A1L32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C3 | sing | 1.53Å | 1.52Å | |
| C36 | N1 | sing | 1.49Å | 1.47Å | |
| O16 | C40 | sing | 1.43Å | 1.41Å | |
| C39 | O17 | sing | 1.43Å | 1.40Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| O12 | C38 | sing | 1.43Å | 1.46Å | |
| O12 | C2 | sing | 1.44Å | 1.42Å | |
| C38 | O14 | sing | 1.43Å | 1.40Å | |
| C3 | N1 | sing | 1.49Å | 1.47Å | |
| C3 | C2 | sing | 1.52Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| N1 | C4 | sing | 1.49Å | 1.50Å | |
| O1 | C1 | sing | 1.43Å | 1.36Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C41 | O13 | sing | 1.43Å | 1.43Å | |
| C41 | C56 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.52Å | 1.56Å | |
| O14 | C56 | sing | 1.43Å | 1.41Å | |
| C1 | C58 | sing | 1.53Å | 1.54Å | |
| C1 | C14 | sing | 1.54Å | 1.53Å | |
| C42 | O13 | sing | 1.43Å | 1.44Å | |
| C42 | C43 | sing | 1.51Å | 1.59Å | |
| C35 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.54Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C57 | O15 | sing | 1.43Å | 1.41Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C14 | O2 | sing | 1.45Å | 1.43Å | |
| C43 | C44 | doub | 1.38Å | 1.32Å | Aromatic |
| C43 | C55 | sing | 1.38Å | 1.54Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| O11 | C7 | sing | 1.45Å | 1.40Å | |
| C8 | C7 | sing | 1.52Å | 1.52Å | |
| C44 | C45 | sing | 1.38Å | 1.55Å | Aromatic |
| C6 | C7 | sing | 1.52Å | 1.61Å | |
| C7 | C9 | sing | 1.52Å | 1.55Å | |
| O2 | C13 | sing | 1.34Å | 1.48Å | |
| C55 | C54 | doub | 1.38Å | 1.34Å | Aromatic |
| C45 | C46 | doub | 1.39Å | 1.32Å | Aromatic |
| O3 | C13 | doub | 1.21Å | 1.18Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C9 | C10 | sing | 1.52Å | 1.56Å | |
| C9 | O8 | sing | 1.44Å | 1.40Å | |
| C54 | C46 | sing | 1.39Å | 1.53Å | Aromatic |
| C46 | N3 | sing | 1.40Å | 1.47Å | |
| C10 | C11 | sing | 1.54Å | 1.51Å | |
| C10 | C26 | sing | 1.53Å | 1.53Å | |
| O8 | C27 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | O4 | sing | 1.43Å | 1.41Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| O9 | C27 | sing | 1.43Å | 1.38Å | |
| O9 | C31 | sing | 1.43Å | 1.43Å | |
| C12 | C17 | sing | 1.53Å | 1.51Å | |
| C25 | C19 | sing | 1.53Å | 1.49Å | |
| O5 | C18 | sing | 1.42Å | 1.39Å | |
| O5 | C19 | sing | 1.42Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| N3 | N6 | sing | 1.40Å | 1.28Å | Aromatic |
| N3 | C47 | sing | 1.36Å | 1.33Å | Aromatic |
| O4 | C18 | sing | 1.43Å | 1.45Å | |
| C18 | C23 | sing | 1.53Å | 1.50Å | |
| C19 | C20 | sing | 1.52Å | 1.55Å | |
| N6 | N5 | doub | 1.29Å | 1.40Å | Aromatic |
| C28 | O10 | sing | 1.43Å | 1.39Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C47 | C48 | doub | 1.36Å | 1.43Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.50Å | |
| C29 | N2 | sing | 1.47Å | 1.47Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C33 | N2 | sing | 1.47Å | 1.46Å | |
| C20 | O7 | sing | 1.44Å | 1.38Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| N5 | C48 | sing | 1.34Å | 1.48Å | Aromatic |
| C48 | C49 | sing | 1.48Å | 1.53Å | |
| C21 | O6 | sing | 1.44Å | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| N2 | C34 | sing | 1.47Å | 1.44Å | |
| O6 | C24 | sing | 1.43Å | 1.42Å | |
| C49 | C50 | doub | 1.40Å | 1.38Å | Aromatic |
| C49 | C53 | sing | 1.40Å | 1.38Å | Aromatic |
| C50 | C51 | sing | 1.38Å | 1.38Å | Aromatic |
| C53 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C51 | N4 | doub | 1.32Å | 1.32Å | Aromatic |
| N4 | C52 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.10Å | |
| C5 | H4 | sing | 1.12Å | 1.10Å | |
| C6 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.11Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.10Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.11Å | 1.10Å | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C39 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C44 | H71 | sing | 1.08Å | 1.08Å | |
| C45 | H72 | sing | 1.08Å | 1.08Å | |
| C47 | H73 | sing | 1.08Å | 1.08Å | |
| C50 | H74 | sing | 1.08Å | 1.08Å | |
| C51 | H75 | sing | 1.08Å | 1.08Å | |
| C52 | H76 | sing | 1.08Å | 1.08Å | |
| C53 | H77 | sing | 1.08Å | 1.08Å | |
| C54 | H78 | sing | 1.08Å | 1.08Å | |
| C55 | H79 | sing | 1.08Å | 1.08Å | |
| C56 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | H81 | sing | 1.09Å | 1.10Å | |
| C57 | H82 | sing | 1.09Å | 1.10Å | |
| C58 | H83 | sing | 1.09Å | 1.10Å | |
| C58 | H84 | sing | 1.09Å | 1.10Å | |
| C58 | H85 | sing | 1.09Å | 1.10Å | |
| C9 | H86 | sing | 1.10Å | 1.10Å | |
| O1 | H88 | sing | 0.97Å | 0.95Å | |
| O10 | H89 | sing | 0.97Å | 0.95Å | |
| O11 | H90 | sing | 0.97Å | 0.95Å | |
| O15 | H91 | sing | 0.97Å | 0.95Å | |
| O16 | H92 | sing | 0.97Å | 0.95Å | |
| O17 | H93 | sing | 0.97Å | 0.95Å | |
| O7 | H94 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C3 | N1 | 111.0° | 108.5° |
| C37 | C3 | C2 | 110.6° | 109.8° |
| C37 | C3 | H43 | 107.7° | 108.7° |
| C3 | C37 | H62 | 109.5° | 109.5° |
| C3 | C37 | H63 | 109.5° | 109.5° |
| C3 | C37 | H64 | 109.5° | 109.5° |
| C36 | N1 | C3 | 110.0° | 107.0° |
| C36 | N1 | C4 | 108.0° | 107.4° |
| N1 | C36 | H59 | 109.5° | 109.4° |
| N1 | C36 | H60 | 109.5° | 109.5° |
| N1 | C36 | H61 | 109.5° | 109.5° |
| O16 | C40 | C39 | 105.0° | 109.6° |
| O16 | C40 | C41 | 110.1° | 109.5° |
| O16 | C40 | H67 | 111.5° | 109.6° |
| C40 | O16 | H92 | 109.5° | 114.0° |
| O17 | C39 | C38 | 109.4° | 109.5° |
| O17 | C39 | C40 | 109.9° | 109.5° |
| O17 | C39 | H66 | 109.0° | 109.5° |
| C39 | O17 | H93 | 109.5° | 114.0° |
| C38 | C39 | C40 | 114.0° | 109.2° |
| C39 | C38 | O12 | 108.9° | 109.5° |
| C39 | C38 | O14 | 113.3° | 109.4° |
| C39 | C38 | H65 | 107.0° | 109.5° |
| C38 | C39 | H66 | 107.2° | 109.5° |
| C39 | C40 | C41 | 110.5° | 109.0° |
| C40 | C39 | H66 | 107.3° | 109.6° |
| C39 | C40 | H67 | 109.7° | 109.5° |
| C38 | O12 | C2 | 118.4° | 114.0° |
| O12 | C38 | O14 | 110.8° | 109.4° |
| O12 | C38 | H65 | 107.9° | 109.5° |
| O12 | C2 | C3 | 106.8° | 108.7° |
| O12 | C2 | C1 | 111.0° | 108.3° |
| O12 | C2 | H35 | 111.8° | 108.9° |
| C38 | O14 | C56 | 119.8° | 114.1° |
| O14 | C38 | H65 | 108.7° | 109.5° |
| N1 | C3 | C2 | 111.4° | 111.5° |
| C3 | N1 | C4 | 108.1° | 109.8° |
| N1 | C3 | H43 | 108.3° | 107.8° |
| C3 | C2 | C1 | 107.0° | 111.1° |
| C3 | C2 | H35 | 110.4° | 111.0° |
| C2 | C3 | H43 | 107.7° | 110.5° |
| C40 | C41 | O13 | 114.5° | 109.5° |
| C40 | C41 | C56 | 110.4° | 109.1° |
| C41 | C40 | H67 | 109.9° | 109.5° |
| C40 | C41 | H68 | 108.0° | 109.5° |
| N1 | C4 | C5 | 109.3° | 109.4° |
| N1 | C4 | H2 | 109.5° | 108.6° |
| N1 | C4 | H3 | 109.5° | 107.5° |
| O1 | C1 | C2 | 109.5° | 110.2° |
| O1 | C1 | C58 | 109.3° | 109.9° |
| O1 | C1 | C14 | 109.0° | 109.3° |
| C1 | O1 | H88 | 109.5° | 114.0° |
| C2 | C1 | C58 | 110.0° | 110.1° |
| C2 | C1 | C14 | 110.7° | 108.9° |
| C1 | C2 | H35 | 109.8° | 108.8° |
| O13 | C41 | C56 | 106.9° | 109.5° |
| C41 | O13 | C42 | 119.1° | 114.0° |
| O13 | C41 | H68 | 109.2° | 109.5° |
| C41 | C56 | O14 | 113.1° | 109.4° |
| C41 | C56 | C57 | 109.2° | 109.5° |
| C56 | C41 | H68 | 107.7° | 109.6° |
| C41 | C56 | H80 | 107.6° | 109.5° |
| C4 | C5 | C35 | 108.3° | 112.0° |
| C4 | C5 | C6 | 107.7° | 114.2° |
| C5 | C4 | H2 | 109.5° | 108.9° |
| C5 | C4 | H3 | 109.5° | 111.8° |
| C4 | C5 | H4 | 110.1° | 106.0° |
| O14 | C56 | C57 | 109.6° | 109.5° |
| O14 | C56 | H80 | 109.3° | 109.5° |
| C58 | C1 | C14 | 108.4° | 108.5° |
| C1 | C58 | H83 | 109.5° | 109.4° |
| C1 | C58 | H84 | 109.5° | 109.4° |
| C1 | C58 | H85 | 109.5° | 109.5° |
| C1 | C14 | C15 | 108.5° | 109.0° |
| C1 | C14 | O2 | 108.8° | 108.8° |
| C1 | C14 | H29 | 109.2° | 109.6° |
| O13 | C42 | C43 | 109.3° | 109.5° |
| O13 | C42 | H69 | 109.5° | 109.5° |
| O13 | C42 | H70 | 109.5° | 109.4° |
| C42 | C43 | C44 | 119.6° | 120.0° |
| C42 | C43 | C55 | 120.1° | 119.9° |
| C43 | C42 | H69 | 109.5° | 109.5° |
| C43 | C42 | H70 | 109.5° | 109.5° |
| C35 | C5 | C6 | 109.5° | 111.7° |
| C35 | C5 | H4 | 110.8° | 105.7° |
| C5 | C35 | H56 | 109.5° | 109.5° |
| C5 | C35 | H57 | 109.4° | 109.5° |
| C5 | C35 | H58 | 109.4° | 109.5° |
| C5 | C6 | C7 | 111.3° | 117.6° |
| C6 | C5 | H4 | 110.4° | 106.5° |
| C5 | C6 | H5 | 109.0° | 108.7° |
| C5 | C6 | H6 | 109.0° | 108.6° |
| C56 | C57 | O15 | 109.8° | 109.5° |
| C57 | C56 | H80 | 107.9° | 109.4° |
| C56 | C57 | H81 | 109.4° | 109.5° |
| C56 | C57 | H82 | 109.4° | 109.4° |
| O15 | C57 | H81 | 109.4° | 109.5° |
| O15 | C57 | H82 | 109.4° | 109.5° |
| C57 | O15 | H91 | 109.5° | 114.0° |
| C15 | C14 | O2 | 110.1° | 109.5° |
| C14 | C15 | C16 | 109.1° | 109.5° |
| C14 | C15 | H11 | 109.6° | 109.5° |
| C14 | C15 | H12 | 109.6° | 109.4° |
| C15 | C14 | H29 | 109.6° | 109.5° |
| C14 | O2 | C13 | 114.8° | 118.0° |
| O2 | C14 | H29 | 110.7° | 110.4° |
| C44 | C43 | C55 | 120.3° | 120.1° |
| C43 | C44 | C45 | 119.8° | 120.1° |
| C43 | C44 | H71 | 120.1° | 119.9° |
| C43 | C55 | C54 | 119.6° | 120.1° |
| C43 | C55 | H79 | 120.2° | 119.9° |
| C16 | C15 | H11 | 109.6° | 109.5° |
| C16 | C15 | H12 | 109.6° | 109.5° |
| C15 | C16 | H30 | 109.5° | 109.5° |
| C15 | C16 | H31 | 109.4° | 109.5° |
| C15 | C16 | H32 | 109.4° | 109.5° |
| O11 | C7 | C8 | 108.8° | 107.1° |
| O11 | C7 | C6 | 109.7° | 106.0° |
| O11 | C7 | C9 | 110.1° | 108.2° |
| C7 | O11 | H90 | 109.5° | 114.0° |
| C8 | C7 | C6 | 109.0° | 112.7° |
| C8 | C7 | C9 | 111.1° | 112.0° |
| C7 | C8 | H7 | 109.5° | 109.4° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.4° |
| C44 | C45 | C46 | 119.9° | 119.9° |
| C45 | C44 | H71 | 120.1° | 120.0° |
| C44 | C45 | H72 | 120.0° | 120.1° |
| C6 | C7 | C9 | 108.0° | 110.4° |
| C7 | C6 | H5 | 109.0° | 108.0° |
| C7 | C6 | H6 | 109.0° | 108.1° |
| C7 | C9 | C10 | 108.9° | 113.6° |
| C7 | C9 | O8 | 107.9° | 108.7° |
| C7 | C9 | H86 | 109.8° | 109.2° |
| O2 | C13 | O3 | 120.3° | 120.2° |
| O2 | C13 | C12 | 120.1° | 119.9° |
| C55 | C54 | C46 | 120.0° | 120.0° |
| C55 | C54 | H78 | 120.0° | 120.0° |
| C54 | C55 | H79 | 120.2° | 120.0° |
| C45 | C46 | C54 | 120.2° | 119.9° |
| C45 | C46 | N3 | 119.2° | 120.0° |
| C46 | C45 | H72 | 120.0° | 120.1° |
| O3 | C13 | C12 | 119.6° | 119.9° |
| C13 | C12 | C11 | 108.0° | 109.8° |
| C13 | C12 | C17 | 109.5° | 109.1° |
| C13 | C12 | H28 | 109.0° | 109.5° |
| C10 | C9 | O8 | 108.5° | 108.9° |
| C9 | C10 | C11 | 111.4° | 109.0° |
| C9 | C10 | C26 | 109.5° | 110.9° |
| C9 | C10 | H10 | 108.6° | 111.4° |
| C10 | C9 | H86 | 109.7° | 108.5° |
| C9 | O8 | C27 | 116.3° | 114.0° |
| O8 | C9 | H86 | 112.0° | 107.7° |
| C54 | C46 | N3 | 120.5° | 120.1° |
| C46 | C54 | H78 | 120.0° | 120.0° |
| C46 | N3 | N6 | 122.5° | 126.7° |
| C46 | N3 | C47 | 120.0° | 126.7° |
| C11 | C10 | C26 | 108.9° | 107.5° |
| C10 | C11 | C12 | 107.9° | 110.1° |
| C10 | C11 | O4 | 106.8° | 108.6° |
| C11 | C10 | H10 | 109.3° | 108.2° |
| C10 | C11 | H27 | 109.7° | 109.3° |
| C26 | C10 | H10 | 109.0° | 109.7° |
| C10 | C26 | H23 | 109.5° | 109.5° |
| C10 | C26 | H24 | 109.4° | 109.5° |
| C10 | C26 | H25 | 109.4° | 109.4° |
| O8 | C27 | O9 | 108.5° | 109.5° |
| O8 | C27 | C28 | 109.4° | 109.5° |
| O8 | C27 | H41 | 110.3° | 109.5° |
| C12 | C11 | O4 | 112.0° | 109.3° |
| C11 | C12 | C17 | 112.1° | 109.3° |
| C12 | C11 | H27 | 109.2° | 110.1° |
| C11 | C12 | H28 | 108.8° | 110.0° |
| C11 | O4 | C18 | 116.7° | 114.0° |
| O4 | C11 | H27 | 111.2° | 109.3° |
| C32 | C31 | O9 | 109.7° | 109.5° |
| C32 | C31 | C30 | 110.8° | 109.5° |
| C32 | C31 | H46 | 108.0° | 109.4° |
| C31 | C32 | H47 | 109.5° | 109.4° |
| C31 | C32 | H48 | 109.4° | 109.5° |
| C31 | C32 | H49 | 109.5° | 109.5° |
| C27 | O9 | C31 | 113.4° | 114.1° |
| O9 | C27 | C28 | 108.1° | 109.4° |
| O9 | C27 | H41 | 111.3° | 109.5° |
| O9 | C31 | C30 | 110.7° | 109.4° |
| O9 | C31 | H46 | 109.3° | 109.4° |
| C12 | C17 | H13 | 109.5° | 109.5° |
| C12 | C17 | H14 | 109.4° | 109.5° |
| C12 | C17 | H15 | 109.5° | 109.5° |
| C17 | C12 | H28 | 109.4° | 109.3° |
| C25 | C19 | O5 | 111.8° | 111.1° |
| C25 | C19 | C20 | 112.8° | 111.6° |
| C25 | C19 | H34 | 107.9° | 106.5° |
| C19 | C25 | H38 | 109.5° | 109.5° |
| C19 | C25 | H39 | 109.5° | 109.5° |
| C19 | C25 | H40 | 109.5° | 109.5° |
| C18 | O5 | C19 | 114.2° | 117.1° |
| O5 | C18 | O4 | 109.9° | 109.2° |
| O5 | C18 | C23 | 111.0° | 109.1° |
| O5 | C18 | H33 | 110.1° | 110.6° |
| O5 | C19 | C20 | 108.1° | 113.3° |
| O5 | C19 | H34 | 108.9° | 106.9° |
| C27 | C28 | O10 | 110.6° | 109.5° |
| C27 | C28 | C29 | 108.1° | 109.1° |
| C27 | C28 | H26 | 108.9° | 109.6° |
| C28 | C27 | H41 | 109.2° | 109.5° |
| C31 | C30 | C29 | 111.2° | 109.2° |
| C31 | C30 | H44 | 109.0° | 109.5° |
| C31 | C30 | H45 | 109.1° | 109.6° |
| C30 | C31 | H46 | 108.4° | 109.5° |
| N6 | N3 | C47 | 117.4° | 106.6° |
| N3 | N6 | N5 | 107.2° | 108.3° |
| N3 | C47 | C48 | 104.7° | 106.8° |
| N3 | C47 | H73 | 127.6° | 126.5° |
| O4 | C18 | C23 | 108.0° | 108.9° |
| O4 | C18 | H33 | 109.2° | 108.6° |
| C18 | C23 | C21 | 114.6° | 109.6° |
| C23 | C18 | H33 | 108.6° | 110.4° |
| C18 | C23 | H36 | 108.2° | 109.5° |
| C18 | C23 | H37 | 108.2° | 109.4° |
| C19 | C20 | O7 | 109.7° | 109.2° |
| C19 | C20 | C21 | 107.0° | 113.8° |
| C19 | C20 | H16 | 108.9° | 108.6° |
| C20 | C19 | H34 | 107.2° | 107.0° |
| N6 | N5 | C48 | 105.4° | 109.7° |
| O10 | C28 | C29 | 109.5° | 109.6° |
| O10 | C28 | H26 | 110.8° | 109.5° |
| C28 | O10 | H89 | 109.5° | 114.0° |
| C28 | C29 | C30 | 110.2° | 109.1° |
| C28 | C29 | N2 | 112.5° | 109.5° |
| C29 | C28 | H26 | 108.8° | 109.5° |
| C28 | C29 | H42 | 106.8° | 109.5° |
| C47 | C48 | N5 | 105.3° | 108.7° |
| C47 | C48 | C49 | 127.1° | 125.7° |
| C48 | C47 | H73 | 127.7° | 126.7° |
| C30 | C29 | N2 | 112.3° | 109.5° |
| C30 | C29 | H42 | 107.2° | 109.6° |
| C29 | C30 | H44 | 109.1° | 109.6° |
| C29 | C30 | H45 | 109.0° | 109.6° |
| C29 | N2 | C33 | 110.8° | 111.0° |
| C29 | N2 | C34 | 108.5° | 111.0° |
| N2 | C29 | H42 | 107.5° | 109.5° |
| C23 | C21 | C20 | 109.4° | 110.6° |
| C23 | C21 | O6 | 109.8° | 107.8° |
| C23 | C21 | C22 | 110.0° | 110.6° |
| C21 | C23 | H36 | 108.2° | 109.6° |
| C21 | C23 | H37 | 108.2° | 109.5° |
| C33 | N2 | C34 | 109.7° | 110.9° |
| N2 | C33 | H50 | 109.5° | 109.5° |
| N2 | C33 | H51 | 109.5° | 109.5° |
| N2 | C33 | H52 | 109.5° | 109.4° |
| O7 | C20 | C21 | 110.7° | 109.1° |
| O7 | C20 | H16 | 111.3° | 107.4° |
| C20 | O7 | H94 | 109.5° | 114.0° |
| C20 | C21 | O6 | 108.2° | 108.1° |
| C20 | C21 | C22 | 109.4° | 111.7° |
| C21 | C20 | H16 | 109.1° | 108.4° |
| N5 | C48 | C49 | 127.6° | 125.7° |
| C48 | C49 | C50 | 120.2° | 120.9° |
| C48 | C49 | C53 | 121.2° | 120.9° |
| O6 | C21 | C22 | 110.1° | 107.9° |
| C21 | O6 | C24 | 114.9° | 114.0° |
| C21 | C22 | H17 | 109.5° | 109.5° |
| C21 | C22 | H18 | 109.5° | 109.5° |
| C21 | C22 | H19 | 109.5° | 109.4° |
| N2 | C34 | H53 | 109.5° | 109.4° |
| N2 | C34 | H54 | 109.5° | 109.5° |
| N2 | C34 | H55 | 109.4° | 109.5° |
| O6 | C24 | H20 | 109.5° | 109.5° |
| O6 | C24 | H21 | 109.5° | 109.5° |
| O6 | C24 | H22 | 109.5° | 109.4° |
| C50 | C49 | C53 | 118.6° | 118.2° |
| C49 | C50 | C51 | 119.9° | 119.0° |
| C49 | C50 | H74 | 120.1° | 120.5° |
| C49 | C53 | C52 | 119.5° | 119.0° |
| C49 | C53 | H77 | 120.2° | 120.5° |
| C50 | C51 | N4 | 120.6° | 120.9° |
| C51 | C50 | H74 | 120.1° | 120.5° |
| C50 | C51 | H75 | 119.7° | 119.5° |
| C53 | C52 | N4 | 120.3° | 120.9° |
| C53 | C52 | H76 | 119.8° | 119.5° |
| C52 | C53 | H77 | 120.3° | 120.5° |
| C51 | N4 | C52 | 121.1° | 122.0° |
| N4 | C51 | H75 | 119.7° | 119.6° |
| N4 | C52 | H76 | 119.9° | 119.6° |
| H2 | C4 | H3 | 109.5° | 110.6° |
| H5 | C6 | H6 | 109.5° | 105.2° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H13 | C17 | H14 | 109.4° | 109.4° |
| H13 | C17 | H15 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 109.4° |
| H17 | C22 | H18 | 109.5° | 109.4° |
| H17 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.4° | 109.5° |
| H20 | C24 | H22 | 109.4° | 109.5° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H25 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| H30 | C16 | H32 | 109.5° | 109.5° |
| H31 | C16 | H32 | 109.5° | 109.4° |
| H36 | C23 | H37 | 109.5° | 109.2° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| H38 | C25 | H40 | 109.4° | 109.4° |
| H39 | C25 | H40 | 109.5° | 109.5° |
| H44 | C30 | H45 | 109.5° | 109.5° |
| H47 | C32 | H48 | 109.5° | 109.5° |
| H47 | C32 | H49 | 109.4° | 109.5° |
| H48 | C32 | H49 | 109.5° | 109.5° |
| H50 | C33 | H51 | 109.5° | 109.5° |
| H50 | C33 | H52 | 109.4° | 109.5° |
| H51 | C33 | H52 | 109.5° | 109.5° |
| H53 | C34 | H54 | 109.5° | 109.5° |
| H53 | C34 | H55 | 109.4° | 109.5° |
| H54 | C34 | H55 | 109.5° | 109.5° |
| H56 | C35 | H57 | 109.5° | 109.4° |
| H56 | C35 | H58 | 109.5° | 109.5° |
| H57 | C35 | H58 | 109.5° | 109.4° |
| H59 | C36 | H60 | 109.4° | 109.5° |
| H59 | C36 | H61 | 109.5° | 109.5° |
| H60 | C36 | H61 | 109.5° | 109.5° |
| H62 | C37 | H63 | 109.4° | 109.5° |
| H62 | C37 | H64 | 109.5° | 109.4° |
| H63 | C37 | H64 | 109.5° | 109.5° |
| H69 | C42 | H70 | 109.5° | 109.5° |
| H81 | C57 | H82 | 109.5° | 109.4° |
| H83 | C58 | H84 | 109.4° | 109.5° |
| H83 | C58 | H85 | 109.5° | 109.4° |
| H84 | C58 | H85 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C3 | N1 | C36 | 6.0° | 153.4° |
| C37 | C3 | C2 | O12 | 16.9° | 12.7° |
| C37 | C3 | N1 | C2 | 123.7° | 121.1° |
| C37 | C3 | N1 | H43 | 118.0° | 117.5° |
| C37 | C3 | C2 | H43 | 117.4° | 119.8° |
| C37 | C3 | N1 | C4 | 111.7° | 90.3° |
| C37 | C3 | C2 | C1 | 102.0° | 106.3° |
| C37 | C3 | C2 | H35 | 138.6° | 132.5° |
| C3 | C37 | H62 | H63 | 120.0° | 120.0° |
| C3 | C37 | H62 | H64 | 120.0° | 120.0° |
| C3 | C37 | H63 | H64 | 120.0° | 120.1° |
| C36 | N1 | C3 | C4 | 117.7° | 116.3° |
| C36 | N1 | C3 | C2 | 117.7° | 85.5° |
| C36 | N1 | C4 | C5 | 75.6° | 109.1° |
| C36 | N1 | C4 | H2 | 164.4° | 132.2° |
| C36 | N1 | C4 | H3 | 44.4° | 12.5° |
| C36 | N1 | C3 | H43 | 124.0° | 35.9° |
| N1 | C36 | H59 | H60 | 120.0° | 120.0° |
| N1 | C36 | H59 | H61 | 120.0° | 120.0° |
| N1 | C36 | H60 | H61 | 120.0° | 120.0° |
| O16 | C40 | C39 | O17 | 98.5° | 63.2° |
| O16 | C40 | C39 | C38 | 138.4° | 176.8° |
| O16 | C40 | C39 | C41 | 118.7° | 119.8° |
| O16 | C40 | C39 | H67 | 120.0° | 120.3° |
| O16 | C40 | C41 | H67 | 123.3° | 120.3° |
| O16 | C40 | C41 | O13 | 66.3° | 63.2° |
| O16 | C40 | C41 | C56 | 173.0° | 176.9° |
| O16 | C40 | C39 | H66 | 19.9° | 56.9° |
| O16 | C40 | C41 | H68 | 55.5° | 56.9° |
| O17 | C39 | C38 | C40 | 123.5° | 119.9° |
| O17 | C39 | C38 | H66 | 118.0° | 120.1° |
| O17 | C39 | C40 | H66 | 118.4° | 120.1° |
| O17 | C39 | C38 | O12 | 32.6° | 57.6° |
| O17 | C39 | C38 | O14 | 91.2° | 177.5° |
| O17 | C39 | C40 | C41 | 142.9° | 176.9° |
| O17 | C39 | C38 | H65 | 149.0° | 62.5° |
| O17 | C39 | C40 | H67 | 21.5° | 57.1° |
| C38 | C39 | C40 | H66 | 118.5° | 120.0° |
| C39 | C38 | O12 | O14 | 125.3° | 119.9° |
| C39 | C38 | O12 | H65 | 115.8° | 120.1° |
| C39 | C38 | O12 | C2 | 95.2° | 159.7° |
| C39 | C38 | O14 | H65 | 118.8° | 120.0° |
| C38 | C39 | C40 | C41 | 19.7° | 57.0° |
| C39 | C38 | O14 | C56 | 49.8° | 61.1° |
| C38 | C39 | C40 | H67 | 101.7° | 62.9° |
| C38 | C39 | O17 | H93 | 180.0° | 63.1° |
| C40 | C39 | C38 | O12 | 156.1° | 62.3° |
| C40 | C39 | C38 | O14 | 32.3° | 57.6° |
| C39 | C40 | C41 | H67 | 121.2° | 119.9° |
| C39 | C40 | C41 | O13 | 178.2° | 176.9° |
| C39 | C40 | C41 | C56 | 57.5° | 57.0° |
| C40 | C39 | C38 | H65 | 87.5° | 177.6° |
| C39 | C40 | C41 | H68 | 60.0° | 63.0° |
| C39 | C40 | O16 | H92 | 180.0° | 65.0° |
| C40 | C39 | O17 | H93 | 54.2° | 177.2° |
| O12 | C38 | O14 | H65 | 118.5° | 120.0° |
| C38 | O12 | C2 | C3 | 141.6° | 77.3° |
| C38 | O12 | C2 | C1 | 102.2° | 161.9° |
| O12 | C38 | O14 | C56 | 172.5° | 58.8° |
| C38 | O12 | C2 | H35 | 20.8° | 43.7° |
| O12 | C38 | C39 | H66 | 85.4° | 177.7° |
| C2 | O12 | C38 | O14 | 30.1° | 80.4° |
| O12 | C2 | C3 | N1 | 107.0° | 107.5° |
| O12 | C2 | C3 | C1 | 118.9° | 119.1° |
| O12 | C2 | C3 | H35 | 121.7° | 119.8° |
| O12 | C2 | C1 | O1 | 22.1° | 70.3° |
| O12 | C2 | C1 | H35 | 124.1° | 118.2° |
| O12 | C2 | C1 | C58 | 142.2° | 168.5° |
| O12 | C2 | C1 | C14 | 98.1° | 49.7° |
| O12 | C2 | C3 | H43 | 134.3° | 132.6° |
| C2 | O12 | C38 | H65 | 149.0° | 39.6° |
| C38 | O14 | C56 | C41 | 10.3° | 61.2° |
| C38 | O14 | C56 | C57 | 111.8° | 178.8° |
| O14 | C38 | C39 | H66 | 150.8° | 62.4° |
| C38 | O14 | C56 | H80 | 130.2° | 58.9° |
| N1 | C3 | C2 | H43 | 118.7° | 119.9° |
| N1 | C3 | C2 | C1 | 134.0° | 133.4° |
| C3 | N1 | C4 | C5 | 165.4° | 134.9° |
| C3 | N1 | C4 | H2 | 45.5° | 16.2° |
| C3 | N1 | C4 | H3 | 74.6° | 103.5° |
| N1 | C3 | C2 | H35 | 14.7° | 12.2° |
| C3 | N1 | C36 | H59 | 180.0° | 53.8° |
| C3 | N1 | C36 | H60 | 60.0° | 66.2° |
| C3 | N1 | C36 | H61 | 60.0° | 173.8° |
| N1 | C3 | C37 | H62 | 180.0° | 80.0° |
| N1 | C3 | C37 | H63 | 60.0° | 160.0° |
| N1 | C3 | C37 | H64 | 60.0° | 39.9° |
| C2 | C3 | N1 | C4 | 124.6° | 30.7° |
| C3 | C2 | C1 | O1 | 94.0° | 49.1° |
| C3 | C2 | C1 | H35 | 119.7° | 122.4° |
| C3 | C2 | C1 | C58 | 26.1° | 72.2° |
| C3 | C2 | C1 | C14 | 145.8° | 169.0° |
| C2 | C3 | C37 | H62 | 55.8° | 157.9° |
| C2 | C3 | C37 | H63 | 64.1° | 37.9° |
| C2 | C3 | C37 | H64 | 175.9° | 82.2° |
| C40 | C41 | O13 | C56 | 122.6° | 119.6° |
| C40 | C41 | O13 | H68 | 121.2° | 120.1° |
| C40 | C41 | C56 | H68 | 117.7° | 119.9° |
| C40 | C41 | C56 | O14 | 44.4° | 57.6° |
| C40 | C41 | O13 | C42 | 15.4° | 90.0° |
| C40 | C41 | C56 | C57 | 166.7° | 177.6° |
| C41 | C40 | C39 | H66 | 98.8° | 63.0° |
| C40 | C41 | C56 | H80 | 76.4° | 62.4° |
| C41 | C40 | O16 | H92 | 61.1° | 175.4° |
| N1 | C4 | C5 | H2 | 120.0° | 118.5° |
| N1 | C4 | C5 | H3 | 120.0° | 119.0° |
| N1 | C4 | C5 | C35 | 145.7° | 64.0° |
| N1 | C4 | C5 | C6 | 95.9° | 167.7° |
| N1 | C4 | H2 | H3 | 120.1° | 117.7° |
| N1 | C4 | C5 | H4 | 24.4° | 50.8° |
| C4 | N1 | C3 | H43 | 6.3° | 152.2° |
| C4 | N1 | C36 | H59 | 62.2° | 64.0° |
| C4 | N1 | C36 | H60 | 57.8° | 176.0° |
| C4 | N1 | C36 | H61 | 177.8° | 56.0° |
| O1 | C1 | C2 | C58 | 120.1° | 121.3° |
| O1 | C1 | C2 | C14 | 120.2° | 119.9° |
| O1 | C1 | C58 | C14 | 118.6° | 119.5° |
| O1 | C1 | C14 | C15 | 40.0° | 61.5° |
| O1 | C1 | C14 | O2 | 159.8° | 179.1° |
| O1 | C1 | C14 | H29 | 79.3° | 58.3° |
| O1 | C1 | C2 | H35 | 146.2° | 171.5° |
| O1 | C1 | C58 | H83 | 180.0° | 59.5° |
| O1 | C1 | C58 | H84 | 60.0° | 60.5° |
| O1 | C1 | C58 | H85 | 60.0° | 179.4° |
| C2 | C1 | C58 | C14 | 121.1° | 119.1° |
| C2 | C1 | C14 | C15 | 160.5° | 178.0° |
| C2 | C1 | C14 | O2 | 79.7° | 58.6° |
| C2 | C1 | C14 | H29 | 41.1° | 62.1° |
| C1 | C2 | C3 | H43 | 15.4° | 13.5° |
| C2 | C1 | C58 | H83 | 59.8° | 179.1° |
| C2 | C1 | C58 | H84 | 179.7° | 61.0° |
| C2 | C1 | C58 | H85 | 60.2° | 59.1° |
| C2 | C1 | O1 | H88 | 180.0° | 178.6° |
| O13 | C41 | C56 | H68 | 117.2° | 120.2° |
| O13 | C41 | C56 | O14 | 169.5° | 177.5° |
| C41 | O13 | C42 | C43 | 138.4° | 180.0° |
| O13 | C41 | C56 | C57 | 68.2° | 62.5° |
| O13 | C41 | C40 | H67 | 57.0° | 57.0° |
| C41 | O13 | C42 | H69 | 18.4° | 60.0° |
| C41 | O13 | C42 | H70 | 101.6° | 60.0° |
| O13 | C41 | C56 | H80 | 48.7° | 57.5° |
| C41 | C56 | O14 | C57 | 122.1° | 120.0° |
| C41 | C56 | O14 | H80 | 119.9° | 120.0° |
| C56 | C41 | O13 | C42 | 138.0° | 150.3° |
| C41 | C56 | C57 | H80 | 116.7° | 120.0° |
| C41 | C56 | C57 | O15 | 171.2° | 173.8° |
| C56 | C41 | C40 | H67 | 63.7° | 62.9° |
| C41 | C56 | C57 | H81 | 51.1° | 53.7° |
| C41 | C56 | C57 | H82 | 68.8° | 66.2° |
| C4 | C5 | C35 | C6 | 117.2° | 129.5° |
| C4 | C5 | C35 | H4 | 120.8° | 115.0° |
| C4 | C5 | C6 | H4 | 120.2° | 116.7° |
| C4 | C5 | C6 | C7 | 109.7° | 40.5° |
| C5 | C4 | H2 | H3 | 120.1° | 123.3° |
| C4 | C5 | C6 | H5 | 10.6° | 163.5° |
| C4 | C5 | C6 | H6 | 130.0° | 82.6° |
| C4 | C5 | C35 | H56 | 180.0° | 60.0° |
| C4 | C5 | C35 | H57 | 60.0° | 180.0° |
| C4 | C5 | C35 | H58 | 60.0° | 60.0° |
| O14 | C56 | C57 | H80 | 118.9° | 120.0° |
| O14 | C56 | C57 | O15 | 64.4° | 66.3° |
| C56 | O14 | C38 | H65 | 69.0° | 178.8° |
| O14 | C56 | C41 | H68 | 73.3° | 62.3° |
| O14 | C56 | C57 | H81 | 175.5° | 173.7° |
| O14 | C56 | C57 | H82 | 55.6° | 53.7° |
| C58 | C1 | C14 | C15 | 78.8° | 58.2° |
| C58 | C1 | C14 | O2 | 41.0° | 61.1° |
| C58 | C1 | C14 | H29 | 161.8° | 178.1° |
| C58 | C1 | C2 | H35 | 93.7° | 50.3° |
| C1 | C58 | H83 | H84 | 120.0° | 120.0° |
| C1 | C58 | H83 | H85 | 120.0° | 119.9° |
| C1 | C58 | H84 | H85 | 120.0° | 120.0° |
| C58 | C1 | O1 | H88 | 59.5° | 60.0° |
| C1 | C14 | C15 | O2 | 118.9° | 118.9° |
| C1 | C14 | C15 | H29 | 119.1° | 119.9° |
| C1 | C14 | O2 | H29 | 120.0° | 120.3° |
| C1 | C14 | C15 | C16 | 163.6° | 175.0° |
| C1 | C14 | O2 | C13 | 145.5° | 108.9° |
| C1 | C14 | C15 | H11 | 43.7° | 54.9° |
| C1 | C14 | C15 | H12 | 76.4° | 65.0° |
| C14 | C1 | C2 | H35 | 26.1° | 68.5° |
| C14 | C1 | C58 | H83 | 61.4° | 60.0° |
| C14 | C1 | C58 | H84 | 58.6° | 180.0° |
| C14 | C1 | C58 | H85 | 178.6° | 59.9° |
| C14 | C1 | O1 | H88 | 58.8° | 58.9° |
| O13 | C42 | C43 | H69 | 120.0° | 120.0° |
| O13 | C42 | C43 | H70 | 120.0° | 120.0° |
| O13 | C42 | C43 | C44 | 149.9° | 90.0° |
| O13 | C42 | C43 | C55 | 30.0° | 90.3° |
| C42 | O13 | C41 | H68 | 105.7° | 30.1° |
| O13 | C42 | H69 | H70 | 120.1° | 120.0° |
| C42 | C43 | C44 | C55 | 179.9° | 179.7° |
| C42 | C43 | C44 | C45 | 179.9° | 180.0° |
| C42 | C43 | C55 | C54 | 179.7° | 179.7° |
| C43 | C42 | H69 | H70 | 120.0° | 120.0° |
| C42 | C43 | C44 | H71 | 0.2° | 0.1° |
| C42 | C43 | C55 | H79 | 0.3° | 0.1° |
| C35 | C5 | C6 | H4 | 122.2° | 115.0° |
| C35 | C5 | C6 | C7 | 132.7° | 87.9° |
| C35 | C5 | C4 | H2 | 94.3° | 177.5° |
| C35 | C5 | C4 | H3 | 25.8° | 54.9° |
| C35 | C5 | C6 | H5 | 107.0° | 35.1° |
| C35 | C5 | C6 | H6 | 12.4° | 149.1° |
| C5 | C35 | H56 | H57 | 120.0° | 120.0° |
| C5 | C35 | H56 | H58 | 120.0° | 120.1° |
| C5 | C35 | H57 | H58 | 120.0° | 120.0° |
| C5 | C6 | C7 | O11 | 69.1° | 158.8° |
| C5 | C6 | C7 | C8 | 50.0° | 42.0° |
| C5 | C6 | C7 | H5 | 120.3° | 123.3° |
| C5 | C6 | C7 | H6 | 120.3° | 123.3° |
| C5 | C6 | C7 | C9 | 170.8° | 84.2° |
| C6 | C5 | C4 | H2 | 24.1° | 49.2° |
| C6 | C5 | C4 | H3 | 144.1° | 73.3° |
| C5 | C6 | H5 | H6 | 119.2° | 116.1° |
| C6 | C5 | C35 | H56 | 62.8° | 170.4° |
| C6 | C5 | C35 | H57 | 57.2° | 50.5° |
| C6 | C5 | C35 | H58 | 177.2° | 69.5° |
| C56 | C57 | O15 | H81 | 120.1° | 120.1° |
| C56 | C57 | O15 | H82 | 120.0° | 120.0° |
| C57 | C56 | C41 | H68 | 49.0° | 57.7° |
| C56 | C57 | H81 | H82 | 119.9° | 119.9° |
| C56 | C57 | O15 | H91 | 9.7° | 179.9° |
| O15 | C57 | C56 | H80 | 54.4° | 53.7° |
| O15 | C57 | H81 | H82 | 119.8° | 120.0° |
| C15 | C14 | O2 | H29 | 121.3° | 120.6° |
| C14 | C15 | C16 | H11 | 119.9° | 120.1° |
| C14 | C15 | C16 | H12 | 119.9° | 119.9° |
| C15 | C14 | O2 | C13 | 95.7° | 132.0° |
| C14 | C15 | H11 | H12 | 120.2° | 119.9° |
| C14 | C15 | C16 | H30 | 180.0° | 59.9° |
| C14 | C15 | C16 | H31 | 60.0° | 60.1° |
| C14 | C15 | C16 | H32 | 60.0° | 180.0° |
| O2 | C14 | C15 | C16 | 77.5° | 66.1° |
| C14 | O2 | C13 | O3 | 5.9° | 6.8° |
| C14 | O2 | C13 | C12 | 174.3° | 173.7° |
| O2 | C14 | C15 | H11 | 162.6° | 173.9° |
| O2 | C14 | C15 | H12 | 42.5° | 53.9° |
| C43 | C44 | C45 | H71 | 180.0° | 179.9° |
| C44 | C43 | C55 | C54 | 0.2° | 0.7° |
| C43 | C44 | C45 | C46 | 1.1° | 0.1° |
| C44 | C43 | C42 | H69 | 29.9° | 150.0° |
| C44 | C43 | C42 | H70 | 90.1° | 29.9° |
| C43 | C44 | C45 | H72 | 178.9° | 179.9° |
| C44 | C43 | C55 | H79 | 179.8° | 179.7° |
| C55 | C43 | C44 | C45 | 0.1° | 0.4° |
| C43 | C55 | C54 | H79 | 180.0° | 179.6° |
| C43 | C55 | C54 | C46 | 0.7° | 0.6° |
| C55 | C43 | C42 | H69 | 150.0° | 29.7° |
| C55 | C43 | C42 | H70 | 90.0° | 149.7° |
| C55 | C43 | C44 | H71 | 179.9° | 179.8° |
| C43 | C55 | C54 | H78 | 179.3° | 179.7° |
| C16 | C15 | H11 | H12 | 120.2° | 120.0° |
| C16 | C15 | C14 | H29 | 44.5° | 55.1° |
| C15 | C16 | H30 | H31 | 120.0° | 120.0° |
| C15 | C16 | H30 | H32 | 120.0° | 120.0° |
| C15 | C16 | H31 | H32 | 120.0° | 120.0° |
| O11 | C7 | C8 | C6 | 119.6° | 116.2° |
| O11 | C7 | C8 | C9 | 121.4° | 118.5° |
| O11 | C7 | C6 | C9 | 120.0° | 117.0° |
| O11 | C7 | C9 | C10 | 58.5° | 71.7° |
| O11 | C7 | C9 | O8 | 176.0° | 49.7° |
| O11 | C7 | C6 | H5 | 51.1° | 35.5° |
| O11 | C7 | C6 | H6 | 170.6° | 77.8° |
| O11 | C7 | C8 | H7 | 180.0° | 61.4° |
| O11 | C7 | C8 | H8 | 60.0° | 58.5° |
| O11 | C7 | C8 | H9 | 60.0° | 178.5° |
| O11 | C7 | C9 | H86 | 61.6° | 167.0° |
| C8 | C7 | C6 | C9 | 120.9° | 126.1° |
| C8 | C7 | C9 | C10 | 179.2° | 46.2° |
| C8 | C7 | C9 | O8 | 63.3° | 167.6° |
| C8 | C7 | C6 | H5 | 170.2° | 81.4° |
| C8 | C7 | C6 | H6 | 70.3° | 165.3° |
| C7 | C8 | H7 | H8 | 120.0° | 120.0° |
| C7 | C8 | H7 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C8 | C7 | C9 | H86 | 59.1° | 75.1° |
| C8 | C7 | O11 | H90 | 180.0° | 60.6° |
| C44 | C45 | C46 | H72 | 180.0° | 180.0° |
| C44 | C45 | C46 | C54 | 2.0° | 0.0° |
| C44 | C45 | C46 | N3 | 178.3° | 180.0° |
| C6 | C7 | C9 | C10 | 61.3° | 172.7° |
| C6 | C7 | C9 | O8 | 56.2° | 65.9° |
| C7 | C6 | C5 | H4 | 10.5° | 157.2° |
| C7 | C6 | H5 | H6 | 119.2° | 115.2° |
| C6 | C7 | C8 | H7 | 60.4° | 54.8° |
| C6 | C7 | C8 | H8 | 59.6° | 174.7° |
| C6 | C7 | C8 | H9 | 179.6° | 65.2° |
| C6 | C7 | C9 | H86 | 178.6° | 51.4° |
| C6 | C7 | O11 | H90 | 60.8° | 60.0° |
| C7 | C9 | C10 | O8 | 117.1° | 121.3° |
| C7 | C9 | C10 | H86 | 120.2° | 121.7° |
| C7 | C9 | O8 | H86 | 121.0° | 118.3° |
| C7 | C9 | C10 | C11 | 95.6° | 175.2° |
| C7 | C9 | C10 | C26 | 143.8° | 66.6° |
| C7 | C9 | O8 | C27 | 125.9° | 24.2° |
| C9 | C7 | C6 | H5 | 68.9° | 152.5° |
| C9 | C7 | C6 | H6 | 50.6° | 39.2° |
| C9 | C7 | C8 | H7 | 58.6° | 180.0° |
| C9 | C7 | C8 | H8 | 178.6° | 60.0° |
| C9 | C7 | C8 | H9 | 61.4° | 60.0° |
| C7 | C9 | C10 | H10 | 24.8° | 55.9° |
| C9 | C7 | O11 | H90 | 57.9° | 178.4° |
| O2 | C13 | O3 | C12 | 179.8° | 179.5° |
| O2 | C13 | C12 | C11 | 101.8° | 156.8° |
| O2 | C13 | C12 | C17 | 135.9° | 83.5° |
| O2 | C13 | C12 | H28 | 16.2° | 36.0° |
| C13 | O2 | C14 | H29 | 25.6° | 11.3° |
| C55 | C54 | C46 | C45 | 1.8° | 0.3° |
| C55 | C54 | C46 | H78 | 180.0° | 179.7° |
| C55 | C54 | C46 | N3 | 178.1° | 179.7° |
| C45 | C46 | C54 | N3 | 176.3° | 179.9° |
| C45 | C46 | N3 | N6 | 28.5° | 0.0° |
| C45 | C46 | N3 | C47 | 148.8° | 179.7° |
| C46 | C45 | C44 | H71 | 178.9° | 179.9° |
| C45 | C46 | C54 | H78 | 178.1° | 180.0° |
| O3 | C13 | C12 | C11 | 78.0° | 23.7° |
| O3 | C13 | C12 | C17 | 44.3° | 96.1° |
| O3 | C13 | C12 | H28 | 163.9° | 144.5° |
| C13 | C12 | C11 | C10 | 109.5° | 114.5° |
| C13 | C12 | C11 | C17 | 120.7° | 119.6° |
| C13 | C12 | C11 | H28 | 118.2° | 120.5° |
| C13 | C12 | C11 | O4 | 133.2° | 126.2° |
| C13 | C12 | C17 | H28 | 119.3° | 119.6° |
| C13 | C12 | C17 | H13 | 180.0° | 66.6° |
| C13 | C12 | C17 | H14 | 60.0° | 173.4° |
| C13 | C12 | C17 | H15 | 60.0° | 53.4° |
| C13 | C12 | C11 | H27 | 9.7° | 6.1° |
| C10 | C9 | O8 | H86 | 121.2° | 117.5° |
| C9 | C10 | C11 | C26 | 120.9° | 120.2° |
| C9 | C10 | C11 | H10 | 120.1° | 121.3° |
| C9 | C10 | C26 | H10 | 118.7° | 123.4° |
| C10 | C9 | O8 | C27 | 116.3° | 100.0° |
| C9 | C10 | C11 | C12 | 169.1° | 102.5° |
| C9 | C10 | C11 | O4 | 70.3° | 137.8° |
| C9 | C10 | C26 | H23 | 180.0° | 174.3° |
| C9 | C10 | C26 | H24 | 60.0° | 54.3° |
| C9 | C10 | C26 | H25 | 60.0° | 65.7° |
| C9 | C10 | C11 | H27 | 50.3° | 18.7° |
| O8 | C9 | C10 | C11 | 147.3° | 63.4° |
| O8 | C9 | C10 | C26 | 26.7° | 54.7° |
| C9 | O8 | C27 | O9 | 78.1° | 73.4° |
| C9 | O8 | C27 | C28 | 164.2° | 166.6° |
| O8 | C9 | C10 | H10 | 92.3° | 177.2° |
| C9 | O8 | C27 | H41 | 44.0° | 46.6° |
| C54 | C46 | N3 | N6 | 155.2° | 180.0° |
| C54 | C46 | N3 | C47 | 27.5° | 0.2° |
| C54 | C46 | C45 | H72 | 178.0° | 180.0° |
| C46 | C54 | C55 | H79 | 179.3° | 179.7° |
| C46 | N3 | N6 | C47 | 177.4° | 179.8° |
| C46 | N3 | N6 | N5 | 178.0° | 179.8° |
| C46 | N3 | C47 | C48 | 177.8° | 179.8° |
| N3 | C46 | C45 | H72 | 1.7° | 0.0° |
| C46 | N3 | C47 | H73 | 2.2° | 0.3° |
| N3 | C46 | C54 | H78 | 1.9° | 0.1° |
| C11 | C10 | C26 | H10 | 119.2° | 117.5° |
| C10 | C11 | C12 | O4 | 117.2° | 119.3° |
| C10 | C11 | C12 | H27 | 119.2° | 120.6° |
| C10 | C11 | O4 | H27 | 119.7° | 119.2° |
| C10 | C11 | C12 | C17 | 129.8° | 125.9° |
| C10 | C11 | O4 | C18 | 153.0° | 149.6° |
| C11 | C10 | C26 | H23 | 57.9° | 66.6° |
| C11 | C10 | C26 | H24 | 177.9° | 173.3° |
| C11 | C10 | C26 | H25 | 62.1° | 53.4° |
| C10 | C11 | C12 | H28 | 8.6° | 5.9° |
| C11 | C10 | C9 | H86 | 24.6° | 53.6° |
| C26 | C10 | C11 | C12 | 70.0° | 137.3° |
| C26 | C10 | C11 | O4 | 50.6° | 17.6° |
| C10 | C26 | H23 | H24 | 120.0° | 120.0° |
| C10 | C26 | H23 | H25 | 120.0° | 120.0° |
| C10 | C26 | H24 | H25 | 120.0° | 119.9° |
| C26 | C10 | C11 | H27 | 171.2° | 101.6° |
| C26 | C10 | C9 | H86 | 96.0° | 171.7° |
| O8 | C27 | O9 | C28 | 118.6° | 120.0° |
| O8 | C27 | O9 | H41 | 121.6° | 120.0° |
| O8 | C27 | O9 | C31 | 175.5° | 178.9° |
| O8 | C27 | C28 | H41 | 120.8° | 120.0° |
| O8 | C27 | C28 | O10 | 60.3° | 62.5° |
| O8 | C27 | C28 | C29 | 179.8° | 177.6° |
| O8 | C27 | C28 | H26 | 61.8° | 57.7° |
| C27 | O8 | C9 | H86 | 4.9° | 142.5° |
| C12 | C11 | O4 | H27 | 122.4° | 120.6° |
| C11 | C12 | C17 | H28 | 120.8° | 120.4° |
| C12 | C11 | O4 | C18 | 89.1° | 90.2° |
| C12 | C11 | C10 | H10 | 49.1° | 18.8° |
| C11 | C12 | C17 | H13 | 60.1° | 173.4° |
| C11 | C12 | C17 | H14 | 59.8° | 53.4° |
| C11 | C12 | C17 | H15 | 179.9° | 66.6° |
| O4 | C11 | C12 | C17 | 12.6° | 6.6° |
| C11 | O4 | C18 | O5 | 89.2° | 65.3° |
| C11 | O4 | C18 | C23 | 149.6° | 175.6° |
| O4 | C11 | C10 | H10 | 169.6° | 100.9° |
| O4 | C11 | C12 | H28 | 108.6° | 113.3° |
| C11 | O4 | C18 | H33 | 31.7° | 55.4° |
| C32 | C31 | O9 | C27 | 176.8° | 178.8° |
| C32 | C31 | O9 | C30 | 122.5° | 120.1° |
| C32 | C31 | O9 | H46 | 118.3° | 120.0° |
| C32 | C31 | C30 | H46 | 118.3° | 120.0° |
| C32 | C31 | C30 | C29 | 173.2° | 177.6° |
| C32 | C31 | C30 | H44 | 52.9° | 62.5° |
| C32 | C31 | C30 | H45 | 66.6° | 57.6° |
| C31 | C32 | H47 | H48 | 120.0° | 120.0° |
| C31 | C32 | H47 | H49 | 120.0° | 120.0° |
| C31 | C32 | H48 | H49 | 120.0° | 120.0° |
| O9 | C27 | C28 | H41 | 121.2° | 120.0° |
| C27 | O9 | C31 | C30 | 60.7° | 61.1° |
| O9 | C27 | C28 | O10 | 178.2° | 177.6° |
| O9 | C27 | C28 | C29 | 61.9° | 57.6° |
| O9 | C27 | C28 | H26 | 56.2° | 62.3° |
| C27 | O9 | C31 | H46 | 58.5° | 58.8° |
| C31 | O9 | C27 | C28 | 66.0° | 61.1° |
| O9 | C31 | C30 | H46 | 119.9° | 119.9° |
| O9 | C31 | C30 | C29 | 51.4° | 57.5° |
| C31 | O9 | C27 | H41 | 53.9° | 58.9° |
| O9 | C31 | C30 | H44 | 68.9° | 177.5° |
| O9 | C31 | C30 | H45 | 171.6° | 62.4° |
| O9 | C31 | C32 | H47 | 180.0° | 65.0° |
| O9 | C31 | C32 | H48 | 60.0° | 55.0° |
| O9 | C31 | C32 | H49 | 60.0° | 175.0° |
| C12 | C17 | H13 | H14 | 120.0° | 120.1° |
| C12 | C17 | H13 | H15 | 120.0° | 120.1° |
| C12 | C17 | H14 | H15 | 120.0° | 120.0° |
| C17 | C12 | C11 | H27 | 111.0° | 113.5° |
| C25 | C19 | O5 | C18 | 169.2° | 76.8° |
| C25 | C19 | O5 | C20 | 124.7° | 126.6° |
| C25 | C19 | O5 | H34 | 119.2° | 115.8° |
| C25 | C19 | C20 | H34 | 118.7° | 116.2° |
| C25 | C19 | C20 | O7 | 53.0° | 153.6° |
| C25 | C19 | C20 | C21 | 173.1° | 84.2° |
| C25 | C19 | C20 | H16 | 69.1° | 36.7° |
| C19 | C25 | H38 | H39 | 120.0° | 120.0° |
| C19 | C25 | H38 | H40 | 120.0° | 120.0° |
| C19 | C25 | H39 | H40 | 120.0° | 120.0° |
| O5 | C18 | O4 | C23 | 121.2° | 119.1° |
| O5 | C18 | O4 | H33 | 120.9° | 120.7° |
| O5 | C18 | C23 | H33 | 121.2° | 121.7° |
| C18 | O5 | C19 | C20 | 66.1° | 49.7° |
| O5 | C18 | C23 | C21 | 48.0° | 59.5° |
| C18 | O5 | C19 | H34 | 50.0° | 167.4° |
| O5 | C18 | C23 | H36 | 72.8° | 60.8° |
| O5 | C18 | C23 | H37 | 168.8° | 179.6° |
| C19 | O5 | C18 | O4 | 62.0° | 177.5° |
| C19 | O5 | C18 | C23 | 57.4° | 58.6° |
| O5 | C19 | C20 | H34 | 117.2° | 117.5° |
| O5 | C19 | C20 | O7 | 177.1° | 80.1° |
| O5 | C19 | C20 | C21 | 62.7° | 42.1° |
| O5 | C19 | C20 | H16 | 55.1° | 163.0° |
| C19 | O5 | C18 | H33 | 177.6° | 63.0° |
| O5 | C19 | C25 | H38 | 180.0° | 167.9° |
| O5 | C19 | C25 | H39 | 60.0° | 47.8° |
| O5 | C19 | C25 | H40 | 60.0° | 72.2° |
| C27 | C28 | O10 | C29 | 119.0° | 119.7° |
| C27 | C28 | O10 | H26 | 120.9° | 120.2° |
| C27 | C28 | C29 | H26 | 118.1° | 119.9° |
| C27 | C28 | C29 | C30 | 55.3° | 57.0° |
| C27 | C28 | C29 | N2 | 178.6° | 176.9° |
| C27 | C28 | C29 | H42 | 60.8° | 63.0° |
| C27 | C28 | O10 | H89 | 180.0° | 60.3° |
| C31 | C30 | C29 | C28 | 50.8° | 57.0° |
| C31 | C30 | C29 | H44 | 120.3° | 119.9° |
| C31 | C30 | C29 | H45 | 120.2° | 120.0° |
| C31 | C30 | C29 | N2 | 177.0° | 176.8° |
| C31 | C30 | C29 | H42 | 65.1° | 63.0° |
| C31 | C30 | H44 | H45 | 119.2° | 120.1° |
| C30 | C31 | C32 | H47 | 57.6° | 55.0° |
| C30 | C31 | C32 | H48 | 62.4° | 175.0° |
| C30 | C31 | C32 | H49 | 177.6° | 65.0° |
| N6 | N3 | C47 | C48 | 0.3° | 0.0° |
| N3 | N6 | N5 | C48 | 0.6° | 0.1° |
| N6 | N3 | C47 | H73 | 179.7° | 179.9° |
| C47 | N3 | N6 | N5 | 0.6° | 0.0° |
| N3 | C47 | C48 | H73 | 180.0° | 179.9° |
| N3 | C47 | C48 | N5 | 0.1° | 0.0° |
| N3 | C47 | C48 | C49 | 179.8° | 180.0° |
| O4 | C18 | C23 | H33 | 118.3° | 119.2° |
| O4 | C18 | C23 | C21 | 72.5° | 178.6° |
| C18 | O4 | C11 | H27 | 33.3° | 30.4° |
| O4 | C18 | C23 | H36 | 166.7° | 58.2° |
| O4 | C18 | C23 | H37 | 48.3° | 61.3° |
| C18 | C23 | C21 | H36 | 120.8° | 120.2° |
| C18 | C23 | C21 | H37 | 120.7° | 120.0° |
| C18 | C23 | C21 | C20 | 48.7° | 54.4° |
| C18 | C23 | C21 | O6 | 69.9° | 172.4° |
| C18 | C23 | C21 | C22 | 168.8° | 69.9° |
| C18 | C23 | H36 | H37 | 117.6° | 119.7° |
| C19 | C20 | C21 | C23 | 54.4° | 45.9° |
| C19 | C20 | O7 | C21 | 117.9° | 125.0° |
| C19 | C20 | O7 | H16 | 120.6° | 117.7° |
| C19 | C20 | C21 | H16 | 117.6° | 121.0° |
| C19 | C20 | C21 | O6 | 65.2° | 163.7° |
| C19 | C20 | C21 | C22 | 174.9° | 77.8° |
| C20 | C19 | C25 | H38 | 57.9° | 64.7° |
| C20 | C19 | C25 | H39 | 178.0° | 175.3° |
| C20 | C19 | C25 | H40 | 62.0° | 55.3° |
| C19 | C20 | O7 | H94 | 180.0° | 55.0° |
| N6 | N5 | C48 | C47 | 0.4° | 0.1° |
| N6 | N5 | C48 | C49 | 179.5° | 180.0° |
| O10 | C28 | C29 | H26 | 121.3° | 120.1° |
| O10 | C28 | C29 | C30 | 175.9° | 177.0° |
| O10 | C28 | C29 | N2 | 58.0° | 63.2° |
| O10 | C28 | C27 | H41 | 60.6° | 57.5° |
| O10 | C28 | C29 | H42 | 59.8° | 56.9° |
| C28 | C29 | C30 | N2 | 126.2° | 119.9° |
| C28 | C29 | C30 | H42 | 115.9° | 120.0° |
| C28 | C29 | N2 | H42 | 117.3° | 120.1° |
| C28 | C29 | N2 | C33 | 64.9° | 73.5° |
| C28 | C29 | N2 | C34 | 174.7° | 162.6° |
| C29 | C28 | C27 | H41 | 59.3° | 62.4° |
| C28 | C29 | C30 | H44 | 69.5° | 176.8° |
| C28 | C29 | C30 | H45 | 171.0° | 63.0° |
| C29 | C28 | O10 | H89 | 61.0° | 180.0° |
| C47 | C48 | N5 | C49 | 179.9° | 179.9° |
| C47 | C48 | C49 | C50 | 0.5° | 180.0° |
| C47 | C48 | C49 | C53 | 178.9° | 0.3° |
| C30 | C29 | N2 | H42 | 117.7° | 120.3° |
| C30 | C29 | N2 | C33 | 60.1° | 46.1° |
| C30 | C29 | N2 | C34 | 60.3° | 77.8° |
| C30 | C29 | C28 | H26 | 62.8° | 62.9° |
| C29 | C30 | H44 | H45 | 119.2° | 120.2° |
| C29 | C30 | C31 | H46 | 68.5° | 62.4° |
| C29 | N2 | C33 | C34 | 119.8° | 123.9° |
| N2 | C29 | C28 | H26 | 63.3° | 56.9° |
| N2 | C29 | C30 | H44 | 56.7° | 63.3° |
| N2 | C29 | C30 | H45 | 62.8° | 56.9° |
| C29 | N2 | C33 | H50 | 180.0° | 60.0° |
| C29 | N2 | C33 | H51 | 60.0° | 180.0° |
| C29 | N2 | C33 | H52 | 60.0° | 60.0° |
| C29 | N2 | C34 | H53 | 180.0° | 65.0° |
| C29 | N2 | C34 | H54 | 60.0° | 175.0° |
| C29 | N2 | C34 | H55 | 60.0° | 55.0° |
| C23 | C21 | C20 | O7 | 173.9° | 76.4° |
| C23 | C21 | C20 | O6 | 119.6° | 117.8° |
| C23 | C21 | C20 | C22 | 120.5° | 123.7° |
| C23 | C21 | O6 | C22 | 121.2° | 119.5° |
| C23 | C21 | O6 | C24 | 62.1° | 60.4° |
| C23 | C21 | C20 | H16 | 63.2° | 166.9° |
| C23 | C21 | C22 | H17 | 180.0° | 68.2° |
| C23 | C21 | C22 | H18 | 60.0° | 51.8° |
| C23 | C21 | C22 | H19 | 60.0° | 171.8° |
| C21 | C23 | C18 | H33 | 169.2° | 62.3° |
| C21 | C23 | H36 | H37 | 117.7° | 120.0° |
| C33 | N2 | C29 | H42 | 177.8° | 166.3° |
| N2 | C33 | H50 | H51 | 120.0° | 120.0° |
| N2 | C33 | H50 | H52 | 120.0° | 120.0° |
| N2 | C33 | H51 | H52 | 120.0° | 120.0° |
| C33 | N2 | C34 | H53 | 58.8° | 171.1° |
| C33 | N2 | C34 | H54 | 61.2° | 51.1° |
| C33 | N2 | C34 | H55 | 178.8° | 68.9° |
| O7 | C20 | C21 | H16 | 122.8° | 116.7° |
| O7 | C20 | C21 | O6 | 54.4° | 41.5° |
| O7 | C20 | C21 | C22 | 65.5° | 160.0° |
| O7 | C20 | C19 | H34 | 65.7° | 37.4° |
| C20 | C21 | O6 | C22 | 119.5° | 120.9° |
| C20 | C21 | O6 | C24 | 178.6° | 180.0° |
| C20 | C21 | C22 | H17 | 59.9° | 55.5° |
| C20 | C21 | C22 | H18 | 60.1° | 175.4° |
| C20 | C21 | C22 | H19 | 179.9° | 64.5° |
| C21 | C20 | C19 | H34 | 54.5° | 159.6° |
| C20 | C21 | C23 | H36 | 72.1° | 65.8° |
| C20 | C21 | C23 | H37 | 169.4° | 174.4° |
| C21 | C20 | O7 | H94 | 62.1° | 180.0° |
| N5 | C48 | C49 | C50 | 179.7° | 0.1° |
| N5 | C48 | C49 | C53 | 1.0° | 179.8° |
| N5 | C48 | C47 | H73 | 179.9° | 180.0° |
| C48 | C49 | C50 | C53 | 179.4° | 179.7° |
| C48 | C49 | C50 | C51 | 180.0° | 180.0° |
| C48 | C49 | C53 | C52 | 179.7° | 180.0° |
| C49 | C48 | C47 | H73 | 0.2° | 0.1° |
| C48 | C49 | C50 | H74 | 0.0° | 0.1° |
| C48 | C49 | C53 | H77 | 0.3° | 0.0° |
| O6 | C21 | C20 | H16 | 177.2° | 75.2° |
| O6 | C21 | C22 | H17 | 58.9° | 174.1° |
| O6 | C21 | C22 | H18 | 178.9° | 66.0° |
| O6 | C21 | C22 | H19 | 61.1° | 54.1° |
| C21 | O6 | C24 | H20 | 180.0° | 60.0° |
| C21 | O6 | C24 | H21 | 60.0° | 60.0° |
| C21 | O6 | C24 | H22 | 60.0° | 180.0° |
| O6 | C21 | C23 | H36 | 169.3° | 52.1° |
| O6 | C21 | C23 | H37 | 50.8° | 67.6° |
| C22 | C21 | O6 | C24 | 59.1° | 59.1° |
| C22 | C21 | C20 | H16 | 57.3° | 43.3° |
| C21 | C22 | H17 | H18 | 120.0° | 120.0° |
| C21 | C22 | H17 | H19 | 120.0° | 120.0° |
| C21 | C22 | H18 | H19 | 120.0° | 120.0° |
| C22 | C21 | C23 | H36 | 48.1° | 169.9° |
| C22 | C21 | C23 | H37 | 70.4° | 50.1° |
| C34 | N2 | C29 | H42 | 57.4° | 42.5° |
| C34 | N2 | C33 | H50 | 60.2° | 63.9° |
| C34 | N2 | C33 | H51 | 179.7° | 56.1° |
| C34 | N2 | C33 | H52 | 59.8° | 176.1° |
| N2 | C34 | H53 | H54 | 120.0° | 120.0° |
| N2 | C34 | H53 | H55 | 120.0° | 120.0° |
| N2 | C34 | H54 | H55 | 120.0° | 120.0° |
| O6 | C24 | H20 | H21 | 120.0° | 120.0° |
| O6 | C24 | H20 | H22 | 120.0° | 120.0° |
| O6 | C24 | H21 | H22 | 120.0° | 120.0° |
| C49 | C50 | C51 | H74 | 180.0° | 179.9° |
| C50 | C49 | C53 | C52 | 0.3° | 0.3° |
| C49 | C50 | C51 | N4 | 0.5° | 0.0° |
| C49 | C50 | C51 | H75 | 179.5° | 180.0° |
| C50 | C49 | C53 | H77 | 179.7° | 179.7° |
| C53 | C49 | C50 | C51 | 0.6° | 0.3° |
| C49 | C53 | C52 | H77 | 180.0° | 180.0° |
| C49 | C53 | C52 | N4 | 0.0° | 0.0° |
| C53 | C49 | C50 | H74 | 179.4° | 179.8° |
| C49 | C53 | C52 | H76 | 180.0° | 180.0° |
| C50 | C51 | N4 | H75 | 180.0° | 180.0° |
| C50 | C51 | N4 | C52 | 0.2° | 0.3° |
| C53 | C52 | N4 | C51 | 0.0° | 0.3° |
| C53 | C52 | N4 | H76 | 180.0° | 180.0° |
| N4 | C51 | C50 | H74 | 179.5° | 180.0° |
| C51 | N4 | C52 | H76 | 180.0° | 179.7° |
| C52 | N4 | C51 | H75 | 179.8° | 179.7° |
| N4 | C52 | C53 | H77 | 180.0° | 180.0° |
| H2 | C4 | C5 | H4 | 144.4° | 67.7° |
| H3 | C4 | C5 | H4 | 95.5° | 169.7° |
| H4 | C5 | C6 | H5 | 130.7° | 79.9° |
| H4 | C5 | C6 | H6 | 109.8° | 34.1° |
| H4 | C5 | C35 | H56 | 59.2° | 55.0° |
| H4 | C5 | C35 | H57 | 179.2° | 65.0° |
| H4 | C5 | C35 | H58 | 60.8° | 175.0° |
| H7 | C8 | H8 | H9 | 120.0° | 120.1° |
| H10 | C10 | C26 | H23 | 61.3° | 50.9° |
| H10 | C10 | C26 | H24 | 58.7° | 69.2° |
| H10 | C10 | C26 | H25 | 178.7° | 170.9° |
| H10 | C10 | C11 | H27 | 69.8° | 139.9° |
| H10 | C10 | C9 | H86 | 145.0° | 65.8° |
| H11 | C15 | C14 | H29 | 75.5° | 65.0° |
| H11 | C15 | C16 | H30 | 60.1° | NaN° |
| H11 | C15 | C16 | H31 | 179.9° | 60.0° |
| H11 | C15 | C16 | H32 | 59.9° | 60.0° |
| H12 | C15 | C14 | H29 | 164.4° | 175.0° |
| H12 | C15 | C16 | H30 | 60.0° | 60.0° |
| H12 | C15 | C16 | H31 | 60.0° | NaN° |
| H12 | C15 | C16 | H32 | 179.9° | 60.1° |
| H13 | C17 | H14 | H15 | 120.0° | 119.9° |
| H13 | C17 | C12 | H28 | 60.7° | 53.0° |
| H14 | C17 | C12 | H28 | 179.3° | 67.0° |
| H15 | C17 | C12 | H28 | 59.3° | 173.0° |
| H16 | C20 | C19 | H34 | 172.3° | 79.5° |
| H16 | C20 | O7 | H94 | 59.4° | 62.7° |
| H17 | C22 | H18 | H19 | 120.0° | 120.0° |
| H20 | C24 | H21 | H22 | 120.0° | 120.0° |
| H23 | C26 | H24 | H25 | 120.0° | 120.0° |
| H26 | C28 | C27 | H41 | 177.4° | 177.7° |
| H26 | C28 | C29 | H42 | 178.9° | 177.0° |
| H26 | C28 | O10 | H89 | 59.1° | 59.9° |
| H27 | C11 | C12 | H28 | 127.8° | 126.6° |
| H30 | C16 | H31 | H32 | 120.0° | 120.0° |
| H33 | C18 | C23 | H36 | 48.4° | 177.4° |
| H33 | C18 | C23 | H37 | 70.1° | 57.8° |
| H34 | C19 | C25 | H38 | 60.3° | 51.8° |
| H34 | C19 | C25 | H39 | 59.8° | 68.2° |
| H34 | C19 | C25 | H40 | 179.8° | 171.8° |
| H35 | C2 | C3 | H43 | 104.0° | 107.7° |
| H38 | C25 | H39 | H40 | 119.9° | 120.0° |
| H42 | C29 | C30 | H44 | 174.6° | 56.9° |
| H42 | C29 | C30 | H45 | 55.1° | 177.0° |
| H43 | C3 | C37 | H62 | 61.6° | 36.9° |
| H43 | C3 | C37 | H63 | 178.4° | 83.0° |
| H43 | C3 | C37 | H64 | 58.4° | 156.9° |
| H44 | C30 | C31 | H46 | 171.2° | 57.5° |
| H45 | C30 | C31 | H46 | 51.7° | 177.7° |
| H46 | C31 | C32 | H47 | 60.9° | 175.1° |
| H46 | C31 | C32 | H48 | 179.1° | 64.9° |
| H46 | C31 | C32 | H49 | 59.1° | 55.1° |
| H47 | C32 | H48 | H49 | 120.0° | 120.0° |
| H50 | C33 | H51 | H52 | 120.0° | 120.0° |
| H53 | C34 | H54 | H55 | 120.0° | 120.0° |
| H56 | C35 | H57 | H58 | 120.0° | 120.0° |
| H59 | C36 | H60 | H61 | 120.0° | 120.0° |
| H62 | C37 | H63 | H64 | 120.0° | 119.9° |
| H65 | C38 | C39 | H66 | 31.0° | 57.6° |
| H66 | C39 | C40 | H67 | 139.9° | 177.2° |
| H66 | C39 | O17 | H93 | 63.1° | 57.0° |
| H67 | C40 | C41 | H68 | 178.8° | 177.2° |
| H67 | C40 | O16 | H92 | 61.2° | 55.2° |
| H68 | C41 | C56 | H80 | 165.9° | 177.7° |
| H71 | C44 | C45 | H72 | 1.0° | 0.1° |
| H74 | C50 | C51 | H75 | 0.5° | 0.1° |
| H76 | C52 | C53 | H77 | 0.1° | 0.0° |
| H78 | C54 | C55 | H79 | 0.7° | 0.1° |
| H80 | C56 | C57 | H81 | 65.6° | 66.3° |
| H80 | C56 | C57 | H82 | 174.5° | 173.7° |
| H81 | C57 | O15 | H91 | 110.3° | 60.0° |
| H82 | C57 | O15 | H91 | 129.8° | 60.0° |
| H83 | C58 | H84 | H85 | 120.0° | 120.0° |
