7AZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O68 | P55 | doub | 1.48Å | 1.49Å | |
| O56 | P55 | sing | 1.61Å | 1.49Å | |
| P55 | O69 | sing | 1.61Å | 1.51Å | |
| P55 | C26 | sing | 1.81Å | 1.76Å | |
| O66 | P57 | doub | 1.48Å | 1.50Å | |
| O67 | P57 | sing | 1.61Å | 1.48Å | |
| P57 | O58 | sing | 1.61Å | 1.49Å | |
| P57 | C20 | sing | 1.81Å | 1.76Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.50Å | 1.53Å | |
| C21 | C19 | sing | 1.50Å | 1.53Å | |
| C22 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | O46 | sing | 1.36Å | 1.37Å | |
| C27 | C28 | sing | 1.50Å | 1.52Å | |
| C18 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | O38 | sing | 1.36Å | 1.36Å | |
| C15 | C14 | sing | 1.50Å | 1.52Å | |
| O65 | P53 | doub | 1.48Å | 1.53Å | |
| O64 | P53 | sing | 1.61Å | 1.43Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C32 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| P53 | C33 | sing | 1.81Å | 1.79Å | |
| P53 | O54 | sing | 1.61Å | 1.46Å | |
| C14 | C12 | sing | 1.50Å | 1.51Å | |
| C29 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C33 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | O47 | sing | 1.36Å | 1.35Å | |
| C31 | C34 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| O37 | C11 | sing | 1.36Å | 1.35Å | |
| C34 | C35 | sing | 1.50Å | 1.49Å | |
| C9 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C45 | sing | 1.50Å | 1.53Å | |
| O71 | P59 | doub | 1.48Å | 1.46Å | |
| C13 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | P59 | sing | 1.81Å | 1.75Å | |
| C8 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.50Å | 1.52Å | |
| O48 | C42 | sing | 1.36Å | 1.35Å | |
| P59 | O60 | sing | 1.61Å | 1.48Å | |
| P59 | O70 | sing | 1.61Å | 1.49Å | |
| O36 | C2 | sing | 1.36Å | 1.35Å | |
| C7 | C6 | sing | 1.50Å | 1.51Å | |
| C45 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C45 | C41 | sing | 1.38Å | 1.42Å | Aromatic |
| C42 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C44 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.50Å | 1.51Å | |
| C40 | C43 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | P51 | sing | 1.81Å | 1.79Å | |
| O63 | P51 | doub | 1.48Å | 1.49Å | |
| C4 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | P49 | sing | 1.81Å | 1.74Å | |
| P51 | O52 | sing | 1.61Å | 1.47Å | |
| P51 | O72 | sing | 1.61Å | 1.46Å | |
| O61 | P49 | doub | 1.48Å | 1.45Å | |
| P49 | O50 | sing | 1.61Å | 1.46Å | |
| P49 | O62 | sing | 1.61Å | 1.48Å | |
| C39 | H1 | sing | 1.09Å | 1.10Å | |
| C39 | H2 | sing | 1.10Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.10Å | 1.10Å | |
| C30 | H5 | sing | 1.08Å | 1.08Å | |
| C32 | H6 | sing | 1.08Å | 1.08Å | |
| C35 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.10Å | 1.10Å | |
| O38 | H9 | sing | 0.97Å | 0.95Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.10Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.10Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.10Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| O72 | H24 | sing | 0.97Å | 0.95Å | |
| O52 | H25 | sing | 0.97Å | 0.95Å | |
| C43 | H26 | sing | 1.08Å | 1.08Å | |
| O62 | H27 | sing | 0.97Å | 0.95Å | |
| O50 | H28 | sing | 0.97Å | 0.95Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| O48 | H30 | sing | 0.97Å | 0.95Å | |
| O47 | H31 | sing | 0.97Å | 0.95Å | |
| O64 | H32 | sing | 0.97Å | 0.95Å | |
| O54 | H33 | sing | 0.97Å | 0.95Å | |
| O46 | H34 | sing | 0.97Å | 0.95Å | |
| O69 | H35 | sing | 0.97Å | 0.95Å | |
| O56 | H36 | sing | 0.97Å | 0.95Å | |
| O67 | H37 | sing | 0.97Å | 0.95Å | |
| O58 | H38 | sing | 0.97Å | 0.95Å | |
| O70 | H39 | sing | 0.97Å | 0.95Å | |
| O60 | H40 | sing | 0.97Å | 0.95Å | |
| O37 | H41 | sing | 0.97Å | 0.95Å | |
| O36 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O68 | P55 | O56 | 113.6° | 109.4° |
| O68 | P55 | O69 | 111.2° | 109.5° |
| O68 | P55 | C26 | 109.4° | 109.5° |
| O56 | P55 | O69 | 104.4° | 109.5° |
| O56 | P55 | C26 | 105.5° | 109.4° |
| P55 | O56 | H36 | 109.5° | 114.0° |
| O69 | P55 | C26 | 112.7° | 109.5° |
| P55 | O69 | H35 | 109.5° | 114.0° |
| P55 | C26 | C25 | 119.6° | 119.8° |
| P55 | C26 | C23 | 120.9° | 119.9° |
| O66 | P57 | O67 | 116.1° | 109.5° |
| O66 | P57 | O58 | 107.2° | 109.5° |
| O66 | P57 | C20 | 108.3° | 109.5° |
| O67 | P57 | O58 | 102.1° | 109.4° |
| O67 | P57 | C20 | 112.4° | 109.5° |
| P57 | O67 | H37 | 109.5° | 113.9° |
| O58 | P57 | C20 | 110.5° | 109.5° |
| P57 | O58 | H38 | 109.5° | 114.0° |
| P57 | C20 | C16 | 121.3° | 119.9° |
| P57 | C20 | C17 | 118.8° | 119.9° |
| C26 | C25 | C22 | 121.3° | 120.4° |
| C25 | C26 | C23 | 119.4° | 120.3° |
| C26 | C25 | H23 | 119.4° | 119.3° |
| C25 | C22 | C21 | 118.8° | 120.9° |
| C25 | C22 | C24 | 119.4° | 119.5° |
| C22 | C25 | H23 | 119.3° | 120.3° |
| C26 | C23 | C27 | 120.2° | 119.9° |
| C26 | C23 | H22 | 119.9° | 119.7° |
| C20 | C16 | C19 | 121.2° | 120.3° |
| C16 | C20 | C17 | 119.9° | 120.2° |
| C20 | C16 | H18 | 119.4° | 119.4° |
| C16 | C19 | C21 | 118.8° | 120.6° |
| C16 | C19 | C18 | 117.8° | 119.4° |
| C19 | C16 | H18 | 119.4° | 120.2° |
| C20 | C17 | C15 | 119.5° | 120.0° |
| C20 | C17 | H19 | 120.2° | 119.8° |
| C22 | C21 | C19 | 115.3° | 114.8° |
| C21 | C22 | C24 | 121.8° | 119.7° |
| C22 | C21 | H20 | 108.0° | 109.1° |
| C22 | C21 | H21 | 108.0° | 108.1° |
| C21 | C19 | C18 | 123.3° | 120.0° |
| C19 | C21 | H20 | 108.0° | 109.0° |
| C19 | C21 | H21 | 108.0° | 108.2° |
| C22 | C24 | C27 | 119.6° | 120.2° |
| C22 | C24 | O46 | 119.9° | 119.9° |
| C23 | C27 | C24 | 120.0° | 119.7° |
| C23 | C27 | C28 | 118.5° | 120.2° |
| C27 | C23 | H22 | 119.9° | 120.4° |
| C19 | C18 | C15 | 121.8° | 120.3° |
| C19 | C18 | O38 | 119.6° | 119.8° |
| C17 | C15 | C18 | 119.6° | 119.8° |
| C17 | C15 | C14 | 116.8° | 119.8° |
| C15 | C17 | H19 | 120.3° | 120.3° |
| C27 | C24 | O46 | 120.4° | 119.9° |
| C24 | C27 | C28 | 121.4° | 120.1° |
| C24 | O46 | H34 | 109.5° | 114.0° |
| C27 | C28 | C29 | 116.0° | 113.6° |
| C27 | C28 | H3 | 107.8° | 109.6° |
| C27 | C28 | H4 | 107.8° | 108.2° |
| C15 | C18 | O38 | 118.5° | 119.9° |
| C18 | C15 | C14 | 123.6° | 120.4° |
| C18 | O38 | H9 | 109.5° | 114.0° |
| C15 | C14 | C12 | 118.5° | 114.6° |
| C15 | C14 | H16 | 107.2° | 109.2° |
| C15 | C14 | H17 | 107.2° | 108.0° |
| O65 | P53 | O64 | 103.5° | 109.5° |
| O65 | P53 | C33 | 101.3° | 109.5° |
| O65 | P53 | O54 | 99.3° | 109.5° |
| O64 | P53 | C33 | 113.2° | 109.4° |
| O64 | P53 | O54 | 122.9° | 109.4° |
| P53 | O64 | H32 | 109.5° | 114.0° |
| C28 | C29 | C32 | 118.5° | 119.8° |
| C28 | C29 | C31 | 121.5° | 120.4° |
| C29 | C28 | H3 | 107.8° | 109.4° |
| C29 | C28 | H4 | 107.8° | 108.2° |
| C29 | C32 | C33 | 121.1° | 120.1° |
| C32 | C29 | C31 | 120.0° | 119.8° |
| C29 | C32 | H6 | 119.5° | 120.1° |
| C32 | C33 | P53 | 120.9° | 120.0° |
| C32 | C33 | C30 | 118.8° | 120.2° |
| C33 | C32 | H6 | 119.4° | 119.7° |
| C33 | P53 | O54 | 112.4° | 109.5° |
| P53 | C33 | C30 | 120.3° | 119.9° |
| P53 | O54 | H33 | 109.5° | 114.0° |
| C14 | C12 | C9 | 119.7° | 120.2° |
| C14 | C12 | C11 | 121.0° | 120.3° |
| C12 | C14 | H16 | 107.2° | 109.3° |
| C12 | C14 | H17 | 107.2° | 108.0° |
| C29 | C31 | O47 | 119.8° | 119.9° |
| C29 | C31 | C34 | 119.4° | 120.3° |
| C33 | C30 | C34 | 120.1° | 120.2° |
| C33 | C30 | H5 | 120.0° | 119.4° |
| O47 | C31 | C34 | 120.8° | 119.8° |
| C31 | O47 | H31 | 109.5° | 114.0° |
| C31 | C34 | C30 | 120.5° | 119.3° |
| C31 | C34 | C35 | 121.5° | 119.6° |
| C9 | C12 | C11 | 119.2° | 119.5° |
| C12 | C9 | C13 | 120.0° | 120.2° |
| C12 | C9 | H14 | 120.0° | 120.2° |
| C12 | C11 | O37 | 118.1° | 119.7° |
| C12 | C11 | C8 | 121.1° | 120.5° |
| C30 | C34 | C35 | 118.0° | 121.1° |
| C34 | C30 | H5 | 119.9° | 120.4° |
| O37 | C11 | C8 | 120.8° | 119.8° |
| C11 | O37 | H41 | 109.5° | 114.0° |
| C34 | C35 | C45 | 117.0° | 115.1° |
| C34 | C35 | H7 | 107.6° | 108.9° |
| C34 | C35 | H8 | 107.6° | 108.1° |
| C9 | C13 | C10 | 120.7° | 120.1° |
| C9 | C13 | P59 | 121.0° | 120.0° |
| C13 | C9 | H14 | 120.0° | 119.6° |
| C11 | C8 | C10 | 120.1° | 119.5° |
| C11 | C8 | C7 | 121.4° | 119.9° |
| C35 | C45 | C42 | 119.1° | 119.4° |
| C35 | C45 | C41 | 122.3° | 121.1° |
| C45 | C35 | H7 | 107.6° | 109.0° |
| C45 | C35 | H8 | 107.5° | 108.1° |
| O71 | P59 | C13 | 106.6° | 109.5° |
| O71 | P59 | O60 | 115.6° | 109.4° |
| O71 | P59 | O70 | 110.3° | 109.5° |
| C10 | C13 | P59 | 118.3° | 119.9° |
| C13 | C10 | C8 | 119.0° | 120.3° |
| C13 | C10 | H15 | 120.5° | 119.5° |
| C13 | P59 | O60 | 113.6° | 109.5° |
| C13 | P59 | O70 | 109.4° | 109.4° |
| C10 | C8 | C7 | 118.5° | 120.6° |
| C8 | C10 | H15 | 120.6° | 120.2° |
| C8 | C7 | C6 | 112.9° | 115.6° |
| C8 | C7 | H12 | 108.6° | 108.9° |
| C8 | C7 | H13 | 108.6° | 108.0° |
| O48 | C42 | C45 | 118.7° | 119.8° |
| O48 | C42 | C40 | 120.1° | 119.8° |
| C42 | O48 | H30 | 109.5° | 114.0° |
| O60 | P59 | O70 | 101.1° | 109.5° |
| P59 | O60 | H40 | 109.5° | 114.0° |
| P59 | O70 | H39 | 109.5° | 114.0° |
| O36 | C2 | C6 | 119.7° | 119.9° |
| O36 | C2 | C5 | 120.3° | 119.9° |
| C2 | O36 | H42 | 109.5° | 114.0° |
| C7 | C6 | C2 | 121.9° | 119.8° |
| C7 | C6 | C3 | 118.9° | 120.6° |
| C6 | C7 | H12 | 108.6° | 108.8° |
| C6 | C7 | H13 | 108.6° | 107.9° |
| C42 | C45 | C41 | 118.6° | 119.5° |
| C45 | C42 | C40 | 121.2° | 120.4° |
| C45 | C41 | C44 | 121.1° | 120.2° |
| C45 | C41 | H29 | 119.4° | 120.5° |
| C42 | C40 | C39 | 119.6° | 120.3° |
| C42 | C40 | C43 | 119.5° | 119.6° |
| C6 | C2 | C5 | 120.0° | 120.2° |
| C2 | C6 | C3 | 119.2° | 119.5° |
| C2 | C5 | C39 | 122.2° | 120.2° |
| C2 | C5 | C4 | 120.6° | 119.8° |
| C6 | C3 | C1 | 120.9° | 120.2° |
| C6 | C3 | H10 | 119.5° | 120.3° |
| C41 | C44 | C43 | 119.0° | 120.3° |
| C41 | C44 | P51 | 121.2° | 119.8° |
| C44 | C41 | H29 | 119.5° | 119.3° |
| C39 | C40 | C43 | 120.7° | 120.1° |
| C40 | C39 | C5 | 119.0° | 113.0° |
| C40 | C39 | H1 | 107.1° | 109.6° |
| C40 | C39 | H2 | 107.0° | 108.4° |
| C40 | C43 | C44 | 120.5° | 120.0° |
| C40 | C43 | H26 | 119.8° | 120.3° |
| C39 | C5 | C4 | 117.2° | 120.0° |
| C5 | C39 | H1 | 107.0° | 109.5° |
| C5 | C39 | H2 | 107.0° | 108.4° |
| C5 | C4 | C1 | 120.0° | 120.1° |
| C5 | C4 | H11 | 120.0° | 120.3° |
| C3 | C1 | C4 | 119.2° | 120.1° |
| C3 | C1 | P49 | 120.6° | 119.9° |
| C1 | C3 | H10 | 119.5° | 119.5° |
| C43 | C44 | P51 | 119.7° | 119.9° |
| C44 | C43 | H26 | 119.8° | 119.7° |
| C44 | P51 | O63 | 106.4° | 109.5° |
| C44 | P51 | O52 | 113.9° | 109.5° |
| C44 | P51 | O72 | 103.9° | 109.4° |
| O63 | P51 | O52 | 106.3° | 109.5° |
| O63 | P51 | O72 | 111.6° | 109.5° |
| C4 | C1 | P49 | 120.2° | 120.0° |
| C1 | C4 | H11 | 120.0° | 119.6° |
| C1 | P49 | O61 | 108.7° | 109.5° |
| C1 | P49 | O50 | 112.7° | 109.5° |
| C1 | P49 | O62 | 110.6° | 109.5° |
| O52 | P51 | O72 | 114.6° | 109.5° |
| P51 | O52 | H25 | 109.5° | 114.0° |
| P51 | O72 | H24 | 109.5° | 114.0° |
| O61 | P49 | O50 | 109.5° | 109.5° |
| O61 | P49 | O62 | 111.2° | 109.5° |
| O50 | P49 | O62 | 104.2° | 109.5° |
| P49 | O50 | H28 | 109.5° | 114.0° |
| P49 | O62 | H27 | 109.5° | 114.0° |
| H1 | C39 | H2 | 109.5° | 107.9° |
| H3 | C28 | H4 | 109.5° | 107.6° |
| H7 | C35 | H8 | 109.5° | 107.2° |
| H12 | C7 | H13 | 109.5° | 107.2° |
| H16 | C14 | H17 | 109.5° | 107.4° |
| H20 | C21 | H21 | 109.5° | 107.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O68 | P55 | O56 | O69 | 121.3° | 120.0° |
| O68 | P55 | O56 | C26 | 119.8° | 120.0° |
| O68 | P55 | O69 | C26 | 123.2° | 120.1° |
| O68 | P55 | C26 | C25 | 31.4° | 115.0° |
| O68 | P55 | C26 | C23 | 151.8° | 65.0° |
| O68 | P55 | O69 | H35 | 0.0° | 60.0° |
| O68 | P55 | O56 | H36 | 0.0° | 180.0° |
| O56 | P55 | O69 | C26 | 113.9° | 120.0° |
| O56 | P55 | C26 | C25 | 91.2° | 125.0° |
| O56 | P55 | C26 | C23 | 85.6° | 55.0° |
| O56 | P55 | O69 | H35 | 122.9° | 60.0° |
| O69 | P55 | C26 | C25 | 155.6° | 5.0° |
| O69 | P55 | C26 | C23 | 27.7° | 175.0° |
| O69 | P55 | O56 | H36 | 121.3° | 60.0° |
| P55 | C26 | C25 | C23 | 176.8° | 180.0° |
| P55 | C26 | C25 | C22 | 177.2° | 179.2° |
| P55 | C26 | C23 | C27 | 176.3° | 179.5° |
| P55 | C26 | C23 | H22 | 3.7° | 1.1° |
| P55 | C26 | C25 | H23 | 2.8° | 1.5° |
| C26 | P55 | O69 | H35 | 123.1° | 180.0° |
| C26 | P55 | O56 | H36 | 119.7° | 60.0° |
| O66 | P57 | O67 | O58 | 116.2° | 120.0° |
| O66 | P57 | O67 | C20 | 125.4° | 120.0° |
| O66 | P57 | O58 | C20 | 117.8° | 120.0° |
| O66 | P57 | C20 | C16 | 7.8° | 65.0° |
| O66 | P57 | C20 | C17 | 172.5° | 115.1° |
| O66 | P57 | O67 | H37 | 0.0° | 180.0° |
| O66 | P57 | O58 | H38 | 0.0° | 59.9° |
| O67 | P57 | O58 | C20 | 119.7° | 120.0° |
| O67 | P57 | C20 | C16 | 121.8° | 55.0° |
| O67 | P57 | C20 | C17 | 57.9° | 124.9° |
| O67 | P57 | O58 | H38 | 122.5° | 60.0° |
| O58 | P57 | C20 | C16 | 124.8° | 175.0° |
| O58 | P57 | C20 | C17 | 55.4° | 4.9° |
| O58 | P57 | O67 | H37 | 116.2° | 60.0° |
| P57 | C20 | C16 | C17 | 179.7° | 179.9° |
| P57 | C20 | C16 | C19 | 178.3° | 178.8° |
| P57 | C20 | C17 | C15 | 178.6° | 179.6° |
| P57 | C20 | C16 | H18 | 1.7° | 2.4° |
| P57 | C20 | C17 | H19 | 1.4° | 1.7° |
| C20 | P57 | O67 | H37 | 125.4° | 60.0° |
| C20 | P57 | O58 | H38 | 117.8° | 180.0° |
| C26 | C25 | C22 | H23 | 180.0° | 179.2° |
| C26 | C25 | C22 | C21 | 178.9° | 179.3° |
| C26 | C25 | C22 | C24 | 0.0° | 0.1° |
| C25 | C26 | C23 | C27 | 0.4° | 0.5° |
| C25 | C26 | C23 | H22 | 179.6° | 178.9° |
| C22 | C25 | C26 | C23 | 0.4° | 0.8° |
| C25 | C22 | C21 | C24 | 178.9° | 179.2° |
| C25 | C22 | C21 | C19 | 110.7° | 57.0° |
| C25 | C22 | C24 | C27 | 1.2° | 0.7° |
| C25 | C22 | C24 | O46 | 179.2° | 179.2° |
| C25 | C22 | C21 | H20 | 10.2° | 179.6° |
| C25 | C22 | C21 | H21 | 128.5° | 63.9° |
| C26 | C23 | C27 | H22 | 180.0° | 179.5° |
| C26 | C23 | C27 | C24 | 1.7° | 0.3° |
| C26 | C23 | C27 | C28 | 177.6° | 179.0° |
| C23 | C26 | C25 | H23 | 179.6° | 178.5° |
| C20 | C16 | C19 | H18 | 180.0° | 178.8° |
| C20 | C16 | C19 | C21 | 178.7° | 178.3° |
| C20 | C16 | C19 | C18 | 2.8° | 0.0° |
| C16 | C20 | C17 | C15 | 1.7° | 0.3° |
| C16 | C20 | C17 | H19 | 178.3° | 178.4° |
| C19 | C16 | C20 | C17 | 2.0° | 1.2° |
| C16 | C19 | C21 | C22 | 84.4° | 65.4° |
| C16 | C19 | C21 | C18 | 175.7° | 178.3° |
| C16 | C19 | C18 | C15 | 3.5° | 2.1° |
| C16 | C19 | C18 | O38 | 179.3° | 179.1° |
| C16 | C19 | C21 | H20 | 36.4° | 172.0° |
| C16 | C19 | C21 | H21 | 154.7° | 55.5° |
| C20 | C17 | C15 | H19 | 180.0° | 178.7° |
| C20 | C17 | C15 | C18 | 2.3° | 1.8° |
| C20 | C17 | C15 | C14 | 179.4° | 177.6° |
| C17 | C20 | C16 | H18 | 178.0° | 177.6° |
| C22 | C21 | C19 | H20 | 120.8° | 122.7° |
| C22 | C21 | C19 | H21 | 120.9° | 120.8° |
| C22 | C21 | C19 | C18 | 99.9° | 116.3° |
| C21 | C22 | C24 | C27 | 179.9° | 178.5° |
| C21 | C22 | C24 | O46 | 1.9° | 1.5° |
| C22 | C21 | H20 | H21 | 117.4° | 117.0° |
| C21 | C22 | C25 | H23 | 1.1° | 0.1° |
| C19 | C21 | C22 | C24 | 68.3° | 123.8° |
| C21 | C19 | C18 | C15 | 179.2° | 176.2° |
| C21 | C19 | C18 | O38 | 3.6° | 2.5° |
| C21 | C19 | C16 | H18 | 1.3° | 0.5° |
| C19 | C21 | H20 | H21 | 117.4° | 117.0° |
| C22 | C24 | C27 | C23 | 2.1° | 1.0° |
| C22 | C24 | C27 | O46 | 178.0° | 180.0° |
| C22 | C24 | C27 | C28 | 177.9° | 178.3° |
| C24 | C22 | C21 | H20 | 170.9° | 1.2° |
| C24 | C22 | C21 | H21 | 52.6° | 115.4° |
| C24 | C22 | C25 | H23 | 180.0° | 179.1° |
| C22 | C24 | O46 | H34 | 180.0° | 90.0° |
| C23 | C27 | C24 | C28 | 175.8° | 179.3° |
| C23 | C27 | C24 | O46 | 179.9° | 179.0° |
| C23 | C27 | C28 | C29 | 93.5° | 61.2° |
| C23 | C27 | C28 | H3 | 27.4° | 176.1° |
| C23 | C27 | C28 | H4 | 145.5° | 59.0° |
| C19 | C18 | C15 | C17 | 3.2° | 3.0° |
| C19 | C18 | C15 | O38 | 177.2° | 178.7° |
| C19 | C18 | C15 | C14 | 179.9° | 176.4° |
| C19 | C18 | O38 | H9 | 180.0° | 88.8° |
| C18 | C19 | C16 | H18 | 177.2° | 178.8° |
| C18 | C19 | C21 | H20 | 139.2° | 6.4° |
| C18 | C19 | C21 | H21 | 20.9° | 122.9° |
| C17 | C15 | C18 | C14 | 176.9° | 179.4° |
| C17 | C15 | C18 | O38 | 179.5° | 178.3° |
| C17 | C15 | C14 | C12 | 81.7° | 67.5° |
| C17 | C15 | C14 | H16 | 39.5° | 169.5° |
| C17 | C15 | C14 | H17 | 157.0° | 52.9° |
| C24 | C27 | C28 | C29 | 90.6° | 119.5° |
| C24 | C27 | C28 | H3 | 148.4° | 3.2° |
| C24 | C27 | C28 | H4 | 30.3° | 120.3° |
| C24 | C27 | C23 | H22 | 178.3° | 179.8° |
| C27 | C24 | O46 | H34 | 2.0° | 90.0° |
| O46 | C24 | C27 | C28 | 4.2° | 1.7° |
| C27 | C28 | C29 | H3 | 121.0° | 122.8° |
| C27 | C28 | C29 | H4 | 120.9° | 120.2° |
| C27 | C28 | C29 | C32 | 93.0° | 70.0° |
| C27 | C28 | C29 | C31 | 86.2° | 110.7° |
| C27 | C28 | H3 | H4 | 117.1° | 117.5° |
| C28 | C27 | C23 | H22 | 2.4° | 0.5° |
| C18 | C15 | C14 | C12 | 101.3° | 113.1° |
| C15 | C18 | O38 | H9 | 2.7° | 90.0° |
| C18 | C15 | C14 | H16 | 137.4° | 9.9° |
| C18 | C15 | C14 | H17 | 20.0° | 126.5° |
| C18 | C15 | C17 | H19 | 177.7° | 179.5° |
| O38 | C18 | C15 | C14 | 2.6° | 2.4° |
| C15 | C14 | C12 | H16 | 121.3° | 123.0° |
| C15 | C14 | C12 | H17 | 121.3° | 120.4° |
| C15 | C14 | C12 | C9 | 117.6° | 64.9° |
| C15 | C14 | C12 | C11 | 66.5° | 117.1° |
| C15 | C14 | H16 | H17 | 115.9° | 116.9° |
| C14 | C15 | C17 | H19 | 0.6° | 1.1° |
| O65 | P53 | O64 | C33 | 108.8° | 120.0° |
| O65 | P53 | O64 | O54 | 110.7° | 120.0° |
| O65 | P53 | C33 | C32 | 105.5° | 65.0° |
| O65 | P53 | C33 | O54 | 105.1° | 120.0° |
| O65 | P53 | C33 | C30 | 72.0° | 115.0° |
| O65 | P53 | O64 | H32 | 0.0° | 60.0° |
| O65 | P53 | O54 | H33 | 0.0° | 180.0° |
| O64 | P53 | C33 | C32 | 4.6° | 55.0° |
| O64 | P53 | C33 | O54 | 144.8° | 119.9° |
| O64 | P53 | C33 | C30 | 177.9° | 125.0° |
| O64 | P53 | O54 | H33 | 112.8° | 60.0° |
| C28 | C29 | C32 | C31 | 179.3° | 179.3° |
| C28 | C29 | C32 | C33 | 180.0° | 178.7° |
| C28 | C29 | C31 | O47 | 0.1° | 2.1° |
| C28 | C29 | C31 | C34 | 179.0° | 176.8° |
| C29 | C28 | H3 | H4 | 117.0° | 117.3° |
| C28 | C29 | C32 | H6 | 0.0° | 0.7° |
| C29 | C32 | C33 | H6 | 180.0° | 179.5° |
| C29 | C32 | C33 | P53 | 178.0° | 178.8° |
| C29 | C32 | C33 | C30 | 0.4° | 1.2° |
| C32 | C29 | C31 | O47 | 179.2° | 178.6° |
| C32 | C29 | C31 | C34 | 1.8° | 2.5° |
| C32 | C29 | C28 | H3 | 27.9° | 167.2° |
| C32 | C29 | C28 | H4 | 146.0° | 50.3° |
| C32 | C33 | P53 | C30 | 177.5° | 180.0° |
| C32 | C33 | P53 | O54 | 149.3° | 175.0° |
| C33 | C32 | C29 | C31 | 0.7° | 0.6° |
| C32 | C33 | C30 | C34 | 1.2° | 1.2° |
| C32 | C33 | C30 | H5 | 178.7° | 177.8° |
| P53 | C33 | C30 | C34 | 178.8° | 178.9° |
| P53 | C33 | C30 | H5 | 1.2° | 2.2° |
| P53 | C33 | C32 | H6 | 2.1° | 1.7° |
| C33 | P53 | O64 | H32 | 108.8° | 180.0° |
| C33 | P53 | O54 | H33 | 106.4° | 60.0° |
| O54 | P53 | C33 | C30 | 33.2° | 5.0° |
| O54 | P53 | O64 | H32 | 110.7° | 60.0° |
| C14 | C12 | C9 | C11 | 176.0° | 178.0° |
| C14 | C12 | C11 | O37 | 1.6° | 4.4° |
| C14 | C12 | C9 | C13 | 178.3° | 177.0° |
| C14 | C12 | C11 | C8 | 178.1° | 175.9° |
| C14 | C12 | C9 | H14 | 1.7° | 2.7° |
| C12 | C14 | H16 | H17 | 115.9° | 117.0° |
| C29 | C31 | O47 | C34 | 179.0° | 179.0° |
| C29 | C31 | C34 | C30 | 2.6° | 2.5° |
| C29 | C31 | C34 | C35 | 179.9° | 175.5° |
| C31 | C29 | C28 | H3 | 152.8° | 12.1° |
| C31 | C29 | C28 | H4 | 34.7° | 129.0° |
| C31 | C29 | C32 | H6 | 179.3° | 179.9° |
| C29 | C31 | O47 | H31 | 180.0° | 90.0° |
| C33 | C30 | C34 | C31 | 2.3° | 0.7° |
| C33 | C30 | C34 | H5 | 180.0° | 178.9° |
| C33 | C30 | C34 | C35 | 179.8° | 177.3° |
| C30 | C33 | C32 | H6 | 179.6° | 178.2° |
| O47 | C31 | C34 | C30 | 178.4° | 178.5° |
| O47 | C31 | C34 | C35 | 1.0° | 3.5° |
| C31 | C34 | C30 | C35 | 177.4° | 178.0° |
| C31 | C34 | C35 | C45 | 76.7° | 117.7° |
| C31 | C34 | C30 | H5 | 177.7° | 179.6° |
| C31 | C34 | C35 | H7 | 44.4° | 5.1° |
| C31 | C34 | C35 | H8 | 162.2° | 121.3° |
| C34 | C31 | O47 | H31 | 1.0° | 89.0° |
| C9 | C12 | C11 | O37 | 177.6° | 177.6° |
| C12 | C9 | C13 | H14 | 180.0° | 179.8° |
| C9 | C12 | C11 | C8 | 2.1° | 2.2° |
| C12 | C9 | C13 | C10 | 1.4° | 0.5° |
| C12 | C9 | C13 | P59 | 179.2° | 179.5° |
| C9 | C12 | C14 | H16 | 3.7° | 172.1° |
| C9 | C12 | C14 | H17 | 121.1° | 55.5° |
| C12 | C11 | O37 | C8 | 179.7° | 179.8° |
| C11 | C12 | C9 | C13 | 2.3° | 1.0° |
| C12 | C11 | C8 | C10 | 1.1° | 1.9° |
| C12 | C11 | C8 | C7 | 179.1° | 176.6° |
| C11 | C12 | C9 | H14 | 177.7° | 179.3° |
| C11 | C12 | C14 | H16 | 172.2° | 5.9° |
| C11 | C12 | C14 | H17 | 54.8° | 122.5° |
| C12 | C11 | O37 | H41 | 180.0° | 90.2° |
| C30 | C34 | C35 | C45 | 105.9° | 64.3° |
| C30 | C34 | C35 | H7 | 133.0° | 172.9° |
| C30 | C34 | C35 | H8 | 15.2° | 56.7° |
| O37 | C11 | C8 | C10 | 178.6° | 177.9° |
| O37 | C11 | C8 | C7 | 1.2° | 3.6° |
| C34 | C35 | C45 | H7 | 121.1° | 122.8° |
| C34 | C35 | C45 | H8 | 121.1° | 121.0° |
| C34 | C35 | C45 | C42 | 95.1° | 126.5° |
| C34 | C35 | C45 | C41 | 85.9° | 54.4° |
| C35 | C34 | C30 | H5 | 0.2° | 1.6° |
| C34 | C35 | H7 | H8 | 116.6° | 116.8° |
| C9 | C13 | P59 | O71 | 11.2° | 65.0° |
| C9 | C13 | C10 | P59 | 177.9° | 180.0° |
| C9 | C13 | C10 | C8 | 0.4° | 0.8° |
| C9 | C13 | P59 | O60 | 139.7° | 175.1° |
| C9 | C13 | P59 | O70 | 108.1° | 55.0° |
| C9 | C13 | C10 | H15 | 179.6° | 177.9° |
| C11 | C8 | C10 | C13 | 0.2° | 0.4° |
| C11 | C8 | C10 | C7 | 179.8° | 178.4° |
| C11 | C8 | C7 | C6 | 92.1° | 120.5° |
| C11 | C8 | C7 | H12 | 28.4° | 2.4° |
| C11 | C8 | C7 | H13 | 147.4° | 118.6° |
| C11 | C8 | C10 | H15 | 179.8° | 179.1° |
| C8 | C11 | O37 | H41 | 0.3° | 90.0° |
| C35 | C45 | C42 | O48 | 2.3° | 1.7° |
| C35 | C45 | C42 | C41 | 179.0° | 179.1° |
| C35 | C45 | C42 | C40 | 178.5° | 178.4° |
| C35 | C45 | C41 | C44 | 179.0° | 179.2° |
| C45 | C35 | H7 | H8 | 116.6° | 116.8° |
| C35 | C45 | C41 | H29 | 1.0° | 0.5° |
| O71 | P59 | C13 | C10 | 170.9° | 115.0° |
| O71 | P59 | C13 | O60 | 128.5° | 120.0° |
| O71 | P59 | C13 | O70 | 119.3° | 120.0° |
| O71 | P59 | O60 | O70 | 119.2° | 120.0° |
| O71 | P59 | O70 | H39 | 0.0° | 180.0° |
| O71 | P59 | O60 | H40 | 0.0° | 60.1° |
| C13 | C10 | C8 | H15 | 180.0° | 178.7° |
| C13 | C10 | C8 | C7 | 180.0° | 178.0° |
| C10 | C13 | P59 | O60 | 42.5° | 5.0° |
| C10 | C13 | P59 | O70 | 69.7° | 125.0° |
| C10 | C13 | C9 | H14 | 178.6° | 179.3° |
| P59 | C13 | C10 | C8 | 178.2° | 179.2° |
| C13 | P59 | O60 | O70 | 117.2° | 120.0° |
| P59 | C13 | C9 | H14 | 0.8° | 0.7° |
| P59 | C13 | C10 | H15 | 1.8° | 2.1° |
| C13 | P59 | O70 | H39 | 116.9° | 60.0° |
| C13 | P59 | O60 | H40 | 123.7° | 180.0° |
| C10 | C8 | C7 | C6 | 87.7° | 61.1° |
| C10 | C8 | C7 | H12 | 151.8° | 176.0° |
| C10 | C8 | C7 | H13 | 32.8° | 59.8° |
| C8 | C7 | C6 | H12 | 120.5° | 122.9° |
| C8 | C7 | C6 | H13 | 120.5° | 121.0° |
| C8 | C7 | C6 | C2 | 92.2° | 118.4° |
| C8 | C7 | C6 | C3 | 88.3° | 63.5° |
| C8 | C7 | H12 | H13 | 118.4° | 116.6° |
| C7 | C8 | C10 | H15 | 0.0° | 0.6° |
| O48 | C42 | C45 | C40 | 179.3° | 179.9° |
| O48 | C42 | C45 | C41 | 178.7° | 179.1° |
| O48 | C42 | C40 | C39 | 4.2° | 1.6° |
| O48 | C42 | C40 | C43 | 179.6° | 179.0° |
| O60 | P59 | O70 | H39 | 122.9° | 60.0° |
| O70 | P59 | O60 | H40 | 119.2° | 60.0° |
| O36 | C2 | C6 | C7 | 2.1° | 3.8° |
| O36 | C2 | C6 | C5 | 178.8° | 179.9° |
| O36 | C2 | C6 | C3 | 178.4° | 178.1° |
| O36 | C2 | C5 | C39 | 0.3° | 2.0° |
| O36 | C2 | C5 | C4 | 178.2° | 178.6° |
| C7 | C6 | C2 | C3 | 179.6° | 178.1° |
| C7 | C6 | C2 | C5 | 179.1° | 176.4° |
| C7 | C6 | C3 | C1 | 179.6° | 177.5° |
| C7 | C6 | C3 | H10 | 0.4° | 2.3° |
| C6 | C7 | H12 | H13 | 118.5° | 116.5° |
| C42 | C45 | C41 | C44 | 0.0° | 0.1° |
| C45 | C42 | C40 | C39 | 176.5° | 178.5° |
| C45 | C42 | C40 | C43 | 1.1° | 0.9° |
| C42 | C45 | C35 | H7 | 26.0° | 3.7° |
| C42 | C45 | C35 | H8 | 143.8° | 112.6° |
| C42 | C45 | C41 | H29 | 180.0° | 179.6° |
| C45 | C42 | O48 | H30 | 180.0° | 90.1° |
| C41 | C45 | C42 | C40 | 0.5° | 0.8° |
| C45 | C41 | C44 | H29 | 180.0° | 179.7° |
| C45 | C41 | C44 | C43 | 2.1° | 0.8° |
| C45 | C41 | C44 | P51 | 179.5° | 179.5° |
| C41 | C45 | C35 | H7 | 153.0° | 177.2° |
| C41 | C45 | C35 | H8 | 35.2° | 66.5° |
| C42 | C40 | C39 | C43 | 175.3° | 179.4° |
| C42 | C40 | C39 | C5 | 97.4° | 119.9° |
| C42 | C40 | C43 | C44 | 3.3° | 0.1° |
| C42 | C40 | C39 | H1 | 23.9° | 2.5° |
| C42 | C40 | C39 | H2 | 141.2° | 120.0° |
| C42 | C40 | C43 | H26 | 176.7° | 179.5° |
| C40 | C42 | O48 | H30 | 0.7° | 90.1° |
| C6 | C2 | C5 | C39 | 179.1° | 178.1° |
| C6 | C2 | C5 | C4 | 0.7° | 1.3° |
| C2 | C6 | C3 | C1 | 0.0° | 0.7° |
| C2 | C6 | C3 | H10 | 180.0° | 179.6° |
| C2 | C6 | C7 | H12 | 28.3° | 4.6° |
| C2 | C6 | C7 | H13 | 147.3° | 120.7° |
| C6 | C2 | O36 | H42 | 180.0° | 89.9° |
| C5 | C2 | C6 | C3 | 0.5° | 1.8° |
| C2 | C5 | C39 | C40 | 72.8° | 111.5° |
| C2 | C5 | C39 | C4 | 178.5° | 179.4° |
| C2 | C5 | C4 | C1 | 0.3° | 0.3° |
| C2 | C5 | C39 | H1 | 48.5° | 10.9° |
| C2 | C5 | C39 | H2 | 165.8° | 128.4° |
| C2 | C5 | C4 | H11 | 179.6° | 179.7° |
| C5 | C2 | O36 | H42 | 1.2° | 89.9° |
| C6 | C3 | C1 | H10 | 180.0° | 179.8° |
| C6 | C3 | C1 | C4 | 0.3° | 0.9° |
| C6 | C3 | C1 | P49 | 179.6° | 179.6° |
| C3 | C6 | C7 | H12 | 151.2° | 173.5° |
| C3 | C6 | C7 | H13 | 32.3° | 57.5° |
| C41 | C44 | C43 | C40 | 3.8° | 0.7° |
| C41 | C44 | C43 | P51 | 177.4° | 179.7° |
| C41 | C44 | P51 | O63 | 6.7° | 114.7° |
| C41 | C44 | P51 | O52 | 123.4° | 5.3° |
| C41 | C44 | P51 | O72 | 111.2° | 125.3° |
| C41 | C44 | C43 | H26 | 176.2° | 178.7° |
| C40 | C39 | C5 | H1 | 121.4° | 122.4° |
| C40 | C39 | C5 | H2 | 121.3° | 120.1° |
| C40 | C39 | C5 | C4 | 108.6° | 69.1° |
| C39 | C40 | C43 | C44 | 178.6° | 179.2° |
| C40 | C39 | H1 | H2 | 115.7° | 117.8° |
| C39 | C40 | C43 | H26 | 1.4° | 0.2° |
| C43 | C40 | C39 | C5 | 87.2° | 60.8° |
| C40 | C43 | C44 | H26 | 180.0° | 179.4° |
| C40 | C43 | C44 | P51 | 178.8° | 179.6° |
| C43 | C40 | C39 | H1 | 151.4° | 176.9° |
| C43 | C40 | C39 | H2 | 34.1° | 59.3° |
| C39 | C5 | C4 | C1 | 178.9° | 179.7° |
| C5 | C39 | H1 | H2 | 115.7° | 117.8° |
| C39 | C5 | C4 | H11 | 1.1° | 0.3° |
| C5 | C4 | C1 | C3 | 0.2° | 1.4° |
| C5 | C4 | C1 | H11 | 180.0° | 180.0° |
| C5 | C4 | C1 | P49 | 179.8° | 179.1° |
| C4 | C5 | C39 | H1 | 130.0° | 168.4° |
| C4 | C5 | C39 | H2 | 12.7° | 51.0° |
| C3 | C1 | C4 | P49 | 179.9° | 179.5° |
| C3 | C1 | P49 | O61 | 50.0° | 65.0° |
| C3 | C1 | P49 | O50 | 71.5° | 175.0° |
| C3 | C1 | P49 | O62 | 172.3° | 55.0° |
| C3 | C1 | C4 | H11 | 179.9° | 178.6° |
| C43 | C44 | P51 | O63 | 176.0° | 65.0° |
| C43 | C44 | P51 | O52 | 59.2° | 175.0° |
| C43 | C44 | P51 | O72 | 66.2° | 55.0° |
| C43 | C44 | C41 | H29 | 177.9° | 178.9° |
| C44 | P51 | O63 | O52 | 121.7° | 120.0° |
| C44 | P51 | O63 | O72 | 112.7° | 120.0° |
| C44 | P51 | O52 | O72 | 119.5° | 120.0° |
| C44 | P51 | O72 | H24 | 114.2° | 60.0° |
| C44 | P51 | O52 | H25 | 116.8° | 180.0° |
| P51 | C44 | C43 | H26 | 1.2° | 1.0° |
| P51 | C44 | C41 | H29 | 0.5° | 0.8° |
| O63 | P51 | O52 | O72 | 123.7° | 120.0° |
| O63 | P51 | O72 | H24 | 0.0° | 180.0° |
| O63 | P51 | O52 | H25 | 0.0° | 60.0° |
| C4 | C1 | P49 | O61 | 130.0° | 114.5° |
| C4 | C1 | P49 | O50 | 108.5° | 5.5° |
| C4 | C1 | P49 | O62 | 7.7° | 125.5° |
| C4 | C1 | C3 | H10 | 179.7° | 178.9° |
| C1 | P49 | O61 | O50 | 123.4° | 120.0° |
| C1 | P49 | O61 | O62 | 122.0° | 120.0° |
| C1 | P49 | O50 | O62 | 120.0° | 120.0° |
| P49 | C1 | C3 | H10 | 0.4° | 0.6° |
| P49 | C1 | C4 | H11 | 0.2° | 0.9° |
| C1 | P49 | O62 | H27 | 120.9° | 180.0° |
| C1 | P49 | O50 | H28 | 121.0° | 60.0° |
| O52 | P51 | O72 | H24 | 120.9° | 60.0° |
| O72 | P51 | O52 | H25 | 123.7° | 60.0° |
| O61 | P49 | O50 | O62 | 119.0° | 120.0° |
| O61 | P49 | O62 | H27 | 0.0° | 60.0° |
| O61 | P49 | O50 | H28 | 0.0° | 180.0° |
| O50 | P49 | O62 | H27 | 117.8° | 60.0° |
| O62 | P49 | O50 | H28 | 119.0° | 60.0° |
