A1BNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C54 | sing | 1.43Å | 1.42Å | |
| O18 | C49 | sing | 1.43Å | 1.43Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C53 | C52 | sing | 1.53Å | 1.52Å | |
| C55 | C54 | sing | 1.53Å | 1.52Å | |
| C55 | O21 | sing | 1.43Å | 1.42Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| O19 | C52 | sing | 1.43Å | 1.43Å | |
| O19 | C48 | sing | 1.43Å | 1.42Å | |
| C49 | C48 | sing | 1.53Å | 1.51Å | |
| C49 | C50 | sing | 1.53Å | 1.51Å | |
| O20 | C52 | sing | 1.43Å | 1.43Å | |
| O20 | C56 | sing | 1.43Å | 1.43Å | |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| C57 | C56 | sing | 1.53Å | 1.52Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C50 | O17 | sing | 1.43Å | 1.42Å | |
| C47 | C46 | sing | 1.53Å | 1.52Å | |
| O17 | C46 | sing | 1.43Å | 1.42Å | |
| C46 | O16 | sing | 1.43Å | 1.42Å | |
| O16 | C45 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | C58 | sing | 1.40Å | 1.38Å | Aromatic |
| C59 | C58 | sing | 1.51Å | 1.51Å | |
| C44 | C43 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C61 | sing | 1.51Å | 1.50Å | |
| C12 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C58 | C60 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.46Å | 1.38Å | Aromatic |
| C7 | N1 | sing | 1.38Å | 1.34Å | Aromatic |
| C43 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.42Å | 1.40Å | Aromatic |
| C60 | C42 | sing | 1.41Å | 1.40Å | Aromatic |
| C60 | O23 | sing | 1.36Å | 1.36Å | |
| C18 | C17 | sing | 1.36Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.34Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C42 | C41 | doub | 1.41Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.37Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | doub | 1.41Å | 1.39Å | Aromatic |
| C41 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C41 | O15 | sing | 1.35Å | 1.36Å | |
| O1 | C13 | doub | 1.21Å | 1.23Å | |
| C3 | C13 | sing | 1.51Å | 1.50Å | |
| C3 | N | sing | 1.46Å | 1.45Å | |
| C13 | O | sing | 1.34Å | 1.44Å | |
| O | C14 | sing | 1.45Å | 1.43Å | |
| C16 | C | sing | 1.53Å | 1.54Å | |
| N | C2 | sing | 1.35Å | 1.32Å | |
| C19 | C20 | sing | 1.47Å | 1.50Å | |
| O3 | C1 | sing | 1.43Å | 1.42Å | |
| O3 | C15 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | O14 | doub | 1.21Å | 1.22Å | |
| C21 | O4 | sing | 1.43Å | 1.43Å | |
| O4 | C22 | sing | 1.43Å | 1.43Å | |
| C22 | O5 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| O5 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | O7 | sing | 1.43Å | 1.43Å | |
| C25 | O6 | sing | 1.43Å | 1.43Å | |
| O7 | C28 | sing | 1.43Å | 1.42Å | |
| C28 | O8 | sing | 1.43Å | 1.42Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| O8 | C32 | sing | 1.43Å | 1.42Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | O10 | sing | 1.43Å | 1.43Å | |
| C31 | O9 | sing | 1.43Å | 1.43Å | |
| O11 | C36 | sing | 1.43Å | 1.43Å | |
| C34 | O10 | sing | 1.43Å | 1.42Å | |
| C34 | O12 | sing | 1.43Å | 1.43Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C38 | O12 | sing | 1.43Å | 1.43Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | C40 | sing | 1.53Å | 1.52Å | |
| O13 | C37 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| O15 | H9 | sing | 0.97Å | 0.95Å | |
| O23 | H10 | sing | 0.97Å | 0.95Å | |
| C59 | H11 | sing | 1.09Å | 1.10Å | |
| C59 | H12 | sing | 1.09Å | 1.10Å | |
| C59 | H13 | sing | 1.09Å | 1.10Å | |
| C44 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| N | H23 | sing | 0.97Å | 1.00Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C61 | H28 | sing | 1.09Å | 1.10Å | |
| C61 | H29 | sing | 1.09Å | 1.10Å | |
| C61 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C48 | H34 | sing | 1.09Å | 1.10Å | |
| C49 | H35 | sing | 1.09Å | 1.10Å | |
| C50 | H36 | sing | 1.09Å | 1.10Å | |
| C51 | H37 | sing | 1.09Å | 1.10Å | |
| C51 | H38 | sing | 1.09Å | 1.10Å | |
| C51 | H39 | sing | 1.09Å | 1.10Å | |
| O18 | H40 | sing | 0.97Å | 0.95Å | |
| C52 | H41 | sing | 1.09Å | 1.10Å | |
| C53 | H42 | sing | 1.09Å | 1.10Å | |
| C53 | H43 | sing | 1.09Å | 1.10Å | |
| C54 | H44 | sing | 1.09Å | 1.10Å | |
| C55 | H45 | sing | 1.09Å | 1.10Å | |
| C56 | H46 | sing | 1.09Å | 1.10Å | |
| C57 | H47 | sing | 1.09Å | 1.10Å | |
| C57 | H48 | sing | 1.09Å | 1.10Å | |
| C57 | H49 | sing | 1.09Å | 1.10Å | |
| O22 | H50 | sing | 0.97Å | 0.95Å | |
| O21 | H51 | sing | 0.97Å | 0.95Å | |
| C22 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C23 | H54 | sing | 1.09Å | 1.10Å | |
| C24 | H55 | sing | 1.09Å | 1.10Å | |
| C25 | H56 | sing | 1.09Å | 1.10Å | |
| C26 | H57 | sing | 1.09Å | 1.10Å | |
| C27 | H58 | sing | 1.09Å | 1.10Å | |
| C27 | H59 | sing | 1.09Å | 1.10Å | |
| C27 | H60 | sing | 1.09Å | 1.10Å | |
| O6 | H61 | sing | 0.97Å | 0.95Å | |
| C28 | H62 | sing | 1.09Å | 1.10Å | |
| C29 | H63 | sing | 1.09Å | 1.10Å | |
| C29 | H64 | sing | 1.09Å | 1.10Å | |
| C30 | H65 | sing | 1.09Å | 1.10Å | |
| C31 | H66 | sing | 1.09Å | 1.10Å | |
| C32 | H67 | sing | 1.09Å | 1.10Å | |
| C33 | H68 | sing | 1.09Å | 1.10Å | |
| C33 | H69 | sing | 1.09Å | 1.10Å | |
| C33 | H70 | sing | 1.09Å | 1.10Å | |
| O9 | H71 | sing | 0.97Å | 0.95Å | |
| C34 | H72 | sing | 1.09Å | 1.10Å | |
| C35 | H73 | sing | 1.09Å | 1.10Å | |
| C35 | H74 | sing | 1.09Å | 1.10Å | |
| C37 | H75 | sing | 1.09Å | 1.10Å | |
| C38 | H76 | sing | 1.09Å | 1.10Å | |
| C39 | H77 | sing | 1.09Å | 1.10Å | |
| C39 | H78 | sing | 1.09Å | 1.10Å | |
| C39 | H79 | sing | 1.09Å | 1.10Å | |
| C40 | H80 | sing | 1.09Å | 1.10Å | |
| C40 | H81 | sing | 1.09Å | 1.10Å | |
| C40 | H82 | sing | 1.09Å | 1.10Å | |
| O11 | H83 | sing | 0.97Å | 0.95Å | |
| O13 | H84 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C54 | C53 | 109.2° | 109.5° |
| O22 | C54 | C55 | 109.2° | 109.6° |
| O22 | C54 | H44 | 109.9° | 109.5° |
| C54 | O22 | H50 | 109.5° | 114.0° |
| O18 | C49 | C48 | 109.7° | 109.5° |
| O18 | C49 | C50 | 109.9° | 109.5° |
| O18 | C49 | H35 | 110.6° | 109.6° |
| C49 | O18 | H40 | 109.5° | 114.0° |
| C54 | C53 | C52 | 110.5° | 109.2° |
| C53 | C54 | C55 | 111.1° | 109.1° |
| C54 | C53 | H42 | 109.2° | 109.6° |
| C54 | C53 | H43 | 109.2° | 109.5° |
| C53 | C54 | H44 | 108.7° | 109.5° |
| C53 | C52 | O19 | 107.4° | 109.5° |
| C53 | C52 | O20 | 110.3° | 109.4° |
| C53 | C52 | H41 | 108.7° | 109.5° |
| C52 | C53 | H42 | 109.2° | 109.5° |
| C52 | C53 | H43 | 109.2° | 109.5° |
| C54 | C55 | O21 | 107.3° | 109.5° |
| C54 | C55 | C56 | 110.1° | 109.2° |
| C55 | C54 | H44 | 108.7° | 109.5° |
| C54 | C55 | H45 | 109.2° | 109.5° |
| O21 | C55 | C56 | 110.5° | 109.5° |
| O21 | C55 | H45 | 110.5° | 109.5° |
| C55 | O21 | H51 | 109.5° | 114.0° |
| C55 | C56 | O20 | 108.9° | 109.4° |
| C55 | C56 | C57 | 111.6° | 109.5° |
| C56 | C55 | H45 | 109.1° | 109.6° |
| C55 | C56 | H46 | 108.6° | 109.5° |
| C52 | O19 | C48 | 112.6° | 114.0° |
| O19 | C52 | O20 | 110.5° | 109.5° |
| O19 | C52 | H41 | 110.0° | 109.5° |
| O19 | C48 | C49 | 107.4° | 109.6° |
| O19 | C48 | C47 | 111.6° | 109.6° |
| O19 | C48 | H34 | 109.9° | 109.5° |
| C48 | C49 | C50 | 107.9° | 109.2° |
| C49 | C48 | C47 | 110.7° | 109.0° |
| C49 | C48 | H34 | 108.6° | 109.5° |
| C48 | C49 | H35 | 109.3° | 109.5° |
| C49 | C50 | C51 | 112.3° | 109.5° |
| C49 | C50 | O17 | 107.2° | 109.5° |
| C50 | C49 | H35 | 109.3° | 109.6° |
| C49 | C50 | H36 | 108.6° | 109.5° |
| C52 | O20 | C56 | 112.3° | 114.1° |
| O20 | C52 | H41 | 109.9° | 109.5° |
| O20 | C56 | C57 | 109.3° | 109.5° |
| O20 | C56 | H46 | 109.9° | 109.4° |
| C51 | C50 | O17 | 110.4° | 109.5° |
| C51 | C50 | H36 | 108.5° | 109.5° |
| C50 | C51 | H37 | 109.5° | 109.5° |
| C50 | C51 | H38 | 109.4° | 109.5° |
| C50 | C51 | H39 | 109.5° | 109.5° |
| C57 | C56 | H46 | 108.6° | 109.5° |
| C56 | C57 | H47 | 109.5° | 109.5° |
| C56 | C57 | H48 | 109.5° | 109.5° |
| C56 | C57 | H49 | 109.5° | 109.5° |
| C48 | C47 | C46 | 110.4° | 109.2° |
| C48 | C47 | H32 | 109.2° | 109.5° |
| C48 | C47 | H33 | 109.3° | 109.6° |
| C47 | C48 | H34 | 108.5° | 109.6° |
| C50 | O17 | C46 | 112.8° | 114.1° |
| O17 | C50 | H36 | 109.9° | 109.5° |
| C47 | C46 | O17 | 110.4° | 109.4° |
| C47 | C46 | O16 | 109.9° | 109.5° |
| C47 | C46 | H31 | 109.2° | 109.4° |
| C46 | C47 | H32 | 109.3° | 109.5° |
| C46 | C47 | H33 | 109.2° | 109.5° |
| O17 | C46 | O16 | 105.9° | 109.5° |
| O17 | C46 | H31 | 110.7° | 109.5° |
| C46 | O16 | C45 | 122.4° | 117.0° |
| O16 | C46 | H31 | 110.7° | 109.4° |
| O16 | C45 | C44 | 121.9° | 119.6° |
| O16 | C45 | C58 | 117.6° | 119.5° |
| C11 | C10 | C9 | 119.6° | 120.5° |
| C10 | C11 | C12 | 120.8° | 120.7° |
| C11 | C10 | H17 | 120.2° | 119.8° |
| C10 | C11 | H24 | 119.6° | 119.6° |
| C10 | C9 | C8 | 118.7° | 119.8° |
| C10 | C9 | H16 | 120.7° | 120.1° |
| C9 | C10 | H17 | 120.2° | 119.7° |
| C11 | C12 | C61 | 120.5° | 120.1° |
| C11 | C12 | C7 | 119.8° | 119.8° |
| C12 | C11 | H24 | 119.6° | 119.7° |
| C9 | C8 | C7 | 121.9° | 120.0° |
| C9 | C8 | C5 | 130.2° | 134.0° |
| C8 | C9 | H16 | 120.6° | 120.1° |
| C44 | C45 | C58 | 120.6° | 120.9° |
| C45 | C44 | C43 | 119.8° | 119.9° |
| C45 | C44 | H14 | 120.1° | 120.1° |
| C45 | C58 | C59 | 121.3° | 119.7° |
| C45 | C58 | C60 | 120.0° | 120.6° |
| C59 | C58 | C60 | 118.7° | 119.7° |
| C58 | C59 | H11 | 109.5° | 109.4° |
| C58 | C59 | H12 | 109.5° | 109.5° |
| C58 | C59 | H13 | 109.5° | 109.5° |
| C44 | C43 | C18 | 121.2° | 120.8° |
| C44 | C43 | C42 | 119.0° | 119.4° |
| C43 | C44 | H14 | 120.1° | 120.0° |
| C61 | C12 | C7 | 119.7° | 120.1° |
| C12 | C61 | H28 | 109.5° | 109.5° |
| C12 | C61 | H29 | 109.5° | 109.5° |
| C12 | C61 | H30 | 109.5° | 109.5° |
| C12 | C7 | C8 | 119.2° | 119.3° |
| C12 | C7 | N1 | 132.8° | 133.5° |
| C58 | C60 | C42 | 120.3° | 119.6° |
| C58 | C60 | O23 | 118.4° | 120.2° |
| C7 | C8 | C5 | 107.9° | 106.0° |
| C8 | C7 | N1 | 108.0° | 107.2° |
| C8 | C5 | C4 | 125.8° | 126.5° |
| C8 | C5 | C6 | 106.4° | 107.0° |
| C7 | N1 | C6 | 109.0° | 109.9° |
| C7 | N1 | H19 | 125.5° | 125.0° |
| C18 | C43 | C42 | 119.8° | 119.8° |
| C43 | C18 | C17 | 120.6° | 120.7° |
| C43 | C18 | H2 | 119.7° | 119.7° |
| C43 | C42 | C60 | 120.3° | 119.7° |
| C43 | C42 | C41 | 119.3° | 119.3° |
| C42 | C60 | O23 | 121.3° | 120.2° |
| C60 | C42 | C41 | 120.4° | 121.0° |
| C60 | O23 | H10 | 109.5° | 114.0° |
| C18 | C17 | C16 | 118.9° | 118.6° |
| C18 | C17 | C19 | 119.4° | 120.1° |
| C17 | C18 | H2 | 119.7° | 119.7° |
| C4 | C5 | C6 | 127.8° | 126.5° |
| C5 | C4 | C3 | 112.9° | 109.5° |
| C5 | C4 | H21 | 108.6° | 109.5° |
| C5 | C4 | H22 | 108.6° | 109.5° |
| C5 | C6 | N1 | 108.7° | 109.9° |
| C5 | C6 | H18 | 125.7° | 125.0° |
| C4 | C3 | C13 | 110.4° | 109.5° |
| C4 | C3 | N | 112.4° | 109.5° |
| C4 | C3 | H20 | 108.3° | 109.4° |
| C3 | C4 | H21 | 108.6° | 109.5° |
| C3 | C4 | H22 | 108.6° | 109.5° |
| C42 | C41 | C19 | 120.8° | 119.4° |
| C42 | C41 | O15 | 118.1° | 120.3° |
| N1 | C6 | H18 | 125.6° | 125.0° |
| C6 | N1 | H19 | 125.5° | 125.1° |
| C16 | C17 | C19 | 121.6° | 121.3° |
| C17 | C16 | C | 116.1° | 111.2° |
| C17 | C16 | H4 | 107.8° | 109.1° |
| C17 | C16 | H5 | 107.8° | 109.1° |
| C17 | C19 | C41 | 120.1° | 120.7° |
| C17 | C19 | C20 | 119.3° | 120.1° |
| C19 | C41 | O15 | 121.1° | 120.3° |
| C41 | C19 | C20 | 120.4° | 119.2° |
| C41 | O15 | H9 | 109.5° | 114.0° |
| O1 | C13 | C3 | 121.9° | 120.0° |
| O1 | C13 | O | 118.2° | 120.0° |
| C13 | C3 | N | 107.7° | 109.5° |
| C3 | C13 | O | 119.9° | 120.0° |
| C13 | C3 | H20 | 108.6° | 109.5° |
| C3 | N | C2 | 120.8° | 120.0° |
| N | C3 | H20 | 109.3° | 109.5° |
| C3 | N | H23 | 119.6° | 120.0° |
| C13 | O | C14 | 116.4° | 117.0° |
| O | C14 | H25 | 109.5° | 109.5° |
| O | C14 | H26 | 109.5° | 109.4° |
| O | C14 | H27 | 109.4° | 109.5° |
| C16 | C | C1 | 112.9° | 109.5° |
| C16 | C | C21 | 117.1° | 109.4° |
| C16 | C | H3 | 105.9° | 109.5° |
| C | C16 | H4 | 107.8° | 109.2° |
| C | C16 | H5 | 107.8° | 109.1° |
| N | C2 | C1 | 117.1° | 120.0° |
| N | C2 | O2 | 122.9° | 120.0° |
| C2 | N | H23 | 119.6° | 120.0° |
| C19 | C20 | C21 | 122.0° | 117.7° |
| C19 | C20 | O14 | 118.3° | 121.2° |
| C1 | O3 | C15 | 111.4° | 114.0° |
| O3 | C1 | C2 | 108.4° | 109.5° |
| O3 | C1 | C | 113.8° | 109.5° |
| O3 | C1 | H1 | 109.1° | 109.4° |
| O3 | C15 | H6 | 109.5° | 109.5° |
| O3 | C15 | H7 | 109.5° | 109.5° |
| O3 | C15 | H8 | 109.4° | 109.5° |
| C1 | C2 | O2 | 120.0° | 120.0° |
| C2 | C1 | C | 109.8° | 109.5° |
| C2 | C1 | H1 | 108.1° | 109.5° |
| C1 | C | C21 | 108.3° | 109.5° |
| C | C1 | H1 | 107.6° | 109.4° |
| C1 | C | H3 | 105.9° | 109.5° |
| C | C21 | C20 | 111.4° | 107.4° |
| C | C21 | O4 | 104.7° | 109.9° |
| C21 | C | H3 | 106.0° | 109.5° |
| C | C21 | H15 | 109.8° | 109.9° |
| C21 | C20 | O14 | 119.1° | 121.1° |
| C20 | C21 | O4 | 109.6° | 109.9° |
| C20 | C21 | H15 | 110.1° | 109.9° |
| C21 | O4 | C22 | 116.6° | 113.9° |
| O4 | C21 | H15 | 111.1° | 109.9° |
| O4 | C22 | O5 | 111.0° | 109.5° |
| O4 | C22 | C23 | 108.5° | 109.4° |
| O4 | C22 | H52 | 109.7° | 109.5° |
| O5 | C22 | C23 | 109.5° | 109.4° |
| C22 | O5 | C26 | 112.0° | 114.1° |
| O5 | C22 | H52 | 109.7° | 109.5° |
| C22 | C23 | C24 | 112.5° | 109.1° |
| C23 | C22 | H52 | 108.4° | 109.5° |
| C22 | C23 | H53 | 108.7° | 109.5° |
| C22 | C23 | H54 | 108.7° | 109.5° |
| O5 | C26 | C27 | 108.1° | 109.5° |
| O5 | C26 | C25 | 110.7° | 109.4° |
| O5 | C26 | H57 | 109.4° | 109.6° |
| C27 | C26 | C25 | 112.3° | 109.4° |
| C27 | C26 | H57 | 108.2° | 109.5° |
| C26 | C27 | H58 | 109.5° | 109.4° |
| C26 | C27 | H59 | 109.5° | 109.4° |
| C26 | C27 | H60 | 109.5° | 109.5° |
| C26 | C25 | C24 | 110.5° | 109.2° |
| C26 | C25 | O6 | 109.7° | 109.5° |
| C26 | C25 | H56 | 108.9° | 109.6° |
| C25 | C26 | H57 | 108.1° | 109.4° |
| C23 | C24 | C25 | 110.8° | 109.0° |
| C23 | C24 | O7 | 108.4° | 109.5° |
| C24 | C23 | H53 | 108.7° | 109.5° |
| C24 | C23 | H54 | 108.7° | 109.5° |
| C23 | C24 | H55 | 108.3° | 109.6° |
| C25 | C24 | O7 | 111.3° | 109.6° |
| C24 | C25 | O6 | 108.7° | 109.5° |
| C25 | C24 | H55 | 108.3° | 109.6° |
| C24 | C25 | H56 | 108.8° | 109.6° |
| C24 | O7 | C28 | 116.3° | 114.0° |
| O7 | C24 | H55 | 109.7° | 109.7° |
| O6 | C25 | H56 | 110.2° | 109.5° |
| C25 | O6 | H61 | 109.5° | 114.0° |
| O7 | C28 | O8 | 108.3° | 109.5° |
| O7 | C28 | C29 | 108.8° | 109.5° |
| O7 | C28 | H62 | 110.6° | 109.4° |
| O8 | C28 | C29 | 109.4° | 109.4° |
| C28 | O8 | C32 | 113.2° | 114.1° |
| O8 | C28 | H62 | 110.6° | 109.4° |
| C28 | C29 | C30 | 111.3° | 109.2° |
| C29 | C28 | H62 | 109.1° | 109.5° |
| C28 | C29 | H63 | 109.0° | 109.5° |
| C28 | C29 | H64 | 109.0° | 109.5° |
| O8 | C32 | C33 | 108.9° | 109.5° |
| O8 | C32 | C31 | 110.2° | 109.4° |
| O8 | C32 | H67 | 109.6° | 109.5° |
| C29 | C30 | C31 | 111.1° | 109.0° |
| C29 | C30 | O10 | 111.2° | 109.5° |
| C30 | C29 | H63 | 109.0° | 109.5° |
| C30 | C29 | H64 | 109.0° | 109.5° |
| C29 | C30 | H65 | 108.4° | 109.6° |
| C33 | C32 | C31 | 111.5° | 109.5° |
| C33 | C32 | H67 | 108.2° | 109.5° |
| C32 | C33 | H68 | 109.5° | 109.5° |
| C32 | C33 | H69 | 109.5° | 109.5° |
| C32 | C33 | H70 | 109.5° | 109.5° |
| C32 | C31 | C30 | 111.1° | 109.2° |
| C32 | C31 | O9 | 109.7° | 109.5° |
| C32 | C31 | H66 | 108.8° | 109.6° |
| C31 | C32 | H67 | 108.3° | 109.5° |
| C31 | C30 | O10 | 108.0° | 109.5° |
| C30 | C31 | O9 | 108.3° | 109.6° |
| C31 | C30 | H65 | 108.5° | 109.5° |
| C30 | C31 | H66 | 108.8° | 109.5° |
| C30 | O10 | C34 | 113.1° | 114.0° |
| O10 | C30 | H65 | 109.6° | 109.6° |
| O9 | C31 | H66 | 110.1° | 109.5° |
| C31 | O9 | H71 | 109.5° | 114.0° |
| O11 | C36 | C35 | 109.2° | 109.6° |
| O11 | C36 | C37 | 109.1° | 109.5° |
| O11 | C36 | C40 | 108.7° | 109.6° |
| C36 | O11 | H83 | 109.5° | 114.0° |
| O10 | C34 | O12 | 107.5° | 109.5° |
| O10 | C34 | C35 | 108.5° | 109.5° |
| O10 | C34 | H72 | 109.9° | 109.4° |
| O12 | C34 | C35 | 112.6° | 109.5° |
| C34 | O12 | C38 | 113.2° | 114.1° |
| O12 | C34 | H72 | 109.8° | 109.5° |
| C34 | C35 | C36 | 113.4° | 109.2° |
| C35 | C34 | H72 | 108.4° | 109.5° |
| C34 | C35 | H73 | 108.5° | 109.5° |
| C34 | C35 | H74 | 108.5° | 109.5° |
| O12 | C38 | C39 | 109.1° | 109.5° |
| O12 | C38 | C37 | 109.5° | 109.4° |
| O12 | C38 | H76 | 109.7° | 109.5° |
| C39 | C38 | C37 | 111.9° | 109.5° |
| C39 | C38 | H76 | 108.4° | 109.5° |
| C38 | C39 | H77 | 109.5° | 109.4° |
| C38 | C39 | H78 | 109.5° | 109.5° |
| C38 | C39 | H79 | 109.5° | 109.4° |
| C38 | C37 | C36 | 110.6° | 109.1° |
| C38 | C37 | O13 | 109.6° | 109.6° |
| C38 | C37 | H75 | 108.3° | 109.5° |
| C37 | C38 | H76 | 108.3° | 109.5° |
| C35 | C36 | C37 | 110.9° | 109.0° |
| C35 | C36 | C40 | 109.3° | 109.6° |
| C36 | C35 | H73 | 108.5° | 109.5° |
| C36 | C35 | H74 | 108.5° | 109.5° |
| C37 | C36 | C40 | 109.6° | 109.5° |
| C36 | C37 | O13 | 110.5° | 109.5° |
| C36 | C37 | H75 | 108.2° | 109.6° |
| C36 | C40 | H80 | 109.5° | 109.5° |
| C36 | C40 | H81 | 109.4° | 109.5° |
| C36 | C40 | H82 | 109.5° | 109.4° |
| O13 | C37 | H75 | 109.5° | 109.6° |
| C37 | O13 | H84 | 109.5° | 114.0° |
| H4 | C16 | H5 | 109.5° | 109.1° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H11 | C59 | H12 | 109.4° | 109.4° |
| H11 | C59 | H13 | 109.5° | 109.5° |
| H12 | C59 | H13 | 109.5° | 109.5° |
| H21 | C4 | H22 | 109.5° | 109.4° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H25 | C14 | H27 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.5° |
| H28 | C61 | H29 | 109.5° | 109.5° |
| H28 | C61 | H30 | 109.4° | 109.4° |
| H29 | C61 | H30 | 109.5° | 109.4° |
| H32 | C47 | H33 | 109.4° | 109.5° |
| H37 | C51 | H38 | 109.5° | 109.4° |
| H37 | C51 | H39 | 109.4° | 109.5° |
| H38 | C51 | H39 | 109.5° | 109.4° |
| H42 | C53 | H43 | 109.5° | 109.6° |
| H47 | C57 | H48 | 109.5° | 109.5° |
| H47 | C57 | H49 | 109.5° | 109.4° |
| H48 | C57 | H49 | 109.5° | 109.5° |
| H53 | C23 | H54 | 109.4° | 109.6° |
| H58 | C27 | H59 | 109.5° | 109.5° |
| H58 | C27 | H60 | 109.5° | 109.5° |
| H59 | C27 | H60 | 109.5° | 109.5° |
| H63 | C29 | H64 | 109.5° | 109.5° |
| H68 | C33 | H69 | 109.5° | 109.4° |
| H68 | C33 | H70 | 109.5° | 109.5° |
| H69 | C33 | H70 | 109.5° | 109.5° |
| H73 | C35 | H74 | 109.5° | 109.6° |
| H77 | C39 | H78 | 109.4° | 109.5° |
| H77 | C39 | H79 | 109.5° | 109.5° |
| H78 | C39 | H79 | 109.5° | 109.5° |
| H80 | C40 | H81 | 109.5° | 109.5° |
| H80 | C40 | H82 | 109.4° | 109.5° |
| H81 | C40 | H82 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C54 | C53 | C55 | 120.5° | 120.0° |
| O22 | C54 | C53 | H44 | 119.9° | 120.1° |
| O22 | C54 | C53 | C52 | 171.1° | 177.0° |
| O22 | C54 | C55 | H44 | 120.0° | 120.2° |
| O22 | C54 | C55 | O21 | 66.5° | 63.2° |
| O22 | C54 | C55 | C56 | 173.1° | 176.9° |
| O22 | C54 | C53 | H42 | 51.0° | 63.1° |
| O22 | C54 | C53 | H43 | 68.7° | 57.1° |
| O22 | C54 | C55 | H45 | 53.3° | 57.0° |
| O18 | C49 | C48 | O19 | 61.0° | 63.2° |
| O18 | C49 | C48 | C50 | 119.8° | 119.9° |
| O18 | C49 | C48 | H35 | 121.4° | 120.2° |
| O18 | C49 | C50 | H35 | 121.5° | 120.2° |
| O18 | C49 | C50 | C51 | 55.5° | 62.5° |
| O18 | C49 | C48 | C47 | 176.9° | 176.9° |
| O18 | C49 | C50 | O17 | 176.9° | 177.5° |
| O18 | C49 | C48 | H34 | 57.9° | 57.0° |
| O18 | C49 | C50 | H36 | 64.5° | 57.5° |
| C54 | C53 | C52 | H42 | 120.2° | 120.0° |
| C54 | C53 | C52 | H43 | 120.2° | 119.9° |
| C53 | C54 | C55 | H44 | 119.6° | 119.9° |
| C53 | C54 | C55 | O21 | 173.0° | 176.8° |
| C53 | C54 | C55 | C56 | 52.6° | 57.0° |
| C54 | C53 | C52 | O19 | 174.8° | 177.5° |
| C54 | C53 | C52 | O20 | 54.4° | 57.6° |
| C54 | C53 | C52 | H41 | 66.2° | 62.4° |
| C54 | C53 | H42 | H43 | 119.5° | 120.2° |
| C53 | C54 | C55 | H45 | 67.2° | 63.0° |
| C53 | C54 | O22 | H50 | 180.0° | 60.0° |
| C52 | C53 | C54 | C55 | 50.6° | 57.0° |
| C53 | C52 | O19 | O20 | 120.3° | 119.9° |
| C53 | C52 | O19 | H41 | 118.2° | 120.1° |
| C53 | C52 | O19 | C48 | 159.5° | 175.0° |
| C53 | C52 | O20 | H41 | 119.9° | 120.0° |
| C53 | C52 | O20 | C56 | 62.6° | 61.1° |
| C52 | C53 | H42 | H43 | 119.5° | 120.1° |
| C52 | C53 | C54 | H44 | 69.0° | 62.9° |
| C54 | C55 | O21 | C56 | 120.1° | 119.7° |
| C54 | C55 | O21 | H45 | 119.0° | 120.2° |
| C54 | C55 | C56 | H45 | 119.9° | 119.9° |
| C54 | C55 | C56 | O20 | 58.1° | 57.6° |
| C54 | C55 | C56 | C57 | 178.8° | 177.6° |
| C55 | C54 | C53 | H42 | 69.6° | 176.9° |
| C55 | C54 | C53 | H43 | 170.8° | 62.9° |
| C54 | C55 | C56 | H46 | 61.5° | 62.4° |
| C55 | C54 | O22 | H50 | 58.3° | 179.6° |
| C54 | C55 | O21 | H51 | 180.0° | 180.0° |
| O21 | C55 | C56 | H45 | 121.7° | 120.1° |
| O21 | C55 | C56 | O20 | 176.5° | 177.5° |
| O21 | C55 | C56 | C57 | 62.7° | 62.5° |
| O21 | C55 | C54 | H44 | 53.4° | 57.0° |
| O21 | C55 | C56 | H46 | 56.9° | 57.5° |
| C55 | C56 | O20 | C52 | 64.1° | 61.1° |
| C55 | C56 | O20 | C57 | 122.2° | 120.0° |
| C55 | C56 | O20 | H46 | 118.8° | 120.0° |
| C55 | C56 | C57 | H46 | 119.7° | 120.1° |
| C56 | C55 | C54 | H44 | 66.9° | 62.9° |
| C55 | C56 | C57 | H47 | 180.0° | 59.9° |
| C55 | C56 | C57 | H48 | 60.0° | 180.0° |
| C55 | C56 | C57 | H49 | 60.0° | 60.0° |
| C56 | C55 | O21 | H51 | 59.9° | 60.3° |
| C52 | O19 | C48 | C49 | 150.0° | 150.4° |
| O19 | C52 | O20 | H41 | 121.6° | 120.0° |
| O19 | C52 | O20 | C56 | 178.9° | 178.9° |
| C52 | O19 | C48 | C47 | 88.5° | 90.0° |
| C52 | O19 | C48 | H34 | 31.9° | 30.3° |
| O19 | C52 | C53 | H42 | 54.7° | 62.5° |
| O19 | C52 | C53 | H43 | 65.0° | 57.7° |
| O19 | C48 | C49 | C47 | 122.1° | 119.9° |
| O19 | C48 | C49 | H34 | 118.9° | 120.2° |
| O19 | C48 | C49 | C50 | 179.2° | 176.9° |
| C48 | O19 | C52 | O20 | 80.2° | 65.1° |
| O19 | C48 | C47 | H34 | 121.3° | 120.2° |
| O19 | C48 | C47 | C46 | 170.5° | 176.9° |
| O19 | C48 | C47 | H32 | 50.4° | 63.2° |
| O19 | C48 | C47 | H33 | 69.3° | 57.0° |
| O19 | C48 | C49 | H35 | 60.4° | 57.0° |
| C48 | O19 | C52 | H41 | 41.3° | 54.9° |
| C48 | C49 | C50 | H35 | 118.8° | 119.9° |
| C48 | C49 | C50 | C51 | 175.1° | 177.6° |
| C49 | C48 | C47 | H34 | 119.1° | 119.8° |
| C48 | C49 | C50 | O17 | 63.5° | 57.6° |
| C49 | C48 | C47 | C46 | 50.9° | 57.0° |
| C49 | C48 | C47 | H32 | 69.3° | 176.9° |
| C49 | C48 | C47 | H33 | 171.1° | 63.0° |
| C48 | C49 | C50 | H36 | 55.2° | 62.4° |
| C48 | C49 | O18 | H40 | 180.0° | 180.0° |
| C49 | C50 | C51 | O17 | 119.5° | 120.0° |
| C49 | C50 | C51 | H36 | 120.1° | 120.0° |
| C50 | C49 | C48 | C47 | 57.1° | 57.0° |
| C49 | C50 | O17 | H36 | 117.8° | 120.0° |
| C49 | C50 | O17 | C46 | 67.3° | 61.1° |
| C50 | C49 | C48 | H34 | 61.9° | 62.9° |
| C49 | C50 | C51 | H37 | 180.0° | 60.0° |
| C49 | C50 | C51 | H38 | 60.0° | 180.0° |
| C49 | C50 | C51 | H39 | 60.0° | 60.0° |
| C50 | C49 | O18 | H40 | 61.4° | 60.3° |
| C52 | O20 | C56 | C57 | 173.7° | 178.9° |
| O20 | C52 | C53 | H42 | 65.8° | 177.6° |
| O20 | C52 | C53 | H43 | 174.5° | 62.3° |
| C52 | O20 | C56 | H46 | 54.7° | 58.9° |
| O20 | C56 | C57 | H46 | 119.9° | 119.9° |
| C56 | O20 | C52 | H41 | 57.3° | 58.9° |
| O20 | C56 | C55 | H45 | 61.8° | 62.3° |
| O20 | C56 | C57 | H47 | 59.5° | 60.0° |
| O20 | C56 | C57 | H48 | 179.5° | 60.0° |
| O20 | C56 | C57 | H49 | 60.5° | 179.9° |
| C51 | C50 | O17 | H36 | 119.6° | 120.0° |
| C51 | C50 | O17 | C46 | 170.2° | 178.9° |
| C51 | C50 | C49 | H35 | 66.1° | 57.7° |
| C50 | C51 | H37 | H38 | 120.0° | 120.0° |
| C50 | C51 | H37 | H39 | 120.0° | 120.1° |
| C50 | C51 | H38 | H39 | 120.0° | 120.0° |
| C57 | C56 | C55 | H45 | 59.0° | 57.6° |
| C56 | C57 | H47 | H48 | 120.0° | 120.1° |
| C56 | C57 | H47 | H49 | 120.0° | 120.0° |
| C56 | C57 | H48 | H49 | 120.0° | 120.0° |
| C48 | C47 | C46 | H32 | 120.2° | 119.9° |
| C48 | C47 | C46 | H33 | 120.2° | 120.0° |
| C48 | C47 | C46 | O17 | 51.0° | 57.6° |
| C48 | C47 | C46 | O16 | 167.5° | 177.6° |
| C48 | C47 | C46 | H31 | 70.8° | 62.4° |
| C48 | C47 | H32 | H33 | 119.6° | 120.2° |
| C47 | C48 | C49 | H35 | 61.7° | 62.9° |
| C50 | O17 | C46 | C47 | 61.0° | 61.1° |
| C50 | O17 | C46 | O16 | 180.0° | 178.9° |
| C50 | O17 | C46 | H31 | 60.0° | 58.9° |
| O17 | C50 | C49 | H35 | 55.3° | 62.3° |
| O17 | C50 | C51 | H37 | 60.5° | 59.9° |
| O17 | C50 | C51 | H38 | 179.5° | 60.0° |
| O17 | C50 | C51 | H39 | 59.5° | 180.0° |
| C47 | C46 | O17 | O16 | 118.9° | 120.0° |
| C47 | C46 | O17 | H31 | 121.0° | 120.0° |
| C47 | C46 | O16 | H31 | 120.7° | 120.0° |
| C47 | C46 | O16 | C45 | 143.7° | 175.0° |
| C46 | C47 | H32 | H33 | 119.6° | 120.1° |
| C46 | C47 | C48 | H34 | 68.2° | 62.9° |
| O17 | C46 | O16 | H31 | 120.0° | 120.0° |
| O17 | C46 | O16 | C45 | 97.0° | 64.9° |
| O17 | C46 | C47 | H32 | 69.1° | 177.5° |
| O17 | C46 | C47 | H33 | 171.2° | 62.4° |
| C46 | O17 | C50 | H36 | 50.6° | 58.9° |
| C46 | O16 | C45 | C44 | 35.2° | 0.1° |
| C46 | O16 | C45 | C58 | 145.6° | 180.0° |
| O16 | C46 | C47 | H32 | 47.3° | 62.5° |
| O16 | C46 | C47 | H33 | 72.3° | 57.7° |
| O16 | C45 | C44 | C58 | 179.2° | 180.0° |
| O16 | C45 | C58 | C59 | 0.0° | 0.1° |
| O16 | C45 | C44 | C43 | 179.8° | 180.0° |
| O16 | C45 | C58 | C60 | 179.8° | 179.9° |
| O16 | C45 | C44 | H14 | 0.2° | 0.1° |
| C45 | O16 | C46 | H31 | 23.0° | 55.1° |
| C11 | C10 | C9 | H17 | 180.0° | 179.4° |
| C10 | C11 | C12 | H24 | 180.0° | 179.5° |
| C11 | C10 | C9 | C8 | 0.2° | 0.1° |
| C10 | C11 | C12 | C61 | 179.6° | 180.0° |
| C10 | C11 | C12 | C7 | 0.3° | 0.8° |
| C11 | C10 | C9 | H16 | 179.8° | 179.7° |
| C9 | C10 | C11 | C12 | 0.4° | 0.6° |
| C10 | C9 | C8 | H16 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 0.1° | 0.2° |
| C10 | C9 | C8 | C5 | 179.6° | 179.7° |
| C9 | C10 | C11 | H24 | 179.6° | 179.9° |
| C11 | C12 | C61 | C7 | 179.9° | 179.2° |
| C11 | C12 | C7 | C8 | 0.1° | 0.6° |
| C11 | C12 | C7 | N1 | 179.7° | 179.5° |
| C12 | C11 | C10 | H17 | 179.6° | 179.9° |
| C11 | C12 | C61 | H28 | 90.0° | 89.9° |
| C11 | C12 | C61 | H29 | 150.0° | 150.0° |
| C11 | C12 | C61 | H30 | 30.0° | 30.0° |
| C9 | C8 | C7 | C12 | 0.1° | 0.1° |
| C9 | C8 | C7 | C5 | 179.6° | 179.9° |
| C9 | C8 | C7 | N1 | 179.9° | 180.0° |
| C9 | C8 | C5 | C4 | 0.4° | 0.1° |
| C9 | C8 | C5 | C6 | 179.8° | 179.9° |
| C8 | C9 | C10 | H17 | 179.8° | 179.4° |
| C44 | C45 | C58 | C59 | 179.2° | 179.9° |
| C45 | C44 | C43 | H14 | 180.0° | 180.0° |
| C44 | C45 | C58 | C60 | 1.0° | 0.0° |
| C45 | C44 | C43 | C18 | 179.9° | 180.0° |
| C45 | C44 | C43 | C42 | 0.7° | 0.0° |
| C45 | C58 | C59 | C60 | 179.9° | 180.0° |
| C58 | C45 | C44 | C43 | 1.1° | 0.0° |
| C45 | C58 | C60 | C42 | 0.5° | 0.1° |
| C45 | C58 | C60 | O23 | 179.8° | 180.0° |
| C45 | C58 | C59 | H11 | 90.0° | 90.1° |
| C45 | C58 | C59 | H12 | 150.1° | 150.0° |
| C45 | C58 | C59 | H13 | 30.1° | 29.9° |
| C58 | C45 | C44 | H14 | 178.9° | 180.0° |
| C59 | C58 | C60 | C42 | 179.7° | 179.9° |
| C59 | C58 | C60 | O23 | 0.0° | 0.0° |
| C58 | C59 | H11 | H12 | 120.0° | 120.0° |
| C58 | C59 | H11 | H13 | 120.0° | 120.0° |
| C58 | C59 | H12 | H13 | 120.0° | 120.1° |
| C44 | C43 | C18 | C42 | 179.2° | 180.0° |
| C44 | C43 | C42 | C60 | 0.2° | 0.1° |
| C44 | C43 | C18 | C17 | 179.9° | 179.9° |
| C44 | C43 | C42 | C41 | 179.8° | 179.8° |
| C44 | C43 | C18 | H2 | 0.1° | 0.0° |
| C61 | C12 | C7 | C8 | 179.9° | 179.8° |
| C61 | C12 | C7 | N1 | 0.4° | 0.3° |
| C61 | C12 | C11 | H24 | 0.4° | 0.4° |
| C12 | C61 | H28 | H29 | 120.0° | 120.1° |
| C12 | C61 | H28 | H30 | 120.0° | 120.0° |
| C12 | C61 | H29 | H30 | 120.0° | 120.0° |
| C12 | C7 | C8 | N1 | 179.8° | 179.9° |
| C12 | C7 | C8 | C5 | 179.7° | 180.0° |
| C12 | C7 | N1 | C6 | 179.9° | 180.0° |
| C12 | C7 | N1 | H19 | 0.1° | 0.1° |
| C7 | C12 | C11 | H24 | 179.7° | 179.7° |
| C7 | C12 | C61 | H28 | 90.0° | 90.8° |
| C7 | C12 | C61 | H29 | 30.0° | 29.2° |
| C7 | C12 | C61 | H30 | 150.0° | 149.2° |
| C58 | C60 | C42 | C43 | 0.1° | 0.1° |
| C58 | C60 | C42 | O23 | 179.7° | 179.9° |
| C58 | C60 | C42 | C41 | 179.7° | 179.9° |
| C58 | C60 | O23 | H10 | 180.0° | 90.0° |
| C60 | C58 | C59 | H11 | 89.9° | 89.9° |
| C60 | C58 | C59 | H12 | 30.1° | 30.0° |
| C60 | C58 | C59 | H13 | 150.1° | 150.0° |
| C7 | C8 | C5 | C4 | 179.9° | 180.0° |
| C7 | C8 | C5 | C6 | 0.6° | 0.1° |
| C8 | C7 | N1 | C6 | 0.2° | 0.1° |
| C7 | C8 | C9 | H16 | 180.0° | 180.0° |
| C8 | C7 | N1 | H19 | 179.8° | 180.0° |
| C5 | C8 | C7 | N1 | 0.5° | 0.1° |
| C8 | C5 | C4 | C6 | 179.4° | 180.0° |
| C8 | C5 | C4 | C3 | 147.3° | 85.0° |
| C8 | C5 | C6 | N1 | 0.5° | 0.0° |
| C5 | C8 | C9 | H16 | 0.5° | 0.1° |
| C8 | C5 | C6 | H18 | 179.5° | 180.0° |
| C8 | C5 | C4 | H21 | 92.2° | 154.9° |
| C8 | C5 | C4 | H22 | 26.8° | 35.0° |
| C7 | N1 | C6 | C5 | 0.2° | 0.0° |
| C7 | N1 | C6 | H19 | 180.0° | 179.9° |
| C7 | N1 | C6 | H18 | 179.8° | 179.9° |
| C18 | C43 | C42 | C60 | 179.5° | 180.0° |
| C43 | C18 | C17 | H2 | 180.0° | 180.0° |
| C18 | C43 | C42 | C41 | 0.9° | 0.2° |
| C43 | C18 | C17 | C16 | 179.3° | 179.7° |
| C43 | C18 | C17 | C19 | 1.0° | 0.1° |
| C18 | C43 | C44 | H14 | 0.1° | 0.0° |
| C43 | C42 | C60 | C41 | 179.6° | 179.8° |
| C43 | C42 | C60 | O23 | 179.8° | 180.0° |
| C42 | C43 | C18 | C17 | 0.9° | 0.1° |
| C43 | C42 | C41 | C19 | 1.2° | 0.2° |
| C43 | C42 | C41 | O15 | 179.9° | 179.9° |
| C42 | C43 | C18 | H2 | 179.1° | 179.9° |
| C42 | C43 | C44 | H14 | 179.3° | 180.0° |
| C60 | C42 | C41 | C19 | 179.3° | 180.0° |
| C60 | C42 | C41 | O15 | 0.5° | 0.1° |
| C42 | C60 | O23 | H10 | 0.3° | 90.1° |
| O23 | C60 | C42 | C41 | 0.6° | 0.2° |
| C18 | C17 | C16 | C19 | 178.3° | 179.8° |
| C18 | C17 | C19 | C41 | 1.2° | 0.1° |
| C18 | C17 | C16 | C | 169.1° | 157.6° |
| C18 | C17 | C19 | C20 | 177.0° | 179.7° |
| C18 | C17 | C16 | H4 | 48.2° | 81.9° |
| C18 | C17 | C16 | H5 | 69.9° | 37.2° |
| C5 | C4 | C3 | H21 | 120.5° | 120.0° |
| C5 | C4 | C3 | H22 | 120.5° | 120.0° |
| C4 | C5 | C6 | N1 | 180.0° | 180.0° |
| C5 | C4 | C3 | C13 | 170.7° | 175.0° |
| C5 | C4 | C3 | N | 50.5° | 65.0° |
| C4 | C5 | C6 | H18 | 0.0° | 0.0° |
| C5 | C4 | C3 | H20 | 70.5° | 55.0° |
| C5 | C4 | H21 | H22 | 118.4° | 120.0° |
| C6 | C5 | C4 | C3 | 33.3° | 95.0° |
| C5 | C6 | N1 | H18 | 180.0° | 180.0° |
| C5 | C6 | N1 | H19 | 179.8° | 180.0° |
| C6 | C5 | C4 | H21 | 87.2° | 25.0° |
| C6 | C5 | C4 | H22 | 153.8° | 145.0° |
| C4 | C3 | C13 | O1 | 102.8° | 120.0° |
| C4 | C3 | C13 | N | 123.1° | 120.0° |
| C4 | C3 | C13 | H20 | 118.7° | 120.0° |
| C4 | C3 | N | H20 | 120.4° | 120.0° |
| C4 | C3 | C13 | O | 77.7° | 60.0° |
| C4 | C3 | N | C2 | 124.7° | 155.0° |
| C3 | C4 | H21 | H22 | 118.5° | 120.0° |
| C4 | C3 | N | H23 | 55.3° | 25.0° |
| C42 | C41 | C19 | C17 | 1.3° | 0.2° |
| C42 | C41 | C19 | O15 | 178.7° | 179.9° |
| C42 | C41 | C19 | C20 | 177.0° | 179.6° |
| C42 | C41 | O15 | H9 | 169.1° | 90.0° |
| C16 | C17 | C19 | C41 | 179.5° | 179.6° |
| C17 | C16 | C | H4 | 121.0° | 120.4° |
| C17 | C16 | C | H5 | 121.0° | 120.4° |
| C16 | C17 | C19 | C20 | 4.7° | 0.6° |
| C17 | C16 | C | C1 | 158.1° | 65.3° |
| C17 | C16 | C | C21 | 31.3° | 54.7° |
| C16 | C17 | C18 | H2 | 0.7° | 0.3° |
| C17 | C16 | C | H3 | 86.6° | 174.7° |
| C17 | C16 | H4 | H5 | 117.0° | 119.1° |
| C17 | C19 | C41 | C20 | 175.7° | 179.8° |
| C17 | C19 | C41 | O15 | 180.0° | 179.9° |
| C19 | C17 | C16 | C | 12.6° | 22.6° |
| C17 | C19 | C20 | C21 | 16.2° | 11.6° |
| C17 | C19 | C20 | O14 | 155.3° | 168.4° |
| C19 | C17 | C18 | H2 | 179.0° | 180.0° |
| C19 | C17 | C16 | H4 | 133.6° | 97.9° |
| C19 | C17 | C16 | H5 | 108.3° | 143.0° |
| C41 | C19 | C20 | C21 | 168.0° | 168.6° |
| C41 | C19 | C20 | O14 | 20.5° | 11.4° |
| C19 | C41 | O15 | H9 | 12.1° | 90.2° |
| O15 | C41 | C19 | C20 | 4.2° | 0.3° |
| O1 | C13 | C3 | O | 179.5° | 180.0° |
| O1 | C13 | C3 | N | 20.2° | 0.0° |
| O1 | C13 | O | C14 | 21.9° | 0.0° |
| O1 | C13 | C3 | H20 | 138.5° | 120.0° |
| C13 | C3 | N | H20 | 117.8° | 120.0° |
| C3 | C13 | O | C14 | 157.6° | 180.0° |
| C13 | C3 | N | C2 | 113.4° | 85.0° |
| C13 | C3 | C4 | H21 | 68.8° | 55.0° |
| C13 | C3 | C4 | H22 | 50.2° | 65.0° |
| C13 | C3 | N | H23 | 66.6° | 95.0° |
| N | C3 | C13 | O | 159.3° | 180.0° |
| C3 | N | C2 | H23 | 180.0° | 180.0° |
| C3 | N | C2 | C1 | 173.6° | 180.0° |
| C3 | N | C2 | O2 | 5.3° | 0.0° |
| N | C3 | C4 | H21 | 170.9° | 175.0° |
| N | C3 | C4 | H22 | 70.0° | 55.0° |
| O | C13 | C3 | H20 | 41.0° | 60.0° |
| C13 | O | C14 | H25 | 180.0° | 60.0° |
| C13 | O | C14 | H26 | 60.0° | 60.0° |
| C13 | O | C14 | H27 | 60.0° | 180.0° |
| O | C14 | H25 | H26 | 120.0° | 120.0° |
| O | C14 | H25 | H27 | 120.0° | 120.1° |
| O | C14 | H26 | H27 | 120.0° | 120.0° |
| C16 | C | C1 | O3 | 60.9° | 59.9° |
| C16 | C | C1 | C2 | 60.7° | 60.1° |
| C16 | C | C1 | C21 | 131.3° | 119.9° |
| C16 | C | C1 | H3 | 115.4° | 120.0° |
| C16 | C | C21 | H3 | 117.8° | 119.9° |
| C16 | C | C21 | C20 | 40.3° | 64.3° |
| C16 | C | C21 | O4 | 158.6° | 55.1° |
| C16 | C | C1 | H1 | 178.1° | 179.9° |
| C | C16 | H4 | H5 | 116.9° | 119.1° |
| C16 | C | C21 | H15 | 82.0° | 176.1° |
| N | C2 | C1 | O3 | 26.3° | 175.0° |
| N | C2 | C1 | O2 | 178.9° | 180.0° |
| N | C2 | C1 | C | 98.5° | 65.0° |
| N | C2 | C1 | H1 | 144.4° | 55.0° |
| C2 | N | C3 | H20 | 4.4° | 35.0° |
| C19 | C20 | C21 | C | 33.4° | 42.9° |
| C19 | C20 | C21 | O14 | 171.5° | 179.9° |
| C19 | C20 | C21 | O4 | 148.7° | 76.6° |
| C19 | C20 | C21 | H15 | 88.7° | 162.4° |
| O3 | C1 | C2 | C | 124.8° | 120.0° |
| O3 | C1 | C2 | H1 | 118.0° | 120.0° |
| O3 | C1 | C2 | O2 | 152.6° | 5.0° |
| O3 | C1 | C | H1 | 120.9° | 119.9° |
| O3 | C1 | C | C21 | 70.4° | 60.0° |
| O3 | C1 | C | H3 | 176.3° | 180.0° |
| C1 | O3 | C15 | H6 | 180.0° | 180.0° |
| C1 | O3 | C15 | H7 | 60.0° | 60.1° |
| C1 | O3 | C15 | H8 | 60.0° | 60.0° |
| C15 | O3 | C1 | C2 | 96.4° | 90.0° |
| C15 | O3 | C1 | C | 141.2° | 150.0° |
| C15 | O3 | C1 | H1 | 21.1° | 30.1° |
| O3 | C15 | H6 | H7 | 120.0° | 120.0° |
| O3 | C15 | H6 | H8 | 120.0° | 120.0° |
| O3 | C15 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | C | H1 | 117.4° | 120.0° |
| C2 | C1 | C | C21 | 168.0° | 180.0° |
| C2 | C1 | C | H3 | 54.7° | 59.9° |
| C1 | C2 | N | H23 | 6.4° | 0.0° |
| O2 | C2 | C1 | C | 82.6° | 115.0° |
| O2 | C2 | C1 | H1 | 34.6° | 125.0° |
| O2 | C2 | N | H23 | 174.7° | 180.0° |
| C1 | C | C21 | H3 | 113.2° | 120.1° |
| C1 | C | C21 | C20 | 169.3° | 55.6° |
| C1 | C | C21 | O4 | 72.4° | 175.1° |
| C1 | C | C16 | H4 | 81.0° | 174.3° |
| C1 | C | C16 | H5 | 37.1° | 55.2° |
| C1 | C | C21 | H15 | 47.0° | 63.9° |
| C | C21 | C20 | O4 | 115.4° | 119.5° |
| C | C21 | C20 | H15 | 122.1° | 119.5° |
| C | C21 | C20 | O14 | 138.1° | 137.2° |
| C | C21 | O4 | H15 | 118.5° | 121.0° |
| C | C21 | O4 | C22 | 152.6° | 150.0° |
| C21 | C | C1 | H1 | 50.6° | 60.0° |
| C21 | C | C16 | H4 | 152.3° | 65.7° |
| C21 | C | C16 | H5 | 89.7° | 175.2° |
| C20 | C21 | O4 | H15 | 122.0° | 121.0° |
| C20 | C21 | O4 | C22 | 87.9° | 92.1° |
| C20 | C21 | C | H3 | 77.5° | 175.7° |
| O14 | C20 | C21 | O4 | 22.7° | 103.3° |
| O14 | C20 | C21 | H15 | 99.8° | 17.7° |
| C21 | O4 | C22 | O5 | 79.4° | 65.0° |
| C21 | O4 | C22 | C23 | 160.2° | 175.1° |
| O4 | C21 | C | H3 | 40.8° | 64.8° |
| C21 | O4 | C22 | H52 | 42.0° | 55.1° |
| O4 | C22 | O5 | C23 | 119.7° | 119.9° |
| O4 | C22 | O5 | H52 | 121.4° | 120.1° |
| O4 | C22 | C23 | H52 | 119.0° | 120.0° |
| O4 | C22 | O5 | C26 | 178.0° | 178.9° |
| O4 | C22 | C23 | C24 | 175.9° | 177.6° |
| C22 | O4 | C21 | H15 | 34.1° | 29.0° |
| O4 | C22 | C23 | H53 | 63.7° | 62.5° |
| O4 | C22 | C23 | H54 | 55.4° | 57.7° |
| O5 | C22 | C23 | H52 | 119.7° | 120.0° |
| C22 | O5 | C26 | C27 | 172.7° | 178.8° |
| C22 | O5 | C26 | C25 | 63.9° | 61.2° |
| O5 | C22 | C23 | C24 | 54.6° | 57.6° |
| O5 | C22 | C23 | H53 | 175.1° | 177.5° |
| O5 | C22 | C23 | H54 | 65.9° | 62.3° |
| C22 | O5 | C26 | H57 | 55.1° | 58.8° |
| C23 | C22 | O5 | C26 | 62.2° | 61.2° |
| C22 | C23 | C24 | H53 | 120.5° | 119.9° |
| C22 | C23 | C24 | H54 | 120.5° | 119.9° |
| C22 | C23 | C24 | C25 | 48.8° | 57.0° |
| C22 | C23 | C24 | O7 | 171.2° | 176.8° |
| C22 | C23 | H53 | H54 | 118.6° | 120.2° |
| C22 | C23 | C24 | H55 | 69.9° | 62.9° |
| O5 | C26 | C27 | C25 | 122.4° | 119.9° |
| O5 | C26 | C27 | H57 | 118.4° | 120.1° |
| O5 | C26 | C25 | H57 | 119.8° | 120.0° |
| O5 | C26 | C25 | C24 | 55.9° | 57.6° |
| O5 | C26 | C25 | O6 | 175.8° | 177.5° |
| C26 | O5 | C22 | H52 | 56.6° | 58.8° |
| O5 | C26 | C25 | H56 | 63.5° | 62.3° |
| O5 | C26 | C27 | H58 | 180.0° | 59.9° |
| O5 | C26 | C27 | H59 | 60.0° | 60.1° |
| O5 | C26 | C27 | H60 | 60.0° | 179.9° |
| C27 | C26 | C25 | H57 | 119.3° | 120.0° |
| C27 | C26 | C25 | C24 | 176.8° | 177.6° |
| C27 | C26 | C25 | O6 | 63.3° | 62.5° |
| C27 | C26 | C25 | H56 | 57.3° | 57.6° |
| C26 | C27 | H58 | H59 | 120.0° | 119.9° |
| C26 | C27 | H58 | H60 | 120.0° | 120.0° |
| C26 | C27 | H59 | H60 | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 48.6° | 57.0° |
| C26 | C25 | C24 | O6 | 120.5° | 119.9° |
| C26 | C25 | C24 | H56 | 119.5° | 120.0° |
| C26 | C25 | C24 | O7 | 169.4° | 176.8° |
| C26 | C25 | O6 | H56 | 119.8° | 120.2° |
| C26 | C25 | C24 | H55 | 70.0° | 62.8° |
| C25 | C26 | C27 | H58 | 57.6° | 60.0° |
| C25 | C26 | C27 | H59 | 62.4° | 180.0° |
| C25 | C26 | C27 | H60 | 177.6° | 60.0° |
| C26 | C25 | O6 | H61 | 180.0° | 60.3° |
| C23 | C24 | C25 | O7 | 120.7° | 119.8° |
| C23 | C24 | C25 | H55 | 118.7° | 119.9° |
| C23 | C24 | O7 | H55 | 118.1° | 120.2° |
| C23 | C24 | C25 | O6 | 169.1° | 176.9° |
| C23 | C24 | O7 | C28 | 144.3° | 90.1° |
| C24 | C23 | C22 | H52 | 65.1° | 62.4° |
| C24 | C23 | H53 | H54 | 118.6° | 120.2° |
| C23 | C24 | C25 | H56 | 70.8° | 63.0° |
| C25 | C24 | O7 | H55 | 119.8° | 120.3° |
| C24 | C25 | O6 | H56 | 119.2° | 120.1° |
| C25 | C24 | O7 | C28 | 93.7° | 150.4° |
| C25 | C24 | C23 | H53 | 169.3° | 176.9° |
| C25 | C24 | C23 | H54 | 71.7° | 62.9° |
| C24 | C25 | C26 | H57 | 63.9° | 62.4° |
| C24 | C25 | O6 | H61 | 59.0° | 180.0° |
| O7 | C24 | C25 | O6 | 70.1° | 63.3° |
| C24 | O7 | C28 | O8 | 78.7° | 64.9° |
| C24 | O7 | C28 | C29 | 162.4° | 175.1° |
| O7 | C24 | C23 | H53 | 68.4° | 63.3° |
| O7 | C24 | C23 | H54 | 50.7° | 56.9° |
| O7 | C24 | C25 | H56 | 49.9° | 56.8° |
| C24 | O7 | C28 | H62 | 42.5° | 55.1° |
| O6 | C25 | C24 | H55 | 50.5° | 57.1° |
| O6 | C25 | C26 | H57 | 56.0° | 57.5° |
| O7 | C28 | O8 | C29 | 118.5° | 120.0° |
| O7 | C28 | O8 | H62 | 121.3° | 120.0° |
| O7 | C28 | C29 | H62 | 120.7° | 120.0° |
| O7 | C28 | O8 | C32 | 178.9° | 178.8° |
| O7 | C28 | C29 | C30 | 173.3° | 177.6° |
| C28 | O7 | C24 | H55 | 26.2° | 30.2° |
| O7 | C28 | C29 | H63 | 66.5° | 62.4° |
| O7 | C28 | C29 | H64 | 53.0° | 57.7° |
| O8 | C28 | C29 | H62 | 121.1° | 119.9° |
| O8 | C28 | C29 | C30 | 55.1° | 57.6° |
| C28 | O8 | C32 | C33 | 174.9° | 178.9° |
| C28 | O8 | C32 | C31 | 62.5° | 61.2° |
| O8 | C28 | C29 | H63 | 175.4° | 177.5° |
| O8 | C28 | C29 | H64 | 65.2° | 62.3° |
| C28 | O8 | C32 | H67 | 56.6° | 58.8° |
| C29 | C28 | O8 | C32 | 62.6° | 61.1° |
| C28 | C29 | C30 | H63 | 120.3° | 119.9° |
| C28 | C29 | C30 | H64 | 120.3° | 119.9° |
| C28 | C29 | C30 | C31 | 49.7° | 57.0° |
| C28 | C29 | C30 | O10 | 170.1° | 176.8° |
| C28 | C29 | H63 | H64 | 119.2° | 120.1° |
| C28 | C29 | C30 | H65 | 69.3° | 62.9° |
| O8 | C32 | C33 | C31 | 121.9° | 119.9° |
| O8 | C32 | C33 | H67 | 119.1° | 120.0° |
| O8 | C32 | C31 | H67 | 119.9° | 120.0° |
| O8 | C32 | C31 | C30 | 54.4° | 57.6° |
| O8 | C32 | C31 | O9 | 65.4° | 62.3° |
| C32 | O8 | C28 | H62 | 57.7° | 58.8° |
| O8 | C32 | C31 | H66 | 174.1° | 177.5° |
| O8 | C32 | C33 | H68 | 180.0° | 59.9° |
| O8 | C32 | C33 | H69 | 60.0° | 60.1° |
| O8 | C32 | C33 | H70 | 60.0° | 179.9° |
| C29 | C30 | C31 | C32 | 49.2° | 57.0° |
| C29 | C30 | C31 | O10 | 122.2° | 119.8° |
| C29 | C30 | C31 | H65 | 119.0° | 119.9° |
| C29 | C30 | O10 | H65 | 119.8° | 120.3° |
| C29 | C30 | C31 | O9 | 71.4° | 62.9° |
| C29 | C30 | O10 | C34 | 88.1° | 90.1° |
| C30 | C29 | C28 | H62 | 66.0° | 62.4° |
| C30 | C29 | H63 | H64 | 119.2° | 120.1° |
| C29 | C30 | C31 | H66 | 169.0° | 177.0° |
| C33 | C32 | C31 | H67 | 119.0° | 120.1° |
| C33 | C32 | C31 | C30 | 175.5° | 177.6° |
| C33 | C32 | C31 | O9 | 55.7° | 57.6° |
| C33 | C32 | C31 | H66 | 64.7° | 62.5° |
| C32 | C33 | H68 | H69 | 120.0° | 120.0° |
| C32 | C33 | H68 | H70 | 120.0° | 120.0° |
| C32 | C33 | H69 | H70 | 120.0° | 120.0° |
| C32 | C31 | C30 | O9 | 120.6° | 119.9° |
| C32 | C31 | C30 | H66 | 119.8° | 120.0° |
| C32 | C31 | C30 | O10 | 171.4° | 176.9° |
| C32 | C31 | O9 | H66 | 119.7° | 120.2° |
| C32 | C31 | C30 | H65 | 69.8° | 62.9° |
| C31 | C32 | C33 | H68 | 58.1° | 60.0° |
| C31 | C32 | C33 | H69 | 61.9° | 180.0° |
| C31 | C32 | C33 | H70 | 178.1° | 60.0° |
| C32 | C31 | O9 | H71 | 180.0° | 60.3° |
| C31 | C30 | O10 | H65 | 118.0° | 120.2° |
| C30 | C31 | O9 | H66 | 118.8° | 120.1° |
| C31 | C30 | O10 | C34 | 149.7° | 150.4° |
| C31 | C30 | C29 | H63 | 170.0° | 176.9° |
| C31 | C30 | C29 | H64 | 70.5° | 62.9° |
| C30 | C31 | C32 | H67 | 65.5° | 62.3° |
| C30 | C31 | O9 | H71 | 58.6° | 180.0° |
| O10 | C30 | C31 | O9 | 50.9° | 56.9° |
| C30 | O10 | C34 | O12 | 80.7° | 64.9° |
| C30 | O10 | C34 | C35 | 157.2° | 175.1° |
| O10 | C30 | C29 | H63 | 69.6° | 63.3° |
| O10 | C30 | C29 | H64 | 49.8° | 56.9° |
| O10 | C30 | C31 | H66 | 68.8° | 63.2° |
| C30 | O10 | C34 | H72 | 38.8° | 55.1° |
| O9 | C31 | C30 | H65 | 169.6° | 177.2° |
| O9 | C31 | C32 | H67 | 174.7° | 177.7° |
| O11 | C36 | C35 | C34 | 75.8° | 62.9° |
| O11 | C36 | C37 | C38 | 69.7° | 62.9° |
| O11 | C36 | C35 | C37 | 120.2° | 119.8° |
| O11 | C36 | C35 | C40 | 118.8° | 120.3° |
| O11 | C36 | C37 | C40 | 118.9° | 120.3° |
| O11 | C36 | C37 | O13 | 51.8° | 57.0° |
| O11 | C36 | C35 | H73 | 44.8° | 57.1° |
| O11 | C36 | C35 | H74 | 163.6° | 177.2° |
| O11 | C36 | C37 | H75 | 171.8° | 177.2° |
| O11 | C36 | C40 | H80 | 180.0° | 179.8° |
| O11 | C36 | C40 | H81 | 60.0° | 59.8° |
| O11 | C36 | C40 | H82 | 60.0° | 60.3° |
| O10 | C34 | O12 | C35 | 119.5° | 120.0° |
| O10 | C34 | O12 | H72 | 119.5° | 120.0° |
| O10 | C34 | C35 | H72 | 119.4° | 120.0° |
| O10 | C34 | O12 | C38 | 176.2° | 178.8° |
| O10 | C34 | C35 | C36 | 165.7° | 177.6° |
| C34 | O10 | C30 | H65 | 31.7° | 30.2° |
| O10 | C34 | C35 | H73 | 73.7° | 62.5° |
| O10 | C34 | C35 | H74 | 45.1° | 57.7° |
| O12 | C34 | C35 | H72 | 121.8° | 120.0° |
| C34 | O12 | C38 | C39 | 174.2° | 178.9° |
| C34 | O12 | C38 | C37 | 63.1° | 61.1° |
| O12 | C34 | C35 | C36 | 46.8° | 57.6° |
| O12 | C34 | C35 | H73 | 167.4° | 177.5° |
| O12 | C34 | C35 | H74 | 73.7° | 62.3° |
| C34 | O12 | C38 | H76 | 55.7° | 58.9° |
| C35 | C34 | O12 | C38 | 56.7° | 61.2° |
| C34 | C35 | C36 | H73 | 120.6° | 119.9° |
| C34 | C35 | C36 | H74 | 120.6° | 119.9° |
| C34 | C35 | C36 | C37 | 44.4° | 57.0° |
| C34 | C35 | C36 | C40 | 165.4° | 176.8° |
| C34 | C35 | H73 | H74 | 118.2° | 120.2° |
| O12 | C38 | C39 | C37 | 121.3° | 120.0° |
| O12 | C38 | C39 | H76 | 119.3° | 120.1° |
| O12 | C38 | C37 | H76 | 119.6° | 120.0° |
| O12 | C38 | C37 | C36 | 59.4° | 57.6° |
| O12 | C38 | C37 | O13 | 178.5° | 177.5° |
| C38 | O12 | C34 | H72 | 64.3° | 58.9° |
| O12 | C38 | C37 | H75 | 59.0° | 62.3° |
| O12 | C38 | C39 | H77 | 180.0° | 60.0° |
| O12 | C38 | C39 | H78 | 60.0° | 180.0° |
| O12 | C38 | C39 | H79 | 60.0° | 60.0° |
| C39 | C38 | C37 | H76 | 119.4° | 120.0° |
| C39 | C38 | C37 | C36 | 179.5° | 177.6° |
| C39 | C38 | C37 | O13 | 57.4° | 62.5° |
| C39 | C38 | C37 | H75 | 62.1° | 57.7° |
| C38 | C39 | H77 | H78 | 120.0° | 120.0° |
| C38 | C39 | H77 | H79 | 120.0° | 119.9° |
| C38 | C39 | H78 | H79 | 120.0° | 120.0° |
| C38 | C37 | C36 | C35 | 50.6° | 57.0° |
| C38 | C37 | C36 | O13 | 121.6° | 119.9° |
| C38 | C37 | C36 | H75 | 118.5° | 119.9° |
| C38 | C37 | C36 | C40 | 171.3° | 176.8° |
| C38 | C37 | O13 | H75 | 118.8° | 120.1° |
| C37 | C38 | C39 | H77 | 58.7° | 179.9° |
| C37 | C38 | C39 | H78 | 61.3° | 60.0° |
| C37 | C38 | C39 | H79 | 178.7° | 60.0° |
| C38 | C37 | O13 | H84 | 180.0° | 60.4° |
| C35 | C36 | C37 | C40 | 120.8° | 119.9° |
| C35 | C36 | C37 | O13 | 172.1° | 176.9° |
| C36 | C35 | C34 | H72 | 74.9° | 62.4° |
| C36 | C35 | H73 | H74 | 118.2° | 120.1° |
| C35 | C36 | C37 | H75 | 67.9° | 62.9° |
| C35 | C36 | C40 | H80 | 60.9° | 60.0° |
| C35 | C36 | C40 | H81 | 179.1° | 180.0° |
| C35 | C36 | C40 | H82 | 59.1° | 60.0° |
| C35 | C36 | O11 | H83 | 180.0° | 60.0° |
| C36 | C37 | O13 | H75 | 119.1° | 120.2° |
| C37 | C36 | C35 | H73 | 165.0° | 176.9° |
| C37 | C36 | C35 | H74 | 76.2° | 62.9° |
| C36 | C37 | C38 | H76 | 60.1° | 62.4° |
| C37 | C36 | C40 | H80 | 60.9° | 59.6° |
| C37 | C36 | C40 | H81 | 59.2° | 60.4° |
| C37 | C36 | C40 | H82 | 179.2° | 179.5° |
| C37 | C36 | O11 | H83 | 58.7° | 179.6° |
| C36 | C37 | O13 | H84 | 57.9° | 180.0° |
| C40 | C36 | C37 | O13 | 67.1° | 63.2° |
| C40 | C36 | C35 | H73 | 74.1° | 63.3° |
| C40 | C36 | C35 | H74 | 44.8° | 56.9° |
| C40 | C36 | C37 | H75 | 52.8° | 57.0° |
| C36 | C40 | H80 | H81 | 120.0° | 120.0° |
| C36 | C40 | H80 | H82 | 120.0° | 119.9° |
| C36 | C40 | H81 | H82 | 120.0° | 120.0° |
| C40 | C36 | O11 | H83 | 60.8° | 60.3° |
| O13 | C37 | C38 | H76 | 61.9° | 57.5° |
| H1 | C1 | C | H3 | 62.7° | 60.1° |
| H3 | C | C16 | H4 | 34.4° | 54.2° |
| H3 | C | C16 | H5 | 152.5° | 64.9° |
| H3 | C | C21 | H15 | 160.2° | 56.2° |
| H6 | C15 | H7 | H8 | 120.0° | 120.0° |
| H11 | C59 | H12 | H13 | 120.0° | 120.0° |
| H16 | C9 | C10 | H17 | 0.2° | 0.4° |
| H17 | C10 | C11 | H24 | 0.4° | 0.6° |
| H18 | C6 | N1 | H19 | 0.2° | 0.0° |
| H20 | C3 | C4 | H21 | 50.0° | 65.0° |
| H20 | C3 | C4 | H22 | 169.0° | 175.0° |
| H20 | C3 | N | H23 | 175.6° | 145.0° |
| H25 | C14 | H26 | H27 | 120.0° | 120.0° |
| H28 | C61 | H29 | H30 | 119.9° | 119.9° |
| H31 | C46 | C47 | H32 | 169.0° | 57.5° |
| H31 | C46 | C47 | H33 | 49.3° | 177.6° |
| H32 | C47 | C48 | H34 | 171.6° | 57.0° |
| H33 | C47 | C48 | H34 | 52.0° | 177.2° |
| H34 | C48 | C49 | H35 | 179.3° | 177.2° |
| H35 | C49 | C50 | H36 | 174.0° | 177.7° |
| H35 | C49 | O18 | H40 | 59.4° | 59.9° |
| H36 | C50 | C51 | H37 | 60.0° | 180.0° |
| H36 | C50 | C51 | H38 | 60.0° | 60.0° |
| H36 | C50 | C51 | H39 | 179.9° | 60.0° |
| H37 | C51 | H38 | H39 | 120.0° | 120.0° |
| H41 | C52 | C53 | H42 | 173.6° | 57.6° |
| H41 | C52 | C53 | H43 | 53.9° | 177.7° |
| H42 | C53 | C54 | H44 | 170.9° | 57.0° |
| H43 | C53 | C54 | H44 | 51.2° | 177.2° |
| H44 | C54 | C55 | H45 | 173.2° | 177.1° |
| H44 | C54 | O22 | H50 | 60.9° | 60.1° |
| H45 | C55 | C56 | H46 | 178.6° | 177.7° |
| H45 | C55 | O21 | H51 | 61.0° | 59.9° |
| H46 | C56 | C57 | H47 | 60.3° | 180.0° |
| H46 | C56 | C57 | H48 | 59.7° | 59.9° |
| H46 | C56 | C57 | H49 | 179.7° | 60.1° |
| H47 | C57 | H48 | H49 | 120.0° | 119.9° |
| H52 | C22 | C23 | H53 | 55.4° | 57.5° |
| H52 | C22 | C23 | H54 | 174.4° | 177.7° |
| H53 | C23 | C24 | H55 | 50.6° | 57.0° |
| H54 | C23 | C24 | H55 | 169.7° | 177.2° |
| H55 | C24 | C25 | H56 | 170.5° | 177.1° |
| H56 | C25 | C26 | H57 | 176.6° | 177.6° |
| H56 | C25 | O6 | H61 | 60.1° | 59.9° |
| H57 | C26 | C27 | H58 | 61.6° | 180.0° |
| H57 | C26 | C27 | H59 | 178.4° | 60.1° |
| H57 | C26 | C27 | H60 | 58.4° | 60.0° |
| H58 | C27 | H59 | H60 | 120.0° | 120.0° |
| H62 | C28 | C29 | H63 | 54.3° | 57.6° |
| H62 | C28 | C29 | H64 | 173.7° | 177.7° |
| H63 | C29 | C30 | H65 | 51.0° | 57.0° |
| H64 | C29 | C30 | H65 | 170.4° | 177.2° |
| H65 | C30 | C31 | H66 | 50.0° | 57.1° |
| H66 | C31 | C32 | H67 | 54.3° | 57.6° |
| H66 | C31 | O9 | H71 | 60.3° | 59.9° |
| H67 | C32 | C33 | H68 | 60.9° | 179.9° |
| H67 | C32 | C33 | H69 | 179.1° | 60.0° |
| H67 | C32 | C33 | H70 | 59.1° | 60.0° |
| H68 | C33 | H69 | H70 | 120.0° | 120.0° |
| H72 | C34 | C35 | H73 | 45.7° | 57.5° |
| H72 | C34 | C35 | H74 | 164.5° | 177.7° |
| H75 | C37 | C38 | H76 | 178.6° | 177.7° |
| H75 | C37 | O13 | H84 | 61.2° | 59.8° |
| H76 | C38 | C39 | H77 | 60.7° | 60.1° |
| H76 | C38 | C39 | H78 | 179.3° | 59.9° |
| H76 | C38 | C39 | H79 | 59.3° | 179.9° |
| H77 | C39 | H78 | H79 | 120.0° | 120.1° |
| H80 | C40 | H81 | H82 | 120.0° | 120.0° |
