6O7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C36 | sing | 1.53Å | 1.51Å | |
| C36 | O11 | sing | 1.43Å | 1.42Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| O13 | C37 | sing | 1.43Å | 1.43Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C57 | C56 | sing | 1.53Å | 1.53Å | |
| O21 | C55 | sing | 1.43Å | 1.43Å | |
| C34 | O10 | sing | 1.43Å | 1.42Å | |
| C34 | O12 | sing | 1.43Å | 1.42Å | |
| C38 | O12 | sing | 1.43Å | 1.42Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| O10 | C30 | sing | 1.43Å | 1.42Å | |
| C56 | C55 | sing | 1.53Å | 1.52Å | |
| C56 | O20 | sing | 1.43Å | 1.44Å | |
| O9 | C31 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C55 | C54 | sing | 1.53Å | 1.52Å | |
| C10 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| O1 | C13 | doub | 1.21Å | 1.21Å | |
| O20 | C52 | sing | 1.43Å | 1.44Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C3 | C13 | sing | 1.51Å | 1.49Å | |
| C3 | N | sing | 1.47Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C13 | O | sing | 1.34Å | 1.45Å | |
| C54 | O22 | sing | 1.43Å | 1.43Å | |
| C54 | C53 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | N | sing | 1.35Å | 1.34Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O7 | C28 | sing | 1.43Å | 1.43Å | |
| O7 | C24 | sing | 1.43Å | 1.43Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | O19 | sing | 1.43Å | 1.44Å | |
| O8 | C28 | sing | 1.43Å | 1.42Å | |
| O8 | C32 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| O18 | C49 | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C1 | O3 | sing | 1.43Å | 1.43Å | |
| O | C14 | sing | 1.45Å | 1.43Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | O6 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| O4 | C22 | sing | 1.43Å | 1.42Å | |
| O4 | C21 | sing | 1.43Å | 1.41Å | |
| O19 | C48 | sing | 1.43Å | 1.44Å | |
| C | C16 | sing | 1.53Å | 1.53Å | |
| C | C21 | sing | 1.53Å | 1.53Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | C47 | sing | 1.53Å | 1.54Å | |
| O5 | C22 | sing | 1.43Å | 1.42Å | |
| O5 | C26 | sing | 1.43Å | 1.42Å | |
| C49 | C50 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| O3 | C15 | sing | 1.43Å | 1.43Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C50 | O17 | sing | 1.43Å | 1.43Å | |
| C47 | C46 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C19 | sing | 1.41Å | 1.39Å | Aromatic |
| C18 | C43 | sing | 1.41Å | 1.39Å | Aromatic |
| C46 | O17 | sing | 1.43Å | 1.43Å | |
| C46 | O16 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.47Å | 1.49Å | |
| C20 | O14 | doub | 1.21Å | 1.21Å | |
| C19 | C41 | doub | 1.40Å | 1.39Å | Aromatic |
| C43 | C44 | doub | 1.40Å | 1.39Å | Aromatic |
| C43 | C42 | sing | 1.42Å | 1.39Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.41Å | 1.38Å | Aromatic |
| C41 | O15 | sing | 1.35Å | 1.34Å | |
| C42 | C60 | doub | 1.41Å | 1.40Å | Aromatic |
| C45 | O16 | sing | 1.36Å | 1.38Å | |
| C45 | C58 | doub | 1.40Å | 1.41Å | Aromatic |
| C60 | C58 | sing | 1.38Å | 1.40Å | Aromatic |
| C60 | O23 | sing | 1.36Å | 1.37Å | |
| C58 | C59 | sing | 1.51Å | 1.52Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| O15 | H3 | sing | 0.97Å | 0.95Å | |
| O23 | H4 | sing | 0.97Å | 0.95Å | |
| C59 | H5 | sing | 1.09Å | 1.10Å | |
| C59 | H6 | sing | 1.09Å | 1.10Å | |
| C59 | H7 | sing | 1.09Å | 1.10Å | |
| C46 | H8 | sing | 1.09Å | 1.10Å | |
| C50 | H9 | sing | 1.09Å | 1.10Å | |
| C51 | H10 | sing | 1.09Å | 1.10Å | |
| C51 | H11 | sing | 1.09Å | 1.10Å | |
| C51 | H12 | sing | 1.09Å | 1.10Å | |
| C49 | H13 | sing | 1.09Å | 1.10Å | |
| O18 | H14 | sing | 0.97Å | 0.95Å | |
| C48 | H15 | sing | 1.09Å | 1.10Å | |
| C52 | H16 | sing | 1.09Å | 1.10Å | |
| C56 | H17 | sing | 1.09Å | 1.10Å | |
| C57 | H18 | sing | 1.09Å | 1.10Å | |
| C57 | H19 | sing | 1.09Å | 1.10Å | |
| C57 | H20 | sing | 1.09Å | 1.10Å | |
| C55 | H21 | sing | 1.09Å | 1.10Å | |
| O21 | H22 | sing | 0.97Å | 0.95Å | |
| C54 | H23 | sing | 1.09Å | 1.10Å | |
| O22 | H24 | sing | 0.97Å | 0.95Å | |
| C53 | H25 | sing | 1.09Å | 1.10Å | |
| C53 | H26 | sing | 1.09Å | 1.10Å | |
| C47 | H27 | sing | 1.09Å | 1.10Å | |
| C47 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C14 | H39 | sing | 1.09Å | 1.10Å | |
| C14 | H40 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C10 | H44 | sing | 1.08Å | 1.08Å | |
| C9 | H45 | sing | 1.08Å | 1.08Å | |
| C8 | H46 | sing | 1.08Å | 1.08Å | |
| C7 | H47 | sing | 1.08Å | 1.08Å | |
| C6 | H48 | sing | 1.08Å | 1.08Å | |
| C22 | H49 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C25 | H54 | sing | 1.09Å | 1.10Å | |
| O6 | H55 | sing | 0.97Å | 0.95Å | |
| C24 | H56 | sing | 1.09Å | 1.10Å | |
| C23 | H57 | sing | 1.09Å | 1.10Å | |
| C23 | H58 | sing | 1.09Å | 1.10Å | |
| C28 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C31 | H64 | sing | 1.09Å | 1.10Å | |
| O9 | H65 | sing | 0.97Å | 0.95Å | |
| C30 | H66 | sing | 1.09Å | 1.10Å | |
| C29 | H67 | sing | 1.09Å | 1.10Å | |
| C29 | H68 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å | |
| C39 | H71 | sing | 1.09Å | 1.10Å | |
| C39 | H72 | sing | 1.09Å | 1.10Å | |
| C39 | H73 | sing | 1.09Å | 1.10Å | |
| C37 | H74 | sing | 1.09Å | 1.10Å | |
| O13 | H75 | sing | 0.97Å | 0.95Å | |
| C40 | H76 | sing | 1.09Å | 1.10Å | |
| C40 | H77 | sing | 1.09Å | 1.10Å | |
| C40 | H78 | sing | 1.09Å | 1.10Å | |
| O11 | H79 | sing | 0.97Å | 0.95Å | |
| C35 | H80 | sing | 1.09Å | 1.10Å | |
| C35 | H81 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C36 | O11 | 109.1° | 109.5° |
| C40 | C36 | C35 | 108.3° | 109.6° |
| C40 | C36 | C37 | 111.2° | 109.6° |
| C36 | C40 | H76 | 109.5° | 109.5° |
| C36 | C40 | H77 | 109.4° | 109.4° |
| C36 | C40 | H78 | 109.5° | 109.5° |
| O11 | C36 | C35 | 107.7° | 109.6° |
| O11 | C36 | C37 | 110.5° | 109.6° |
| C36 | O11 | H79 | 109.5° | 114.0° |
| C35 | C36 | C37 | 110.0° | 109.0° |
| C36 | C35 | C34 | 111.0° | 109.2° |
| C36 | C35 | H80 | 109.1° | 109.5° |
| C36 | C35 | H81 | 109.1° | 109.5° |
| C36 | C37 | O13 | 110.4° | 109.6° |
| C36 | C37 | C38 | 109.4° | 109.2° |
| C36 | C37 | H74 | 108.6° | 109.5° |
| O13 | C37 | C38 | 110.0° | 109.5° |
| O13 | C37 | H74 | 109.8° | 109.5° |
| C37 | O13 | H75 | 109.5° | 114.0° |
| C35 | C34 | O10 | 104.4° | 109.4° |
| C35 | C34 | O12 | 111.1° | 109.4° |
| C35 | C34 | H69 | 109.6° | 109.5° |
| C34 | C35 | H80 | 109.1° | 109.5° |
| C34 | C35 | H81 | 109.1° | 109.5° |
| C37 | C38 | O12 | 109.2° | 109.4° |
| C37 | C38 | C39 | 111.3° | 109.5° |
| C37 | C38 | H70 | 109.0° | 109.6° |
| C38 | C37 | H74 | 108.6° | 109.6° |
| C57 | C56 | C55 | 109.3° | 109.4° |
| C57 | C56 | O20 | 111.3° | 109.5° |
| C57 | C56 | H17 | 108.1° | 109.5° |
| C56 | C57 | H18 | 109.5° | 109.5° |
| C56 | C57 | H19 | 109.5° | 109.5° |
| C56 | C57 | H20 | 109.4° | 109.5° |
| O21 | C55 | C56 | 110.6° | 109.5° |
| O21 | C55 | C54 | 109.7° | 109.5° |
| O21 | C55 | H21 | 109.7° | 109.6° |
| C55 | O21 | H22 | 109.5° | 113.9° |
| O10 | C34 | O12 | 109.5° | 109.5° |
| C34 | O10 | C30 | 116.9° | 114.0° |
| O10 | C34 | H69 | 111.1° | 109.5° |
| C34 | O12 | C38 | 114.2° | 114.1° |
| O12 | C34 | H69 | 110.9° | 109.5° |
| O12 | C38 | C39 | 108.0° | 109.4° |
| O12 | C38 | H70 | 110.3° | 109.5° |
| C39 | C38 | H70 | 109.1° | 109.5° |
| C38 | C39 | H71 | 109.5° | 109.5° |
| C38 | C39 | H72 | 109.5° | 109.4° |
| C38 | C39 | H73 | 109.5° | 109.5° |
| O10 | C30 | C29 | 109.8° | 109.5° |
| O10 | C30 | C31 | 105.8° | 109.6° |
| O10 | C30 | H66 | 110.4° | 109.6° |
| C55 | C56 | O20 | 110.7° | 109.4° |
| C56 | C55 | C54 | 109.8° | 109.2° |
| C55 | C56 | H17 | 108.2° | 109.5° |
| C56 | C55 | H21 | 108.5° | 109.5° |
| C56 | O20 | C52 | 113.8° | 114.1° |
| O20 | C56 | H17 | 109.2° | 109.5° |
| O9 | C31 | C30 | 109.0° | 109.6° |
| O9 | C31 | C32 | 110.1° | 109.5° |
| O9 | C31 | H64 | 109.5° | 109.5° |
| C31 | O9 | H65 | 109.5° | 114.0° |
| C10 | C9 | C8 | 120.2° | 120.0° |
| C9 | C10 | C5 | 119.5° | 120.0° |
| C9 | C10 | H44 | 120.3° | 120.0° |
| C10 | C9 | H45 | 119.9° | 120.0° |
| C9 | C8 | C7 | 120.4° | 120.0° |
| C8 | C9 | H45 | 119.9° | 120.0° |
| C9 | C8 | H46 | 119.8° | 120.0° |
| C55 | C54 | O22 | 109.1° | 109.5° |
| C55 | C54 | C53 | 111.1° | 109.0° |
| C54 | C55 | H21 | 108.5° | 109.5° |
| C55 | C54 | H23 | 108.3° | 109.5° |
| C10 | C5 | C4 | 125.7° | 120.0° |
| C10 | C5 | C6 | 120.0° | 120.0° |
| C5 | C10 | H44 | 120.3° | 120.0° |
| O1 | C13 | C3 | 120.9° | 120.0° |
| O1 | C13 | O | 119.3° | 120.0° |
| O20 | C52 | C53 | 108.2° | 109.5° |
| O20 | C52 | O19 | 112.2° | 109.5° |
| O20 | C52 | H16 | 108.9° | 109.5° |
| C29 | C30 | C31 | 112.8° | 109.1° |
| C30 | C29 | C28 | 115.4° | 109.1° |
| C29 | C30 | H66 | 109.0° | 109.5° |
| C30 | C29 | H67 | 108.0° | 109.5° |
| C30 | C29 | H68 | 108.0° | 109.5° |
| C30 | C31 | C32 | 111.3° | 109.2° |
| C30 | C31 | H64 | 108.4° | 109.6° |
| C31 | C30 | H66 | 109.0° | 109.6° |
| C8 | C7 | C6 | 119.5° | 120.0° |
| C7 | C8 | H46 | 119.8° | 120.0° |
| C8 | C7 | H47 | 120.3° | 120.0° |
| O2 | C2 | N | 123.0° | 120.0° |
| O2 | C2 | C1 | 122.5° | 120.0° |
| C29 | C28 | O7 | 108.0° | 109.5° |
| C29 | C28 | O8 | 110.5° | 109.5° |
| C29 | C28 | H59 | 108.6° | 109.5° |
| C28 | C29 | H67 | 108.0° | 109.6° |
| C28 | C29 | H68 | 108.0° | 109.5° |
| C31 | C32 | O8 | 107.3° | 109.4° |
| C31 | C32 | C33 | 113.1° | 109.5° |
| C31 | C32 | H60 | 109.0° | 109.5° |
| C32 | C31 | H64 | 108.5° | 109.5° |
| C13 | C3 | N | 110.7° | 109.5° |
| C13 | C3 | C4 | 105.8° | 109.4° |
| C3 | C13 | O | 119.8° | 120.0° |
| C13 | C3 | H38 | 110.5° | 109.5° |
| N | C3 | C4 | 108.4° | 109.4° |
| C3 | N | C2 | 124.8° | 120.0° |
| C3 | N | H2 | 117.6° | 120.0° |
| N | C3 | H38 | 111.2° | 109.5° |
| C3 | C4 | C5 | 118.2° | 109.4° |
| C4 | C3 | H38 | 110.0° | 109.5° |
| C3 | C4 | H42 | 107.3° | 109.5° |
| C3 | C4 | H43 | 107.2° | 109.4° |
| C13 | O | C14 | 120.1° | 117.0° |
| O22 | C54 | C53 | 110.6° | 109.5° |
| O22 | C54 | H23 | 109.5° | 109.6° |
| C54 | O22 | H24 | 109.5° | 114.0° |
| C54 | C53 | C52 | 108.2° | 109.1° |
| C53 | C54 | H23 | 108.2° | 109.6° |
| C54 | C53 | H25 | 109.8° | 109.5° |
| C54 | C53 | H26 | 109.8° | 109.5° |
| C4 | C5 | C6 | 114.3° | 120.0° |
| C5 | C4 | H42 | 107.2° | 109.5° |
| C5 | C4 | H43 | 107.2° | 109.5° |
| C5 | C6 | C7 | 120.4° | 120.0° |
| C5 | C6 | H48 | 119.8° | 120.0° |
| N | C2 | C1 | 114.4° | 120.0° |
| C2 | N | H2 | 117.6° | 120.1° |
| C2 | C1 | C | 116.2° | 109.5° |
| C2 | C1 | O3 | 106.1° | 109.5° |
| C2 | C1 | H34 | 108.8° | 109.4° |
| C28 | O7 | C24 | 116.7° | 114.0° |
| O7 | C28 | O8 | 109.8° | 109.5° |
| O7 | C28 | H59 | 109.9° | 109.4° |
| O7 | C24 | C23 | 107.6° | 109.6° |
| O7 | C24 | C25 | 109.4° | 109.5° |
| O7 | C24 | H56 | 110.5° | 109.6° |
| C53 | C52 | O19 | 110.9° | 109.5° |
| C53 | C52 | H16 | 107.7° | 109.5° |
| C52 | C53 | H25 | 109.8° | 109.5° |
| C52 | C53 | H26 | 109.8° | 109.5° |
| C52 | O19 | C48 | 114.2° | 114.0° |
| O19 | C52 | H16 | 108.8° | 109.4° |
| C28 | O8 | C32 | 111.4° | 114.1° |
| O8 | C28 | H59 | 110.0° | 109.5° |
| O8 | C32 | C33 | 108.2° | 109.5° |
| O8 | C32 | H60 | 110.4° | 109.4° |
| C6 | C7 | H47 | 120.3° | 120.0° |
| C7 | C6 | H48 | 119.8° | 120.0° |
| C33 | C32 | H60 | 108.9° | 109.5° |
| C32 | C33 | H61 | 109.5° | 109.5° |
| C32 | C33 | H62 | 109.5° | 109.4° |
| C32 | C33 | H63 | 109.5° | 109.4° |
| O18 | C49 | C48 | 107.1° | 109.6° |
| O18 | C49 | C50 | 111.2° | 109.5° |
| O18 | C49 | H13 | 109.6° | 109.5° |
| C49 | O18 | H14 | 109.5° | 114.0° |
| C | C1 | O3 | 106.9° | 109.5° |
| C1 | C | C16 | 112.3° | 109.5° |
| C1 | C | C21 | 110.3° | 109.5° |
| C1 | C | H1 | 107.5° | 109.5° |
| C | C1 | H34 | 108.6° | 109.5° |
| C1 | O3 | C15 | 116.3° | 114.0° |
| O3 | C1 | H34 | 110.1° | 109.5° |
| O | C14 | H39 | 109.5° | 109.5° |
| O | C14 | H40 | 109.4° | 109.5° |
| O | C14 | H41 | 109.5° | 109.5° |
| C24 | C23 | C22 | 113.6° | 109.2° |
| C23 | C24 | C25 | 110.9° | 109.0° |
| C23 | C24 | H56 | 109.2° | 109.5° |
| C24 | C23 | H57 | 108.4° | 109.5° |
| C24 | C23 | H58 | 108.4° | 109.5° |
| C23 | C22 | O4 | 109.1° | 109.5° |
| C23 | C22 | O5 | 111.1° | 109.4° |
| C23 | C22 | H49 | 109.1° | 109.5° |
| C22 | C23 | H57 | 108.4° | 109.5° |
| C22 | C23 | H58 | 108.4° | 109.5° |
| C24 | C25 | O6 | 111.5° | 109.5° |
| C24 | C25 | C26 | 107.9° | 109.2° |
| C24 | C25 | H54 | 108.5° | 109.5° |
| C25 | C24 | H56 | 109.3° | 109.6° |
| O6 | C25 | C26 | 110.7° | 109.5° |
| O6 | C25 | H54 | 109.7° | 109.5° |
| C25 | O6 | H55 | 109.5° | 114.0° |
| C25 | C26 | O5 | 105.3° | 109.4° |
| C25 | C26 | C27 | 113.5° | 109.5° |
| C25 | C26 | H50 | 109.1° | 109.5° |
| C26 | C25 | H54 | 108.5° | 109.6° |
| C22 | O4 | C21 | 114.6° | 114.0° |
| O4 | C22 | O5 | 106.2° | 109.5° |
| O4 | C22 | H49 | 110.6° | 109.5° |
| O4 | C21 | C | 106.0° | 109.8° |
| O4 | C21 | C20 | 106.2° | 109.9° |
| O4 | C21 | H33 | 110.9° | 109.9° |
| O19 | C48 | C49 | 109.6° | 109.5° |
| O19 | C48 | C47 | 112.6° | 109.5° |
| O19 | C48 | H15 | 108.8° | 109.7° |
| C16 | C | C21 | 111.3° | 109.4° |
| C | C16 | C17 | 111.6° | 111.2° |
| C16 | C | H1 | 107.6° | 109.5° |
| C | C16 | H31 | 108.9° | 109.2° |
| C | C16 | H32 | 108.9° | 109.1° |
| C | C21 | C20 | 114.9° | 107.4° |
| C21 | C | H1 | 107.6° | 109.5° |
| C | C21 | H33 | 109.2° | 109.9° |
| C49 | C48 | C47 | 110.4° | 109.0° |
| C48 | C49 | C50 | 112.4° | 109.1° |
| C48 | C49 | H13 | 108.4° | 109.5° |
| C49 | C48 | H15 | 107.7° | 109.5° |
| C48 | C47 | C46 | 110.4° | 109.1° |
| C47 | C48 | H15 | 107.6° | 109.5° |
| C48 | C47 | H27 | 109.2° | 109.5° |
| C48 | C47 | H28 | 109.2° | 109.6° |
| C22 | O5 | C26 | 111.5° | 114.1° |
| O5 | C22 | H49 | 110.6° | 109.5° |
| O5 | C26 | C27 | 109.3° | 109.4° |
| O5 | C26 | H50 | 110.5° | 109.5° |
| C49 | C50 | C51 | 112.6° | 109.5° |
| C49 | C50 | O17 | 111.9° | 109.5° |
| C49 | C50 | H9 | 107.9° | 109.5° |
| C50 | C49 | H13 | 108.1° | 109.5° |
| C16 | C17 | C18 | 117.6° | 118.6° |
| C16 | C17 | C19 | 122.5° | 121.3° |
| C17 | C16 | H31 | 108.9° | 109.1° |
| C17 | C16 | H32 | 108.9° | 109.1° |
| C21 | C20 | C19 | 119.8° | 117.8° |
| C21 | C20 | O14 | 119.0° | 121.1° |
| C20 | C21 | H33 | 109.7° | 109.9° |
| C27 | C26 | H50 | 109.1° | 109.5° |
| C26 | C27 | H51 | 109.5° | 109.5° |
| C26 | C27 | H52 | 109.5° | 109.5° |
| C26 | C27 | H53 | 109.5° | 109.5° |
| O3 | C15 | H35 | 109.5° | 109.5° |
| O3 | C15 | H36 | 109.5° | 109.5° |
| O3 | C15 | H37 | 109.4° | 109.4° |
| C51 | C50 | O17 | 107.1° | 109.4° |
| C51 | C50 | H9 | 108.0° | 109.4° |
| C50 | C51 | H10 | 109.5° | 109.5° |
| C50 | C51 | H11 | 109.5° | 109.5° |
| C50 | C51 | H12 | 109.5° | 109.5° |
| C50 | O17 | C46 | 111.9° | 114.0° |
| O17 | C50 | H9 | 109.3° | 109.5° |
| C47 | C46 | O17 | 108.4° | 109.4° |
| C47 | C46 | O16 | 112.7° | 109.4° |
| C47 | C46 | H8 | 108.1° | 109.5° |
| C46 | C47 | H27 | 109.2° | 109.5° |
| C46 | C47 | H28 | 109.2° | 109.5° |
| C18 | C17 | C19 | 119.9° | 120.1° |
| C17 | C18 | C43 | 120.1° | 120.7° |
| C17 | C18 | H30 | 119.9° | 119.7° |
| C17 | C19 | C20 | 119.0° | 120.0° |
| C17 | C19 | C41 | 119.5° | 120.7° |
| C18 | C43 | C44 | 119.7° | 120.8° |
| C18 | C43 | C42 | 120.1° | 119.8° |
| C43 | C18 | H30 | 119.9° | 119.7° |
| O17 | C46 | O16 | 108.6° | 109.5° |
| O17 | C46 | H8 | 109.6° | 109.5° |
| C46 | O16 | C45 | 123.5° | 117.0° |
| O16 | C46 | H8 | 109.5° | 109.5° |
| C19 | C20 | O14 | 121.2° | 121.1° |
| C20 | C19 | C41 | 121.5° | 119.3° |
| C19 | C41 | C42 | 121.1° | 119.4° |
| C19 | C41 | O15 | 120.9° | 120.3° |
| C44 | C43 | C42 | 120.2° | 119.4° |
| C43 | C44 | C45 | 120.2° | 119.9° |
| C43 | C44 | H29 | 119.9° | 120.1° |
| C43 | C42 | C41 | 119.2° | 119.3° |
| C43 | C42 | C60 | 120.3° | 119.6° |
| C44 | C45 | O16 | 120.5° | 119.6° |
| C44 | C45 | C58 | 119.6° | 120.8° |
| C45 | C44 | H29 | 119.9° | 120.0° |
| C42 | C41 | O15 | 118.1° | 120.3° |
| C41 | C42 | C60 | 120.5° | 121.1° |
| C41 | O15 | H3 | 109.5° | 114.0° |
| C42 | C60 | C58 | 120.0° | 119.7° |
| C42 | C60 | O23 | 118.5° | 120.2° |
| O16 | C45 | C58 | 119.9° | 119.6° |
| C45 | C58 | C60 | 119.7° | 120.6° |
| C45 | C58 | C59 | 120.2° | 119.7° |
| C58 | C60 | O23 | 121.5° | 120.2° |
| C60 | C58 | C59 | 120.1° | 119.7° |
| C60 | O23 | H4 | 109.5° | 114.0° |
| C58 | C59 | H5 | 109.5° | 109.5° |
| C58 | C59 | H6 | 109.5° | 109.5° |
| C58 | C59 | H7 | 109.5° | 109.5° |
| H5 | C59 | H6 | 109.5° | 109.5° |
| H5 | C59 | H7 | 109.5° | 109.4° |
| H6 | C59 | H7 | 109.5° | 109.5° |
| H10 | C51 | H11 | 109.5° | 109.4° |
| H10 | C51 | H12 | 109.5° | 109.5° |
| H11 | C51 | H12 | 109.5° | 109.5° |
| H18 | C57 | H19 | 109.5° | 109.4° |
| H18 | C57 | H20 | 109.5° | 109.5° |
| H19 | C57 | H20 | 109.5° | 109.5° |
| H25 | C53 | H26 | 109.5° | 109.6° |
| H27 | C47 | H28 | 109.5° | 109.6° |
| H31 | C16 | H32 | 109.5° | 109.1° |
| H35 | C15 | H36 | 109.5° | 109.5° |
| H35 | C15 | H37 | 109.5° | 109.4° |
| H36 | C15 | H37 | 109.5° | 109.4° |
| H39 | C14 | H40 | 109.5° | 109.5° |
| H39 | C14 | H41 | 109.5° | 109.5° |
| H40 | C14 | H41 | 109.4° | 109.4° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| H51 | C27 | H52 | 109.5° | 109.4° |
| H51 | C27 | H53 | 109.5° | 109.5° |
| H52 | C27 | H53 | 109.4° | 109.4° |
| H57 | C23 | H58 | 109.5° | 109.6° |
| H61 | C33 | H62 | 109.5° | 109.5° |
| H61 | C33 | H63 | 109.5° | 109.5° |
| H62 | C33 | H63 | 109.4° | 109.5° |
| H67 | C29 | H68 | 109.4° | 109.6° |
| H71 | C39 | H72 | 109.5° | 109.5° |
| H71 | C39 | H73 | 109.5° | 109.5° |
| H72 | C39 | H73 | 109.4° | 109.4° |
| H76 | C40 | H77 | 109.5° | 109.5° |
| H76 | C40 | H78 | 109.5° | 109.5° |
| H77 | C40 | H78 | 109.5° | 109.5° |
| H80 | C35 | H81 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C36 | O11 | C35 | 117.3° | 120.2° |
| C40 | C36 | O11 | C37 | 122.5° | 120.3° |
| C40 | C36 | C35 | C37 | 121.7° | 120.0° |
| C40 | C36 | C37 | O13 | 62.8° | 63.2° |
| C40 | C36 | C35 | C34 | 174.7° | 176.9° |
| C40 | C36 | C37 | C38 | 176.0° | 177.0° |
| C40 | C36 | C37 | H74 | 57.7° | 57.0° |
| C36 | C40 | H76 | H77 | 120.0° | 120.0° |
| C36 | C40 | H76 | H78 | 120.0° | 120.0° |
| C36 | C40 | H77 | H78 | 120.0° | 120.0° |
| C40 | C36 | O11 | H79 | 180.0° | 60.3° |
| C40 | C36 | C35 | H80 | 54.4° | 63.2° |
| C40 | C36 | C35 | H81 | 65.1° | 57.1° |
| O11 | C36 | C35 | C37 | 120.5° | 119.9° |
| O11 | C36 | C37 | O13 | 58.5° | 57.0° |
| O11 | C36 | C35 | C34 | 67.5° | 62.9° |
| O11 | C36 | C37 | C38 | 62.7° | 62.9° |
| O11 | C36 | C37 | H74 | 179.0° | 177.2° |
| O11 | C36 | C40 | H76 | 180.0° | 60.0° |
| O11 | C36 | C40 | H77 | 60.0° | 180.0° |
| O11 | C36 | C40 | H78 | 60.0° | 60.0° |
| O11 | C36 | C35 | H80 | 172.2° | 57.0° |
| O11 | C36 | C35 | H81 | 52.7° | 177.2° |
| C35 | C36 | C37 | O13 | 177.3° | 176.9° |
| C36 | C35 | C34 | H80 | 120.3° | 119.9° |
| C36 | C35 | C34 | H81 | 120.2° | 119.9° |
| C35 | C36 | C37 | C38 | 56.1° | 57.0° |
| C36 | C35 | C34 | O10 | 170.5° | 177.6° |
| C36 | C35 | C34 | O12 | 52.6° | 57.6° |
| C36 | C35 | C34 | H69 | 70.4° | 62.4° |
| C35 | C36 | C37 | H74 | 62.2° | 62.9° |
| C35 | C36 | C40 | H76 | 63.1° | 60.1° |
| C35 | C36 | C40 | H77 | 176.9° | 59.8° |
| C35 | C36 | C40 | H78 | 56.9° | 179.8° |
| C35 | C36 | O11 | H79 | 62.8° | 59.9° |
| C36 | C35 | H80 | H81 | 119.3° | 120.2° |
| C36 | C37 | O13 | C38 | 120.8° | 119.7° |
| C36 | C37 | O13 | H74 | 119.7° | 120.2° |
| C37 | C36 | C35 | C34 | 53.0° | 57.0° |
| C36 | C37 | C38 | H74 | 118.3° | 120.0° |
| C36 | C37 | C38 | O12 | 58.7° | 57.7° |
| C36 | C37 | C38 | C39 | 177.8° | 177.6° |
| C36 | C37 | C38 | H70 | 61.8° | 62.4° |
| C36 | C37 | O13 | H75 | 180.0° | 179.7° |
| C37 | C36 | C40 | H76 | 57.9° | 179.7° |
| C37 | C36 | C40 | H77 | 62.1° | 59.8° |
| C37 | C36 | C40 | H78 | 177.9° | 60.2° |
| C37 | C36 | O11 | H79 | 57.5° | 179.5° |
| C37 | C36 | C35 | H80 | 67.2° | 176.9° |
| C37 | C36 | C35 | H81 | 173.2° | 62.9° |
| O13 | C37 | C38 | H74 | 120.2° | 120.1° |
| O13 | C37 | C38 | O12 | 179.8° | 177.6° |
| O13 | C37 | C38 | C39 | 60.7° | 62.5° |
| O13 | C37 | C38 | H70 | 59.6° | 57.5° |
| C35 | C34 | O10 | O12 | 119.0° | 119.9° |
| C35 | C34 | O10 | H69 | 118.1° | 120.0° |
| C35 | C34 | O12 | H69 | 122.2° | 120.0° |
| C35 | C34 | O12 | C38 | 57.7° | 61.2° |
| C35 | C34 | O10 | C30 | 169.8° | 175.1° |
| C34 | C35 | H80 | H81 | 119.3° | 120.1° |
| C37 | C38 | O12 | C34 | 60.8° | 61.2° |
| C37 | C38 | O12 | C39 | 121.2° | 119.9° |
| C37 | C38 | O12 | H70 | 119.8° | 120.1° |
| C37 | C38 | C39 | H70 | 120.3° | 120.1° |
| C37 | C38 | C39 | H71 | 180.0° | 179.9° |
| C37 | C38 | C39 | H72 | 60.0° | 60.1° |
| C37 | C38 | C39 | H73 | 60.0° | 59.8° |
| C38 | C37 | O13 | H75 | 59.2° | 60.0° |
| C57 | C56 | C55 | O21 | 63.2° | 62.5° |
| C57 | C56 | C55 | O20 | 123.0° | 120.0° |
| C57 | C56 | C55 | H17 | 117.5° | 120.1° |
| C57 | C56 | O20 | H17 | 119.3° | 120.1° |
| C57 | C56 | C55 | C54 | 175.6° | 177.6° |
| C57 | C56 | O20 | C52 | 178.6° | 178.9° |
| C56 | C57 | H18 | H19 | 120.0° | 120.0° |
| C56 | C57 | H18 | H20 | 120.0° | 120.0° |
| C56 | C57 | H19 | H20 | 120.0° | 120.0° |
| C57 | C56 | C55 | H21 | 57.2° | 57.7° |
| O21 | C55 | C56 | C54 | 121.3° | 119.9° |
| O21 | C55 | C56 | H21 | 120.3° | 120.2° |
| O21 | C55 | C56 | O20 | 173.9° | 177.5° |
| O21 | C55 | C54 | H21 | 119.8° | 120.2° |
| O21 | C55 | C54 | O22 | 62.7° | 63.2° |
| O21 | C55 | C54 | C53 | 175.1° | 176.9° |
| O21 | C55 | C56 | H17 | 54.3° | 57.5° |
| O21 | C55 | C54 | H23 | 56.5° | 57.0° |
| O10 | C34 | O12 | H69 | 123.0° | 120.1° |
| O10 | C34 | O12 | C38 | 172.5° | 178.9° |
| C34 | O10 | C30 | C29 | 71.1° | 90.0° |
| C34 | O10 | C30 | C31 | 166.9° | 150.4° |
| C34 | O10 | C30 | H66 | 49.0° | 30.2° |
| O10 | C34 | C35 | H80 | 50.3° | 62.5° |
| O10 | C34 | C35 | H81 | 69.3° | 57.7° |
| C34 | O12 | C38 | C39 | 178.1° | 178.9° |
| O12 | C34 | O10 | C30 | 71.2° | 65.0° |
| C34 | O12 | C38 | H70 | 59.0° | 58.9° |
| O12 | C34 | C35 | H80 | 67.7° | 177.5° |
| O12 | C34 | C35 | H81 | 172.8° | 62.3° |
| O12 | C38 | C39 | H70 | 119.9° | 120.0° |
| C38 | O12 | C34 | H69 | 64.6° | 58.8° |
| O12 | C38 | C39 | H71 | 60.1° | 60.0° |
| O12 | C38 | C39 | H72 | 179.8° | 180.0° |
| O12 | C38 | C39 | H73 | 59.9° | 60.0° |
| O12 | C38 | C37 | H74 | 59.6° | 62.3° |
| C38 | C39 | H71 | H72 | 120.0° | 120.0° |
| C38 | C39 | H71 | H73 | 120.0° | 120.1° |
| C38 | C39 | H72 | H73 | 120.0° | 120.0° |
| C39 | C38 | C37 | H74 | 59.5° | 57.6° |
| O10 | C30 | C31 | O9 | 40.5° | 56.9° |
| O10 | C30 | C29 | C31 | 117.7° | 119.9° |
| O10 | C30 | C29 | H66 | 121.1° | 120.2° |
| O10 | C30 | C31 | H66 | 118.8° | 120.2° |
| O10 | C30 | C29 | C28 | 151.5° | 176.9° |
| O10 | C30 | C31 | C32 | 162.1° | 176.9° |
| O10 | C30 | C31 | H64 | 78.6° | 63.3° |
| O10 | C30 | C29 | H67 | 30.6° | 63.2° |
| O10 | C30 | C29 | H68 | 87.6° | 57.0° |
| C30 | O10 | C34 | H69 | 51.7° | 55.1° |
| C55 | C56 | O20 | H17 | 118.9° | 120.0° |
| C56 | C55 | C54 | H21 | 118.4° | 119.9° |
| C55 | C56 | O20 | C52 | 59.7° | 61.1° |
| C56 | C55 | C54 | O22 | 175.5° | 176.8° |
| C56 | C55 | C54 | C53 | 53.3° | 57.0° |
| C55 | C56 | C57 | H18 | 180.0° | 60.0° |
| C55 | C56 | C57 | H19 | 60.0° | 180.0° |
| C55 | C56 | C57 | H20 | 60.0° | 60.0° |
| C56 | C55 | O21 | H22 | 180.0° | 60.0° |
| C56 | C55 | C54 | H23 | 65.3° | 63.0° |
| O20 | C56 | C55 | C54 | 52.6° | 57.6° |
| C56 | O20 | C52 | C53 | 63.4° | 61.1° |
| C56 | O20 | C52 | O19 | 173.9° | 178.8° |
| C56 | O20 | C52 | H16 | 53.4° | 58.9° |
| O20 | C56 | C57 | H18 | 57.5° | 59.9° |
| O20 | C56 | C57 | H19 | 177.4° | 60.0° |
| O20 | C56 | C57 | H20 | 62.6° | 179.9° |
| O20 | C56 | C55 | H21 | 65.8° | 62.3° |
| O9 | C31 | C30 | C29 | 79.5° | 62.9° |
| O9 | C31 | C30 | C32 | 121.6° | 119.9° |
| O9 | C31 | C30 | H64 | 119.2° | 120.2° |
| O9 | C31 | C32 | H64 | 119.9° | 120.1° |
| O9 | C31 | C32 | O8 | 60.9° | 62.4° |
| O9 | C31 | C32 | C33 | 58.3° | 57.6° |
| O9 | C31 | C32 | H60 | 179.5° | 177.7° |
| O9 | C31 | C30 | H66 | 159.3° | 177.2° |
| C10 | C9 | C8 | H45 | 180.0° | 180.0° |
| C9 | C10 | C5 | H44 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C9 | C10 | C5 | C4 | 179.9° | 179.9° |
| C9 | C10 | C5 | C6 | 0.7° | 0.3° |
| C10 | C9 | C8 | H46 | 179.8° | 180.0° |
| C8 | C9 | C10 | C5 | 0.6° | 0.0° |
| C9 | C8 | C7 | H46 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.2° |
| C8 | C9 | C10 | H44 | 179.4° | 179.9° |
| C9 | C8 | C7 | H47 | 180.0° | 180.0° |
| C55 | C54 | O22 | C53 | 122.5° | 119.6° |
| C55 | C54 | O22 | H23 | 118.4° | 120.2° |
| C55 | C54 | C53 | H23 | 118.7° | 119.9° |
| C55 | C54 | C53 | C52 | 57.4° | 57.0° |
| C54 | C55 | C56 | H17 | 66.9° | 62.4° |
| C54 | C55 | O21 | H22 | 58.7° | 179.7° |
| C55 | C54 | O22 | H24 | 180.0° | 179.9° |
| C55 | C54 | C53 | H25 | 62.4° | 176.8° |
| C55 | C54 | C53 | H26 | 177.2° | 62.9° |
| C10 | C5 | C4 | C3 | 4.7° | 89.7° |
| C10 | C5 | C4 | C6 | 179.3° | 179.8° |
| C10 | C5 | C6 | C7 | 0.4° | 0.5° |
| C10 | C5 | C4 | H42 | 126.0° | 150.3° |
| C10 | C5 | C4 | H43 | 116.5° | 30.2° |
| C5 | C10 | C9 | H45 | 179.4° | 180.0° |
| C10 | C5 | C6 | H48 | 179.6° | 179.7° |
| O1 | C13 | C3 | O | 178.9° | 179.9° |
| O1 | C13 | C3 | N | 122.5° | 0.1° |
| O1 | C13 | C3 | C4 | 120.1° | 120.0° |
| O1 | C13 | O | C14 | 55.5° | 0.0° |
| O1 | C13 | C3 | H38 | 1.1° | 120.0° |
| O20 | C52 | C53 | C54 | 60.3° | 57.6° |
| O20 | C52 | C53 | O19 | 123.4° | 120.0° |
| O20 | C52 | C53 | H16 | 117.6° | 120.0° |
| O20 | C52 | O19 | H16 | 120.6° | 120.0° |
| O20 | C52 | O19 | C48 | 108.4° | 65.0° |
| C52 | O20 | C56 | H17 | 59.3° | 58.8° |
| O20 | C52 | C53 | H25 | 59.5° | 177.5° |
| O20 | C52 | C53 | H26 | 179.9° | 62.3° |
| C29 | C30 | C31 | H66 | 121.2° | 119.9° |
| C30 | C29 | C28 | H67 | 120.9° | 119.9° |
| C30 | C29 | C28 | H68 | 120.9° | 119.8° |
| C29 | C30 | C31 | C32 | 42.1° | 57.0° |
| C30 | C29 | C28 | O7 | 162.6° | 177.6° |
| C30 | C29 | C28 | O8 | 42.4° | 57.6° |
| C30 | C29 | C28 | H59 | 78.3° | 62.5° |
| C29 | C30 | C31 | H64 | 161.4° | 176.9° |
| C30 | C29 | H67 | H68 | 117.3° | 120.1° |
| C31 | C30 | C29 | C28 | 33.8° | 56.9° |
| C30 | C31 | C32 | H64 | 119.2° | 119.9° |
| C30 | C31 | C32 | O8 | 60.0° | 57.6° |
| C30 | C31 | C32 | C33 | 179.2° | 177.6° |
| C30 | C31 | C32 | H60 | 59.5° | 62.4° |
| C30 | C31 | O9 | H65 | 180.0° | 179.7° |
| C31 | C30 | C29 | H67 | 87.1° | 176.9° |
| C31 | C30 | C29 | H68 | 154.7° | 62.9° |
| C8 | C7 | C6 | C5 | 0.0° | 0.4° |
| C8 | C7 | C6 | H47 | 180.0° | 179.8° |
| C7 | C8 | C9 | H45 | 179.8° | 180.0° |
| C8 | C7 | C6 | H48 | 180.0° | 179.8° |
| O2 | C2 | N | C3 | 11.1° | 0.1° |
| O2 | C2 | N | C1 | 176.9° | 179.9° |
| O2 | C2 | C1 | C | 19.3° | 115.1° |
| O2 | C2 | C1 | O3 | 137.9° | 5.0° |
| O2 | C2 | N | H2 | 168.9° | 180.0° |
| O2 | C2 | C1 | H34 | 103.6° | 125.0° |
| C29 | C28 | O7 | O8 | 120.6° | 120.0° |
| C29 | C28 | O7 | H59 | 118.3° | 120.0° |
| C29 | C28 | O7 | C24 | 157.6° | 175.0° |
| C29 | C28 | O8 | H59 | 119.8° | 120.0° |
| C29 | C28 | O8 | C32 | 62.5° | 61.1° |
| C28 | C29 | C30 | H66 | 87.4° | 63.0° |
| C28 | C29 | H67 | H68 | 117.3° | 120.2° |
| C31 | C32 | O8 | C28 | 71.9° | 61.1° |
| C31 | C32 | O8 | C33 | 122.3° | 120.0° |
| C31 | C32 | O8 | H60 | 118.6° | 120.0° |
| C31 | C32 | C33 | H60 | 121.3° | 120.1° |
| C31 | C32 | C33 | H61 | 180.0° | 179.9° |
| C31 | C32 | C33 | H62 | 60.0° | 60.0° |
| C31 | C32 | C33 | H63 | 60.0° | 59.9° |
| C32 | C31 | O9 | H65 | 57.7° | 60.0° |
| C32 | C31 | C30 | H66 | 79.1° | 62.9° |
| C13 | C3 | N | C4 | 115.7° | 119.9° |
| C13 | C3 | N | H38 | 123.2° | 120.0° |
| C13 | C3 | C4 | H38 | 119.3° | 120.0° |
| C13 | C3 | C4 | C5 | 140.2° | 175.0° |
| C13 | C3 | N | C2 | 174.0° | 85.0° |
| C3 | C13 | O | C14 | 123.4° | 180.0° |
| C13 | C3 | N | H2 | 6.0° | 94.9° |
| C13 | C3 | C4 | H42 | 98.6° | 65.0° |
| C13 | C3 | C4 | H43 | 18.9° | 55.0° |
| N | C3 | C4 | H38 | 121.8° | 120.0° |
| N | C3 | C13 | O | 58.6° | 180.0° |
| N | C3 | C4 | C5 | 101.0° | 65.0° |
| C3 | N | C2 | H2 | 180.0° | 179.9° |
| C3 | N | C2 | C1 | 165.8° | 180.0° |
| N | C3 | C4 | H42 | 20.3° | 55.0° |
| N | C3 | C4 | H43 | 137.8° | 175.0° |
| C4 | C3 | C13 | O | 58.7° | 60.1° |
| C3 | C4 | C5 | H42 | 121.3° | 120.0° |
| C3 | C4 | C5 | H43 | 121.2° | 120.0° |
| C3 | C4 | C5 | C6 | 176.0° | 90.1° |
| C4 | C3 | N | C2 | 70.3° | 155.0° |
| C4 | C3 | N | H2 | 109.7° | 25.0° |
| C3 | C4 | H42 | H43 | 116.0° | 119.9° |
| O | C13 | C3 | H38 | 177.8° | 60.0° |
| C13 | O | C14 | H39 | 180.0° | 180.0° |
| C13 | O | C14 | H40 | 60.0° | 60.0° |
| C13 | O | C14 | H41 | 60.0° | 60.0° |
| O22 | C54 | C53 | H23 | 120.0° | 120.3° |
| O22 | C54 | C53 | C52 | 178.7° | 176.8° |
| O22 | C54 | C55 | H21 | 57.2° | 57.0° |
| O22 | C54 | C53 | H25 | 58.9° | 63.3° |
| O22 | C54 | C53 | H26 | 61.5° | 56.9° |
| C54 | C53 | C52 | H25 | 119.8° | 119.9° |
| C54 | C53 | C52 | H26 | 119.8° | 119.9° |
| C54 | C53 | C52 | O19 | 176.2° | 177.6° |
| C54 | C53 | C52 | H16 | 57.2° | 62.4° |
| C53 | C54 | C55 | H21 | 65.0° | 62.9° |
| C53 | C54 | O22 | H24 | 57.5° | 60.5° |
| C54 | C53 | H25 | H26 | 120.6° | 120.2° |
| C4 | C5 | C6 | C7 | 179.7° | 179.7° |
| C5 | C4 | C3 | H38 | 20.9° | 55.0° |
| C5 | C4 | H42 | H43 | 116.0° | 120.1° |
| C4 | C5 | C10 | H44 | 0.1° | 0.0° |
| C4 | C5 | C6 | H48 | 0.3° | 0.1° |
| C5 | C6 | C7 | H48 | 180.0° | 179.8° |
| C6 | C5 | C4 | H42 | 54.8° | 29.9° |
| C6 | C5 | C4 | H43 | 62.7° | 150.0° |
| C6 | C5 | C10 | H44 | 179.3° | 179.8° |
| C5 | C6 | C7 | H47 | 180.0° | 179.8° |
| N | C2 | C1 | C | 157.6° | 65.0° |
| N | C2 | C1 | O3 | 39.0° | 174.9° |
| N | C2 | C1 | H34 | 79.4° | 54.9° |
| C2 | N | C3 | H38 | 50.8° | 35.0° |
| C2 | C1 | C | O3 | 118.2° | 120.0° |
| C2 | C1 | C | H34 | 123.1° | 120.0° |
| C2 | C1 | O3 | H34 | 117.6° | 120.0° |
| C2 | C1 | C | C16 | 58.5° | 60.0° |
| C2 | C1 | C | C21 | 176.7° | 179.9° |
| C2 | C1 | O3 | C15 | 115.9° | 90.0° |
| C2 | C1 | C | H1 | 59.7° | 60.0° |
| C1 | C2 | N | H2 | 14.2° | 0.1° |
| O7 | C28 | O8 | H59 | 121.1° | 120.0° |
| O7 | C28 | O8 | C32 | 178.4° | 178.9° |
| C28 | O7 | C24 | C23 | 145.2° | 90.4° |
| C28 | O7 | C24 | C25 | 94.3° | 150.0° |
| C28 | O7 | C24 | H56 | 26.1° | 29.8° |
| O7 | C28 | C29 | H67 | 41.7° | 62.5° |
| O7 | C28 | C29 | H68 | 76.6° | 57.8° |
| C24 | O7 | C28 | O8 | 81.8° | 65.0° |
| O7 | C24 | C23 | C25 | 119.6° | 119.9° |
| O7 | C24 | C23 | H56 | 119.9° | 120.2° |
| O7 | C24 | C23 | C22 | 161.3° | 176.9° |
| O7 | C24 | C25 | H56 | 121.1° | 120.2° |
| O7 | C24 | C25 | O6 | 66.4° | 63.2° |
| O7 | C24 | C25 | C26 | 171.9° | 176.9° |
| O7 | C24 | C25 | H54 | 54.5° | 57.0° |
| O7 | C24 | C23 | H57 | 40.7° | 63.2° |
| O7 | C24 | C23 | H58 | 78.1° | 57.0° |
| C24 | O7 | C28 | H59 | 39.3° | 55.0° |
| C53 | C52 | O19 | H16 | 118.3° | 120.0° |
| C53 | C52 | O19 | C48 | 130.5° | 175.0° |
| C52 | C53 | C54 | H23 | 61.3° | 62.9° |
| C52 | C53 | H25 | H26 | 120.6° | 120.2° |
| C52 | O19 | C48 | C49 | 155.1° | 150.0° |
| C52 | O19 | C48 | C47 | 81.6° | 90.5° |
| C52 | O19 | C48 | H15 | 37.6° | 29.7° |
| O19 | C52 | C53 | H25 | 64.0° | 62.5° |
| O19 | C52 | C53 | H26 | 56.5° | 57.7° |
| C28 | O8 | C32 | C33 | 165.8° | 178.9° |
| C28 | O8 | C32 | H60 | 46.7° | 58.9° |
| O8 | C28 | C29 | H67 | 78.5° | 177.5° |
| O8 | C28 | C29 | H68 | 163.3° | 62.2° |
| O8 | C32 | C33 | H60 | 120.0° | 119.9° |
| C32 | O8 | C28 | H59 | 57.3° | 58.9° |
| O8 | C32 | C33 | H61 | 61.3° | 59.9° |
| O8 | C32 | C33 | H62 | 178.7° | 180.0° |
| O8 | C32 | C33 | H63 | 58.7° | 60.1° |
| O8 | C32 | C31 | H64 | 179.2° | 177.5° |
| C6 | C7 | C8 | H46 | 179.9° | 179.8° |
| C32 | C33 | H61 | H62 | 120.0° | 120.0° |
| C32 | C33 | H61 | H63 | 120.0° | 120.0° |
| C32 | C33 | H62 | H63 | 120.0° | 119.9° |
| C33 | C32 | C31 | H64 | 61.6° | 62.5° |
| O18 | C49 | C48 | O19 | 67.0° | 63.3° |
| O18 | C49 | C48 | C50 | 122.3° | 120.0° |
| O18 | C49 | C48 | H13 | 118.2° | 120.2° |
| O18 | C49 | C48 | C47 | 168.4° | 176.9° |
| O18 | C49 | C50 | H13 | 120.4° | 120.2° |
| O18 | C49 | C50 | C51 | 69.8° | 62.4° |
| O18 | C49 | C50 | O17 | 169.5° | 177.6° |
| O18 | C49 | C50 | H9 | 49.3° | 57.5° |
| O18 | C49 | C48 | H15 | 51.2° | 57.1° |
| C | C1 | O3 | H34 | 117.8° | 120.0° |
| C1 | C | C21 | O4 | 72.1° | 175.2° |
| C1 | C | C16 | C21 | 124.3° | 120.0° |
| C1 | C | C16 | H1 | 118.1° | 120.0° |
| C1 | C | C21 | H1 | 116.9° | 120.0° |
| C1 | C | C16 | C17 | 175.9° | 65.3° |
| C1 | C | C21 | C20 | 171.0° | 55.7° |
| C | C1 | O3 | C15 | 119.5° | 150.0° |
| C1 | C | C16 | H31 | 55.6° | 55.1° |
| C1 | C | C16 | H32 | 63.8° | 174.3° |
| C1 | C | C21 | H33 | 47.4° | 63.8° |
| O3 | C1 | C | C16 | 59.8° | 60.0° |
| O3 | C1 | C | C21 | 65.1° | 59.9° |
| O3 | C1 | C | H1 | 178.0° | 179.9° |
| C1 | O3 | C15 | H35 | 180.0° | 60.0° |
| C1 | O3 | C15 | H36 | 60.0° | 60.0° |
| C1 | O3 | C15 | H37 | 60.0° | 180.0° |
| O | C14 | H39 | H40 | 120.0° | 120.0° |
| O | C14 | H39 | H41 | 120.0° | 120.0° |
| O | C14 | H40 | H41 | 120.0° | 120.0° |
| C24 | C23 | C22 | H57 | 120.6° | 119.9° |
| C24 | C23 | C22 | H58 | 120.6° | 119.9° |
| C23 | C24 | C25 | H56 | 120.4° | 119.9° |
| C23 | C24 | C25 | O6 | 175.1° | 176.9° |
| C23 | C24 | C25 | C26 | 53.4° | 57.0° |
| C24 | C23 | C22 | O4 | 160.2° | 177.6° |
| C24 | C23 | C22 | O5 | 43.4° | 57.6° |
| C24 | C23 | C22 | H49 | 78.8° | 62.3° |
| C23 | C24 | C25 | H54 | 64.0° | 63.0° |
| C24 | C23 | H57 | H58 | 118.1° | 120.1° |
| C22 | C23 | C24 | C25 | 41.7° | 57.0° |
| C23 | C22 | O4 | O5 | 119.8° | 119.9° |
| C23 | C22 | O4 | H49 | 120.0° | 120.0° |
| C23 | C22 | O4 | C21 | 153.3° | 175.0° |
| C23 | C22 | O5 | H49 | 121.4° | 119.9° |
| C23 | C22 | O5 | C26 | 60.2° | 61.2° |
| C22 | C23 | C24 | H56 | 78.8° | 62.9° |
| C22 | C23 | H57 | H58 | 118.1° | 120.2° |
| C24 | C25 | O6 | C26 | 120.1° | 119.7° |
| C24 | C25 | O6 | H54 | 120.2° | 120.1° |
| C24 | C25 | C26 | H54 | 117.4° | 119.9° |
| C24 | C25 | C26 | O5 | 67.9° | 57.7° |
| C24 | C25 | C26 | C27 | 172.7° | 177.6° |
| C24 | C25 | C26 | H50 | 50.8° | 62.4° |
| C24 | C25 | O6 | H55 | 180.0° | 180.0° |
| C25 | C24 | C23 | H57 | 78.9° | 176.9° |
| C25 | C24 | C23 | H58 | 162.3° | 62.9° |
| O6 | C25 | C26 | H54 | 120.4° | 120.2° |
| O6 | C25 | C26 | O5 | 169.9° | 177.6° |
| O6 | C25 | C26 | C27 | 50.5° | 62.5° |
| O6 | C25 | C26 | H50 | 71.4° | 57.5° |
| O6 | C25 | C24 | H56 | 54.8° | 57.1° |
| C25 | C26 | O5 | C22 | 72.8° | 61.2° |
| C25 | C26 | O5 | C27 | 122.3° | 120.0° |
| C25 | C26 | O5 | H50 | 117.7° | 120.0° |
| C25 | C26 | C27 | H50 | 121.9° | 120.1° |
| C25 | C26 | C27 | H51 | 180.0° | 180.0° |
| C25 | C26 | C27 | H52 | 60.0° | 60.1° |
| C25 | C26 | C27 | H53 | 60.0° | 59.9° |
| C26 | C25 | O6 | H55 | 59.9° | 60.3° |
| C26 | C25 | C24 | H56 | 66.9° | 62.9° |
| C22 | O4 | C21 | C | 144.4° | 150.0° |
| O4 | C22 | O5 | H49 | 120.1° | 120.1° |
| O4 | C22 | O5 | C26 | 178.7° | 178.9° |
| C22 | O4 | C21 | C20 | 93.0° | 92.0° |
| C22 | O4 | C21 | H33 | 26.1° | 29.0° |
| O4 | C22 | C23 | H57 | 39.5° | 62.5° |
| O4 | C22 | C23 | H58 | 79.2° | 57.7° |
| O4 | C21 | C | C16 | 162.5° | 55.2° |
| O4 | C21 | C | C20 | 116.9° | 119.5° |
| O4 | C21 | C | H33 | 119.4° | 121.0° |
| C21 | O4 | C22 | O5 | 86.9° | 65.1° |
| O4 | C21 | C20 | H33 | 119.9° | 121.1° |
| O4 | C21 | C20 | C19 | 133.7° | 76.6° |
| O4 | C21 | C20 | O14 | 43.6° | 103.4° |
| O4 | C21 | C | H1 | 44.8° | 64.8° |
| C21 | O4 | C22 | H49 | 33.2° | 55.0° |
| O19 | C48 | C49 | C47 | 124.6° | 119.8° |
| O19 | C48 | C49 | H15 | 118.2° | 120.3° |
| O19 | C48 | C47 | H15 | 119.9° | 120.3° |
| O19 | C48 | C49 | C50 | 170.7° | 176.8° |
| O19 | C48 | C47 | C46 | 175.0° | 176.9° |
| O19 | C48 | C49 | H13 | 51.2° | 56.9° |
| C48 | O19 | C52 | H16 | 12.1° | 55.0° |
| O19 | C48 | C47 | H27 | 54.9° | 63.3° |
| O19 | C48 | C47 | H28 | 64.9° | 56.9° |
| C16 | C | C21 | H1 | 117.6° | 120.0° |
| C | C16 | C17 | H31 | 120.3° | 120.5° |
| C | C16 | C17 | H32 | 120.3° | 120.4° |
| C16 | C | C21 | C20 | 45.6° | 64.3° |
| C | C16 | C17 | C18 | 149.6° | 157.5° |
| C | C16 | C17 | C19 | 31.0° | 22.8° |
| C | C16 | H31 | H32 | 119.0° | 119.2° |
| C16 | C | C21 | H33 | 78.1° | 176.2° |
| C16 | C | C1 | H34 | 178.5° | 179.9° |
| C21 | C | C16 | C17 | 51.6° | 54.7° |
| C | C21 | C20 | H33 | 123.4° | 119.5° |
| C | C21 | C20 | C19 | 16.9° | 42.9° |
| C | C21 | C20 | O14 | 160.4° | 137.1° |
| C21 | C | C16 | H31 | 68.7° | 175.1° |
| C21 | C | C16 | H32 | 171.9° | 65.7° |
| C21 | C | C1 | H34 | 53.6° | 60.1° |
| C49 | C48 | C47 | H15 | 117.3° | 119.8° |
| C48 | C49 | C50 | H13 | 119.6° | 119.8° |
| C48 | C49 | C50 | C51 | 170.2° | 177.6° |
| C48 | C49 | C50 | O17 | 49.5° | 57.6° |
| C49 | C48 | C47 | C46 | 52.2° | 57.0° |
| C48 | C49 | C50 | H9 | 70.7° | 62.4° |
| C48 | C49 | O18 | H14 | 180.0° | 179.7° |
| C49 | C48 | C47 | H27 | 68.0° | 176.9° |
| C49 | C48 | C47 | H28 | 172.3° | 62.9° |
| C47 | C48 | C49 | C50 | 46.1° | 57.0° |
| C48 | C47 | C46 | H27 | 120.1° | 119.8° |
| C48 | C47 | C46 | H28 | 120.1° | 119.9° |
| C48 | C47 | C46 | O17 | 61.3° | 57.7° |
| C48 | C47 | C46 | O16 | 178.5° | 177.6° |
| C48 | C47 | C46 | H8 | 57.3° | 62.4° |
| C47 | C48 | C49 | H13 | 73.4° | 62.9° |
| C48 | C47 | H27 | H28 | 119.6° | 120.2° |
| C22 | O5 | C26 | C27 | 164.9° | 178.9° |
| C22 | O5 | C26 | H50 | 44.9° | 58.9° |
| O5 | C22 | C23 | H57 | 77.2° | 177.5° |
| O5 | C22 | C23 | H58 | 164.0° | 62.3° |
| O5 | C26 | C27 | H50 | 120.9° | 120.0° |
| C26 | O5 | C22 | H49 | 61.2° | 58.8° |
| O5 | C26 | C27 | H51 | 62.8° | 60.1° |
| O5 | C26 | C27 | H52 | 177.2° | 180.0° |
| O5 | C26 | C27 | H53 | 57.2° | 60.0° |
| O5 | C26 | C25 | H54 | 49.5° | 62.3° |
| C49 | C50 | C51 | O17 | 123.4° | 120.0° |
| C49 | C50 | C51 | H9 | 119.0° | 120.0° |
| C49 | C50 | O17 | H9 | 119.4° | 120.1° |
| C49 | C50 | O17 | C46 | 59.9° | 61.2° |
| C49 | C50 | C51 | H10 | 180.0° | 180.0° |
| C49 | C50 | C51 | H11 | 60.0° | 60.1° |
| C49 | C50 | C51 | H12 | 60.0° | 59.9° |
| C50 | C49 | O18 | H14 | 56.9° | 60.0° |
| C50 | C49 | C48 | H15 | 71.1° | 62.9° |
| C16 | C17 | C18 | C19 | 179.4° | 179.6° |
| C16 | C17 | C18 | C43 | 179.6° | 179.3° |
| C16 | C17 | C19 | C20 | 1.6° | 0.9° |
| C16 | C17 | C19 | C41 | 179.6° | 179.1° |
| C17 | C16 | C | H1 | 66.0° | 174.7° |
| C16 | C17 | C18 | H30 | 0.4° | 0.7° |
| C17 | C16 | H31 | H32 | 119.0° | 119.1° |
| C21 | C20 | C19 | C17 | 6.0° | 11.9° |
| C21 | C20 | C19 | O14 | 177.3° | 180.0° |
| C21 | C20 | C19 | C41 | 172.8° | 168.2° |
| C20 | C21 | C | H1 | 72.1° | 175.8° |
| C26 | C27 | H51 | H52 | 120.0° | 120.0° |
| C26 | C27 | H51 | H53 | 120.0° | 120.1° |
| C26 | C27 | H52 | H53 | 120.0° | 120.0° |
| C27 | C26 | C25 | H54 | 70.0° | 57.7° |
| C15 | O3 | C1 | H34 | 1.7° | 30.0° |
| O3 | C15 | H35 | H36 | 120.0° | 120.1° |
| O3 | C15 | H35 | H37 | 120.0° | 120.0° |
| O3 | C15 | H36 | H37 | 120.0° | 120.0° |
| C51 | C50 | O17 | H9 | 116.8° | 120.0° |
| C51 | C50 | O17 | C46 | 176.3° | 178.8° |
| C50 | C51 | H10 | H11 | 120.0° | 120.0° |
| C50 | C51 | H10 | H12 | 120.0° | 120.0° |
| C50 | C51 | H11 | H12 | 120.0° | 120.0° |
| C51 | C50 | C49 | H13 | 50.6° | 57.8° |
| C50 | O17 | C46 | C47 | 65.5° | 61.2° |
| C50 | O17 | C46 | O16 | 171.7° | 178.9° |
| C50 | O17 | C46 | H8 | 52.2° | 58.8° |
| O17 | C50 | C51 | H10 | 56.6° | 60.0° |
| O17 | C50 | C51 | H11 | 176.6° | 180.0° |
| O17 | C50 | C51 | H12 | 63.4° | 60.0° |
| O17 | C50 | C49 | H13 | 70.1° | 62.2° |
| C47 | C46 | O17 | O16 | 122.7° | 119.9° |
| C47 | C46 | O17 | H8 | 117.8° | 120.0° |
| C47 | C46 | O16 | H8 | 120.4° | 120.0° |
| C47 | C46 | O16 | C45 | 151.4° | 175.1° |
| C46 | C47 | C48 | H15 | 65.1° | 62.8° |
| C46 | C47 | H27 | H28 | 119.6° | 120.2° |
| C17 | C18 | C43 | H30 | 180.0° | 180.0° |
| C18 | C17 | C19 | C20 | 179.0° | 179.4° |
| C18 | C17 | C19 | C41 | 0.2° | 0.5° |
| C17 | C18 | C43 | C44 | 179.8° | 179.9° |
| C17 | C18 | C43 | C42 | 0.4° | 0.0° |
| C18 | C17 | C16 | H31 | 90.1° | 37.1° |
| C18 | C17 | C16 | H32 | 29.3° | 82.0° |
| C19 | C17 | C18 | C43 | 0.2° | 0.4° |
| C17 | C19 | C20 | C41 | 178.8° | 179.9° |
| C17 | C19 | C20 | O14 | 176.8° | 168.1° |
| C17 | C19 | C41 | C42 | 0.4° | 0.2° |
| C17 | C19 | C41 | O15 | 179.4° | 179.8° |
| C19 | C17 | C18 | H30 | 179.8° | 179.7° |
| C19 | C17 | C16 | H31 | 89.3° | 143.3° |
| C19 | C17 | C16 | H32 | 151.3° | 97.6° |
| C18 | C43 | C44 | C42 | 179.4° | 179.9° |
| C18 | C43 | C44 | C45 | 179.6° | 179.8° |
| C18 | C43 | C42 | C41 | 0.6° | 0.3° |
| C18 | C43 | C42 | C60 | 180.0° | 179.7° |
| C18 | C43 | C44 | H29 | 0.4° | 0.2° |
| O17 | C46 | O16 | H8 | 119.6° | 120.1° |
| O17 | C46 | O16 | C45 | 88.6° | 65.0° |
| C46 | O17 | C50 | H9 | 59.5° | 58.8° |
| O17 | C46 | C47 | H27 | 58.8° | 177.5° |
| O17 | C46 | C47 | H28 | 178.5° | 62.3° |
| C46 | O16 | C45 | C44 | 30.8° | 0.0° |
| C46 | O16 | C45 | C58 | 150.2° | 180.0° |
| O16 | C46 | C47 | H27 | 61.4° | 62.6° |
| O16 | C46 | C47 | H28 | 58.4° | 57.7° |
| C20 | C19 | C41 | C42 | 179.2° | 179.7° |
| C20 | C19 | C41 | O15 | 0.7° | 0.2° |
| C19 | C20 | C21 | H33 | 106.5° | 162.4° |
| O14 | C20 | C19 | C41 | 4.5° | 11.8° |
| O14 | C20 | C21 | H33 | 76.2° | 17.6° |
| C19 | C41 | C42 | C43 | 0.6° | 0.2° |
| C19 | C41 | C42 | O15 | 179.9° | 179.9° |
| C19 | C41 | C42 | C60 | 179.9° | 179.8° |
| C19 | C41 | O15 | H3 | 1.2° | 90.0° |
| C43 | C44 | C45 | H29 | 180.0° | 180.0° |
| C44 | C43 | C42 | C41 | 180.0° | 179.8° |
| C44 | C43 | C42 | C60 | 0.6° | 0.2° |
| C43 | C44 | C45 | O16 | 180.0° | 180.0° |
| C43 | C44 | C45 | C58 | 0.9° | 0.0° |
| C44 | C43 | C18 | H30 | 0.2° | 0.0° |
| C42 | C43 | C44 | C45 | 1.0° | 0.1° |
| C43 | C42 | C41 | C60 | 179.4° | 180.0° |
| C43 | C42 | C41 | O15 | 179.2° | 179.7° |
| C43 | C42 | C60 | C58 | 0.1° | 0.2° |
| C43 | C42 | C60 | O23 | 179.6° | 179.9° |
| C42 | C43 | C44 | H29 | 179.0° | 179.9° |
| C42 | C43 | C18 | H30 | 179.6° | 179.9° |
| C44 | C45 | O16 | C58 | 179.0° | 180.0° |
| C44 | C45 | C58 | C60 | 0.4° | 0.1° |
| C44 | C45 | C58 | C59 | 179.9° | 179.9° |
| C41 | C42 | C60 | C58 | 179.5° | 179.8° |
| C41 | C42 | C60 | O23 | 0.2° | 0.1° |
| C42 | C41 | O15 | H3 | 178.9° | 89.9° |
| O15 | C41 | C42 | C60 | 0.2° | 0.3° |
| C42 | C60 | C58 | C45 | 0.0° | 0.0° |
| C42 | C60 | C58 | O23 | 179.7° | 180.0° |
| C42 | C60 | C58 | C59 | 179.7° | 180.0° |
| C42 | C60 | O23 | H4 | 180.0° | 89.9° |
| O16 | C45 | C58 | C60 | 179.5° | 179.9° |
| O16 | C45 | C58 | C59 | 0.9° | 0.1° |
| C45 | O16 | C46 | H8 | 31.0° | 55.0° |
| O16 | C45 | C44 | H29 | 0.0° | 0.1° |
| C45 | C58 | C60 | C59 | 179.7° | 180.0° |
| C45 | C58 | C60 | O23 | 179.7° | 180.0° |
| C45 | C58 | C59 | H5 | 89.8° | 90.0° |
| C45 | C58 | C59 | H6 | 150.2° | 30.0° |
| C45 | C58 | C59 | H7 | 30.2° | 150.0° |
| C58 | C45 | C44 | H29 | 179.1° | 180.0° |
| C58 | C60 | O23 | H4 | 0.3° | 90.0° |
| C60 | C58 | C59 | H5 | 89.8° | 90.0° |
| C60 | C58 | C59 | H6 | 30.2° | 150.0° |
| C60 | C58 | C59 | H7 | 150.1° | 30.0° |
| O23 | C60 | C58 | C59 | 0.0° | 0.0° |
| C58 | C59 | H5 | H6 | 120.0° | 120.0° |
| C58 | C59 | H5 | H7 | 120.0° | 120.0° |
| C58 | C59 | H6 | H7 | 120.0° | 120.0° |
| H1 | C | C16 | H31 | 173.7° | 64.9° |
| H1 | C | C16 | H32 | 54.3° | 54.3° |
| H1 | C | C21 | H33 | 164.3° | 56.3° |
| H1 | C | C1 | H34 | 63.3° | 59.9° |
| H2 | N | C3 | H38 | 129.2° | 145.0° |
| H5 | C59 | H6 | H7 | 120.0° | 119.9° |
| H8 | C46 | C47 | H27 | 177.4° | 57.5° |
| H8 | C46 | C47 | H28 | 62.8° | 177.7° |
| H9 | C50 | C51 | H10 | 61.0° | 60.0° |
| H9 | C50 | C51 | H11 | 59.0° | 59.9° |
| H9 | C50 | C51 | H12 | 179.0° | 179.9° |
| H9 | C50 | C49 | H13 | 169.7° | 177.7° |
| H10 | C51 | H11 | H12 | 120.0° | 120.0° |
| H13 | C49 | O18 | H14 | 62.6° | 60.2° |
| H13 | C49 | C48 | H15 | 169.4° | 177.3° |
| H15 | C48 | C47 | H27 | 174.8° | 57.0° |
| H15 | C48 | C47 | H28 | 55.0° | 177.2° |
| H16 | C52 | C53 | H25 | 177.1° | 57.5° |
| H16 | C52 | C53 | H26 | 62.5° | 177.7° |
| H17 | C56 | C57 | H18 | 62.5° | 180.0° |
| H17 | C56 | C57 | H19 | 57.5° | 60.0° |
| H17 | C56 | C57 | H20 | 177.5° | 60.0° |
| H17 | C56 | C55 | H21 | 174.7° | 177.8° |
| H18 | C57 | H19 | H20 | 120.0° | 120.0° |
| H21 | C55 | O21 | H22 | 60.4° | 60.1° |
| H21 | C55 | C54 | H23 | 176.3° | 177.2° |
| H23 | C54 | O22 | H24 | 61.7° | 59.8° |
| H23 | C54 | C53 | H25 | 178.9° | 56.9° |
| H23 | C54 | C53 | H26 | 58.5° | 177.2° |
| H35 | C15 | H36 | H37 | 120.0° | 119.9° |
| H38 | C3 | C4 | H42 | 142.1° | 175.0° |
| H38 | C3 | C4 | H43 | 100.4° | 65.0° |
| H39 | C14 | H40 | H41 | 120.0° | 120.0° |
| H44 | C10 | C9 | H45 | 0.6° | 0.0° |
| H45 | C9 | C8 | H46 | 0.2° | 0.0° |
| H46 | C8 | C7 | H47 | 0.0° | 0.0° |
| H47 | C7 | C6 | H48 | 0.0° | 0.0° |
| H49 | C22 | C23 | H57 | 160.5° | 57.6° |
| H49 | C22 | C23 | H58 | 41.8° | 177.8° |
| H50 | C26 | C27 | H51 | 58.1° | 60.0° |
| H50 | C26 | C27 | H52 | 61.9° | 60.0° |
| H50 | C26 | C27 | H53 | 178.1° | 179.9° |
| H50 | C26 | C25 | H54 | 168.1° | 177.7° |
| H51 | C27 | H52 | H53 | 120.0° | 120.0° |
| H54 | C25 | O6 | H55 | 59.8° | 59.9° |
| H54 | C25 | C24 | H56 | 175.7° | 177.2° |
| H56 | C24 | C23 | H57 | 160.6° | 57.0° |
| H56 | C24 | C23 | H58 | 41.8° | 177.2° |
| H59 | C28 | C29 | H67 | 160.8° | 57.5° |
| H59 | C28 | C29 | H68 | 42.6° | 177.7° |
| H60 | C32 | C33 | H61 | 58.7° | 60.0° |
| H60 | C32 | C33 | H62 | 61.3° | 60.0° |
| H60 | C32 | C33 | H63 | 178.7° | 180.0° |
| H60 | C32 | C31 | H64 | 59.7° | 57.6° |
| H61 | C33 | H62 | H63 | 120.0° | 120.1° |
| H64 | C31 | O9 | H65 | 61.5° | 60.1° |
| H64 | C31 | C30 | H66 | 40.1° | 57.0° |
| H66 | C30 | C29 | H67 | 151.7° | 57.0° |
| H66 | C30 | C29 | H68 | 33.4° | 177.2° |
| H69 | C34 | C35 | H80 | 169.3° | 57.5° |
| H69 | C34 | C35 | H81 | 49.8° | 177.7° |
| H70 | C38 | C39 | H71 | 59.7° | 60.0° |
| H70 | C38 | C39 | H72 | 60.3° | 60.0° |
| H70 | C38 | C39 | H73 | 179.7° | 179.9° |
| H70 | C38 | C37 | H74 | 179.8° | 177.7° |
| H71 | C39 | H72 | H73 | 120.0° | 120.0° |
| H74 | C37 | O13 | H75 | 60.2° | 60.1° |
| H76 | C40 | H77 | H78 | 120.0° | 120.0° |
