A1BNI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C31 | sing | 1.43Å | 1.43Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| O6 | C25 | sing | 1.43Å | 1.43Å | |
| C32 | O8 | sing | 1.43Å | 1.43Å | |
| O8 | C28 | sing | 1.43Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| O10 | C30 | sing | 1.43Å | 1.43Å | |
| O10 | C34 | sing | 1.43Å | 1.43Å | |
| C14 | O | sing | 1.45Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C40 | C36 | sing | 1.53Å | 1.53Å | |
| C28 | O7 | sing | 1.43Å | 1.44Å | |
| C26 | O5 | sing | 1.43Å | 1.43Å | |
| C15 | O3 | sing | 1.43Å | 1.43Å | |
| O7 | C24 | sing | 1.43Å | 1.44Å | |
| C34 | O12 | sing | 1.43Å | 1.43Å | |
| O | C13 | sing | 1.34Å | 1.46Å | |
| O12 | C38 | sing | 1.43Å | 1.43Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | O11 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| O5 | C22 | sing | 1.43Å | 1.43Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | O13 | sing | 1.43Å | 1.43Å | |
| O3 | C1 | sing | 1.43Å | 1.43Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C13 | O1 | doub | 1.21Å | 1.22Å | |
| C13 | C3 | sing | 1.51Å | 1.51Å | |
| C22 | O4 | sing | 1.43Å | 1.44Å | |
| O2 | C2 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C | sing | 1.53Å | 1.55Å | |
| C2 | N | sing | 1.35Å | 1.33Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| N | C3 | sing | 1.47Å | 1.47Å | |
| O4 | C21 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | doub | 1.34Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.37Å | 1.35Å | Aromatic |
| C21 | C | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C5 | C8 | sing | 1.46Å | 1.40Å | Aromatic |
| C | C16 | sing | 1.53Å | 1.53Å | |
| N1 | C7 | sing | 1.38Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C20 | O14 | doub | 1.21Å | 1.22Å | |
| C20 | C19 | sing | 1.47Å | 1.51Å | |
| C8 | C7 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.40Å | Aromatic |
| C17 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.36Å | 1.40Å | Aromatic |
| C19 | C41 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C43 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C61 | sing | 1.51Å | 1.51Å | |
| C41 | O15 | sing | 1.35Å | 1.37Å | |
| C41 | C42 | doub | 1.41Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.42Å | 1.40Å | Aromatic |
| C43 | C44 | sing | 1.40Å | 1.40Å | Aromatic |
| C42 | C60 | sing | 1.41Å | 1.40Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| C60 | O23 | sing | 1.36Å | 1.36Å | |
| C60 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C58 | sing | 1.40Å | 1.39Å | Aromatic |
| C45 | O16 | sing | 1.36Å | 1.38Å | |
| C58 | C59 | sing | 1.51Å | 1.51Å | |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| O17 | C50 | sing | 1.43Å | 1.43Å | |
| O17 | C46 | sing | 1.43Å | 1.43Å | |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| O16 | C46 | sing | 1.43Å | 1.43Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C49 | O18 | sing | 1.43Å | 1.43Å | |
| C49 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C48 | O19 | sing | 1.43Å | 1.44Å | |
| C57 | C56 | sing | 1.53Å | 1.52Å | |
| O19 | C52 | sing | 1.43Å | 1.43Å | |
| O20 | C56 | sing | 1.43Å | 1.43Å | |
| O20 | C52 | sing | 1.43Å | 1.43Å | |
| C56 | C55 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C55 | O21 | sing | 1.43Å | 1.43Å | |
| C55 | C54 | sing | 1.53Å | 1.53Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C54 | O22 | sing | 1.43Å | 1.43Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C61 | H22 | sing | 1.09Å | 1.10Å | |
| C61 | H23 | sing | 1.09Å | 1.10Å | |
| C61 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| O11 | H37 | sing | 0.97Å | 0.95Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| O13 | H42 | sing | 0.97Å | 0.95Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| O9 | H48 | sing | 0.97Å | 0.95Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C25 | H53 | sing | 1.09Å | 1.10Å | |
| C26 | H54 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H56 | sing | 1.09Å | 1.10Å | |
| C27 | H57 | sing | 1.09Å | 1.10Å | |
| O15 | H58 | sing | 0.97Å | 0.95Å | |
| C44 | H59 | sing | 1.08Å | 1.08Å | |
| C59 | H60 | sing | 1.09Å | 1.10Å | |
| C59 | H61 | sing | 1.09Å | 1.10Å | |
| C59 | H62 | sing | 1.09Å | 1.10Å | |
| O23 | H63 | sing | 0.97Å | 0.95Å | |
| C46 | H64 | sing | 1.09Å | 1.10Å | |
| C47 | H65 | sing | 1.09Å | 1.10Å | |
| C47 | H66 | sing | 1.09Å | 1.10Å | |
| C48 | H67 | sing | 1.09Å | 1.10Å | |
| C49 | H68 | sing | 1.09Å | 1.10Å | |
| O18 | H69 | sing | 0.97Å | 0.95Å | |
| C50 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | H71 | sing | 1.09Å | 1.10Å | |
| C51 | H72 | sing | 1.09Å | 1.10Å | |
| C51 | H73 | sing | 1.09Å | 1.10Å | |
| C52 | H74 | sing | 1.09Å | 1.10Å | |
| C53 | H75 | sing | 1.09Å | 1.10Å | |
| C53 | H76 | sing | 1.09Å | 1.10Å | |
| C54 | H77 | sing | 1.09Å | 1.10Å | |
| O22 | H78 | sing | 0.97Å | 0.95Å | |
| C55 | H79 | sing | 1.09Å | 1.10Å | |
| O21 | H80 | sing | 0.97Å | 0.95Å | |
| C56 | H81 | sing | 1.09Å | 1.10Å | |
| C57 | H82 | sing | 1.09Å | 1.10Å | |
| C57 | H83 | sing | 1.09Å | 1.10Å | |
| C57 | H84 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C31 | C32 | 109.7° | 109.5° |
| O9 | C31 | C30 | 109.0° | 109.5° |
| O9 | C31 | H47 | 109.9° | 109.6° |
| C31 | O9 | H48 | 109.5° | 114.0° |
| C33 | C32 | C31 | 112.1° | 109.5° |
| C33 | C32 | O8 | 110.7° | 109.5° |
| C33 | C32 | H49 | 107.9° | 109.5° |
| C32 | C33 | H50 | 109.5° | 109.5° |
| C32 | C33 | H51 | 109.5° | 109.4° |
| C32 | C33 | H52 | 109.5° | 109.5° |
| C32 | C31 | C30 | 110.9° | 109.1° |
| C31 | C32 | O8 | 108.9° | 109.4° |
| C32 | C31 | H47 | 108.7° | 109.5° |
| C31 | C32 | H49 | 108.0° | 109.5° |
| C31 | C30 | O10 | 108.1° | 109.6° |
| C31 | C30 | C29 | 111.1° | 109.0° |
| C31 | C30 | H33 | 108.5° | 109.5° |
| C30 | C31 | H47 | 108.6° | 109.5° |
| O6 | C25 | C26 | 111.2° | 109.5° |
| O6 | C25 | C24 | 110.5° | 109.5° |
| C25 | O6 | H9 | 109.5° | 114.1° |
| O6 | C25 | H53 | 109.3° | 109.5° |
| C32 | O8 | C28 | 111.7° | 114.1° |
| O8 | C32 | H49 | 109.2° | 109.5° |
| O8 | C28 | C29 | 107.5° | 109.4° |
| O8 | C28 | O7 | 110.8° | 109.5° |
| O8 | C28 | H30 | 109.4° | 109.5° |
| C27 | C26 | C25 | 113.5° | 109.5° |
| C27 | C26 | O5 | 109.0° | 109.5° |
| C27 | C26 | H54 | 108.2° | 109.5° |
| C26 | C27 | H55 | 109.5° | 109.5° |
| C26 | C27 | H56 | 109.4° | 109.5° |
| C26 | C27 | H57 | 109.5° | 109.5° |
| C30 | O10 | C34 | 115.3° | 114.0° |
| O10 | C30 | C29 | 111.1° | 109.5° |
| O10 | C30 | H33 | 109.7° | 109.6° |
| O10 | C34 | C35 | 108.4° | 109.5° |
| O10 | C34 | O12 | 109.6° | 109.4° |
| O10 | C34 | H34 | 109.7° | 109.5° |
| C14 | O | C13 | 121.4° | 117.0° |
| O | C14 | H17 | 109.5° | 109.5° |
| O | C14 | H18 | 109.5° | 109.4° |
| O | C14 | H19 | 109.5° | 109.5° |
| C26 | C25 | C24 | 109.8° | 109.2° |
| C25 | C26 | O5 | 108.4° | 109.4° |
| C26 | C25 | H53 | 108.0° | 109.5° |
| C25 | C26 | H54 | 108.2° | 109.5° |
| C25 | C24 | O7 | 110.4° | 109.6° |
| C25 | C24 | C23 | 109.7° | 109.0° |
| C25 | C24 | H29 | 108.5° | 109.5° |
| C24 | C25 | H53 | 108.0° | 109.5° |
| C30 | C29 | C28 | 111.9° | 109.1° |
| C30 | C29 | H31 | 108.8° | 109.4° |
| C30 | C29 | H32 | 108.8° | 109.6° |
| C29 | C30 | H33 | 108.4° | 109.6° |
| C34 | C35 | C36 | 113.7° | 109.1° |
| C35 | C34 | O12 | 110.9° | 109.4° |
| C35 | C34 | H34 | 108.4° | 109.5° |
| C34 | C35 | H35 | 108.4° | 109.5° |
| C34 | C35 | H36 | 108.4° | 109.5° |
| C35 | C36 | C40 | 110.5° | 109.5° |
| C35 | C36 | C37 | 109.3° | 109.0° |
| C35 | C36 | O11 | 109.0° | 109.5° |
| C36 | C35 | H35 | 108.4° | 109.5° |
| C36 | C35 | H36 | 108.4° | 109.5° |
| C29 | C28 | O7 | 111.7° | 109.5° |
| C29 | C28 | H30 | 108.1° | 109.5° |
| C28 | C29 | H31 | 108.9° | 109.5° |
| C28 | C29 | H32 | 108.9° | 109.6° |
| C40 | C36 | C37 | 111.3° | 109.6° |
| C40 | C36 | O11 | 108.1° | 109.6° |
| C36 | C40 | H38 | 109.5° | 109.5° |
| C36 | C40 | H39 | 109.5° | 109.4° |
| C36 | C40 | H40 | 109.5° | 109.5° |
| C28 | O7 | C24 | 116.4° | 114.0° |
| O7 | C28 | H30 | 109.3° | 109.5° |
| C26 | O5 | C22 | 112.3° | 114.1° |
| O5 | C26 | H54 | 109.5° | 109.4° |
| C15 | O3 | C1 | 113.6° | 114.0° |
| O3 | C15 | H14 | 109.5° | 109.5° |
| O3 | C15 | H15 | 109.5° | 109.5° |
| O3 | C15 | H16 | 109.5° | 109.5° |
| O7 | C24 | C23 | 110.0° | 109.5° |
| O7 | C24 | H29 | 109.6° | 109.5° |
| C34 | O12 | C38 | 113.3° | 114.1° |
| O12 | C34 | H34 | 109.7° | 109.5° |
| O | C13 | O1 | 119.3° | 120.0° |
| O | C13 | C3 | 119.9° | 120.0° |
| O12 | C38 | C37 | 108.6° | 109.4° |
| O12 | C38 | C39 | 110.2° | 109.5° |
| O12 | C38 | H43 | 109.6° | 109.5° |
| C37 | C36 | O11 | 108.6° | 109.6° |
| C36 | C37 | C38 | 109.8° | 109.2° |
| C36 | C37 | O13 | 110.4° | 109.5° |
| C36 | C37 | H41 | 108.3° | 109.5° |
| C36 | O11 | H37 | 109.5° | 114.0° |
| C24 | C23 | C22 | 113.8° | 109.1° |
| C24 | C23 | H27 | 108.4° | 109.5° |
| C24 | C23 | H28 | 108.4° | 109.5° |
| C23 | C24 | H29 | 108.4° | 109.6° |
| O5 | C22 | C23 | 110.0° | 109.4° |
| O5 | C22 | O4 | 109.4° | 109.5° |
| O5 | C22 | H26 | 109.6° | 109.5° |
| C38 | C37 | O13 | 110.6° | 109.5° |
| C37 | C38 | C39 | 111.8° | 109.5° |
| C38 | C37 | H41 | 108.2° | 109.5° |
| C37 | C38 | H43 | 108.3° | 109.5° |
| O13 | C37 | H41 | 109.4° | 109.6° |
| C37 | O13 | H42 | 109.5° | 114.0° |
| O3 | C1 | C2 | 106.1° | 109.5° |
| O3 | C1 | C | 112.3° | 109.5° |
| O3 | C1 | H6 | 108.6° | 109.5° |
| C39 | C38 | H43 | 108.3° | 109.5° |
| C38 | C39 | H44 | 109.5° | 109.5° |
| C38 | C39 | H45 | 109.5° | 109.4° |
| C38 | C39 | H46 | 109.5° | 109.5° |
| C23 | C22 | O4 | 110.3° | 109.5° |
| C23 | C22 | H26 | 108.1° | 109.5° |
| C22 | C23 | H27 | 108.4° | 109.5° |
| C22 | C23 | H28 | 108.4° | 109.6° |
| O1 | C13 | C3 | 120.8° | 120.0° |
| C13 | C3 | C4 | 106.0° | 109.5° |
| C13 | C3 | N | 106.7° | 109.5° |
| C13 | C3 | H3 | 109.1° | 109.5° |
| C22 | O4 | C21 | 116.7° | 114.0° |
| O4 | C22 | H26 | 109.4° | 109.5° |
| O2 | C2 | C1 | 119.1° | 120.0° |
| O2 | C2 | N | 125.7° | 120.0° |
| C2 | C1 | C | 114.8° | 109.5° |
| C1 | C2 | N | 115.2° | 120.0° |
| C2 | C1 | H6 | 107.7° | 109.5° |
| C1 | C | C21 | 112.1° | 109.5° |
| C1 | C | C16 | 114.0° | 109.5° |
| C | C1 | H6 | 107.2° | 109.5° |
| C1 | C | H11 | 106.1° | 109.5° |
| C2 | N | C3 | 131.0° | 120.0° |
| C2 | N | H20 | 114.5° | 120.0° |
| C3 | C4 | C5 | 118.5° | 109.5° |
| C4 | C3 | N | 116.5° | 109.4° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C3 | C4 | H4 | 107.2° | 109.5° |
| C3 | C4 | H5 | 107.2° | 109.4° |
| C4 | C5 | C6 | 122.6° | 126.5° |
| C4 | C5 | C8 | 131.3° | 126.5° |
| C5 | C4 | H4 | 107.2° | 109.5° |
| C5 | C4 | H5 | 107.2° | 109.5° |
| N | C3 | H3 | 109.6° | 109.4° |
| C3 | N | H20 | 114.5° | 120.0° |
| O4 | C21 | C | 108.4° | 109.9° |
| O4 | C21 | C20 | 111.3° | 109.9° |
| O4 | C21 | H25 | 110.0° | 109.9° |
| C5 | C6 | N1 | 109.2° | 109.9° |
| C6 | C5 | C8 | 106.0° | 107.0° |
| C5 | C6 | H2 | 125.4° | 125.1° |
| C6 | N1 | C7 | 109.1° | 109.8° |
| N1 | C6 | H2 | 125.4° | 125.0° |
| C6 | N1 | H8 | 125.5° | 125.0° |
| C | C21 | C20 | 109.4° | 107.4° |
| C21 | C | C16 | 111.4° | 109.4° |
| C21 | C | H11 | 106.3° | 109.5° |
| C | C21 | H25 | 108.7° | 109.8° |
| C21 | C20 | O14 | 119.3° | 121.1° |
| C21 | C20 | C19 | 121.0° | 117.8° |
| C20 | C21 | H25 | 109.0° | 110.0° |
| C5 | C8 | C7 | 107.6° | 106.1° |
| C5 | C8 | C9 | 131.9° | 134.0° |
| C | C16 | C17 | 112.8° | 111.2° |
| C16 | C | H11 | 106.3° | 109.5° |
| C | C16 | H12 | 108.6° | 109.1° |
| C | C16 | H13 | 108.6° | 109.1° |
| N1 | C7 | C8 | 108.1° | 107.2° |
| N1 | C7 | C12 | 131.9° | 133.5° |
| C7 | N1 | H8 | 125.5° | 125.1° |
| C16 | C17 | C19 | 121.7° | 121.3° |
| C16 | C17 | C18 | 118.3° | 118.6° |
| C17 | C16 | H12 | 108.6° | 109.1° |
| C17 | C16 | H13 | 108.6° | 109.1° |
| O14 | C20 | C19 | 119.7° | 121.1° |
| C20 | C19 | C17 | 118.6° | 120.1° |
| C20 | C19 | C41 | 122.3° | 119.3° |
| C7 | C8 | C9 | 120.5° | 119.9° |
| C8 | C7 | C12 | 119.9° | 119.4° |
| C8 | C9 | C10 | 119.4° | 119.8° |
| C8 | C9 | H7 | 120.3° | 120.1° |
| C7 | C12 | C11 | 119.9° | 119.7° |
| C7 | C12 | H21 | 120.0° | 120.1° |
| C9 | C10 | C11 | 120.0° | 120.5° |
| C9 | C10 | C61 | 120.2° | 119.8° |
| C10 | C9 | H7 | 120.3° | 120.1° |
| C19 | C17 | C18 | 120.0° | 120.1° |
| C17 | C19 | C41 | 119.1° | 120.7° |
| C17 | C18 | C43 | 120.8° | 120.7° |
| C17 | C18 | H10 | 119.6° | 119.6° |
| C19 | C41 | O15 | 120.9° | 120.3° |
| C19 | C41 | C42 | 120.9° | 119.4° |
| C12 | C11 | C10 | 120.2° | 120.7° |
| C12 | C11 | H1 | 119.9° | 119.7° |
| C11 | C12 | H21 | 120.1° | 120.1° |
| C18 | C43 | C42 | 119.8° | 119.8° |
| C18 | C43 | C44 | 120.1° | 120.8° |
| C43 | C18 | H10 | 119.6° | 119.7° |
| C11 | C10 | C61 | 119.7° | 119.8° |
| C10 | C11 | H1 | 119.9° | 119.6° |
| C10 | C61 | H22 | 109.5° | 109.4° |
| C10 | C61 | H23 | 109.4° | 109.4° |
| C10 | C61 | H24 | 109.5° | 109.4° |
| O15 | C41 | C42 | 118.2° | 120.3° |
| C41 | O15 | H58 | 109.5° | 114.0° |
| C41 | C42 | C43 | 119.4° | 119.3° |
| C41 | C42 | C60 | 121.6° | 121.0° |
| C42 | C43 | C44 | 120.2° | 119.4° |
| C43 | C42 | C60 | 119.0° | 119.6° |
| C43 | C44 | C45 | 120.5° | 119.9° |
| C43 | C44 | H59 | 119.7° | 120.0° |
| C42 | C60 | O23 | 120.3° | 120.2° |
| C42 | C60 | C58 | 120.8° | 119.7° |
| C44 | C45 | C58 | 119.3° | 120.8° |
| C44 | C45 | O16 | 121.6° | 119.6° |
| C45 | C44 | H59 | 119.7° | 120.1° |
| O23 | C60 | C58 | 118.9° | 120.2° |
| C60 | O23 | H63 | 109.5° | 114.0° |
| C60 | C58 | C45 | 120.2° | 120.6° |
| C60 | C58 | C59 | 120.6° | 119.7° |
| C58 | C45 | O16 | 119.1° | 119.6° |
| C45 | C58 | C59 | 119.2° | 119.7° |
| C45 | O16 | C46 | 123.5° | 117.0° |
| C58 | C59 | H60 | 109.5° | 109.5° |
| C58 | C59 | H61 | 109.5° | 109.5° |
| C58 | C59 | H62 | 109.5° | 109.5° |
| C51 | C50 | O17 | 109.3° | 109.5° |
| C51 | C50 | C49 | 109.2° | 109.5° |
| C51 | C50 | H70 | 108.6° | 109.4° |
| C50 | C51 | H71 | 109.5° | 109.4° |
| C50 | C51 | H72 | 109.5° | 109.5° |
| C50 | C51 | H73 | 109.5° | 109.5° |
| C50 | O17 | C46 | 113.4° | 114.1° |
| O17 | C50 | C49 | 111.2° | 109.4° |
| O17 | C50 | H70 | 109.9° | 109.5° |
| O17 | C46 | O16 | 109.3° | 109.5° |
| O17 | C46 | C47 | 108.8° | 109.4° |
| O17 | C46 | H64 | 110.1° | 109.5° |
| C50 | C49 | O18 | 109.9° | 109.6° |
| C50 | C49 | C48 | 112.6° | 109.1° |
| C50 | C49 | H68 | 108.2° | 109.5° |
| C49 | C50 | H70 | 108.6° | 109.5° |
| O16 | C46 | C47 | 109.9° | 109.5° |
| O16 | C46 | H64 | 110.0° | 109.4° |
| C46 | C47 | C48 | 112.0° | 109.1° |
| C47 | C46 | H64 | 108.7° | 109.6° |
| C46 | C47 | H65 | 108.8° | 109.5° |
| C46 | C47 | H66 | 108.9° | 109.6° |
| O18 | C49 | C48 | 108.4° | 109.5° |
| O18 | C49 | H68 | 109.5° | 109.6° |
| C49 | O18 | H69 | 109.5° | 114.0° |
| C49 | C48 | C47 | 111.5° | 109.0° |
| C49 | C48 | O19 | 106.9° | 109.6° |
| C49 | C48 | H67 | 108.6° | 109.6° |
| C48 | C49 | H68 | 108.3° | 109.5° |
| C47 | C48 | O19 | 111.4° | 109.5° |
| C48 | C47 | H65 | 108.9° | 109.5° |
| C48 | C47 | H66 | 108.9° | 109.5° |
| C47 | C48 | H67 | 108.6° | 109.5° |
| C48 | O19 | C52 | 112.7° | 114.0° |
| O19 | C48 | H67 | 109.8° | 109.6° |
| C57 | C56 | O20 | 109.3° | 109.5° |
| C57 | C56 | C55 | 111.9° | 109.5° |
| C57 | C56 | H81 | 108.3° | 109.5° |
| C56 | C57 | H82 | 109.5° | 109.5° |
| C56 | C57 | H83 | 109.5° | 109.5° |
| C56 | C57 | H84 | 109.5° | 109.5° |
| O19 | C52 | O20 | 109.4° | 109.5° |
| O19 | C52 | C53 | 111.6° | 109.5° |
| O19 | C52 | H74 | 109.3° | 109.4° |
| C56 | O20 | C52 | 112.0° | 114.1° |
| O20 | C56 | C55 | 109.4° | 109.4° |
| O20 | C56 | H81 | 109.6° | 109.5° |
| O20 | C52 | C53 | 109.1° | 109.4° |
| O20 | C52 | H74 | 109.4° | 109.4° |
| C56 | C55 | O21 | 109.6° | 109.5° |
| C56 | C55 | C54 | 111.3° | 109.1° |
| C56 | C55 | H79 | 108.4° | 109.6° |
| C55 | C56 | H81 | 108.3° | 109.5° |
| C52 | C53 | C54 | 109.9° | 109.2° |
| C53 | C52 | H74 | 108.1° | 109.5° |
| C52 | C53 | H75 | 109.4° | 109.5° |
| C52 | C53 | H76 | 109.4° | 109.5° |
| O21 | C55 | C54 | 109.4° | 109.6° |
| O21 | C55 | H79 | 109.7° | 109.5° |
| C55 | O21 | H80 | 109.5° | 114.0° |
| C55 | C54 | C53 | 111.7° | 109.1° |
| C55 | C54 | O22 | 108.2° | 109.6° |
| C55 | C54 | H77 | 108.3° | 109.6° |
| C54 | C55 | H79 | 108.4° | 109.5° |
| C53 | C54 | O22 | 110.7° | 109.5° |
| C54 | C53 | H75 | 109.4° | 109.6° |
| C54 | C53 | H76 | 109.4° | 109.5° |
| C53 | C54 | H77 | 108.3° | 109.5° |
| O22 | C54 | H77 | 109.6° | 109.6° |
| C54 | O22 | H78 | 109.5° | 114.0° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.0° |
| H14 | C15 | H15 | 109.4° | 109.5° |
| H14 | C15 | H16 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H17 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.4° | 109.4° |
| H22 | C61 | H23 | 109.4° | 109.5° |
| H22 | C61 | H24 | 109.5° | 109.5° |
| H23 | C61 | H24 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.6° |
| H31 | C29 | H32 | 109.5° | 109.6° |
| H35 | C35 | H36 | 109.5° | 109.6° |
| H38 | C40 | H39 | 109.4° | 109.4° |
| H38 | C40 | H40 | 109.5° | 109.5° |
| H39 | C40 | H40 | 109.5° | 109.5° |
| H44 | C39 | H45 | 109.5° | 109.5° |
| H44 | C39 | H46 | 109.5° | 109.5° |
| H45 | C39 | H46 | 109.5° | 109.5° |
| H50 | C33 | H51 | 109.4° | 109.5° |
| H50 | C33 | H52 | 109.5° | 109.5° |
| H51 | C33 | H52 | 109.5° | 109.5° |
| H55 | C27 | H56 | 109.5° | 109.5° |
| H55 | C27 | H57 | 109.5° | 109.4° |
| H56 | C27 | H57 | 109.5° | 109.5° |
| H60 | C59 | H61 | 109.4° | 109.4° |
| H60 | C59 | H62 | 109.4° | 109.4° |
| H61 | C59 | H62 | 109.5° | 109.5° |
| H65 | C47 | H66 | 109.4° | 109.6° |
| H71 | C51 | H72 | 109.5° | 109.4° |
| H71 | C51 | H73 | 109.5° | 109.5° |
| H72 | C51 | H73 | 109.4° | 109.5° |
| H75 | C53 | H76 | 109.5° | 109.6° |
| H82 | C57 | H83 | 109.5° | 109.5° |
| H82 | C57 | H84 | 109.5° | 109.5° |
| H83 | C57 | H84 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C31 | C32 | C33 | 58.7° | 57.7° |
| O9 | C31 | C32 | C30 | 120.5° | 119.9° |
| O9 | C31 | C32 | H47 | 120.2° | 120.2° |
| O9 | C31 | C30 | H47 | 119.7° | 120.3° |
| O9 | C31 | C32 | O8 | 64.1° | 62.3° |
| O9 | C31 | C30 | O10 | 49.0° | 57.0° |
| O9 | C31 | C30 | C29 | 73.1° | 62.8° |
| O9 | C31 | C30 | H33 | 167.9° | 177.2° |
| O9 | C31 | C32 | H49 | 177.5° | 177.8° |
| C33 | C32 | C31 | O8 | 122.8° | 120.0° |
| C33 | C32 | C31 | H49 | 118.8° | 120.1° |
| C33 | C32 | C31 | C30 | 179.2° | 177.6° |
| C33 | C32 | O8 | H49 | 118.7° | 120.1° |
| C33 | C32 | O8 | C28 | 168.7° | 178.9° |
| C33 | C32 | C31 | H47 | 61.5° | 62.6° |
| C32 | C33 | H50 | H51 | 120.0° | 120.0° |
| C32 | C33 | H50 | H52 | 120.0° | 120.0° |
| C32 | C33 | H51 | H52 | 120.0° | 120.0° |
| C32 | C31 | C30 | H47 | 119.4° | 119.8° |
| C31 | C32 | O8 | H49 | 117.7° | 120.0° |
| C31 | C32 | O8 | C28 | 67.7° | 61.2° |
| C32 | C31 | C30 | O10 | 169.9° | 176.9° |
| C32 | C31 | C30 | C29 | 47.8° | 57.0° |
| C32 | C31 | C30 | H33 | 71.2° | 62.9° |
| C32 | C31 | O9 | H48 | 180.0° | 60.0° |
| C31 | C32 | C33 | H50 | 180.0° | 59.9° |
| C31 | C32 | C33 | H51 | 60.0° | 180.0° |
| C31 | C32 | C33 | H52 | 60.0° | 60.0° |
| C30 | C31 | C32 | O8 | 56.4° | 57.6° |
| C31 | C30 | O10 | C29 | 122.1° | 119.6° |
| C31 | C30 | O10 | H33 | 118.1° | 120.2° |
| C31 | C30 | O10 | C34 | 145.1° | 150.4° |
| C31 | C30 | C29 | H33 | 119.1° | 119.9° |
| C31 | C30 | C29 | C28 | 48.2° | 57.0° |
| C31 | C30 | C29 | H31 | 72.2° | 176.9° |
| C31 | C30 | C29 | H32 | 168.6° | 62.9° |
| C30 | C31 | O9 | H48 | 58.3° | 179.7° |
| C30 | C31 | C32 | H49 | 62.0° | 62.4° |
| O6 | C25 | C26 | C27 | 53.9° | 62.5° |
| O6 | C25 | C26 | C24 | 122.6° | 120.0° |
| O6 | C25 | C26 | H53 | 119.8° | 120.2° |
| O6 | C25 | C24 | H53 | 119.5° | 120.1° |
| O6 | C25 | C26 | O5 | 175.1° | 177.5° |
| O6 | C25 | C24 | O7 | 63.5° | 63.1° |
| O6 | C25 | C24 | C23 | 175.0° | 176.9° |
| O6 | C25 | C24 | H29 | 56.7° | 57.1° |
| O6 | C25 | C26 | H54 | 66.2° | 57.6° |
| C32 | O8 | C28 | C29 | 66.6° | 61.2° |
| C32 | O8 | C28 | O7 | 171.1° | 178.8° |
| C32 | O8 | C28 | H30 | 50.5° | 58.8° |
| O8 | C32 | C31 | H47 | 175.7° | 177.5° |
| O8 | C32 | C33 | H50 | 58.3° | 59.9° |
| O8 | C32 | C33 | H51 | 178.3° | 60.1° |
| O8 | C32 | C33 | H52 | 61.8° | 179.9° |
| O8 | C28 | C29 | C30 | 55.9° | 57.6° |
| O8 | C28 | C29 | O7 | 121.7° | 120.0° |
| O8 | C28 | C29 | H30 | 118.0° | 120.0° |
| O8 | C28 | O7 | H30 | 120.7° | 120.0° |
| O8 | C28 | O7 | C24 | 75.6° | 65.0° |
| O8 | C28 | C29 | H31 | 64.5° | 177.4° |
| O8 | C28 | C29 | H32 | 176.2° | 62.3° |
| C28 | O8 | C32 | H49 | 50.0° | 58.8° |
| C27 | C26 | C25 | O5 | 121.2° | 120.0° |
| C27 | C26 | C25 | H54 | 120.1° | 120.0° |
| C27 | C26 | C25 | C24 | 176.5° | 177.6° |
| C27 | C26 | O5 | H54 | 118.2° | 120.0° |
| C27 | C26 | O5 | C22 | 168.8° | 178.8° |
| C27 | C26 | C25 | H53 | 65.9° | 57.7° |
| C26 | C27 | H55 | H56 | 120.0° | 120.1° |
| C26 | C27 | H55 | H57 | 120.0° | 119.9° |
| C26 | C27 | H56 | H57 | 120.0° | 120.0° |
| O10 | C30 | C29 | H33 | 120.6° | 120.2° |
| C30 | O10 | C34 | C35 | 160.0° | 175.1° |
| O10 | C30 | C29 | C28 | 168.5° | 176.9° |
| C30 | O10 | C34 | O12 | 78.8° | 65.0° |
| O10 | C30 | C29 | H31 | 48.1° | 63.2° |
| O10 | C30 | C29 | H32 | 71.1° | 57.0° |
| C30 | O10 | C34 | H34 | 41.7° | 55.0° |
| O10 | C30 | C31 | H47 | 70.7° | 63.3° |
| C34 | O10 | C30 | C29 | 92.8° | 90.0° |
| O10 | C34 | C35 | O12 | 120.4° | 119.9° |
| O10 | C34 | C35 | H34 | 119.1° | 120.1° |
| O10 | C34 | C35 | C36 | 168.9° | 177.6° |
| O10 | C34 | O12 | H34 | 120.6° | 120.0° |
| O10 | C34 | O12 | C38 | 176.9° | 178.9° |
| C34 | O10 | C30 | H33 | 27.0° | 30.2° |
| O10 | C34 | C35 | H35 | 70.5° | 62.5° |
| O10 | C34 | C35 | H36 | 48.4° | 57.7° |
| C14 | O | C13 | O1 | 48.9° | 0.0° |
| C14 | O | C13 | C3 | 131.6° | 180.0° |
| O | C14 | H17 | H18 | 120.0° | 120.0° |
| O | C14 | H17 | H19 | 120.0° | 120.1° |
| O | C14 | H18 | H19 | 120.0° | 120.0° |
| C26 | C25 | C24 | H53 | 117.6° | 119.9° |
| C25 | C26 | O5 | H54 | 117.8° | 120.0° |
| C26 | C25 | C24 | O7 | 173.5° | 176.9° |
| C26 | C25 | C24 | C23 | 52.0° | 57.0° |
| C25 | C26 | O5 | C22 | 67.3° | 61.1° |
| C26 | C25 | O6 | H9 | 180.0° | 60.0° |
| C26 | C25 | C24 | H29 | 66.3° | 62.9° |
| C25 | C26 | C27 | H55 | 180.0° | 59.9° |
| C25 | C26 | C27 | H56 | 60.0° | 180.0° |
| C25 | C26 | C27 | H57 | 60.0° | 60.0° |
| C25 | C24 | O7 | C28 | 97.2° | 150.4° |
| C24 | C25 | C26 | O5 | 62.3° | 57.6° |
| C25 | C24 | O7 | C23 | 121.3° | 119.6° |
| C25 | C24 | O7 | H29 | 119.5° | 120.2° |
| C25 | C24 | C23 | H29 | 118.4° | 119.8° |
| C25 | C24 | C23 | C22 | 46.4° | 57.0° |
| C24 | C25 | O6 | H9 | 57.8° | 179.7° |
| C25 | C24 | C23 | H27 | 74.3° | 176.8° |
| C25 | C24 | C23 | H28 | 167.0° | 63.0° |
| C24 | C25 | C26 | H54 | 56.4° | 62.4° |
| C30 | C29 | C28 | H31 | 120.4° | 119.8° |
| C30 | C29 | C28 | H32 | 120.4° | 120.0° |
| C30 | C29 | C28 | O7 | 177.5° | 177.6° |
| C30 | C29 | C28 | H30 | 62.2° | 62.3° |
| C30 | C29 | H31 | H32 | 118.9° | 120.2° |
| C29 | C30 | C31 | H47 | 167.2° | 176.9° |
| C34 | C35 | C36 | H35 | 120.6° | 119.9° |
| C34 | C35 | C36 | H36 | 120.6° | 119.9° |
| C34 | C35 | C36 | C40 | 170.6° | 176.9° |
| C35 | C34 | O12 | H34 | 119.8° | 120.0° |
| C35 | C34 | O12 | C38 | 57.3° | 61.2° |
| C34 | C35 | C36 | C37 | 47.8° | 57.0° |
| C34 | C35 | C36 | O11 | 70.7° | 62.9° |
| C34 | C35 | H35 | H36 | 118.1° | 120.2° |
| C35 | C36 | C40 | C37 | 121.7° | 119.6° |
| C35 | C36 | C40 | O11 | 119.2° | 120.2° |
| C36 | C35 | C34 | O12 | 48.6° | 57.6° |
| C35 | C36 | C37 | O11 | 118.8° | 119.8° |
| C35 | C36 | C37 | C38 | 53.9° | 57.0° |
| C35 | C36 | C37 | O13 | 176.0° | 176.9° |
| C36 | C35 | C34 | H34 | 72.0° | 62.4° |
| C36 | C35 | H35 | H36 | 118.1° | 120.2° |
| C35 | C36 | O11 | H37 | 180.0° | 60.0° |
| C35 | C36 | C40 | H38 | 180.0° | 60.0° |
| C35 | C36 | C40 | H39 | 60.0° | 180.0° |
| C35 | C36 | C40 | H40 | 60.0° | 60.0° |
| C35 | C36 | C37 | H41 | 64.1° | 62.9° |
| C29 | C28 | O7 | H30 | 119.6° | 120.1° |
| C29 | C28 | O7 | C24 | 164.6° | 175.0° |
| C28 | C29 | H31 | H32 | 118.9° | 120.2° |
| C28 | C29 | C30 | H33 | 70.9° | 62.8° |
| C40 | C36 | C37 | O11 | 118.9° | 120.3° |
| C40 | C36 | C37 | C38 | 176.2° | 176.8° |
| C40 | C36 | C37 | O13 | 61.6° | 63.3° |
| C40 | C36 | C35 | H35 | 68.8° | 63.3° |
| C40 | C36 | C35 | H36 | 50.0° | 57.0° |
| C40 | C36 | O11 | H37 | 59.8° | 60.2° |
| C36 | C40 | H38 | H39 | 120.0° | 119.9° |
| C36 | C40 | H38 | H40 | 120.0° | 120.1° |
| C36 | C40 | H39 | H40 | 120.0° | 120.0° |
| C40 | C36 | C37 | H41 | 58.2° | 56.9° |
| C28 | O7 | C24 | C23 | 141.5° | 90.0° |
| C28 | O7 | C24 | H29 | 22.3° | 30.2° |
| O7 | C28 | C29 | H31 | 57.2° | 62.6° |
| O7 | C28 | C29 | H32 | 62.1° | 57.6° |
| C26 | O5 | C22 | C23 | 60.0° | 61.1° |
| C26 | O5 | C22 | O4 | 178.7° | 178.9° |
| C26 | O5 | C22 | H26 | 58.8° | 58.8° |
| O5 | C26 | C25 | H53 | 55.3° | 62.3° |
| O5 | C26 | C27 | H55 | 59.2° | 60.1° |
| O5 | C26 | C27 | H56 | 179.2° | 60.0° |
| O5 | C26 | C27 | H57 | 60.9° | 180.0° |
| C15 | O3 | C1 | C2 | 80.9° | 108.6° |
| C15 | O3 | C1 | C | 152.9° | 131.4° |
| C15 | O3 | C1 | H6 | 34.6° | 11.4° |
| O3 | C15 | H14 | H15 | 120.0° | 120.0° |
| O3 | C15 | H14 | H16 | 120.0° | 120.0° |
| O3 | C15 | H15 | H16 | 120.0° | 120.0° |
| O7 | C24 | C23 | H29 | 119.9° | 120.2° |
| O7 | C24 | C23 | C22 | 168.1° | 176.9° |
| O7 | C24 | C23 | H27 | 47.4° | 63.2° |
| O7 | C24 | C23 | H28 | 71.3° | 57.0° |
| C24 | O7 | C28 | H30 | 45.0° | 55.0° |
| O7 | C24 | C25 | H53 | 55.9° | 57.0° |
| C34 | O12 | C38 | C37 | 64.5° | 61.1° |
| C34 | O12 | C38 | C39 | 172.7° | 178.9° |
| O12 | C34 | C35 | H35 | 169.2° | 177.5° |
| O12 | C34 | C35 | H36 | 72.0° | 62.3° |
| C34 | O12 | C38 | H43 | 53.6° | 58.9° |
| O | C13 | O1 | C3 | 179.5° | 180.0° |
| O | C13 | C3 | C4 | 61.2° | 60.0° |
| O | C13 | C3 | N | 63.6° | 180.0° |
| O | C13 | C3 | H3 | 178.0° | 60.1° |
| C13 | O | C14 | H17 | 180.0° | 60.0° |
| C13 | O | C14 | H18 | 60.0° | 60.0° |
| C13 | O | C14 | H19 | 60.0° | 180.0° |
| O12 | C38 | C37 | C36 | 62.0° | 57.6° |
| O12 | C38 | C37 | C39 | 121.8° | 120.0° |
| O12 | C38 | C37 | H43 | 119.0° | 120.0° |
| O12 | C38 | C37 | O13 | 175.9° | 177.5° |
| O12 | C38 | C39 | H43 | 119.9° | 120.0° |
| C38 | O12 | C34 | H34 | 62.5° | 58.9° |
| O12 | C38 | C37 | H41 | 56.0° | 62.3° |
| O12 | C38 | C39 | H44 | 180.0° | 60.0° |
| O12 | C38 | C39 | H45 | 60.0° | 60.0° |
| O12 | C38 | C39 | H46 | 60.0° | 180.0° |
| C36 | C37 | C38 | O13 | 122.1° | 119.9° |
| C36 | C37 | C38 | H41 | 118.0° | 119.9° |
| C36 | C37 | O13 | H41 | 119.1° | 120.1° |
| C36 | C37 | C38 | C39 | 176.1° | 177.6° |
| C37 | C36 | C35 | H35 | 168.4° | 176.9° |
| C37 | C36 | C35 | H36 | 72.8° | 62.9° |
| C37 | C36 | O11 | H37 | 61.0° | 179.5° |
| C37 | C36 | C40 | H38 | 58.3° | 59.5° |
| C37 | C36 | C40 | H39 | 178.3° | 60.4° |
| C37 | C36 | C40 | H40 | 61.6° | 179.5° |
| C36 | C37 | O13 | H42 | 180.0° | 180.0° |
| C36 | C37 | C38 | H43 | 56.9° | 62.4° |
| O11 | C36 | C37 | C38 | 64.9° | 62.9° |
| O11 | C36 | C37 | O13 | 57.3° | 57.1° |
| O11 | C36 | C35 | H35 | 49.9° | 57.0° |
| O11 | C36 | C35 | H36 | 168.7° | 177.2° |
| O11 | C36 | C40 | H38 | 60.8° | 179.8° |
| O11 | C36 | C40 | H39 | 59.2° | 59.9° |
| O11 | C36 | C40 | H40 | 179.2° | 60.2° |
| O11 | C36 | C37 | H41 | 177.1° | 177.2° |
| C24 | C23 | C22 | O5 | 49.2° | 57.6° |
| C24 | C23 | C22 | H27 | 120.7° | 119.8° |
| C24 | C23 | C22 | H28 | 120.6° | 120.0° |
| C24 | C23 | C22 | O4 | 170.0° | 177.6° |
| C24 | C23 | C22 | H26 | 70.4° | 62.4° |
| C24 | C23 | H27 | H28 | 118.0° | 120.2° |
| C23 | C24 | C25 | H53 | 65.5° | 62.9° |
| O5 | C22 | C23 | O4 | 120.7° | 120.0° |
| O5 | C22 | C23 | H26 | 119.6° | 120.0° |
| O5 | C22 | O4 | H26 | 120.0° | 120.1° |
| O5 | C22 | O4 | C21 | 86.2° | 65.0° |
| O5 | C22 | C23 | H27 | 71.4° | 177.5° |
| O5 | C22 | C23 | H28 | 169.9° | 62.3° |
| C22 | O5 | C26 | H54 | 50.5° | 58.9° |
| C38 | C37 | O13 | H41 | 119.1° | 120.1° |
| C37 | C38 | C39 | H43 | 119.2° | 120.0° |
| C38 | C37 | O13 | H42 | 58.2° | 60.3° |
| C37 | C38 | C39 | H44 | 59.1° | 60.0° |
| C37 | C38 | C39 | H45 | 60.9° | 180.0° |
| C37 | C38 | C39 | H46 | 179.1° | 60.0° |
| O13 | C37 | C38 | C39 | 54.0° | 62.5° |
| O13 | C37 | C38 | H43 | 65.2° | 57.5° |
| O3 | C1 | C2 | O2 | 32.8° | 0.0° |
| O3 | C1 | C2 | C | 124.7° | 120.0° |
| O3 | C1 | C2 | H6 | 116.1° | 120.0° |
| O3 | C1 | C | H6 | 119.2° | 120.0° |
| O3 | C1 | C2 | N | 146.2° | 180.0° |
| O3 | C1 | C | C21 | 23.1° | 65.8° |
| O3 | C1 | C | C16 | 104.5° | 54.1° |
| O3 | C1 | C | H11 | 138.8° | 174.1° |
| C1 | O3 | C15 | H14 | 180.0° | 64.9° |
| C1 | O3 | C15 | H15 | 60.0° | 175.1° |
| C1 | O3 | C15 | H16 | 60.0° | 55.1° |
| C39 | C38 | C37 | H41 | 65.8° | 57.7° |
| C38 | C39 | H44 | H45 | 120.0° | 120.0° |
| C38 | C39 | H44 | H46 | 120.0° | 120.0° |
| C38 | C39 | H45 | H46 | 120.0° | 120.0° |
| C23 | C22 | O4 | H26 | 118.8° | 120.0° |
| C23 | C22 | O4 | C21 | 152.7° | 175.0° |
| C22 | C23 | H27 | H28 | 118.0° | 120.2° |
| C22 | C23 | C24 | H29 | 72.0° | 62.9° |
| O1 | C13 | C3 | C4 | 119.3° | 120.0° |
| O1 | C13 | C3 | N | 115.9° | 0.0° |
| O1 | C13 | C3 | H3 | 2.5° | 120.0° |
| C13 | C3 | N | C2 | 113.6° | 85.0° |
| C13 | C3 | C4 | N | 118.5° | 120.0° |
| C13 | C3 | C4 | H3 | 117.1° | 120.1° |
| C13 | C3 | C4 | C5 | 175.6° | 175.0° |
| C13 | C3 | N | H3 | 118.0° | 120.0° |
| C13 | C3 | C4 | H4 | 63.1° | 64.9° |
| C13 | C3 | C4 | H5 | 54.3° | 55.0° |
| C13 | C3 | N | H20 | 66.4° | 95.0° |
| C22 | O4 | C21 | C | 153.1° | 150.0° |
| C22 | O4 | C21 | C20 | 86.5° | 92.0° |
| C22 | O4 | C21 | H25 | 34.4° | 29.1° |
| O4 | C22 | C23 | H27 | 49.3° | 62.6° |
| O4 | C22 | C23 | H28 | 69.4° | 57.7° |
| O2 | C2 | C1 | N | 178.9° | 180.0° |
| O2 | C2 | C1 | C | 91.9° | 120.0° |
| O2 | C2 | N | C3 | 0.3° | 0.0° |
| O2 | C2 | C1 | H6 | 148.9° | 120.0° |
| O2 | C2 | N | H20 | 179.7° | 180.0° |
| C2 | C1 | C | H6 | 119.5° | 120.0° |
| C1 | C2 | N | C3 | 178.6° | 180.0° |
| C2 | C1 | C | C21 | 144.4° | 174.2° |
| C2 | C1 | C | C16 | 16.7° | 65.9° |
| C2 | C1 | C | H11 | 100.0° | 54.1° |
| C1 | C2 | N | H20 | 1.4° | 0.0° |
| C | C1 | C2 | N | 89.2° | 60.0° |
| C1 | C | C21 | O4 | 54.4° | 175.2° |
| C1 | C | C21 | C16 | 129.1° | 120.0° |
| C1 | C | C21 | H11 | 115.5° | 120.1° |
| C1 | C | C21 | C20 | 176.0° | 55.7° |
| C1 | C | C16 | H11 | 116.6° | 120.0° |
| C1 | C | C16 | C17 | 179.4° | 65.3° |
| C1 | C | C16 | H12 | 60.1° | 174.3° |
| C1 | C | C16 | H13 | 58.9° | 55.2° |
| C1 | C | C21 | H25 | 65.1° | 63.9° |
| C2 | N | C3 | C4 | 4.4° | 155.0° |
| C2 | N | C3 | H20 | 180.0° | 180.0° |
| C2 | N | C3 | H3 | 128.3° | 35.0° |
| N | C2 | C1 | H6 | 30.1° | 60.0° |
| C3 | C4 | C5 | H4 | 121.3° | 120.0° |
| C3 | C4 | C5 | H5 | 121.3° | 120.0° |
| C4 | C3 | N | H3 | 123.9° | 120.0° |
| C3 | C4 | C5 | C6 | 135.5° | 95.0° |
| C3 | C4 | C5 | C8 | 46.5° | 85.6° |
| C3 | C4 | H4 | H5 | 115.9° | 120.0° |
| C4 | C3 | N | H20 | 175.6° | 25.0° |
| C5 | C4 | C3 | N | 65.9° | 65.0° |
| C4 | C5 | C6 | C8 | 178.4° | 179.5° |
| C4 | C5 | C6 | N1 | 179.3° | 180.0° |
| C4 | C5 | C8 | C7 | 179.1° | 179.9° |
| C4 | C5 | C8 | C9 | 1.6° | 0.4° |
| C4 | C5 | C6 | H2 | 0.7° | 0.1° |
| C5 | C4 | C3 | H3 | 58.5° | 54.9° |
| C5 | C4 | H4 | H5 | 115.9° | 120.0° |
| N | C3 | C4 | H4 | 55.4° | 55.0° |
| N | C3 | C4 | H5 | 172.8° | 175.0° |
| O4 | C21 | C | C20 | 121.6° | 119.5° |
| O4 | C21 | C | H25 | 119.5° | 121.0° |
| O4 | C21 | C20 | H25 | 121.5° | 121.0° |
| O4 | C21 | C | C16 | 176.6° | 55.2° |
| O4 | C21 | C20 | O14 | 25.3° | 103.5° |
| O4 | C21 | C20 | C19 | 152.2° | 76.6° |
| O4 | C21 | C | H11 | 61.2° | 64.7° |
| C21 | O4 | C22 | H26 | 33.8° | 55.0° |
| C5 | C6 | N1 | H2 | 180.0° | 179.9° |
| C5 | C6 | N1 | C7 | 0.6° | 0.4° |
| C6 | C5 | C8 | C7 | 0.8° | 0.5° |
| C6 | C5 | C8 | C9 | 179.8° | 179.8° |
| C6 | C5 | C4 | H4 | 14.2° | 145.0° |
| C6 | C5 | C4 | H5 | 103.2° | 25.0° |
| C5 | C6 | N1 | H8 | 179.4° | 180.0° |
| N1 | C6 | C5 | C8 | 0.9° | 0.5° |
| C6 | N1 | C7 | H8 | 180.0° | 179.6° |
| C6 | N1 | C7 | C8 | 0.1° | 0.0° |
| C6 | N1 | C7 | C12 | 179.9° | 179.7° |
| C | C21 | C20 | H25 | 118.7° | 119.5° |
| C21 | C | C16 | H11 | 115.4° | 120.0° |
| C21 | C | C16 | C17 | 52.6° | 54.7° |
| C | C21 | C20 | O14 | 145.1° | 137.1° |
| C | C21 | C20 | C19 | 32.4° | 42.9° |
| C21 | C | C1 | H6 | 96.1° | 54.2° |
| C21 | C | C16 | H12 | 67.9° | 65.8° |
| C21 | C | C16 | H13 | 173.1° | 175.2° |
| C20 | C21 | C | C16 | 54.9° | 64.2° |
| C21 | C20 | O14 | C19 | 177.5° | 180.0° |
| C21 | C20 | C19 | C17 | 5.7° | 11.9° |
| C21 | C20 | C19 | C41 | 175.8° | 168.3° |
| C20 | C21 | C | H11 | 60.4° | 175.8° |
| C5 | C8 | C7 | N1 | 0.5° | 0.3° |
| C5 | C8 | C7 | C9 | 179.4° | 179.8° |
| C5 | C8 | C7 | C12 | 179.5° | 179.9° |
| C5 | C8 | C9 | C10 | 179.4° | 179.9° |
| C8 | C5 | C6 | H2 | 179.1° | 179.6° |
| C8 | C5 | C4 | H4 | 167.8° | 34.4° |
| C8 | C5 | C4 | H5 | 74.8° | 154.4° |
| C5 | C8 | C9 | H7 | 0.6° | 0.1° |
| C | C16 | C17 | H12 | 120.5° | 120.5° |
| C | C16 | C17 | H13 | 120.5° | 120.4° |
| C | C16 | C17 | C19 | 25.3° | 22.8° |
| C | C16 | C17 | C18 | 155.4° | 157.5° |
| C16 | C | C1 | H6 | 136.3° | 174.1° |
| C | C16 | H12 | H13 | 118.5° | 119.1° |
| C16 | C | C21 | H25 | 64.0° | 176.2° |
| N1 | C7 | C8 | C12 | 180.0° | 179.8° |
| N1 | C7 | C8 | C9 | 179.9° | 180.0° |
| N1 | C7 | C12 | C11 | 179.9° | 179.7° |
| C7 | N1 | C6 | H2 | 179.4° | 179.7° |
| N1 | C7 | C12 | H21 | 0.1° | 0.3° |
| C16 | C17 | C19 | C20 | 1.5° | 0.9° |
| C16 | C17 | C19 | C18 | 179.2° | 179.7° |
| C16 | C17 | C19 | C41 | 179.9° | 179.3° |
| C16 | C17 | C18 | C43 | 179.7° | 179.4° |
| C16 | C17 | C18 | H10 | 0.3° | 0.7° |
| C17 | C16 | C | H11 | 62.8° | 174.7° |
| C17 | C16 | H12 | H13 | 118.5° | 119.1° |
| O14 | C20 | C19 | C17 | 171.8° | 168.1° |
| O14 | C20 | C19 | C41 | 6.8° | 11.7° |
| O14 | C20 | C21 | H25 | 96.2° | 17.6° |
| C20 | C19 | C17 | C41 | 178.6° | 179.8° |
| C20 | C19 | C17 | C18 | 179.3° | 179.4° |
| C20 | C19 | C41 | O15 | 1.4° | 0.4° |
| C20 | C19 | C41 | C42 | 179.2° | 179.5° |
| C19 | C20 | C21 | H25 | 86.4° | 162.4° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | C7 | C12 | C11 | 0.2° | 0.1° |
| C7 | C8 | C9 | H7 | 179.9° | 179.8° |
| C8 | C7 | N1 | H8 | 179.9° | 179.7° |
| C8 | C7 | C12 | H21 | 179.8° | 179.9° |
| C9 | C8 | C7 | C12 | 0.1° | 0.2° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | C61 | 179.9° | 180.0° |
| C7 | C12 | C11 | H21 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.2° | 0.2° |
| C7 | C12 | C11 | H1 | 179.8° | 179.9° |
| C12 | C7 | N1 | H8 | 0.1° | 0.1° |
| C9 | C10 | C11 | C12 | 0.2° | 0.2° |
| C9 | C10 | C11 | C61 | 179.8° | 180.0° |
| C9 | C10 | C11 | H1 | 179.8° | 180.0° |
| C9 | C10 | C61 | H22 | 89.9° | 90.0° |
| C9 | C10 | C61 | H23 | 150.1° | 30.0° |
| C9 | C10 | C61 | H24 | 30.1° | 150.0° |
| C19 | C17 | C18 | C43 | 0.4° | 0.3° |
| C17 | C19 | C41 | O15 | 179.9° | 179.8° |
| C17 | C19 | C41 | C42 | 0.6° | 0.3° |
| C19 | C17 | C18 | H10 | 179.6° | 179.6° |
| C19 | C17 | C16 | H12 | 95.2° | 97.6° |
| C19 | C17 | C16 | H13 | 145.8° | 143.3° |
| C18 | C17 | C19 | C41 | 0.7° | 0.4° |
| C17 | C18 | C43 | H10 | 180.0° | 179.9° |
| C17 | C18 | C43 | C42 | 0.1° | 0.0° |
| C17 | C18 | C43 | C44 | 179.8° | 179.9° |
| C18 | C17 | C16 | H12 | 84.1° | 82.1° |
| C18 | C17 | C16 | H13 | 34.9° | 37.0° |
| C19 | C41 | O15 | C42 | 179.5° | 179.9° |
| C19 | C41 | C42 | C43 | 0.3° | 0.0° |
| C19 | C41 | C42 | C60 | 179.5° | 180.0° |
| C19 | C41 | O15 | H58 | 3.9° | 89.9° |
| C12 | C11 | C10 | H1 | 180.0° | 179.8° |
| C12 | C11 | C10 | C61 | 180.0° | 179.8° |
| C18 | C43 | C42 | C41 | 0.1° | 0.1° |
| C18 | C43 | C42 | C44 | 179.9° | 179.9° |
| C18 | C43 | C42 | C60 | 179.8° | 179.9° |
| C18 | C43 | C44 | C45 | 179.7° | 179.9° |
| C18 | C43 | C44 | H59 | 0.3° | 0.1° |
| C11 | C10 | C9 | H7 | 179.8° | 179.9° |
| C10 | C11 | C12 | H21 | 179.8° | 179.8° |
| C11 | C10 | C61 | H22 | 89.9° | 90.0° |
| C11 | C10 | C61 | H23 | 30.1° | 150.0° |
| C11 | C10 | C61 | H24 | 150.1° | 30.0° |
| C61 | C10 | C11 | H1 | 0.0° | 0.1° |
| C61 | C10 | C9 | H7 | 0.1° | 0.0° |
| C10 | C61 | H22 | H23 | 120.0° | 119.9° |
| C10 | C61 | H22 | H24 | 120.0° | 120.0° |
| C10 | C61 | H23 | H24 | 120.0° | 120.0° |
| O15 | C41 | C42 | C43 | 179.8° | 179.9° |
| O15 | C41 | C42 | C60 | 0.1° | 0.1° |
| C41 | C42 | C43 | C60 | 179.9° | 180.0° |
| C41 | C42 | C43 | C44 | 179.9° | 180.0° |
| C41 | C42 | C60 | O23 | 0.2° | 0.0° |
| C41 | C42 | C60 | C58 | 179.8° | 179.9° |
| C42 | C41 | O15 | H58 | 176.6° | 90.0° |
| C42 | C43 | C44 | C45 | 0.2° | 0.0° |
| C43 | C42 | C60 | O23 | 179.9° | 180.0° |
| C43 | C42 | C60 | C58 | 0.3° | 0.1° |
| C42 | C43 | C18 | H10 | 179.9° | 179.9° |
| C42 | C43 | C44 | H59 | 179.8° | 180.0° |
| C44 | C43 | C42 | C60 | 0.3° | 0.0° |
| C43 | C44 | C45 | H59 | 180.0° | 180.0° |
| C43 | C44 | C45 | C58 | 0.6° | 0.1° |
| C43 | C44 | C45 | O16 | 179.8° | 180.0° |
| C44 | C43 | C18 | H10 | 0.2° | 0.2° |
| C42 | C60 | O23 | C58 | 179.6° | 179.9° |
| C42 | C60 | C58 | C45 | 0.1° | 0.1° |
| C42 | C60 | C58 | C59 | 179.8° | 180.0° |
| C42 | C60 | O23 | H63 | 180.0° | 90.0° |
| C44 | C45 | C58 | C60 | 0.6° | 0.1° |
| C44 | C45 | C58 | O16 | 179.2° | 179.9° |
| C44 | C45 | C58 | C59 | 179.8° | 180.0° |
| C44 | C45 | O16 | C46 | 36.9° | 0.0° |
| O23 | C60 | C58 | C45 | 179.5° | 180.0° |
| O23 | C60 | C58 | C59 | 0.2° | 0.1° |
| C60 | C58 | C45 | C59 | 179.7° | 179.9° |
| C60 | C58 | C45 | O16 | 179.7° | 180.0° |
| C60 | C58 | C59 | H60 | 90.2° | 89.9° |
| C60 | C58 | C59 | H61 | 149.9° | 30.0° |
| C60 | C58 | C59 | H62 | 29.8° | 150.1° |
| C58 | C60 | O23 | H63 | 0.4° | 89.9° |
| C58 | C45 | O16 | C46 | 143.9° | 179.9° |
| C58 | C45 | C44 | H59 | 179.4° | 179.9° |
| C45 | C58 | C59 | H60 | 90.2° | 90.0° |
| C45 | C58 | C59 | H61 | 29.8° | 150.1° |
| C45 | C58 | C59 | H62 | 149.9° | 30.0° |
| O16 | C45 | C58 | C59 | 0.6° | 0.1° |
| C45 | O16 | C46 | O17 | 96.0° | 65.1° |
| C45 | O16 | C46 | C47 | 144.6° | 175.0° |
| O16 | C45 | C44 | H59 | 0.2° | 0.0° |
| C45 | O16 | C46 | H64 | 24.9° | 55.0° |
| C58 | C59 | H60 | H61 | 120.0° | 120.0° |
| C58 | C59 | H60 | H62 | 120.0° | 120.0° |
| C58 | C59 | H61 | H62 | 120.0° | 120.1° |
| C51 | C50 | O17 | C49 | 120.6° | 120.0° |
| C51 | C50 | O17 | H70 | 119.1° | 120.0° |
| C51 | C50 | O17 | C46 | 178.7° | 178.8° |
| C51 | C50 | C49 | H70 | 118.3° | 120.0° |
| C51 | C50 | C49 | O18 | 68.2° | 62.4° |
| C51 | C50 | C49 | C48 | 170.9° | 177.6° |
| C51 | C50 | C49 | H68 | 51.3° | 57.7° |
| C50 | C51 | H71 | H72 | 120.0° | 120.0° |
| C50 | C51 | H71 | H73 | 120.0° | 120.0° |
| C50 | C51 | H72 | H73 | 120.0° | 120.1° |
| O17 | C50 | C49 | H70 | 121.1° | 120.0° |
| C50 | O17 | C46 | O16 | 176.8° | 178.8° |
| C50 | O17 | C46 | C47 | 63.1° | 61.2° |
| O17 | C50 | C49 | O18 | 171.2° | 177.5° |
| O17 | C50 | C49 | C48 | 50.2° | 57.6° |
| C50 | O17 | C46 | H64 | 55.9° | 58.9° |
| O17 | C50 | C49 | H68 | 69.4° | 62.3° |
| O17 | C50 | C51 | H71 | 180.0° | 60.0° |
| O17 | C50 | C51 | H72 | 60.0° | 60.0° |
| O17 | C50 | C51 | H73 | 60.0° | 179.9° |
| C46 | O17 | C50 | C49 | 60.6° | 61.2° |
| O17 | C46 | O16 | C47 | 119.3° | 119.9° |
| O17 | C46 | O16 | H64 | 120.9° | 120.0° |
| O17 | C46 | C47 | H64 | 119.8° | 120.1° |
| O17 | C46 | C47 | C48 | 56.1° | 57.7° |
| O17 | C46 | C47 | H65 | 176.5° | 177.5° |
| O17 | C46 | C47 | H66 | 64.3° | 62.3° |
| C46 | O17 | C50 | H70 | 59.6° | 58.8° |
| C50 | C49 | O18 | C48 | 123.4° | 119.7° |
| C50 | C49 | O18 | H68 | 118.7° | 120.1° |
| C50 | C49 | C48 | H68 | 119.6° | 119.9° |
| C50 | C49 | C48 | C47 | 45.0° | 57.0° |
| C50 | C49 | C48 | O19 | 167.0° | 176.8° |
| C50 | C49 | C48 | H67 | 74.6° | 62.9° |
| C50 | C49 | O18 | H69 | 180.0° | 60.3° |
| C49 | C50 | C51 | H71 | 58.2° | 60.0° |
| C49 | C50 | C51 | H72 | 61.8° | 180.0° |
| C49 | C50 | C51 | H73 | 178.2° | 60.0° |
| O16 | C46 | C47 | H64 | 120.5° | 120.0° |
| O16 | C46 | C47 | C48 | 175.8° | 177.6° |
| O16 | C46 | C47 | H65 | 63.8° | 62.5° |
| O16 | C46 | C47 | H66 | 55.4° | 57.7° |
| C46 | C47 | C48 | C49 | 48.3° | 57.0° |
| C46 | C47 | C48 | H65 | 120.4° | 119.9° |
| C46 | C47 | C48 | H66 | 120.4° | 120.0° |
| C46 | C47 | C48 | O19 | 167.7° | 176.9° |
| C46 | C47 | H65 | H66 | 118.8° | 120.2° |
| C46 | C47 | C48 | H67 | 71.3° | 62.9° |
| O18 | C49 | C48 | H68 | 118.6° | 120.2° |
| O18 | C49 | C48 | C47 | 166.8° | 176.9° |
| O18 | C49 | C48 | O19 | 71.2° | 63.3° |
| O18 | C49 | C48 | H67 | 47.2° | 57.0° |
| O18 | C49 | C50 | H70 | 50.1° | 57.5° |
| C49 | C48 | C47 | O19 | 119.3° | 119.9° |
| C49 | C48 | C47 | H67 | 119.7° | 120.0° |
| C49 | C48 | O19 | H67 | 117.7° | 120.3° |
| C49 | C48 | O19 | C52 | 142.7° | 150.4° |
| C49 | C48 | C47 | H65 | 168.7° | 176.9° |
| C49 | C48 | C47 | H66 | 72.1° | 62.9° |
| C48 | C49 | O18 | H69 | 56.6° | 180.0° |
| C48 | C49 | C50 | H70 | 70.8° | 62.4° |
| C47 | C48 | O19 | H67 | 120.3° | 120.1° |
| C47 | C48 | O19 | C52 | 95.3° | 90.0° |
| C48 | C47 | C46 | H64 | 63.7° | 62.4° |
| C48 | C47 | H65 | H66 | 118.9° | 120.2° |
| C47 | C48 | C49 | H68 | 74.5° | 62.9° |
| C48 | O19 | C52 | O20 | 72.2° | 65.0° |
| C48 | O19 | C52 | C53 | 167.0° | 175.1° |
| O19 | C48 | C47 | H65 | 71.9° | 63.2° |
| O19 | C48 | C47 | H66 | 47.3° | 56.9° |
| O19 | C48 | C49 | H68 | 47.4° | 56.9° |
| C48 | O19 | C52 | H74 | 47.6° | 55.0° |
| C57 | C56 | O20 | C55 | 122.8° | 120.0° |
| C57 | C56 | O20 | H81 | 118.6° | 120.0° |
| C57 | C56 | O20 | C52 | 172.8° | 178.9° |
| C57 | C56 | C55 | H81 | 119.3° | 120.0° |
| C57 | C56 | C55 | O21 | 63.5° | 62.4° |
| C57 | C56 | C55 | C54 | 175.4° | 177.6° |
| C57 | C56 | C55 | H79 | 56.2° | 57.7° |
| C56 | C57 | H82 | H83 | 120.0° | 120.0° |
| C56 | C57 | H82 | H84 | 120.0° | 120.1° |
| C56 | C57 | H83 | H84 | 120.0° | 120.0° |
| O19 | C52 | O20 | C56 | 171.3° | 178.8° |
| O19 | C52 | O20 | C53 | 122.3° | 120.0° |
| O19 | C52 | O20 | H74 | 119.7° | 120.0° |
| O19 | C52 | C53 | H74 | 120.2° | 120.0° |
| O19 | C52 | C53 | C54 | 178.3° | 177.6° |
| C52 | O19 | C48 | H67 | 25.0° | 30.1° |
| O19 | C52 | C53 | H75 | 61.6° | 62.5° |
| O19 | C52 | C53 | H76 | 58.3° | 57.7° |
| O20 | C56 | C55 | H81 | 119.4° | 120.0° |
| C56 | O20 | C52 | C53 | 66.4° | 61.1° |
| O20 | C56 | C55 | O21 | 175.3° | 177.5° |
| O20 | C56 | C55 | C54 | 54.1° | 57.6° |
| C56 | O20 | C52 | H74 | 51.6° | 58.9° |
| O20 | C56 | C55 | H79 | 65.0° | 62.3° |
| O20 | C56 | C57 | H82 | 180.0° | 59.9° |
| O20 | C56 | C57 | H83 | 60.0° | 60.0° |
| O20 | C56 | C57 | H84 | 60.0° | 180.0° |
| C52 | O20 | C56 | C55 | 64.4° | 61.1° |
| O20 | C52 | C53 | H74 | 118.8° | 120.0° |
| O20 | C52 | C53 | C54 | 57.3° | 57.6° |
| O20 | C52 | C53 | H75 | 177.4° | 177.5° |
| O20 | C52 | C53 | H76 | 62.7° | 62.3° |
| C52 | O20 | C56 | H81 | 54.2° | 58.9° |
| C56 | C55 | O21 | C54 | 122.3° | 119.7° |
| C56 | C55 | O21 | H79 | 118.9° | 120.2° |
| C56 | C55 | C54 | H79 | 119.2° | 119.9° |
| C56 | C55 | C54 | C53 | 48.4° | 57.0° |
| C56 | C55 | C54 | O22 | 170.5° | 176.8° |
| C56 | C55 | C54 | H77 | 70.8° | 62.9° |
| C56 | C55 | O21 | H80 | 180.0° | 60.4° |
| C55 | C56 | C57 | H82 | 58.6° | 60.0° |
| C55 | C56 | C57 | H83 | 61.4° | 180.0° |
| C55 | C56 | C57 | H84 | 178.6° | 60.0° |
| C52 | C53 | C54 | C55 | 49.7° | 57.0° |
| C52 | C53 | C54 | H75 | 120.1° | 119.9° |
| C52 | C53 | C54 | H76 | 120.0° | 119.9° |
| C52 | C53 | C54 | O22 | 170.3° | 176.9° |
| C52 | C53 | H75 | H76 | 119.8° | 120.1° |
| C52 | C53 | C54 | H77 | 69.5° | 63.0° |
| O21 | C55 | C54 | H79 | 119.5° | 120.1° |
| O21 | C55 | C54 | C53 | 169.7° | 176.9° |
| O21 | C55 | C54 | O22 | 68.2° | 63.2° |
| O21 | C55 | C54 | H77 | 50.5° | 57.0° |
| O21 | C55 | C56 | H81 | 55.8° | 57.5° |
| C55 | C54 | C53 | O22 | 120.7° | 119.9° |
| C55 | C54 | C53 | H77 | 119.2° | 120.0° |
| C55 | C54 | O22 | H77 | 118.0° | 120.3° |
| C55 | C54 | C53 | H75 | 169.7° | 176.9° |
| C55 | C54 | C53 | H76 | 70.4° | 62.9° |
| C55 | C54 | O22 | H78 | 180.0° | 179.6° |
| C54 | C55 | O21 | H80 | 57.7° | 179.9° |
| C54 | C55 | C56 | H81 | 65.3° | 62.4° |
| C53 | C54 | O22 | H77 | 119.3° | 120.1° |
| C54 | C53 | C52 | H74 | 61.5° | 62.4° |
| C54 | C53 | H75 | H76 | 119.8° | 120.2° |
| C53 | C54 | O22 | H78 | 57.3° | 60.0° |
| C53 | C54 | C55 | H79 | 70.8° | 63.0° |
| O22 | C54 | C53 | H75 | 69.6° | 63.2° |
| O22 | C54 | C53 | H76 | 50.3° | 57.0° |
| O22 | C54 | C55 | H79 | 51.3° | 56.9° |
| H1 | C11 | C12 | H21 | 0.2° | 0.1° |
| H2 | C6 | N1 | H8 | 0.6° | 0.1° |
| H3 | C3 | C4 | H4 | 179.8° | 175.0° |
| H3 | C3 | C4 | H5 | 62.8° | 65.1° |
| H3 | C3 | N | H20 | 51.6° | 145.0° |
| H6 | C1 | C | H11 | 19.6° | 65.9° |
| H9 | O6 | C25 | H53 | 60.9° | 60.2° |
| H11 | C | C16 | H12 | 176.7° | 54.2° |
| H11 | C | C16 | H13 | 57.7° | 64.9° |
| H11 | C | C21 | H25 | 179.3° | 56.2° |
| H14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
| H22 | C61 | H23 | H24 | 120.0° | 120.1° |
| H26 | C22 | C23 | H27 | 168.9° | 57.5° |
| H26 | C22 | C23 | H28 | 50.2° | 177.7° |
| H27 | C23 | C24 | H29 | 167.4° | 57.0° |
| H28 | C23 | C24 | H29 | 48.6° | 177.2° |
| H29 | C24 | C25 | H53 | 176.2° | 177.2° |
| H30 | C28 | C29 | H31 | 177.5° | 57.4° |
| H30 | C28 | C29 | H32 | 58.2° | 177.7° |
| H31 | C29 | C30 | H33 | 168.8° | 57.0° |
| H32 | C29 | C30 | H33 | 49.5° | 177.2° |
| H33 | C30 | C31 | H47 | 48.2° | 56.9° |
| H34 | C34 | C35 | H35 | 48.6° | 57.5° |
| H34 | C34 | C35 | H36 | 167.4° | 177.7° |
| H38 | C40 | H39 | H40 | 120.0° | 120.0° |
| H41 | C37 | O13 | H42 | 60.9° | 59.8° |
| H41 | C37 | C38 | H43 | 174.9° | 177.7° |
| H43 | C38 | C39 | H44 | 60.1° | 180.0° |
| H43 | C38 | C39 | H45 | 179.9° | 60.0° |
| H43 | C38 | C39 | H46 | 59.9° | 60.0° |
| H44 | C39 | H45 | H46 | 120.0° | 120.1° |
| H47 | C31 | O9 | H48 | 60.6° | 60.1° |
| H47 | C31 | C32 | H49 | 57.3° | 57.5° |
| H49 | C32 | C33 | H50 | 61.2° | 180.0° |
| H49 | C32 | C33 | H51 | 58.8° | 60.0° |
| H49 | C32 | C33 | H52 | 178.8° | 60.0° |
| H50 | C33 | H51 | H52 | 120.0° | 120.0° |
| H53 | C25 | C26 | H54 | 174.0° | 177.7° |
| H54 | C26 | C27 | H55 | 59.9° | 180.0° |
| H54 | C26 | C27 | H56 | 60.1° | 59.9° |
| H54 | C26 | C27 | H57 | 179.9° | 60.1° |
| H55 | C27 | H56 | H57 | 120.0° | 119.9° |
| H60 | C59 | H61 | H62 | 120.0° | 119.9° |
| H64 | C46 | C47 | H65 | 56.7° | 57.5° |
| H64 | C46 | C47 | H66 | 175.9° | 177.7° |
| H65 | C47 | C48 | H67 | 49.1° | 56.9° |
| H66 | C47 | C48 | H67 | 168.3° | 177.1° |
| H67 | C48 | C49 | H68 | 165.9° | 177.2° |
| H68 | C49 | O18 | H69 | 61.3° | 59.9° |
| H68 | C49 | C50 | H70 | 169.6° | 177.7° |
| H70 | C50 | C51 | H71 | 60.1° | 180.0° |
| H70 | C50 | C51 | H72 | 179.9° | 60.0° |
| H70 | C50 | C51 | H73 | 59.9° | 60.0° |
| H71 | C51 | H72 | H73 | 120.0° | 120.0° |
| H74 | C52 | C53 | H75 | 58.6° | 57.6° |
| H74 | C52 | C53 | H76 | 178.5° | 177.7° |
| H75 | C53 | C54 | H77 | 50.5° | 56.9° |
| H76 | C53 | C54 | H77 | 170.4° | 177.1° |
| H77 | C54 | O22 | H78 | 62.1° | 60.1° |
| H77 | C54 | C55 | H79 | 170.1° | 177.1° |
| H79 | C55 | O21 | H80 | 61.1° | 59.8° |
| H79 | C55 | C56 | H81 | 175.5° | 177.7° |
| H81 | C56 | C57 | H82 | 60.6° | 180.0° |
| H81 | C56 | C57 | H83 | 179.3° | 60.0° |
| H81 | C56 | C57 | H84 | 59.4° | 60.0° |
| H82 | C57 | H83 | H84 | 120.0° | 120.0° |
