6O6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C57 | C56 | sing | 1.53Å | 1.54Å | |
| O1 | C13 | doub | 1.21Å | 1.22Å | |
| O21 | C55 | sing | 1.43Å | 1.43Å | |
| C56 | C55 | sing | 1.53Å | 1.52Å | |
| C56 | O20 | sing | 1.43Å | 1.44Å | |
| C55 | C54 | sing | 1.53Å | 1.52Å | |
| C13 | C3 | sing | 1.51Å | 1.49Å | |
| C13 | O | sing | 1.34Å | 1.45Å | |
| C6 | N1 | sing | 1.37Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.34Å | 1.40Å | Aromatic |
| N1 | C7 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C5 | C8 | sing | 1.47Å | 1.48Å | Aromatic |
| C3 | N | sing | 1.47Å | 1.45Å | |
| O20 | C52 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | doub | 1.41Å | 1.48Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| O | C14 | sing | 1.45Å | 1.44Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | doub | 1.37Å | 1.40Å | Aromatic |
| C54 | O22 | sing | 1.43Å | 1.43Å | |
| C54 | C53 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| N | C2 | sing | 1.35Å | 1.35Å | |
| O18 | C49 | sing | 1.43Å | 1.44Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | O19 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| O19 | C48 | sing | 1.43Å | 1.45Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| C50 | C51 | sing | 1.53Å | 1.51Å | |
| C50 | O17 | sing | 1.43Å | 1.45Å | |
| C40 | C36 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C1 | O3 | sing | 1.43Å | 1.43Å | |
| C | C16 | sing | 1.53Å | 1.52Å | |
| C | C21 | sing | 1.54Å | 1.56Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| O17 | C46 | sing | 1.43Å | 1.45Å | |
| C46 | O16 | sing | 1.43Å | 1.43Å | |
| O11 | C36 | sing | 1.43Å | 1.44Å | |
| C18 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C18 | C43 | sing | 1.41Å | 1.39Å | Aromatic |
| O3 | C15 | sing | 1.43Å | 1.43Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C17 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C44 | C43 | doub | 1.40Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| O4 | C21 | sing | 1.43Å | 1.42Å | |
| O4 | C22 | sing | 1.43Å | 1.40Å | |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C43 | C42 | sing | 1.42Å | 1.40Å | Aromatic |
| O16 | C45 | sing | 1.36Å | 1.36Å | |
| C45 | C58 | doub | 1.40Å | 1.39Å | Aromatic |
| O13 | C37 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.47Å | 1.50Å | |
| C19 | C41 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C20 | O14 | doub | 1.21Å | 1.25Å | |
| C22 | O5 | sing | 1.43Å | 1.42Å | |
| C42 | C41 | sing | 1.41Å | 1.40Å | Aromatic |
| C42 | C60 | doub | 1.41Å | 1.40Å | Aromatic |
| C34 | O10 | sing | 1.43Å | 1.40Å | |
| C34 | O12 | sing | 1.43Å | 1.43Å | |
| O5 | C26 | sing | 1.43Å | 1.44Å | |
| O7 | C24 | sing | 1.43Å | 1.43Å | |
| O7 | C28 | sing | 1.43Å | 1.42Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C41 | O15 | sing | 1.35Å | 1.35Å | |
| O10 | C30 | sing | 1.43Å | 1.45Å | |
| C58 | C60 | sing | 1.38Å | 1.38Å | Aromatic |
| C58 | C59 | sing | 1.51Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C60 | O23 | sing | 1.36Å | 1.36Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | O6 | sing | 1.43Å | 1.43Å | |
| C38 | O12 | sing | 1.43Å | 1.41Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C28 | O8 | sing | 1.43Å | 1.42Å | |
| O9 | C31 | sing | 1.43Å | 1.38Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| O8 | C32 | sing | 1.43Å | 1.42Å | |
| C31 | C32 | sing | 1.53Å | 1.49Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| O11 | H37 | sing | 0.97Å | 0.95Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| O13 | H39 | sing | 0.97Å | 0.95Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| O9 | H44 | sing | 0.97Å | 0.95Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| O6 | H51 | sing | 0.97Å | 0.95Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| O15 | H56 | sing | 0.97Å | 0.95Å | |
| C44 | H57 | sing | 1.08Å | 1.08Å | |
| C59 | H58 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H60 | sing | 1.09Å | 1.10Å | |
| O23 | H61 | sing | 0.97Å | 0.95Å | |
| C46 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| C47 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | H65 | sing | 1.09Å | 1.10Å | |
| C49 | H66 | sing | 1.09Å | 1.10Å | |
| O18 | H67 | sing | 0.97Å | 0.95Å | |
| C50 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | H69 | sing | 1.09Å | 1.10Å | |
| C51 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C53 | H73 | sing | 1.09Å | 1.10Å | |
| C53 | H74 | sing | 1.09Å | 1.10Å | |
| C54 | H75 | sing | 1.09Å | 1.10Å | |
| O22 | H76 | sing | 0.97Å | 0.95Å | |
| C55 | H77 | sing | 1.09Å | 1.10Å | |
| O21 | H78 | sing | 0.97Å | 0.95Å | |
| C56 | H79 | sing | 1.09Å | 1.10Å | |
| C57 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | H81 | sing | 1.09Å | 1.10Å | |
| C57 | H82 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C57 | C56 | C55 | 109.7° | 109.5° |
| C57 | C56 | O20 | 110.0° | 109.5° |
| C57 | C56 | H79 | 108.5° | 109.5° |
| C56 | C57 | H80 | 109.5° | 109.5° |
| C56 | C57 | H81 | 109.5° | 109.5° |
| C56 | C57 | H82 | 109.5° | 109.5° |
| O1 | C13 | C3 | 119.9° | 120.0° |
| O1 | C13 | O | 118.4° | 120.0° |
| O21 | C55 | C56 | 110.2° | 109.6° |
| O21 | C55 | C54 | 109.0° | 109.5° |
| O21 | C55 | H77 | 110.0° | 109.5° |
| C55 | O21 | H78 | 109.5° | 114.0° |
| C55 | C56 | O20 | 110.2° | 109.4° |
| C56 | C55 | C54 | 110.3° | 109.2° |
| C56 | C55 | H77 | 108.7° | 109.6° |
| C55 | C56 | H79 | 108.6° | 109.5° |
| C56 | O20 | C52 | 114.2° | 114.2° |
| O20 | C56 | H79 | 109.9° | 109.4° |
| C55 | C54 | O22 | 108.5° | 109.5° |
| C55 | C54 | C53 | 109.2° | 109.0° |
| C55 | C54 | H75 | 108.5° | 109.6° |
| C54 | C55 | H77 | 108.7° | 109.5° |
| C3 | C13 | O | 121.6° | 120.0° |
| C13 | C3 | C4 | 109.4° | 109.5° |
| C13 | C3 | N | 115.8° | 109.5° |
| C13 | C3 | H5 | 109.1° | 109.5° |
| C13 | O | C14 | 118.9° | 117.0° |
| N1 | C6 | C5 | 110.8° | 110.0° |
| C6 | N1 | C7 | 111.6° | 109.9° |
| C6 | N1 | H2 | 124.2° | 125.1° |
| N1 | C6 | H9 | 124.6° | 125.0° |
| C6 | C5 | C4 | 129.7° | 126.5° |
| C6 | C5 | C8 | 105.3° | 107.0° |
| C5 | C6 | H9 | 124.6° | 125.1° |
| N1 | C7 | C8 | 106.9° | 107.2° |
| N1 | C7 | C12 | 134.8° | 133.5° |
| C7 | N1 | H2 | 124.1° | 125.0° |
| C5 | C4 | C3 | 110.7° | 109.5° |
| C4 | C5 | C8 | 125.0° | 126.5° |
| C5 | C4 | H6 | 109.2° | 109.5° |
| C5 | C4 | H7 | 109.1° | 109.4° |
| C4 | C3 | N | 104.3° | 109.4° |
| C4 | C3 | H5 | 108.4° | 109.5° |
| C3 | C4 | H6 | 109.2° | 109.5° |
| C3 | C4 | H7 | 109.2° | 109.4° |
| C5 | C8 | C7 | 105.4° | 106.0° |
| C5 | C8 | C9 | 132.4° | 134.0° |
| C3 | N | C2 | 121.4° | 120.0° |
| C3 | N | H4 | 119.3° | 120.0° |
| N | C3 | H5 | 109.6° | 109.4° |
| O20 | C52 | C53 | 113.1° | 109.4° |
| O20 | C52 | O19 | 110.1° | 109.5° |
| O20 | C52 | H72 | 108.7° | 109.5° |
| C8 | C7 | C12 | 118.3° | 119.3° |
| C7 | C8 | C9 | 122.3° | 120.0° |
| C7 | C12 | C11 | 118.9° | 119.8° |
| C7 | C12 | H16 | 120.5° | 120.1° |
| C8 | C9 | C10 | 117.3° | 119.7° |
| C8 | C9 | H10 | 121.3° | 120.1° |
| O | C14 | H13 | 109.5° | 109.5° |
| O | C14 | H14 | 109.4° | 109.4° |
| O | C14 | H15 | 109.5° | 109.5° |
| C12 | C11 | C10 | 122.0° | 120.7° |
| C12 | C11 | H12 | 119.0° | 119.7° |
| C11 | C12 | H16 | 120.5° | 120.1° |
| O2 | C2 | N | 124.9° | 120.0° |
| O2 | C2 | C1 | 117.5° | 120.0° |
| C9 | C10 | C11 | 121.2° | 120.5° |
| C10 | C9 | H10 | 121.3° | 120.1° |
| C9 | C10 | H11 | 119.4° | 119.7° |
| O22 | C54 | C53 | 112.2° | 109.6° |
| O22 | C54 | H75 | 109.8° | 109.5° |
| C54 | O22 | H76 | 109.5° | 114.0° |
| C54 | C53 | C52 | 110.3° | 109.2° |
| C54 | C53 | H73 | 109.2° | 109.5° |
| C54 | C53 | H74 | 109.3° | 109.6° |
| C53 | C54 | H75 | 108.5° | 109.5° |
| C11 | C10 | H11 | 119.4° | 119.8° |
| C10 | C11 | H12 | 119.0° | 119.6° |
| N | C2 | C1 | 117.6° | 120.0° |
| C2 | N | H4 | 119.3° | 119.9° |
| O18 | C49 | C48 | 107.3° | 109.5° |
| O18 | C49 | C50 | 112.9° | 109.6° |
| O18 | C49 | H66 | 110.4° | 109.5° |
| C49 | O18 | H67 | 109.5° | 114.0° |
| C53 | C52 | O19 | 108.5° | 109.5° |
| C53 | C52 | H72 | 107.5° | 109.4° |
| C52 | C53 | H73 | 109.3° | 109.6° |
| C52 | C53 | H74 | 109.3° | 109.5° |
| C52 | O19 | C48 | 112.7° | 114.0° |
| O19 | C52 | H72 | 108.8° | 109.5° |
| C2 | C1 | C | 108.6° | 109.4° |
| C2 | C1 | O3 | 111.2° | 109.4° |
| C2 | C1 | H3 | 107.9° | 109.5° |
| O19 | C48 | C49 | 108.9° | 109.5° |
| O19 | C48 | C47 | 112.9° | 109.6° |
| O19 | C48 | H65 | 108.5° | 109.6° |
| C49 | C48 | C47 | 111.2° | 109.0° |
| C48 | C49 | C50 | 107.6° | 109.2° |
| C49 | C48 | H65 | 107.6° | 109.6° |
| C48 | C49 | H66 | 109.3° | 109.5° |
| C48 | C47 | C46 | 112.5° | 109.2° |
| C48 | C47 | H63 | 108.7° | 109.5° |
| C48 | C47 | H64 | 108.7° | 109.6° |
| C47 | C48 | H65 | 107.5° | 109.5° |
| C49 | C50 | C51 | 111.4° | 109.5° |
| C49 | C50 | O17 | 110.3° | 109.4° |
| C50 | C49 | H66 | 109.2° | 109.5° |
| C49 | C50 | H68 | 108.7° | 109.5° |
| C51 | C50 | O17 | 107.7° | 109.5° |
| C51 | C50 | H68 | 108.9° | 109.5° |
| C50 | C51 | H69 | 109.5° | 109.5° |
| C50 | C51 | H70 | 109.5° | 109.5° |
| C50 | C51 | H71 | 109.5° | 109.5° |
| C50 | O17 | C46 | 114.5° | 114.1° |
| O17 | C50 | H68 | 109.8° | 109.5° |
| C40 | C36 | O11 | 112.8° | 109.7° |
| C40 | C36 | C35 | 110.8° | 109.5° |
| C40 | C36 | C37 | 109.2° | 109.5° |
| C36 | C40 | H34 | 109.5° | 109.5° |
| C36 | C40 | H35 | 109.5° | 109.4° |
| C36 | C40 | H36 | 109.5° | 109.5° |
| C | C1 | O3 | 112.7° | 109.5° |
| C1 | C | C16 | 113.4° | 109.5° |
| C1 | C | C21 | 113.2° | 109.4° |
| C1 | C | H1 | 105.2° | 109.6° |
| C | C1 | H3 | 107.5° | 109.5° |
| C1 | O3 | C15 | 111.8° | 114.0° |
| O3 | C1 | H3 | 108.8° | 109.5° |
| C16 | C | C21 | 113.6° | 109.3° |
| C | C16 | C17 | 118.0° | 111.3° |
| C16 | C | H1 | 105.3° | 109.5° |
| C | C16 | H17 | 107.3° | 109.1° |
| C | C16 | H18 | 107.3° | 109.2° |
| C | C21 | O4 | 114.5° | 109.9° |
| C | C21 | C20 | 121.5° | 107.4° |
| C21 | C | H1 | 105.0° | 109.4° |
| C | C21 | H22 | 98.5° | 109.8° |
| C16 | C17 | C18 | 116.2° | 118.6° |
| C16 | C17 | C19 | 123.6° | 121.3° |
| C17 | C16 | H17 | 107.3° | 109.1° |
| C17 | C16 | H18 | 107.3° | 109.1° |
| C47 | C46 | O17 | 113.1° | 109.4° |
| C47 | C46 | O16 | 107.8° | 109.5° |
| C47 | C46 | H62 | 108.8° | 109.5° |
| C46 | C47 | H63 | 108.7° | 109.5° |
| C46 | C47 | H64 | 108.7° | 109.5° |
| O17 | C46 | O16 | 107.0° | 109.5° |
| O17 | C46 | H62 | 109.9° | 109.5° |
| C46 | O16 | C45 | 123.0° | 117.0° |
| O16 | C46 | H62 | 110.2° | 109.5° |
| O11 | C36 | C35 | 104.8° | 109.5° |
| O11 | C36 | C37 | 106.4° | 109.6° |
| C36 | O11 | H37 | 109.5° | 114.1° |
| C17 | C18 | C43 | 120.9° | 120.7° |
| C18 | C17 | C19 | 120.1° | 120.1° |
| C17 | C18 | H8 | 119.5° | 119.6° |
| C18 | C43 | C44 | 121.7° | 120.9° |
| C18 | C43 | C42 | 118.8° | 119.7° |
| C43 | C18 | H8 | 119.6° | 119.6° |
| O3 | C15 | H19 | 109.5° | 109.5° |
| O3 | C15 | H20 | 109.5° | 109.4° |
| O3 | C15 | H21 | 109.4° | 109.5° |
| C35 | C36 | C37 | 112.7° | 109.0° |
| C36 | C35 | C34 | 109.2° | 109.2° |
| C36 | C35 | H32 | 109.5° | 109.5° |
| C36 | C35 | H33 | 109.6° | 109.6° |
| C36 | C37 | O13 | 109.1° | 109.5° |
| C36 | C37 | C38 | 110.6° | 109.2° |
| C36 | C37 | H38 | 107.4° | 109.5° |
| C17 | C19 | C20 | 119.5° | 120.1° |
| C17 | C19 | C41 | 118.9° | 120.7° |
| C35 | C34 | O10 | 111.5° | 109.5° |
| C35 | C34 | O12 | 106.6° | 109.4° |
| C35 | C34 | H31 | 107.9° | 109.5° |
| C34 | C35 | H32 | 109.5° | 109.5° |
| C34 | C35 | H33 | 109.5° | 109.5° |
| C43 | C44 | C45 | 119.2° | 119.9° |
| C44 | C43 | C42 | 119.4° | 119.4° |
| C43 | C44 | H57 | 120.4° | 120.0° |
| C44 | C45 | O16 | 122.4° | 119.6° |
| C44 | C45 | C58 | 121.3° | 120.8° |
| C45 | C44 | H57 | 120.4° | 120.0° |
| C21 | O4 | C22 | 116.8° | 114.0° |
| O4 | C21 | C20 | 116.9° | 109.9° |
| O4 | C21 | H22 | 99.3° | 109.9° |
| O4 | C22 | C23 | 102.0° | 109.5° |
| O4 | C22 | O5 | 109.0° | 109.5° |
| O4 | C22 | H23 | 111.7° | 109.5° |
| C21 | C20 | C19 | 119.2° | 117.7° |
| C21 | C20 | O14 | 116.3° | 121.1° |
| C20 | C21 | H22 | 98.9° | 109.9° |
| C43 | C42 | C41 | 120.2° | 119.4° |
| C43 | C42 | C60 | 120.6° | 119.6° |
| O16 | C45 | C58 | 116.3° | 119.6° |
| C45 | C58 | C60 | 119.6° | 120.6° |
| C45 | C58 | C59 | 121.7° | 119.7° |
| O13 | C37 | C38 | 113.6° | 109.5° |
| O13 | C37 | H38 | 108.7° | 109.6° |
| C37 | O13 | H39 | 109.5° | 114.0° |
| C20 | C19 | C41 | 121.4° | 119.2° |
| C19 | C20 | O14 | 123.4° | 121.1° |
| C19 | C41 | C42 | 121.0° | 119.3° |
| C19 | C41 | O15 | 122.7° | 120.3° |
| C22 | C23 | C24 | 111.4° | 109.2° |
| C23 | C22 | O5 | 112.4° | 109.4° |
| C23 | C22 | H23 | 110.0° | 109.5° |
| C22 | C23 | H24 | 109.0° | 109.5° |
| C22 | C23 | H25 | 109.0° | 109.5° |
| C23 | C24 | O7 | 104.5° | 109.6° |
| C23 | C24 | C25 | 112.6° | 109.1° |
| C24 | C23 | H24 | 109.0° | 109.5° |
| C24 | C23 | H25 | 109.0° | 109.5° |
| C23 | C24 | H26 | 108.7° | 109.5° |
| C37 | C38 | O12 | 97.9° | 109.4° |
| C37 | C38 | C39 | 111.0° | 109.5° |
| C38 | C37 | H38 | 107.2° | 109.5° |
| C37 | C38 | H40 | 111.6° | 109.5° |
| C22 | O5 | C26 | 109.2° | 114.1° |
| O5 | C22 | H23 | 111.4° | 109.5° |
| C41 | C42 | C60 | 119.2° | 121.0° |
| C42 | C41 | O15 | 116.4° | 120.4° |
| C42 | C60 | C58 | 119.9° | 119.7° |
| C42 | C60 | O23 | 121.4° | 120.1° |
| O10 | C34 | O12 | 112.4° | 109.5° |
| C34 | O10 | C30 | 117.2° | 114.0° |
| O10 | C34 | H31 | 109.4° | 109.5° |
| C34 | O12 | C38 | 108.6° | 114.1° |
| O12 | C34 | H31 | 109.0° | 109.5° |
| O5 | C26 | C25 | 108.6° | 109.4° |
| O5 | C26 | C27 | 108.8° | 109.5° |
| O5 | C26 | H52 | 109.2° | 109.5° |
| C24 | O7 | C28 | 113.6° | 114.0° |
| O7 | C24 | C25 | 112.3° | 109.5° |
| O7 | C24 | H26 | 109.9° | 109.6° |
| O7 | C28 | C29 | 109.5° | 109.5° |
| O7 | C28 | O8 | 103.1° | 109.5° |
| O7 | C28 | H27 | 111.1° | 109.5° |
| C28 | C29 | C30 | 109.7° | 109.2° |
| C29 | C28 | O8 | 112.5° | 109.4° |
| C29 | C28 | H27 | 109.5° | 109.4° |
| C28 | C29 | H28 | 109.4° | 109.6° |
| C28 | C29 | H29 | 109.4° | 109.5° |
| C29 | C30 | O10 | 108.1° | 109.6° |
| C29 | C30 | C31 | 107.4° | 109.0° |
| C30 | C29 | H28 | 109.4° | 109.5° |
| C30 | C29 | H29 | 109.4° | 109.5° |
| C29 | C30 | H30 | 108.5° | 109.6° |
| C41 | O15 | H56 | 109.5° | 114.0° |
| O10 | C30 | C31 | 114.4° | 109.5° |
| O10 | C30 | H30 | 109.6° | 109.6° |
| C60 | C58 | C59 | 118.7° | 119.7° |
| C58 | C60 | O23 | 118.6° | 120.2° |
| C58 | C59 | H58 | 109.5° | 109.5° |
| C58 | C59 | H59 | 109.5° | 109.5° |
| C58 | C59 | H60 | 109.4° | 109.4° |
| C24 | C25 | C26 | 109.8° | 109.2° |
| C24 | C25 | O6 | 109.5° | 109.5° |
| C25 | C24 | H26 | 108.7° | 109.5° |
| C24 | C25 | H50 | 109.3° | 109.5° |
| C60 | O23 | H61 | 109.5° | 113.9° |
| C26 | C25 | O6 | 108.2° | 109.6° |
| C25 | C26 | C27 | 113.9° | 109.5° |
| C26 | C25 | H50 | 109.3° | 109.5° |
| C25 | C26 | H52 | 108.1° | 109.4° |
| O6 | C25 | H50 | 110.7° | 109.6° |
| C25 | O6 | H51 | 109.5° | 114.0° |
| O12 | C38 | C39 | 110.0° | 109.5° |
| O12 | C38 | H40 | 113.7° | 109.5° |
| C39 | C38 | H40 | 111.9° | 109.5° |
| C38 | C39 | H41 | 109.5° | 109.5° |
| C38 | C39 | H42 | 109.5° | 109.5° |
| C38 | C39 | H43 | 109.5° | 109.5° |
| C28 | O8 | C32 | 114.9° | 114.1° |
| O8 | C28 | H27 | 111.1° | 109.5° |
| O9 | C31 | C30 | 81.3° | 109.5° |
| O9 | C31 | C32 | 129.9° | 109.5° |
| C31 | O9 | H44 | 109.5° | 114.0° |
| O9 | C31 | H45 | 107.4° | 109.5° |
| C30 | C31 | C32 | 123.1° | 109.2° |
| C31 | C30 | H30 | 108.6° | 109.5° |
| C30 | C31 | H45 | 105.7° | 109.5° |
| C27 | C26 | H52 | 108.2° | 109.5° |
| C26 | C27 | H53 | 109.5° | 109.5° |
| C26 | C27 | H54 | 109.5° | 109.5° |
| C26 | C27 | H55 | 109.4° | 109.5° |
| O8 | C32 | C31 | 104.5° | 109.5° |
| O8 | C32 | C33 | 113.0° | 109.5° |
| O8 | C32 | H46 | 110.7° | 109.4° |
| C31 | C32 | C33 | 109.8° | 109.5° |
| C32 | C31 | H45 | 106.2° | 109.6° |
| C31 | C32 | H46 | 109.6° | 109.5° |
| C33 | C32 | H46 | 109.1° | 109.4° |
| C32 | C33 | H47 | 109.5° | 109.4° |
| C32 | C33 | H48 | 109.5° | 109.5° |
| C32 | C33 | H49 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.4° | 109.4° |
| H13 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.4° | 109.0° |
| H19 | C15 | H20 | 109.5° | 109.4° |
| H19 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.6° |
| H28 | C29 | H29 | 109.5° | 109.6° |
| H32 | C35 | H33 | 109.5° | 109.5° |
| H34 | C40 | H35 | 109.5° | 109.5° |
| H34 | C40 | H36 | 109.5° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.5° |
| H41 | C39 | H42 | 109.5° | 109.5° |
| H41 | C39 | H43 | 109.5° | 109.5° |
| H42 | C39 | H43 | 109.5° | 109.5° |
| H47 | C33 | H48 | 109.4° | 109.5° |
| H47 | C33 | H49 | 109.5° | 109.5° |
| H48 | C33 | H49 | 109.4° | 109.5° |
| H53 | C27 | H54 | 109.5° | 109.4° |
| H53 | C27 | H55 | 109.5° | 109.4° |
| H54 | C27 | H55 | 109.5° | 109.5° |
| H58 | C59 | H59 | 109.5° | 109.5° |
| H58 | C59 | H60 | 109.4° | 109.4° |
| H59 | C59 | H60 | 109.5° | 109.5° |
| H63 | C47 | H64 | 109.5° | 109.4° |
| H69 | C51 | H70 | 109.5° | 109.5° |
| H69 | C51 | H71 | 109.4° | 109.4° |
| H70 | C51 | H71 | 109.4° | 109.4° |
| H73 | C53 | H74 | 109.5° | 109.5° |
| H80 | C57 | H81 | 109.5° | 109.4° |
| H80 | C57 | H82 | 109.4° | 109.4° |
| H81 | C57 | H82 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C57 | C56 | C55 | O21 | 60.0° | 62.5° |
| C57 | C56 | C55 | O20 | 121.2° | 120.0° |
| C57 | C56 | C55 | H79 | 118.4° | 120.1° |
| C57 | C56 | O20 | H79 | 119.4° | 120.1° |
| C57 | C56 | C55 | C54 | 179.7° | 177.6° |
| C57 | C56 | O20 | C52 | 177.7° | 178.9° |
| C57 | C56 | C55 | H77 | 60.6° | 57.7° |
| C56 | C57 | H80 | H81 | 120.0° | 120.0° |
| C56 | C57 | H80 | H82 | 120.0° | 120.0° |
| C56 | C57 | H81 | H82 | 120.0° | 120.0° |
| O1 | C13 | C3 | O | 179.3° | 180.0° |
| O1 | C13 | C3 | C4 | 56.2° | 120.0° |
| O1 | C13 | C3 | N | 173.6° | 0.0° |
| O1 | C13 | O | C14 | 50.9° | 0.0° |
| O1 | C13 | C3 | H5 | 62.2° | 120.0° |
| O21 | C55 | C56 | C54 | 120.3° | 119.9° |
| O21 | C55 | C56 | H77 | 120.6° | 120.2° |
| O21 | C55 | C56 | O20 | 178.8° | 177.5° |
| O21 | C55 | C54 | H77 | 119.9° | 120.1° |
| O21 | C55 | C54 | O22 | 58.7° | 63.2° |
| O21 | C55 | C54 | C53 | 178.8° | 176.9° |
| O21 | C55 | C54 | H75 | 60.6° | 57.0° |
| O21 | C55 | C56 | H79 | 58.4° | 57.6° |
| C55 | C56 | O20 | H79 | 119.6° | 119.9° |
| C56 | C55 | C54 | H77 | 119.1° | 120.0° |
| C55 | C56 | O20 | C52 | 56.7° | 61.2° |
| C56 | C55 | C54 | O22 | 179.7° | 176.9° |
| C56 | C55 | C54 | C53 | 57.7° | 57.0° |
| C56 | C55 | C54 | H75 | 60.4° | 62.9° |
| C56 | C55 | O21 | H78 | 180.0° | 60.3° |
| C55 | C56 | C57 | H80 | 180.0° | 60.0° |
| C55 | C56 | C57 | H81 | 60.0° | 180.0° |
| C55 | C56 | C57 | H82 | 60.0° | 60.0° |
| O20 | C56 | C55 | C54 | 58.5° | 57.6° |
| C56 | O20 | C52 | C53 | 54.0° | 61.1° |
| C56 | O20 | C52 | O19 | 175.6° | 178.8° |
| C56 | O20 | C52 | H72 | 65.3° | 58.8° |
| O20 | C56 | C55 | H77 | 60.6° | 62.3° |
| O20 | C56 | C57 | H80 | 58.7° | 59.9° |
| O20 | C56 | C57 | H81 | 178.7° | 60.1° |
| O20 | C56 | C57 | H82 | 61.3° | 179.9° |
| C55 | C54 | O22 | C53 | 120.8° | 119.6° |
| C55 | C54 | O22 | H75 | 118.5° | 120.3° |
| C55 | C54 | C53 | H75 | 118.1° | 120.0° |
| C55 | C54 | C53 | C52 | 53.6° | 57.0° |
| C55 | C54 | C53 | H73 | 66.5° | 177.0° |
| C55 | C54 | C53 | H74 | 173.7° | 62.9° |
| C55 | C54 | O22 | H76 | 180.0° | 179.6° |
| C54 | C55 | O21 | H78 | 58.9° | 180.0° |
| C54 | C55 | C56 | H79 | 61.9° | 62.3° |
| C13 | C3 | C4 | C5 | 166.5° | 174.9° |
| C13 | C3 | C4 | N | 124.5° | 120.0° |
| C13 | C3 | C4 | H5 | 118.8° | 120.0° |
| C13 | C3 | N | H5 | 123.9° | 120.0° |
| C3 | C13 | O | C14 | 129.8° | 180.0° |
| C13 | C3 | N | C2 | 117.9° | 85.0° |
| C13 | C3 | N | H4 | 62.1° | 95.0° |
| C13 | C3 | C4 | H6 | 46.3° | 65.0° |
| C13 | C3 | C4 | H7 | 73.3° | 55.0° |
| O | C13 | C3 | C4 | 124.5° | 60.0° |
| O | C13 | C3 | N | 7.1° | 180.0° |
| O | C13 | C3 | H5 | 117.1° | 60.0° |
| C13 | O | C14 | H13 | 180.0° | 59.9° |
| C13 | O | C14 | H14 | 60.0° | 60.0° |
| C13 | O | C14 | H15 | 60.0° | 180.0° |
| N1 | C6 | C5 | H9 | 180.0° | 179.9° |
| C6 | N1 | C7 | H2 | 180.0° | 179.8° |
| N1 | C6 | C5 | C4 | 178.8° | 180.0° |
| N1 | C6 | C5 | C8 | 0.6° | 0.1° |
| C6 | N1 | C7 | C8 | 0.7° | 0.0° |
| C6 | N1 | C7 | C12 | 179.4° | 179.7° |
| C5 | C6 | N1 | C7 | 0.9° | 0.0° |
| C6 | C5 | C4 | C8 | 179.3° | 179.9° |
| C6 | C5 | C4 | C3 | 21.2° | 94.9° |
| C6 | C5 | C8 | C7 | 0.2° | 0.0° |
| C6 | C5 | C8 | C9 | 179.5° | 180.0° |
| C5 | C6 | N1 | H2 | 179.1° | 179.8° |
| C6 | C5 | C4 | H6 | 99.0° | 145.0° |
| C6 | C5 | C4 | H7 | 141.4° | 25.1° |
| N1 | C7 | C8 | C5 | 0.3° | 0.0° |
| N1 | C7 | C8 | C12 | 179.9° | 179.8° |
| N1 | C7 | C8 | C9 | 179.1° | 180.0° |
| N1 | C7 | C12 | C11 | 179.9° | 179.9° |
| C7 | N1 | C6 | H9 | 179.2° | 180.0° |
| N1 | C7 | C12 | H16 | 0.2° | 0.0° |
| C5 | C4 | C3 | H6 | 120.2° | 120.1° |
| C5 | C4 | C3 | H7 | 120.2° | 120.0° |
| C5 | C4 | C3 | N | 69.0° | 65.0° |
| C4 | C5 | C8 | C7 | 179.2° | 179.9° |
| C4 | C5 | C8 | C9 | 0.1° | 0.1° |
| C5 | C4 | C3 | H5 | 47.7° | 54.9° |
| C5 | C4 | H6 | H7 | 119.4° | 120.0° |
| C4 | C5 | C6 | H9 | 1.2° | 0.1° |
| C3 | C4 | C5 | C8 | 158.0° | 85.0° |
| C4 | C3 | N | H5 | 115.9° | 120.0° |
| C4 | C3 | N | C2 | 121.8° | 155.0° |
| C4 | C3 | N | H4 | 58.2° | 25.0° |
| C3 | C4 | H6 | H7 | 119.5° | 120.0° |
| C5 | C8 | C7 | C9 | 179.4° | 180.0° |
| C5 | C8 | C7 | C12 | 179.8° | 179.8° |
| C5 | C8 | C9 | C10 | 180.0° | 179.9° |
| C8 | C5 | C4 | H6 | 81.8° | 35.1° |
| C8 | C5 | C4 | H7 | 37.9° | 155.1° |
| C8 | C5 | C6 | H9 | 179.4° | 180.0° |
| C5 | C8 | C9 | H10 | 0.0° | 0.1° |
| C3 | N | C2 | O2 | 1.0° | 0.0° |
| C3 | N | C2 | H4 | 180.0° | 180.0° |
| C3 | N | C2 | C1 | 178.0° | 180.0° |
| N | C3 | C4 | H6 | 170.8° | 55.1° |
| N | C3 | C4 | H7 | 51.1° | 175.0° |
| O20 | C52 | C53 | C54 | 51.7° | 57.5° |
| O20 | C52 | C53 | O19 | 122.5° | 120.0° |
| O20 | C52 | C53 | H72 | 119.9° | 119.9° |
| O20 | C52 | O19 | H72 | 119.0° | 120.0° |
| O20 | C52 | O19 | C48 | 67.6° | 65.0° |
| O20 | C52 | C53 | H73 | 68.4° | 177.5° |
| O20 | C52 | C53 | H74 | 171.8° | 62.4° |
| C52 | O20 | C56 | H79 | 63.0° | 58.8° |
| C8 | C7 | C12 | C11 | 0.0° | 0.4° |
| C7 | C8 | C9 | C10 | 0.8° | 0.0° |
| C8 | C7 | N1 | H2 | 179.3° | 179.8° |
| C7 | C8 | C9 | H10 | 179.2° | 180.0° |
| C8 | C7 | C12 | H16 | 180.0° | 179.7° |
| C12 | C7 | C8 | C9 | 0.8° | 0.2° |
| C7 | C12 | C11 | H16 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.8° | 0.4° |
| C12 | C7 | N1 | H2 | 0.6° | 0.1° |
| C7 | C12 | C11 | H12 | 179.2° | 179.8° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C8 | C9 | C10 | H11 | 179.9° | 180.0° |
| O | C14 | H13 | H14 | 120.0° | 120.0° |
| O | C14 | H13 | H15 | 120.0° | 120.1° |
| O | C14 | H14 | H15 | 120.0° | 120.0° |
| C12 | C11 | C10 | C9 | 0.8° | 0.2° |
| C12 | C11 | C10 | H12 | 180.0° | 179.8° |
| C12 | C11 | C10 | H11 | 179.2° | 179.9° |
| O2 | C2 | N | C1 | 179.0° | 180.0° |
| O2 | C2 | C1 | C | 70.0° | 115.0° |
| O2 | C2 | C1 | O3 | 165.4° | 5.0° |
| O2 | C2 | C1 | H3 | 46.2° | 124.9° |
| O2 | C2 | N | H4 | 179.0° | 180.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C9 | C10 | C11 | H12 | 179.2° | 180.0° |
| O22 | C54 | C53 | H75 | 121.5° | 120.2° |
| O22 | C54 | C53 | C52 | 174.0° | 176.8° |
| O22 | C54 | C53 | H73 | 53.8° | 63.2° |
| O22 | C54 | C53 | H74 | 65.9° | 56.9° |
| O22 | C54 | C55 | H77 | 61.2° | 56.9° |
| C54 | C53 | C52 | H73 | 120.1° | 120.0° |
| C54 | C53 | C52 | H74 | 120.1° | 120.0° |
| C54 | C53 | C52 | O19 | 174.2° | 177.6° |
| C54 | C53 | C52 | H72 | 68.2° | 62.4° |
| C54 | C53 | H73 | H74 | 119.6° | 120.2° |
| C53 | C54 | O22 | H76 | 59.3° | 60.0° |
| C53 | C54 | C55 | H77 | 61.3° | 63.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | H16 | 179.2° | 179.7° |
| N | C2 | C1 | C | 109.1° | 65.0° |
| N | C2 | C1 | O3 | 15.5° | 175.0° |
| N | C2 | C1 | H3 | 134.7° | 55.0° |
| C2 | N | C3 | H5 | 6.0° | 35.0° |
| O18 | C49 | C48 | O19 | 55.3° | 63.2° |
| O18 | C49 | C48 | C50 | 121.7° | 120.0° |
| O18 | C49 | C48 | H66 | 119.8° | 120.1° |
| O18 | C49 | C48 | C47 | 179.7° | 176.9° |
| O18 | C49 | C50 | H66 | 123.2° | 120.1° |
| O18 | C49 | C50 | C51 | 60.3° | 62.5° |
| O18 | C49 | C50 | O17 | 179.8° | 177.6° |
| O18 | C49 | C48 | H65 | 62.1° | 57.1° |
| O18 | C49 | C50 | H68 | 59.7° | 57.6° |
| C53 | C52 | O19 | H72 | 116.7° | 120.0° |
| C53 | C52 | O19 | C48 | 168.1° | 175.0° |
| C52 | C53 | H73 | H74 | 119.7° | 120.1° |
| C52 | C53 | C54 | H75 | 64.5° | 63.0° |
| C52 | O19 | C48 | C49 | 149.7° | 150.0° |
| C52 | O19 | C48 | C47 | 86.3° | 90.5° |
| C52 | O19 | C48 | H65 | 32.8° | 29.8° |
| O19 | C52 | C53 | H73 | 54.1° | 62.5° |
| O19 | C52 | C53 | H74 | 65.7° | 57.6° |
| C2 | C1 | C | O3 | 123.7° | 119.9° |
| C2 | C1 | C | H3 | 116.4° | 120.0° |
| C2 | C1 | O3 | H3 | 118.7° | 120.0° |
| C2 | C1 | C | C16 | 70.8° | 66.5° |
| C2 | C1 | C | C21 | 157.9° | 173.7° |
| C2 | C1 | O3 | C15 | 79.2° | 102.0° |
| C2 | C1 | C | H1 | 43.8° | 53.7° |
| C1 | C2 | N | H4 | 2.0° | 0.0° |
| O19 | C48 | C49 | C47 | 125.1° | 119.9° |
| O19 | C48 | C49 | H65 | 117.4° | 120.3° |
| O19 | C48 | C47 | H65 | 119.7° | 120.3° |
| O19 | C48 | C49 | C50 | 177.0° | 176.9° |
| O19 | C48 | C47 | C46 | 172.8° | 176.8° |
| O19 | C48 | C47 | H63 | 52.3° | 63.2° |
| O19 | C48 | C47 | H64 | 66.8° | 56.9° |
| O19 | C48 | C49 | H66 | 64.5° | 56.9° |
| C48 | O19 | C52 | H72 | 51.4° | 55.0° |
| C49 | C48 | C47 | H65 | 117.6° | 119.8° |
| C48 | C49 | C50 | H66 | 118.6° | 120.0° |
| C48 | C49 | C50 | C51 | 178.5° | 177.6° |
| C48 | C49 | C50 | O17 | 62.0° | 57.6° |
| C49 | C48 | C47 | C46 | 50.0° | 57.0° |
| C49 | C48 | C47 | H63 | 70.4° | 176.9° |
| C49 | C48 | C47 | H64 | 170.5° | 63.0° |
| C48 | C49 | O18 | H67 | 180.0° | 180.0° |
| C48 | C49 | C50 | H68 | 58.5° | 62.4° |
| C47 | C48 | C49 | C50 | 57.9° | 57.0° |
| C48 | C47 | C46 | H63 | 120.5° | 119.9° |
| C48 | C47 | C46 | H64 | 120.4° | 120.0° |
| C48 | C47 | C46 | O17 | 44.4° | 57.6° |
| C48 | C47 | C46 | O16 | 162.5° | 177.6° |
| C48 | C47 | C46 | H62 | 78.0° | 62.4° |
| C48 | C47 | H63 | H64 | 118.6° | 120.1° |
| C47 | C48 | C49 | H66 | 60.6° | 63.0° |
| C49 | C50 | C51 | O17 | 121.1° | 120.0° |
| C49 | C50 | C51 | H68 | 119.9° | 120.0° |
| C49 | C50 | O17 | H68 | 119.8° | 120.0° |
| C49 | C50 | O17 | C46 | 59.2° | 61.1° |
| C50 | C49 | C48 | H65 | 59.6° | 62.8° |
| C50 | C49 | O18 | H67 | 61.6° | 60.3° |
| C49 | C50 | C51 | H69 | 180.0° | 60.0° |
| C49 | C50 | C51 | H70 | 60.0° | 180.0° |
| C49 | C50 | C51 | H71 | 60.0° | 60.0° |
| C51 | C50 | O17 | H68 | 118.5° | 120.0° |
| C51 | C50 | O17 | C46 | 179.1° | 178.9° |
| C51 | C50 | C49 | H66 | 62.9° | 57.6° |
| C50 | C51 | H69 | H70 | 120.0° | 120.1° |
| C50 | C51 | H69 | H71 | 120.0° | 120.0° |
| C50 | C51 | H70 | H71 | 120.0° | 120.0° |
| C50 | O17 | C46 | C47 | 49.7° | 61.1° |
| C50 | O17 | C46 | O16 | 168.3° | 178.9° |
| C50 | O17 | C46 | H62 | 72.1° | 58.8° |
| O17 | C50 | C49 | H66 | 56.6° | 62.3° |
| O17 | C50 | C51 | H69 | 58.9° | 60.0° |
| O17 | C50 | C51 | H70 | 178.9° | 60.0° |
| O17 | C50 | C51 | H71 | 61.1° | 180.0° |
| C40 | C36 | O11 | C35 | 120.6° | 120.2° |
| C40 | C36 | O11 | C37 | 119.8° | 120.3° |
| C40 | C36 | C35 | C37 | 122.7° | 119.8° |
| C40 | C36 | C35 | C34 | 164.6° | 176.8° |
| C40 | C36 | C37 | O13 | 61.4° | 63.3° |
| C40 | C36 | C37 | C38 | 172.8° | 176.8° |
| C40 | C36 | C35 | H32 | 44.6° | 63.3° |
| C40 | C36 | C35 | H33 | 75.4° | 56.9° |
| C36 | C40 | H34 | H35 | 120.0° | 120.0° |
| C36 | C40 | H34 | H36 | 120.0° | 120.1° |
| C36 | C40 | H35 | H36 | 120.0° | 120.0° |
| C40 | C36 | O11 | H37 | 180.0° | 60.2° |
| C40 | C36 | C37 | H38 | 56.2° | 57.0° |
| C | C1 | O3 | H3 | 119.1° | 120.1° |
| C1 | C | C16 | C21 | 131.1° | 119.9° |
| C1 | C | C16 | H1 | 114.5° | 120.2° |
| C1 | C | C21 | H1 | 114.2° | 120.1° |
| C1 | C | C16 | C17 | 156.2° | 65.2° |
| C | C1 | O3 | C15 | 158.6° | 138.1° |
| C1 | C | C21 | O4 | 60.1° | 175.2° |
| C1 | C | C21 | C20 | 150.3° | 55.7° |
| C1 | C | C16 | H17 | 34.9° | 55.3° |
| C1 | C | C16 | H18 | 82.6° | 174.3° |
| C1 | C | C21 | H22 | 44.3° | 63.8° |
| O3 | C1 | C | C16 | 52.9° | 53.4° |
| O3 | C1 | C | C21 | 78.4° | 66.4° |
| O3 | C1 | C | H1 | 167.5° | 173.6° |
| C1 | O3 | C15 | H19 | 180.0° | 173.3° |
| C1 | O3 | C15 | H20 | 60.0° | 66.7° |
| C1 | O3 | C15 | H21 | 60.0° | 53.3° |
| C16 | C | C21 | H1 | 114.6° | 120.0° |
| C | C16 | C17 | H17 | 121.2° | 120.5° |
| C | C16 | C17 | H18 | 121.2° | 120.5° |
| C | C16 | C17 | C18 | 163.0° | 157.5° |
| C | C16 | C17 | C19 | 20.0° | 22.8° |
| C16 | C | C21 | O4 | 168.7° | 55.2° |
| C16 | C | C21 | C20 | 19.1° | 64.3° |
| C16 | C | C1 | H3 | 172.8° | 173.5° |
| C | C16 | H17 | H18 | 116.1° | 119.2° |
| C16 | C | C21 | H22 | 86.9° | 176.2° |
| C21 | C | C16 | C17 | 25.1° | 54.7° |
| C | C21 | O4 | C20 | 151.1° | 118.0° |
| C | C21 | O4 | H22 | 103.9° | 121.0° |
| C | C21 | O4 | C22 | 139.6° | 150.0° |
| C | C21 | C20 | H22 | 105.8° | 119.5° |
| C | C21 | C20 | C19 | 6.0° | 42.9° |
| C | C21 | C20 | O14 | 162.1° | 137.1° |
| C21 | C | C1 | H3 | 41.5° | 53.7° |
| C21 | C | C16 | H17 | 96.2° | 175.2° |
| C21 | C | C16 | H18 | 146.3° | 65.8° |
| C16 | C17 | C18 | C19 | 177.1° | 179.7° |
| C16 | C17 | C18 | C43 | 178.1° | 179.4° |
| C16 | C17 | C19 | C20 | 5.7° | 0.9° |
| C16 | C17 | C19 | C41 | 178.6° | 179.3° |
| C17 | C16 | C | H1 | 89.4° | 174.6° |
| C16 | C17 | C18 | H8 | 1.9° | 0.7° |
| C17 | C16 | H17 | H18 | 116.1° | 119.1° |
| C47 | C46 | O17 | O16 | 118.6° | 120.0° |
| C47 | C46 | O17 | H62 | 121.8° | 120.0° |
| C47 | C46 | O16 | H62 | 118.6° | 120.0° |
| C47 | C46 | O16 | C45 | 149.2° | 175.0° |
| C46 | C47 | H63 | H64 | 118.6° | 120.1° |
| C46 | C47 | C48 | H65 | 67.6° | 62.9° |
| O17 | C46 | O16 | H62 | 119.4° | 120.1° |
| O17 | C46 | O16 | C45 | 88.8° | 65.0° |
| O17 | C46 | C47 | H63 | 76.1° | 177.5° |
| O17 | C46 | C47 | H64 | 164.8° | 62.4° |
| C46 | O17 | C50 | H68 | 60.7° | 58.9° |
| C46 | O16 | C45 | C44 | 29.6° | 0.0° |
| C46 | O16 | C45 | C58 | 150.5° | 180.0° |
| O16 | C46 | C47 | H63 | 42.0° | 62.5° |
| O16 | C46 | C47 | H64 | 77.1° | 57.6° |
| O11 | C36 | C35 | C37 | 115.3° | 119.9° |
| O11 | C36 | C35 | C34 | 73.5° | 62.9° |
| O11 | C36 | C37 | O13 | 60.6° | 57.0° |
| O11 | C36 | C37 | C38 | 65.1° | 62.9° |
| O11 | C36 | C35 | H32 | 166.6° | 57.0° |
| O11 | C36 | C35 | H33 | 46.5° | 177.2° |
| O11 | C36 | C40 | H34 | 180.0° | 179.8° |
| O11 | C36 | C40 | H35 | 60.0° | 59.8° |
| O11 | C36 | C40 | H36 | 60.0° | 60.2° |
| O11 | C36 | C37 | H38 | 178.2° | 177.3° |
| C17 | C18 | C43 | H8 | 180.0° | 179.9° |
| C17 | C18 | C43 | C44 | 179.1° | 179.9° |
| C17 | C18 | C43 | C42 | 0.2° | 0.0° |
| C18 | C17 | C19 | C20 | 177.4° | 179.4° |
| C18 | C17 | C19 | C41 | 1.8° | 0.4° |
| C18 | C17 | C16 | H17 | 75.8° | 37.0° |
| C18 | C17 | C16 | H18 | 41.8° | 82.0° |
| C43 | C18 | C17 | C19 | 1.0° | 0.3° |
| C18 | C43 | C44 | C42 | 179.3° | 179.9° |
| C18 | C43 | C44 | C45 | 179.6° | 179.9° |
| C18 | C43 | C42 | C41 | 0.2° | 0.2° |
| C18 | C43 | C42 | C60 | 180.0° | 179.9° |
| C18 | C43 | C44 | H57 | 0.4° | 0.1° |
| C15 | O3 | C1 | H3 | 39.5° | 18.0° |
| O3 | C15 | H19 | H20 | 120.0° | 119.9° |
| O3 | C15 | H19 | H21 | 120.0° | 120.1° |
| O3 | C15 | H20 | H21 | 120.0° | 120.0° |
| C36 | C35 | C34 | H32 | 120.0° | 119.9° |
| C36 | C35 | C34 | H33 | 120.0° | 120.0° |
| C35 | C36 | C37 | O13 | 174.9° | 176.9° |
| C35 | C36 | C37 | C38 | 49.2° | 57.0° |
| C36 | C35 | C34 | O10 | 176.1° | 177.6° |
| C36 | C35 | C34 | O12 | 53.2° | 57.6° |
| C36 | C35 | C34 | H31 | 63.8° | 62.3° |
| C36 | C35 | H32 | H33 | 120.1° | 120.2° |
| C35 | C36 | C40 | H34 | 62.9° | 60.0° |
| C35 | C36 | C40 | H35 | 177.1° | 180.0° |
| C35 | C36 | C40 | H36 | 57.1° | 60.0° |
| C35 | C36 | O11 | H37 | 59.3° | 60.0° |
| C35 | C36 | C37 | H38 | 67.4° | 62.9° |
| C37 | C36 | C35 | C34 | 41.8° | 57.0° |
| C36 | C37 | O13 | C38 | 124.0° | 119.7° |
| C36 | C37 | O13 | H38 | 116.8° | 120.2° |
| C36 | C37 | C38 | H38 | 116.8° | 119.9° |
| C36 | C37 | C38 | O12 | 64.0° | 57.6° |
| C36 | C37 | C38 | C39 | 179.1° | 177.6° |
| C37 | C36 | C35 | H32 | 78.1° | 176.9° |
| C37 | C36 | C35 | H33 | 161.8° | 63.0° |
| C37 | C36 | C40 | H34 | 61.8° | 59.5° |
| C37 | C36 | C40 | H35 | 58.1° | 60.5° |
| C37 | C36 | C40 | H36 | 178.2° | 179.6° |
| C37 | C36 | O11 | H37 | 60.3° | 179.5° |
| C36 | C37 | O13 | H39 | 180.0° | 180.0° |
| C36 | C37 | C38 | H40 | 55.4° | 62.4° |
| C17 | C19 | C20 | C21 | 1.4° | 11.8° |
| C17 | C19 | C20 | C41 | 175.5° | 179.9° |
| C17 | C19 | C20 | O14 | 168.6° | 168.1° |
| C17 | C19 | C41 | C42 | 1.7° | 0.2° |
| C17 | C19 | C41 | O15 | 178.2° | 179.8° |
| C19 | C17 | C18 | H8 | 179.0° | 179.6° |
| C19 | C17 | C16 | H17 | 101.2° | 143.3° |
| C19 | C17 | C16 | H18 | 141.3° | 97.7° |
| C35 | C34 | O10 | O12 | 119.6° | 119.9° |
| C35 | C34 | O10 | H31 | 119.2° | 120.0° |
| C35 | C34 | O12 | H31 | 116.2° | 119.9° |
| C35 | C34 | O10 | C30 | 154.2° | 175.1° |
| C35 | C34 | O12 | C38 | 79.5° | 61.2° |
| C34 | C35 | H32 | H33 | 120.1° | 120.1° |
| C43 | C44 | C45 | H57 | 180.0° | 180.0° |
| C43 | C44 | C45 | O16 | 179.8° | 180.0° |
| C43 | C44 | C45 | C58 | 0.1° | 0.0° |
| C44 | C43 | C42 | C41 | 179.2° | 179.9° |
| C44 | C43 | C42 | C60 | 0.7° | 0.0° |
| C44 | C43 | C18 | H8 | 0.9° | 0.1° |
| C45 | C44 | C43 | C42 | 0.3° | 0.0° |
| C44 | C45 | O16 | C58 | 179.9° | 180.0° |
| C44 | C45 | C58 | C60 | 0.3° | 0.0° |
| C44 | C45 | C58 | C59 | 178.4° | 180.0° |
| O4 | C21 | C20 | H22 | 105.3° | 121.0° |
| O4 | C21 | C20 | C19 | 155.0° | 76.6° |
| C21 | O4 | C22 | C23 | 154.5° | 175.1° |
| O4 | C21 | C20 | O14 | 13.2° | 103.4° |
| C21 | O4 | C22 | O5 | 86.4° | 65.0° |
| O4 | C21 | C | H1 | 54.1° | 64.7° |
| C21 | O4 | C22 | H23 | 37.1° | 55.0° |
| C22 | O4 | C21 | C20 | 69.3° | 92.0° |
| O4 | C22 | C23 | O5 | 116.6° | 120.0° |
| O4 | C22 | C23 | H23 | 118.7° | 120.1° |
| O4 | C22 | C23 | C24 | 167.4° | 177.6° |
| O4 | C22 | O5 | H23 | 123.7° | 120.1° |
| O4 | C22 | O5 | C26 | 176.4° | 178.9° |
| C22 | O4 | C21 | H22 | 35.7° | 29.0° |
| O4 | C22 | C23 | H24 | 72.3° | 62.5° |
| O4 | C22 | C23 | H25 | 47.1° | 57.7° |
| C21 | C20 | C19 | O14 | 167.2° | 180.0° |
| C21 | C20 | C19 | C41 | 174.2° | 168.3° |
| C20 | C21 | C | H1 | 95.5° | 175.8° |
| C43 | C42 | C41 | C19 | 1.0° | 0.1° |
| C43 | C42 | C41 | C60 | 179.8° | 179.9° |
| C43 | C42 | C41 | O15 | 178.9° | 179.9° |
| C43 | C42 | C60 | C58 | 0.9° | 0.0° |
| C43 | C42 | C60 | O23 | 179.2° | 179.9° |
| C42 | C43 | C18 | H8 | 179.8° | 179.9° |
| C42 | C43 | C44 | H57 | 179.7° | 180.0° |
| O16 | C45 | C58 | C60 | 179.6° | 179.9° |
| O16 | C45 | C58 | C59 | 1.5° | 0.1° |
| O16 | C45 | C44 | H57 | 0.2° | 0.0° |
| C45 | O16 | C46 | H62 | 30.6° | 55.0° |
| C45 | C58 | C60 | C42 | 0.7° | 0.0° |
| C45 | C58 | C60 | C59 | 178.2° | 180.0° |
| C45 | C58 | C60 | O23 | 179.3° | 179.9° |
| C58 | C45 | C44 | H57 | 179.9° | 180.0° |
| C45 | C58 | C59 | H58 | 91.0° | 90.0° |
| C45 | C58 | C59 | H59 | 149.0° | 150.0° |
| C45 | C58 | C59 | H60 | 29.0° | 30.0° |
| O13 | C37 | C38 | H38 | 120.1° | 120.2° |
| O13 | C37 | C38 | O12 | 172.8° | 177.5° |
| O13 | C37 | C38 | C39 | 57.8° | 62.5° |
| O13 | C37 | C38 | H40 | 67.7° | 57.5° |
| C20 | C19 | C41 | C42 | 177.3° | 179.6° |
| C20 | C19 | C41 | O15 | 2.6° | 0.4° |
| C19 | C20 | C21 | H22 | 99.8° | 162.4° |
| C41 | C19 | C20 | O14 | 6.9° | 11.7° |
| C19 | C41 | C42 | O15 | 179.9° | 180.0° |
| C19 | C41 | C42 | C60 | 179.2° | 179.9° |
| C19 | C41 | O15 | H56 | 5.0° | 90.0° |
| C22 | C23 | C24 | H24 | 120.3° | 119.9° |
| C22 | C23 | C24 | H25 | 120.3° | 119.9° |
| C23 | C22 | O5 | H23 | 124.0° | 120.0° |
| C23 | C22 | O5 | C26 | 64.1° | 61.2° |
| C22 | C23 | C24 | O7 | 165.3° | 176.9° |
| C22 | C23 | C24 | C25 | 43.1° | 57.0° |
| C22 | C23 | H24 | H25 | 119.1° | 120.1° |
| C22 | C23 | C24 | H26 | 77.4° | 62.9° |
| C24 | C23 | C22 | O5 | 50.8° | 57.6° |
| C23 | C24 | O7 | C25 | 122.4° | 119.6° |
| C23 | C24 | O7 | H26 | 116.5° | 120.2° |
| C23 | C24 | O7 | C28 | 134.0° | 90.0° |
| C23 | C24 | C25 | H26 | 120.6° | 119.8° |
| C23 | C24 | C25 | C26 | 48.2° | 56.9° |
| C23 | C24 | C25 | O6 | 166.9° | 176.9° |
| C24 | C23 | C22 | H23 | 73.9° | 62.3° |
| C24 | C23 | H24 | H25 | 119.1° | 120.2° |
| C23 | C24 | C25 | H50 | 71.7° | 62.9° |
| C37 | C38 | O12 | C34 | 81.3° | 61.2° |
| C37 | C38 | O12 | C39 | 115.9° | 120.0° |
| C37 | C38 | O12 | H40 | 117.8° | 120.0° |
| C37 | C38 | C39 | H40 | 125.3° | 120.0° |
| C38 | C37 | O13 | H39 | 56.0° | 60.3° |
| C37 | C38 | C39 | H41 | 180.0° | 60.0° |
| C37 | C38 | C39 | H42 | 60.0° | 180.0° |
| C37 | C38 | C39 | H43 | 60.0° | 60.0° |
| O14 | C20 | C21 | H22 | 92.1° | 17.6° |
| C22 | O5 | C26 | C25 | 68.3° | 61.2° |
| C22 | O5 | C26 | C27 | 167.3° | 178.8° |
| O5 | C22 | C23 | H24 | 171.1° | 177.5° |
| O5 | C22 | C23 | H25 | 69.5° | 62.3° |
| C22 | O5 | C26 | H52 | 49.4° | 58.8° |
| C41 | C42 | C60 | C58 | 178.9° | 179.9° |
| C41 | C42 | C60 | O23 | 1.0° | 0.2° |
| C42 | C41 | O15 | H56 | 174.9° | 90.0° |
| C60 | C42 | C41 | O15 | 0.9° | 0.1° |
| C42 | C60 | C58 | O23 | 179.9° | 179.9° |
| C42 | C60 | C58 | C59 | 178.9° | 179.9° |
| C42 | C60 | O23 | H61 | 180.0° | 90.0° |
| O10 | C34 | O12 | H31 | 121.4° | 120.1° |
| C34 | O10 | C30 | C29 | 91.3° | 90.0° |
| O10 | C34 | O12 | C38 | 158.1° | 178.8° |
| C34 | O10 | C30 | C31 | 149.1° | 150.4° |
| C34 | O10 | C30 | H30 | 26.8° | 30.2° |
| O10 | C34 | C35 | H32 | 56.2° | 62.5° |
| O10 | C34 | C35 | H33 | 63.9° | 57.6° |
| O12 | C34 | O10 | C30 | 86.2° | 65.0° |
| C34 | O12 | C38 | C39 | 162.9° | 178.9° |
| O12 | C34 | C35 | H32 | 66.8° | 177.5° |
| O12 | C34 | C35 | H33 | 173.1° | 62.4° |
| C34 | O12 | C38 | H40 | 36.5° | 58.8° |
| O5 | C26 | C25 | C24 | 60.1° | 57.6° |
| O5 | C26 | C25 | C27 | 121.4° | 120.0° |
| O5 | C26 | C25 | H52 | 118.3° | 120.0° |
| O5 | C26 | C25 | O6 | 179.6° | 177.5° |
| O5 | C26 | C27 | H52 | 118.5° | 120.1° |
| C26 | O5 | C22 | H23 | 59.9° | 58.8° |
| O5 | C26 | C25 | H50 | 59.8° | 62.3° |
| O5 | C26 | C27 | H53 | 180.0° | 59.9° |
| O5 | C26 | C27 | H54 | 60.0° | 60.0° |
| O5 | C26 | C27 | H55 | 60.0° | 179.9° |
| C24 | O7 | C28 | C29 | 162.3° | 175.0° |
| O7 | C24 | C25 | H26 | 121.8° | 120.2° |
| O7 | C24 | C25 | C26 | 165.8° | 176.8° |
| O7 | C24 | C25 | O6 | 75.6° | 63.2° |
| C24 | O7 | C28 | O8 | 77.8° | 65.0° |
| O7 | C24 | C23 | H24 | 74.5° | 63.3° |
| O7 | C24 | C23 | H25 | 45.0° | 57.0° |
| C24 | O7 | C28 | H27 | 41.2° | 55.0° |
| O7 | C24 | C25 | H50 | 45.8° | 57.0° |
| O7 | C28 | C29 | O8 | 114.0° | 120.0° |
| O7 | C28 | C29 | H27 | 122.0° | 120.0° |
| O7 | C28 | C29 | C30 | 169.8° | 177.6° |
| C28 | O7 | C24 | C25 | 103.7° | 150.4° |
| O7 | C28 | O8 | H27 | 119.1° | 120.0° |
| O7 | C28 | O8 | C32 | 176.0° | 178.9° |
| C28 | O7 | C24 | H26 | 17.5° | 30.2° |
| O7 | C28 | C29 | H28 | 70.1° | 62.5° |
| O7 | C28 | C29 | H29 | 49.8° | 57.7° |
| C28 | C29 | C30 | H28 | 120.0° | 120.0° |
| C28 | C29 | C30 | H29 | 120.0° | 119.9° |
| C28 | C29 | C30 | O10 | 166.5° | 176.8° |
| C29 | C28 | O8 | H27 | 123.1° | 120.0° |
| C28 | C29 | C30 | C31 | 42.6° | 56.9° |
| C29 | C28 | O8 | C32 | 66.1° | 61.1° |
| C28 | C29 | H28 | H29 | 119.9° | 120.2° |
| C28 | C29 | C30 | H30 | 74.6° | 62.9° |
| C29 | C30 | O10 | C31 | 119.6° | 119.6° |
| C29 | C30 | O10 | H30 | 118.2° | 120.2° |
| C30 | C29 | C28 | O8 | 55.8° | 57.6° |
| C29 | C30 | C31 | O9 | 87.5° | 62.9° |
| C29 | C30 | C31 | H30 | 117.2° | 119.9° |
| C29 | C30 | C31 | C32 | 44.9° | 56.9° |
| C30 | C29 | C28 | H27 | 68.1° | 62.4° |
| C30 | C29 | H28 | H29 | 119.9° | 120.1° |
| C29 | C30 | C31 | H45 | 166.7° | 177.0° |
| O10 | C30 | C31 | O9 | 32.5° | 56.9° |
| O10 | C30 | C31 | H30 | 122.8° | 120.3° |
| O10 | C30 | C31 | C32 | 164.9° | 176.8° |
| O10 | C30 | C29 | H28 | 73.4° | 63.2° |
| O10 | C30 | C29 | H29 | 46.5° | 56.9° |
| C30 | O10 | C34 | H31 | 35.0° | 55.0° |
| O10 | C30 | C31 | H45 | 73.3° | 63.1° |
| C60 | C58 | C59 | H58 | 90.9° | 90.0° |
| C60 | C58 | C59 | H59 | 29.1° | 30.0° |
| C60 | C58 | C59 | H60 | 149.1° | 150.1° |
| C58 | C60 | O23 | H61 | 0.1° | 90.1° |
| C59 | C58 | C60 | O23 | 1.2° | 0.1° |
| C58 | C59 | H58 | H59 | 120.0° | 120.0° |
| C58 | C59 | H58 | H60 | 120.0° | 119.9° |
| C58 | C59 | H59 | H60 | 120.0° | 120.0° |
| C24 | C25 | C26 | O6 | 119.5° | 119.9° |
| C24 | C25 | C26 | H50 | 119.9° | 119.9° |
| C24 | C25 | O6 | H50 | 120.6° | 120.1° |
| C24 | C25 | C26 | C27 | 178.5° | 177.6° |
| C25 | C24 | C23 | H24 | 163.4° | 176.8° |
| C25 | C24 | C23 | H25 | 77.2° | 62.9° |
| C24 | C25 | O6 | H51 | 180.0° | 180.0° |
| C24 | C25 | C26 | H52 | 58.2° | 62.4° |
| C26 | C25 | O6 | H50 | 119.7° | 120.1° |
| C25 | C26 | C27 | H52 | 120.2° | 119.9° |
| C26 | C25 | C24 | H26 | 72.4° | 62.9° |
| C26 | C25 | O6 | H51 | 60.3° | 60.3° |
| C25 | C26 | C27 | H53 | 58.7° | 60.1° |
| C25 | C26 | C27 | H54 | 61.3° | 180.0° |
| C25 | C26 | C27 | H55 | 178.7° | 59.9° |
| O6 | C25 | C26 | C27 | 59.0° | 62.5° |
| O6 | C25 | C24 | H26 | 46.3° | 57.1° |
| O6 | C25 | C26 | H52 | 61.2° | 57.5° |
| O12 | C38 | C39 | H40 | 127.4° | 120.1° |
| C38 | O12 | C34 | H31 | 36.7° | 58.8° |
| O12 | C38 | C37 | H38 | 52.8° | 62.3° |
| O12 | C38 | C39 | H41 | 72.7° | 59.9° |
| O12 | C38 | C39 | H42 | 167.3° | 60.1° |
| O12 | C38 | C39 | H43 | 47.3° | 179.9° |
| C39 | C38 | C37 | H38 | 62.3° | 57.7° |
| C38 | C39 | H41 | H42 | 120.0° | 120.0° |
| C38 | C39 | H41 | H43 | 120.0° | 120.0° |
| C38 | C39 | H42 | H43 | 120.0° | 120.0° |
| C28 | O8 | C32 | C31 | 57.0° | 61.1° |
| C28 | O8 | C32 | C33 | 176.4° | 178.8° |
| O8 | C28 | C29 | H28 | 175.9° | 177.5° |
| O8 | C28 | C29 | H29 | 64.2° | 62.3° |
| C28 | O8 | C32 | H46 | 60.9° | 58.9° |
| O9 | C31 | C30 | C32 | 132.4° | 119.9° |
| O9 | C31 | C30 | H45 | 105.7° | 120.1° |
| O9 | C31 | C32 | O8 | 58.5° | 62.3° |
| O9 | C31 | C32 | H45 | 130.4° | 120.2° |
| O9 | C31 | C32 | C33 | 62.9° | 57.7° |
| O9 | C31 | C30 | H30 | 155.3° | 177.2° |
| O9 | C31 | C32 | H46 | 177.2° | 177.7° |
| C30 | C31 | C32 | O8 | 49.4° | 57.6° |
| C30 | C31 | C32 | H45 | 121.7° | 120.0° |
| C30 | C31 | C32 | C33 | 170.9° | 177.6° |
| C31 | C30 | C29 | H28 | 162.7° | 176.9° |
| C31 | C30 | C29 | H29 | 77.4° | 62.9° |
| C30 | C31 | O9 | H44 | 180.0° | 180.0° |
| C30 | C31 | C32 | H46 | 69.2° | 62.4° |
| C27 | C26 | C25 | H50 | 61.6° | 57.7° |
| C26 | C27 | H53 | H54 | 120.0° | 120.0° |
| C26 | C27 | H53 | H55 | 120.0° | 120.0° |
| C26 | C27 | H54 | H55 | 120.0° | 120.1° |
| O8 | C32 | C31 | C33 | 121.5° | 120.0° |
| O8 | C32 | C31 | H46 | 118.6° | 120.0° |
| O8 | C32 | C33 | H46 | 123.6° | 120.0° |
| C32 | O8 | C28 | H27 | 57.0° | 58.8° |
| O8 | C32 | C31 | H45 | 171.1° | 177.5° |
| O8 | C32 | C33 | H47 | 180.0° | 60.0° |
| O8 | C32 | C33 | H48 | 60.0° | 60.0° |
| O8 | C32 | C33 | H49 | 60.0° | 180.0° |
| C31 | C32 | C33 | H46 | 120.2° | 120.0° |
| C32 | C31 | C30 | H30 | 72.4° | 62.9° |
| C32 | C31 | O9 | H44 | 53.7° | 60.4° |
| C31 | C32 | C33 | H47 | 63.8° | 60.0° |
| C31 | C32 | C33 | H48 | 56.2° | 180.0° |
| C31 | C32 | C33 | H49 | 176.2° | 60.0° |
| C33 | C32 | C31 | H45 | 67.4° | 62.4° |
| C32 | C33 | H47 | H48 | 120.0° | 120.0° |
| C32 | C33 | H47 | H49 | 120.0° | 120.0° |
| C32 | C33 | H48 | H49 | 120.0° | 120.0° |
| H1 | C | C1 | H3 | 72.6° | 66.3° |
| H1 | C | C16 | H17 | 149.4° | 64.9° |
| H1 | C | C16 | H18 | 31.9° | 54.1° |
| H1 | C | C21 | H22 | 158.5° | 56.3° |
| H2 | N1 | C6 | H9 | 0.9° | 0.2° |
| H4 | N | C3 | H5 | 174.0° | 145.0° |
| H5 | C3 | C4 | H6 | 72.5° | 175.0° |
| H5 | C3 | C4 | H7 | 167.8° | 65.0° |
| H10 | C9 | C10 | H11 | 0.0° | 0.1° |
| H11 | C10 | C11 | H12 | 0.7° | 0.0° |
| H12 | C11 | C12 | H16 | 0.8° | 0.2° |
| H13 | C14 | H14 | H15 | 120.0° | 120.0° |
| H19 | C15 | H20 | H21 | 120.0° | 120.0° |
| H23 | C22 | C23 | H24 | 46.4° | 57.6° |
| H23 | C22 | C23 | H25 | 165.8° | 177.8° |
| H24 | C23 | C24 | H26 | 42.8° | 57.0° |
| H25 | C23 | C24 | H26 | 162.3° | 177.3° |
| H26 | C24 | C25 | H50 | 167.7° | 177.2° |
| H27 | C28 | C29 | H28 | 51.9° | 57.5° |
| H27 | C28 | C29 | H29 | 171.8° | 177.7° |
| H28 | C29 | C30 | H30 | 45.4° | 57.1° |
| H29 | C29 | C30 | H30 | 165.4° | 177.2° |
| H30 | C30 | C31 | H45 | 49.5° | 57.1° |
| H31 | C34 | C35 | H32 | 176.2° | 57.6° |
| H31 | C34 | C35 | H33 | 56.2° | 177.6° |
| H34 | C40 | H35 | H36 | 120.0° | 120.0° |
| H38 | C37 | O13 | H39 | 63.2° | 59.8° |
| H38 | C37 | C38 | H40 | 172.2° | 177.7° |
| H40 | C38 | C39 | H41 | 54.7° | 180.0° |
| H40 | C38 | C39 | H42 | 65.4° | 60.0° |
| H40 | C38 | C39 | H43 | 174.6° | 60.0° |
| H41 | C39 | H42 | H43 | 120.0° | 120.0° |
| H44 | O9 | C31 | H45 | 76.2° | 59.9° |
| H45 | C31 | C32 | H46 | 52.5° | 57.6° |
| H46 | C32 | C33 | H47 | 56.4° | 179.9° |
| H46 | C32 | C33 | H48 | 176.4° | 60.0° |
| H46 | C32 | C33 | H49 | 63.6° | 60.0° |
| H47 | C33 | H48 | H49 | 120.0° | 120.0° |
| H50 | C25 | O6 | H51 | 59.4° | 59.9° |
| H50 | C25 | C26 | H52 | 178.2° | 177.7° |
| H52 | C26 | C27 | H53 | 61.5° | 180.0° |
| H52 | C26 | C27 | H54 | 178.5° | 60.0° |
| H52 | C26 | C27 | H55 | 58.6° | 60.0° |
| H53 | C27 | H54 | H55 | 120.0° | 119.9° |
| H58 | C59 | H59 | H60 | 120.0° | 120.0° |
| H62 | C46 | C47 | H63 | 161.5° | 57.5° |
| H62 | C46 | C47 | H64 | 42.4° | 177.6° |
| H63 | C47 | C48 | H65 | 172.0° | 57.1° |
| H64 | C47 | C48 | H65 | 52.9° | 177.1° |
| H65 | C48 | C49 | H66 | 178.1° | 177.2° |
| H66 | C49 | O18 | H67 | 60.9° | 59.9° |
| H66 | C49 | C50 | H68 | 177.1° | 177.7° |
| H68 | C50 | C51 | H69 | 60.1° | 180.0° |
| H68 | C50 | C51 | H70 | 59.9° | 59.9° |
| H68 | C50 | C51 | H71 | 179.9° | 60.0° |
| H69 | C51 | H70 | H71 | 120.0° | 120.0° |
| H72 | C52 | C53 | H73 | 171.7° | 57.6° |
| H72 | C52 | C53 | H74 | 51.9° | 177.7° |
| H73 | C53 | C54 | H75 | 175.4° | 57.0° |
| H74 | C53 | C54 | H75 | 55.6° | 177.1° |
| H75 | C54 | O22 | H76 | 61.5° | 60.2° |
| H75 | C54 | C55 | H77 | 179.5° | 177.1° |
| H77 | C55 | O21 | H78 | 60.2° | 59.9° |
| H77 | C55 | C56 | H79 | 179.0° | 177.8° |
| H79 | C56 | C57 | H80 | 61.5° | 179.9° |
| H79 | C56 | C57 | H81 | 58.5° | 60.0° |
| H79 | C56 | C57 | H82 | 178.5° | 60.1° |
| H80 | C57 | H81 | H82 | 120.0° | 120.0° |
