | C1 | 61.0° | 60.0° |
| C10 | C9 | C8 | C4 | 59.1° | 60.0° |
| C10 | C9 | C2 | H33 | 176.4° | 180.0° |
| C9 | C10 | C3 | H34 | 178.7° | 180.0° |
| C10 | C9 | C8 | H42 | 179.2° | 60.0° |
| C10 | C9 | C8 | H41 | 60.9° | 180.0° |
| C9 | C10 | H44 | H45 | 119.6° | 120.0° |
| C8 | C9 | C10 | C3 | 58.9° | 60.0° |
| C9 | C8 | C4 | H42 | 120.1° | 120.0° |
| C9 | C8 | C4 | H41 | 120.1° | 120.0° |
| C9 | C8 | C4 | C1 | 61.6° | 60.0° |
| C8 | C9 | C2 | H33 | 57.1° | 60.0° |
| C9 | C8 | C4 | H35 | 178.7° | 180.0° |
| C9 | C8 | H42 | H41 | 119.7° | 120.0° |
| C8 | C9 | C10 | H44 | 61.2° | 180.0° |
| C8 | C9 | C10 | H45 | 179.1° | 60.0° |
| C10 | C3 | C1 | H34 | 120.5° | 120.0° |
| C10 | C3 | C1 | C4 | 59.5° | 60.0° |
| C10 | C3 | C1 | C11 | 178.2° | 180.0° |
| C10 | C3 | C1 | C12 | 63.2° | 60.0° |
| C10 | C3 | C5 | H36 | 59.4° | 180.0° |
| C10 | C3 | C5 | H37 | 179.1° | 60.0° |
| C3 | C10 | C9 | H43 | 178.9° | 180.0° |
| C3 | C10 | H44 | H45 | 119.7° | 120.0° |
| C3 | C1 | C4 | C8 | 59.7° | 60.0° |
| C3 | C1 | C4 | C11 | 123.0° | 120.0° |
| C3 | C1 | C4 | C12 | 121.2° | 120.0° |
| C3 | C1 | C11 | C20 | 27.3° | 129.6° |
| C3 | C1 | C11 | C12 | 119.5° | 120.0° |
| C3 | C1 | C11 | C24 | 155.3° | 50.4° |
| C3 | C1 | C12 | C13 | 175.7° | 179.2° |
| C3 | C1 | C12 | H46 | 63.2° | 59.2° |
| C3 | C1 | C12 | H47 | 54.5° | 60.8° |
| C3 | C1 | C4 | H35 | 179.6° | 180.0° |
| C1 | C3 | C5 | H36 | 179.2° | 60.0° |
| C1 | C3 | C5 | H37 | 59.5° | 180.0° |
| C1 | C3 | C10 | H44 | 59.1° | 180.0° |
| C1 | C3 | C10 | H45 | 178.8° | 60.0° |
| C8 | C4 | C1 | H35 | 119.9° | 119.9° |
| C8 | C4 | C1 | C11 | 177.3° | 180.0° |
| C8 | C4 | C1 | C12 | 61.5° | 60.0° |
| C8 | C4 | C6 | H38 | 180.0° | 60.0° |
| C8 | C4 | C6 | H39 | 60.1° | 180.0° |
| C4 | C8 | H42 | H41 | 119.7° | 120.0° |
| C4 | C8 | C9 | H43 | 179.1° | 179.9° |
| C4 | C1 | C11 | C20 | 146.1° | 9.6° |
| C4 | C1 | C11 | C12 | 121.7° | 120.0° |
| C4 | C1 | C11 | C24 | 36.4° | 170.4° |
| C4 | C1 | C12 | C13 | 66.0° | 60.8° |
| C4 | C1 | C12 | H46 | 55.2° | 179.2° |
| C4 | C1 | C12 | H47 | 172.8° | 59.2° |
| C4 | C1 | C3 | H34 | 180.0° | 180.0° |
| C1 | C4 | C6 | H38 | 58.1° | 180.0° |
| C1 | C4 | C6 | H39 | 178.0° | 60.0° |
| C1 | C4 | C8 | H42 | 178.3° | 60.0° |
| C1 | C4 | C8 | H41 | 58.5° | 180.0° |
| C21 | C20 | C11 | H54 | 180.0° | 179.8° |
| C21 | C20 | C11 | C1 | 177.7° | 180.0° |
| C20 | C21 | C22 | H55 | 180.0° | 180.0° |
| C21 | C20 | C11 | C24 | 0.2° | 0.0° |
| C20 | C21 | C22 | C23 | 1.0° | 0.0° |
| C20 | C21 | C22 | C25 | 177.6° | 180.0° |
| C20 | C11 | C1 | C24 | 177.4° | 180.0° |
| C20 | C11 | C1 | C12 | 92.2° | 110.4° |
| C11 | C20 | C21 | C22 | 1.0° | 0.0° |
| C20 | C11 | C24 | C23 | 0.5° | 0.0° |
| C11 | C20 | C21 | H55 | 179.0° | 180.0° |
| C20 | C11 | C24 | H57 | 179.5° | 180.0° |
| C1 | C11 | C24 | C23 | 177.0° | 180.0° |
| C11 | C1 | C12 | C13 | 54.7° | 59.2° |
| C1 | C11 | C20 | H54 | 2.3° | 0.2° |
| C1 | C11 | C24 | H57 | 3.0° | 0.0° |
| C11 | C1 | C12 | H46 | 175.9° | 60.8° |
| C11 | C1 | C12 | H47 | 66.4° | 179.2° |
| C11 | C1 | C3 | H34 | 57.8° | 60.0° |
| C11 | C1 | C4 | H35 | 57.4° | 60.0° |
| C12 | C1 | C11 | C24 | 85.2° | 69.6° |
| C1 | C12 | C13 | H46 | 121.2° | 120.0° |
| C1 | C12 | C13 | H47 | 121.2° | 120.0° |
| C1 | C12 | C13 | O15 | 78.2° | 6.0° |
| C1 | C12 | C13 | N14 | 105.8° | 174.0° |
| C1 | C12 | H46 | H47 | 116.4° | 120.0° |
| C12 | C1 | C3 | H34 | 57.3° | 60.0° |
| C12 | C1 | C4 | H35 | 58.4° | 60.0° |
| C21 | C22 | C25 | C30 | 136.7° | 0.0° |
| C21 | C22 | C23 | C25 | 178.5° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C25 | C26 | 44.8° | 180.0° |
| C22 | C21 | C20 | H54 | 179.0° | 179.7° |
| C21 | C22 | C23 | H56 | 179.7° | 180.0° |
| C11 | C24 | C23 | C22 | 0.5° | 0.0° |
| C11 | C24 | C23 | H57 | 180.0° | 180.0° |
| C24 | C11 | C20 | H54 | 179.8° | 179.7° |
| C11 | C24 | C23 | H56 | 179.5° | 180.0° |
| C29 | C30 | C25 | H61 | 180.0° | 179.8° |
| C30 | C29 | C28 | H60 | 180.0° | 179.9° |
| C29 | C30 | C25 | C22 | 177.5° | 179.7° |
| C29 | C30 | C25 | C26 | 1.1° | 0.2° |
| C30 | C29 | C28 | F31 | 173.9° | 180.0° |
| C30 | C29 | C28 | C27 | 2.2° | 0.0° |
| C25 | C30 | C29 | C28 | 0.7° | 0.3° |
| C30 | C25 | C22 | C23 | 44.8° | 180.0° |
| C30 | C25 | C22 | C26 | 178.5° | 180.0° |
| C30 | C25 | C26 | C27 | 1.5° | 0.0° |
| C30 | C25 | C26 | H58 | 178.5° | 180.0° |
| C25 | C30 | C29 | H60 | 179.3° | 179.8° |
| C29 | C28 | F31 | C27 | 176.3° | 180.0° |
| C29 | C28 | C27 | C26 | 1.8° | 0.2° |
| C29 | C28 | C27 | H59 | 178.1° | 179.9° |
| C28 | C29 | C30 | H61 | 179.3° | 180.0° |
| C22 | C23 | C24 | H56 | 180.0° | 179.9° |
| C23 | C22 | C25 | C26 | 133.7° | 0.0° |
| C23 | C22 | C21 | H55 | 179.0° | 180.0° |
| C22 | C23 | C24 | H57 | 179.5° | 180.0° |
| C25 | C22 | C23 | C24 | 178.3° | 179.9° |
| C22 | C25 | C26 | C27 | 177.1° | 180.0° |
| C25 | C22 | C21 | H55 | 2.5° | 0.0° |
| C25 | C22 | C23 | H56 | 1.7° | 0.0° |
| C22 | C25 | C26 | H58 | 2.9° | 0.0° |
| C22 | C25 | C30 | H61 | 2.5° | 0.1° |
| C25 | C26 | C27 | C28 | 0.1° | 0.2° |
| C25 | C26 | C27 | H58 | 180.0° | 180.0° |
| C25 | C26 | C27 | H59 | 179.9° | 180.0° |
| C26 | C25 | C30 | H61 | 178.9° | 180.0° |
| F31 | C28 | C27 | C26 | 174.3° | 179.8° |
| F31 | C28 | C27 | H59 | 5.7° | 0.1° |
| F31 | C28 | C29 | H60 | 6.1° | 0.0° |
| C28 | C27 | C26 | H59 | 180.0° | 179.7° |
| C28 | C27 | C26 | H58 | 179.9° | 179.7° |
| C27 | C28 | C29 | H60 | 177.8° | 180.0° |
| C12 | C13 | O15 | N14 | 175.8° | 180.0° |
| C12 | C13 | N14 | C18 | 5.5° | 180.0° |
| C12 | C13 | N14 | C16 | 178.8° | 0.3° |
| C13 | C12 | H46 | H47 | 116.4° | 120.0° |
| O15 | C13 | N14 | C18 | 170.4° | 0.0° |
| O15 | C13 | N14 | C16 | 5.3° | 179.7° |
| O15 | C13 | C12 | H46 | 42.9° | 114.0° |
| O15 | C13 | C12 | H47 | 160.6° | 125.9° |
| C13 | N14 | C18 | C16 | 176.8° | 179.8° |
| C13 | N14 | C18 | C17 | 168.5° | 153.1° |
| C13 | N14 | C16 | C17 | 168.6° | 153.1° |
| C13 | N14 | C18 | H52 | 75.3° | 38.3° |
| C13 | N14 | C18 | H51 | 52.3° | 92.1° |
| C13 | N14 | C16 | H49 | 52.6° | 92.2° |
| C13 | N14 | C16 | H48 | 75.3° | 38.3° |
| N14 | C13 | C12 | H46 | 133.0° | 66.0° |
| N14 | C13 | C12 | H47 | 15.3° | 54.0° |
| N14 | C18 | C17 | H52 | 116.2° | 114.8° |
| N14 | C18 | C17 | H51 | 116.2° | 114.8° |
| C18 | N14 | C16 | C17 | 14.5° | 27.1° |
| N14 | C18 | C17 | O19 | 125.3° | 87.5° |
| N14 | C18 | H52 | H51 | 130.1° | 130.7° |
| N14 | C18 | C17 | H50 | 99.8° | 139.8° |
| C18 | N14 | C16 | H49 | 130.6° | 87.6° |
| C18 | N14 | C16 | H48 | 101.5° | 141.9° |
| N14 | C16 | C17 | H49 | 116.1° | 114.7° |
| N14 | C16 | C17 | H48 | 116.1° | 114.8° |
| N14 | C16 | C17 | O19 | 128.0° | 87.6° |
| C16 | N14 | C18 | H52 | 101.5° | 141.9° |
| C16 | N14 | C18 | H51 | 130.9° | 87.7° |
| N14 | C16 | C17 | H50 | 100.1° | 139.7° |
| N14 | C16 | H49 | H48 | 130.5° | 130.8° |
| C18 | C17 | C16 | O19 | 114.4° | 113.7° |
| C18 | C17 | C16 | H50 | 113.7° | 113.6° |
| C18 | C17 | O19 | H50 | 133.9° | 133.1° |
| C17 | C18 | H52 | H51 | 130.0° | 130.8° |
| C18 | C17 | C16 | H49 | 129.7° | 88.6° |
| C18 | C17 | C16 | H48 | 102.5° | 140.9° |
| C18 | C17 | O19 | H53 | 180.0° | 180.0° |
| C16 | C17 | O19 | H50 | 130.7° | 133.2° |
| C16 | C17 | C18 | H52 | 102.7° | 140.8° |
| C16 | C17 | C18 | H51 | 129.8° | 88.7° |
| C17 | C16 | H49 | H48 | 130.4° | 130.8° |
| C16 | C17 | O19 | H53 | 84.5° | 86.4° |
| O19 | C17 | C18 | H52 | 9.1° | 27.2° |
| O19 | C17 | C18 | H51 | 118.5° | 157.7° |
| O19 | C17 | C16 | H49 | 116.0° | 157.7° |
| O19 | C17 | C16 | H48 | 11.9° | 27.2° |
| H52 | C18 | C17 | H50 | 144.0° | 105.4° |
| H51 | C18 | C17 | H50 | 16.4° | 25.0° |
| H50 | C17 | C16 | H49 | 16.0° | 25.0° |
| H50 | C17 | C16 | H48 | 143.8° | 105.5° |
| H50 | C17 | O19 | H53 | 46.2° | 46.9° |
| H54 | C20 | C21 | H55 | 1.0° | 0.2° |
| H56 | C23 | C24 | H57 | 0.5° | 0.1° |
| H59 | C27 | C26 | H58 | 0.1° | 0.0° |
| H33 | C2 | C7 | H40 | 63.3° | 60.1° |
| H33 | C2 | C9 | H43 | 63.0° | 60.1° |
| H33 | C2 | O32 | H62 | 61.1° | 60.0° |
| H34 | C3 | C5 | H36 | 59.1° | 60.0° |
| H34 | C3 | C5 | H37 | 60.6° | 60.0° |
| H34 | C3 | C10 | H44 | 61.2° | 60.0° |
| H34 | C3 | C10 | H45 | 58.6° | 60.0° |
| H35 | C4 | C6 | H38 | 61.6° | 60.0° |
| H35 | C4 | C6 | H39 | 58.3° | 60.0° |
| H35 | C4 | C8 | H42 | 58.6° | 60.0° |
| H35 | C4 | C8 | H41 | 61.2° | 60.0° |
| H36 | C5 | C7 | H40 | 61.1° | 60.1° |
| H37 | C5 | C7 | H40 | 58.5° | 60.0° |
| H38 | C6 | C7 | H40 | 59.1° | 60.1° |
| H39 | C6 | C7 | H40 | 60.9° | 60.0° |
| H42 | C8 | C9 | H43 | 60.8° | 59.9° |
| H41 | C8 | C9 | H43 | 59.1° | 60.0° |
| H43 | C9 | C10 | H44 | 58.8° | 60.0° |
| H43 | C9 | C10 | H45 | 60.9° | 60.0° |
| H60 | C29 | C30 | H61 | 0.7° | 0.0° |
