EMK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.60Å | |
| F1 | C84 | sing | 1.40Å | 1.44Å | |
| S1 | C92 | sing | 1.81Å | 1.85Å | |
| C2 | C16 | sing | 1.53Å | 1.61Å | |
| C3 | C2 | sing | 1.53Å | 1.64Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | O71 | sing | 1.44Å | 1.54Å | |
| C4 | C17 | sing | 1.54Å | 1.65Å | |
| C5 | C4 | sing | 1.52Å | 1.63Å | |
| C5 | O42 | sing | 1.44Å | 1.13Å | |
| C6 | C5 | sing | 1.53Å | 1.77Å | |
| C6 | C7 | sing | 1.52Å | 1.63Å | |
| C8 | C7 | sing | 1.53Å | 1.58Å | |
| C8 | C19 | sing | 1.52Å | 1.59Å | |
| C9 | C8 | sing | 1.54Å | 1.72Å | |
| N9 | C9 | sing | 1.49Å | 1.49Å | |
| N9 | C12 | sing | 1.49Å | 1.71Å | |
| C10 | O71 | sing | 1.43Å | 1.60Å | |
| C10 | C21 | sing | 1.53Å | 1.68Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.51Å | 1.79Å | |
| C14 | C15 | sing | 1.53Å | 1.77Å | |
| C14 | C23 | sing | 1.54Å | 1.68Å | |
| C15 | O75 | sing | 1.44Å | 1.54Å | |
| C18 | C6 | sing | 1.53Å | 1.67Å | |
| C20 | C12 | sing | 1.51Å | 1.75Å | |
| C21 | C26 | sing | 1.53Å | 1.70Å | |
| C24 | C15 | sing | 1.53Å | 1.64Å | |
| C25 | C24 | sing | 1.53Å | 1.44Å | |
| C26 | O76 | sing | 1.44Å | 1.64Å | |
| C26 | C34 | sing | 1.53Å | 1.64Å | |
| C28 | C26 | sing | 1.52Å | 1.57Å | |
| C28 | O77 | sing | 1.44Å | 1.61Å | |
| C30 | C28 | sing | 1.52Å | 1.68Å | |
| C32 | C30 | sing | 1.53Å | 1.54Å | |
| C38 | N9 | sing | 1.52Å | 1.61Å | |
| C39 | C40 | sing | 1.53Å | 1.60Å | |
| C40 | O44 | sing | 1.43Å | 1.47Å | |
| C40 | C43 | sing | 1.53Å | 1.63Å | |
| O41 | C39 | sing | 1.43Å | 1.50Å | |
| O41 | C47 | sing | 1.43Å | 1.45Å | |
| O42 | C39 | sing | 1.43Å | 1.42Å | |
| C43 | N46 | sing | 1.47Å | 1.62Å | |
| C45 | C43 | sing | 1.53Å | 1.64Å | |
| N46 | C50 | sing | 1.47Å | 1.54Å | |
| N46 | C81 | sing | 1.47Å | 1.55Å | |
| C47 | C45 | sing | 1.53Å | 1.61Å | |
| C48 | C47 | sing | 1.53Å | 1.55Å | |
| O70 | C1 | doub | 1.22Å | 1.43Å | |
| O72 | C6 | sing | 1.44Å | 1.61Å | |
| O73 | C13 | sing | 1.43Å | 1.44Å | |
| O74 | C14 | sing | 1.43Å | 1.62Å | |
| O75 | C1 | sing | 1.32Å | 1.51Å | |
| O76 | C35 | sing | 1.43Å | 1.49Å | |
| O78 | C10 | sing | 1.42Å | 1.65Å | |
| O78 | C30 | sing | 1.42Å | 1.57Å | |
| N81 | C93 | sing | 1.35Å | 1.40Å | Aromatic |
| N81 | C83 | sing | 1.46Å | 1.51Å | |
| C82 | C81 | sing | 1.53Å | 1.55Å | |
| C82 | C94 | sing | 1.53Å | 1.53Å | |
| N82 | N81 | sing | 1.29Å | 1.35Å | Aromatic |
| C83 | C85 | sing | 1.53Å | 1.59Å | |
| N83 | N82 | doub | 1.29Å | 1.33Å | Aromatic |
| N83 | C95 | sing | 1.34Å | 1.35Å | Aromatic |
| C84 | C83 | sing | 1.53Å | 1.55Å | |
| C85 | C86 | sing | 1.51Å | 1.60Å | |
| C85 | O96 | sing | 1.43Å | 1.47Å | |
| C86 | C87 | sing | 1.38Å | 1.48Å | Aromatic |
| C87 | C88 | doub | 1.38Å | 1.49Å | Aromatic |
| C89 | S1 | sing | 1.76Å | 1.88Å | |
| C89 | C88 | sing | 1.38Å | 1.47Å | Aromatic |
| C90 | C89 | doub | 1.38Å | 1.47Å | Aromatic |
| C91 | C86 | doub | 1.38Å | 1.49Å | Aromatic |
| C91 | C90 | sing | 1.38Å | 1.48Å | Aromatic |
| C94 | C95 | sing | 1.51Å | 1.54Å | |
| O94 | S1 | doub | 1.42Å | 1.57Å | |
| C95 | C93 | doub | 1.35Å | 1.44Å | Aromatic |
| O95 | S1 | doub | 1.42Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C9 | H9A | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.13Å | 1.10Å | |
| C13 | H13 | sing | 1.12Å | 1.10Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H351 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H381 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.10Å | 1.10Å | |
| C30 | H30 | sing | 1.11Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| O44 | HO44 | sing | 0.97Å | 0.95Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C48 | H48B | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C50 | H50B | sing | 1.09Å | 1.10Å | |
| O72 | HO72 | sing | 0.97Å | 0.95Å | |
| O73 | HO73 | sing | 0.97Å | 0.95Å | |
| O74 | HO74 | sing | 0.97Å | 0.95Å | |
| O77 | HO77 | sing | 0.97Å | 0.95Å | |
| C81 | H81 | sing | 1.09Å | 1.10Å | |
| C81 | H81A | sing | 1.09Å | 1.10Å | |
| C82 | H82 | sing | 1.09Å | 1.10Å | |
| C82 | H82A | sing | 1.09Å | 1.10Å | |
| C83 | H83 | sing | 1.09Å | 1.10Å | |
| C84 | H84 | sing | 1.09Å | 1.10Å | |
| C84 | H84A | sing | 1.09Å | 1.10Å | |
| C85 | H85 | sing | 1.09Å | 1.10Å | |
| C87 | H87 | sing | 1.08Å | 1.08Å | |
| C88 | H88 | sing | 1.08Å | 1.08Å | |
| C90 | H90 | sing | 1.08Å | 1.08Å | |
| C91 | H91 | sing | 1.08Å | 1.08Å | |
| C92 | H92 | sing | 1.09Å | 1.10Å | |
| C92 | H92A | sing | 1.09Å | 1.10Å | |
| C92 | H92B | sing | 1.09Å | 1.10Å | |
| C93 | H93 | sing | 1.08Å | 1.08Å | |
| C94 | H94 | sing | 1.09Å | 1.10Å | |
| C94 | H94A | sing | 1.09Å | 1.10Å | |
| O96 | HO96 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C16 | 111.5° | 108.7° |
| C1 | C2 | C3 | 99.8° | 109.7° |
| C2 | C1 | O70 | 123.8° | 116.2° |
| C2 | C1 | O75 | 116.3° | 126.3° |
| C1 | C2 | H2 | 117.2° | 110.2° |
| F1 | C84 | C83 | 107.8° | 109.4° |
| F1 | C84 | H84 | 110.0° | 109.5° |
| F1 | C84 | H84A | 110.0° | 109.5° |
| C92 | S1 | C89 | 112.5° | 104.4° |
| C92 | S1 | O94 | 105.3° | 110.5° |
| C92 | S1 | O95 | 102.3° | 110.6° |
| S1 | C92 | H92 | 109.5° | 109.5° |
| S1 | C92 | H92A | 109.5° | 109.5° |
| S1 | C92 | H92B | 109.4° | 109.5° |
| C16 | C2 | C3 | 116.6° | 109.8° |
| C16 | C2 | H2 | 100.6° | 108.6° |
| C2 | C16 | H16 | 109.5° | 109.5° |
| C2 | C16 | H16A | 109.5° | 109.5° |
| C2 | C16 | H16B | 109.4° | 109.5° |
| C2 | C3 | C4 | 113.8° | 110.8° |
| C2 | C3 | O71 | 110.0° | 108.6° |
| C3 | C2 | H2 | 112.1° | 109.8° |
| C2 | C3 | H3 | 107.4° | 110.1° |
| C4 | C3 | O71 | 113.0° | 108.6° |
| C3 | C4 | C17 | 111.8° | 107.7° |
| C3 | C4 | C5 | 114.1° | 111.5° |
| C4 | C3 | H3 | 103.9° | 109.8° |
| C3 | C4 | H4 | 105.8° | 109.7° |
| C3 | O71 | C10 | 123.7° | 114.0° |
| O71 | C3 | H3 | 108.3° | 108.9° |
| C17 | C4 | C5 | 113.2° | 107.6° |
| C17 | C4 | H4 | 106.9° | 107.7° |
| C4 | C17 | H17 | 109.5° | 109.4° |
| C4 | C17 | H17A | 109.5° | 109.5° |
| C4 | C17 | H17B | 109.5° | 109.5° |
| C4 | C5 | O42 | 112.8° | 108.9° |
| C4 | C5 | C6 | 104.8° | 114.4° |
| C5 | C4 | H4 | 104.2° | 112.5° |
| C4 | C5 | H5 | 111.6° | 108.6° |
| O42 | C5 | C6 | 112.7° | 108.2° |
| C5 | O42 | C39 | 147.0° | 114.0° |
| O42 | C5 | H5 | 103.5° | 107.0° |
| C5 | C6 | C7 | 104.9° | 109.2° |
| C5 | C6 | C18 | 112.4° | 110.8° |
| C5 | C6 | O72 | 106.4° | 108.4° |
| C6 | C5 | H5 | 111.7° | 109.5° |
| C6 | C7 | C8 | 104.7° | 112.9° |
| C7 | C6 | C18 | 112.6° | 110.6° |
| C7 | C6 | O72 | 121.8° | 109.6° |
| C6 | C7 | H7 | 111.1° | 109.6° |
| C6 | C7 | H7A | 111.1° | 109.0° |
| C7 | C8 | C19 | 109.6° | 110.6° |
| C7 | C8 | C9 | 92.2° | 107.9° |
| C8 | C7 | H7 | 111.1° | 108.8° |
| C8 | C7 | H7A | 111.1° | 108.2° |
| C7 | C8 | H8 | 119.5° | 109.7° |
| C19 | C8 | C9 | 108.5° | 111.2° |
| C19 | C8 | H8 | 105.9° | 108.9° |
| C8 | C19 | H19 | 109.5° | 109.4° |
| C8 | C19 | H19A | 109.5° | 109.5° |
| C8 | C19 | H19B | 109.5° | 109.5° |
| C8 | C9 | N9 | 120.5° | 110.1° |
| C9 | C8 | H8 | 120.4° | 108.5° |
| C8 | C9 | H9 | 105.9° | 105.4° |
| C8 | C9 | H9A | 105.9° | 110.1° |
| C9 | N9 | C12 | 110.4° | 110.2° |
| C9 | N9 | C38 | 107.5° | 103.6° |
| N9 | C9 | H9 | 106.0° | 111.5° |
| N9 | C9 | H9A | 105.9° | 109.5° |
| N9 | C12 | C13 | 123.6° | 113.8° |
| N9 | C12 | C20 | 104.5° | 114.3° |
| C12 | N9 | C38 | 112.1° | 101.1° |
| N9 | C12 | H12 | 104.3° | 102.6° |
| O71 | C10 | C21 | 107.8° | 109.0° |
| O71 | C10 | O78 | 111.8° | 109.2° |
| O71 | C10 | H10 | 109.2° | 108.6° |
| C10 | C21 | C26 | 110.6° | 109.6° |
| C21 | C10 | O78 | 109.8° | 109.1° |
| C21 | C10 | H10 | 111.2° | 110.3° |
| C10 | C21 | H21 | 109.1° | 109.4° |
| C10 | C21 | H21A | 109.1° | 109.5° |
| C12 | C13 | C14 | 114.3° | 116.0° |
| C13 | C12 | C20 | 112.5° | 114.1° |
| C12 | C13 | O73 | 116.0° | 110.3° |
| C13 | C12 | H12 | 94.6° | 105.4° |
| C12 | C13 | H13 | 98.3° | 106.1° |
| C13 | C14 | C15 | 99.7° | 112.8° |
| C13 | C14 | C23 | 109.5° | 107.6° |
| C14 | C13 | O73 | 96.8° | 112.3° |
| C13 | C14 | O74 | 107.9° | 112.1° |
| C14 | C13 | H13 | 117.2° | 106.2° |
| C15 | C14 | C23 | 115.4° | 107.5° |
| C14 | C15 | O75 | 114.1° | 110.8° |
| C14 | C15 | C24 | 115.4° | 110.2° |
| C15 | C14 | O74 | 117.1° | 108.3° |
| C14 | C15 | H15 | 101.1° | 108.3° |
| C23 | C14 | O74 | 106.7° | 108.3° |
| C14 | C23 | H23 | 109.5° | 109.5° |
| C14 | C23 | H23A | 109.4° | 109.4° |
| C14 | C23 | H23B | 109.5° | 109.5° |
| O75 | C15 | C24 | 107.7° | 109.0° |
| C15 | O75 | C1 | 113.7° | 126.8° |
| O75 | C15 | H15 | 109.8° | 109.6° |
| C18 | C6 | O72 | 98.7° | 108.2° |
| C6 | C18 | H18 | 109.5° | 109.5° |
| C6 | C18 | H18A | 109.5° | 109.4° |
| C6 | C18 | H18B | 109.4° | 109.5° |
| C20 | C12 | H12 | 117.7° | 105.0° |
| C12 | C20 | H20 | 109.5° | 109.5° |
| C12 | C20 | H20A | 109.5° | 109.5° |
| C12 | C20 | H20B | 109.5° | 109.4° |
| C21 | C26 | O76 | 116.9° | 107.8° |
| C21 | C26 | C34 | 107.5° | 110.6° |
| C21 | C26 | C28 | 110.7° | 110.6° |
| C26 | C21 | H21 | 109.1° | 109.5° |
| C26 | C21 | H21A | 109.1° | 109.6° |
| C15 | C24 | C25 | 126.5° | 109.5° |
| C24 | C15 | H15 | 108.4° | 108.9° |
| C15 | C24 | H24 | 104.1° | 109.4° |
| C15 | C24 | H351 | 104.2° | 109.5° |
| C25 | C24 | H24 | 104.1° | 109.5° |
| C25 | C24 | H351 | 104.1° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H25A | 109.5° | 109.5° |
| C24 | C25 | H381 | 109.5° | 109.5° |
| O76 | C26 | C34 | 105.3° | 107.9° |
| O76 | C26 | C28 | 104.6° | 108.1° |
| C26 | O76 | C35 | 123.6° | 114.0° |
| C34 | C26 | C28 | 111.8° | 111.7° |
| C26 | C34 | H34 | 109.5° | 109.5° |
| C26 | C34 | H34A | 109.5° | 109.4° |
| C26 | C34 | H34B | 109.5° | 109.5° |
| C26 | C28 | O77 | 108.4° | 109.0° |
| C26 | C28 | C30 | 110.5° | 113.9° |
| C26 | C28 | H28 | 110.0° | 108.4° |
| O77 | C28 | C30 | 110.9° | 109.2° |
| O77 | C28 | H28 | 109.6° | 107.5° |
| C28 | O77 | HO77 | 109.5° | 114.0° |
| C28 | C30 | C32 | 113.0° | 111.6° |
| C28 | C30 | O78 | 110.9° | 113.3° |
| C30 | C28 | H28 | 107.5° | 108.7° |
| C28 | C30 | H30 | 105.3° | 107.0° |
| C32 | C30 | O78 | 107.3° | 111.1° |
| C32 | C30 | H30 | 109.1° | 106.6° |
| C30 | C32 | H32 | 109.5° | 109.5° |
| C30 | C32 | H32A | 109.5° | 109.5° |
| C30 | C32 | H32B | 109.5° | 109.5° |
| N9 | C38 | H38 | 109.5° | 109.4° |
| N9 | C38 | H38A | 109.4° | 109.5° |
| N9 | C38 | H38B | 109.5° | 109.4° |
| C39 | C40 | O44 | 108.8° | 109.5° |
| C39 | C40 | C43 | 107.9° | 109.2° |
| C40 | C39 | O41 | 110.9° | 109.4° |
| C40 | C39 | O42 | 107.7° | 109.5° |
| C40 | C39 | H39 | 110.7° | 109.5° |
| C39 | C40 | H40 | 111.7° | 109.6° |
| O44 | C40 | C43 | 111.6° | 109.5° |
| O44 | C40 | H40 | 108.0° | 109.5° |
| C40 | O44 | HO44 | 109.5° | 114.0° |
| C40 | C43 | N46 | 113.5° | 109.6° |
| C40 | C43 | C45 | 106.5° | 109.0° |
| C43 | C40 | H40 | 108.9° | 109.6° |
| C40 | C43 | H43 | 109.0° | 109.5° |
| C39 | O41 | C47 | 115.6° | 114.1° |
| O41 | C39 | O42 | 112.0° | 109.5° |
| O41 | C39 | H39 | 106.2° | 109.5° |
| O41 | C47 | C45 | 110.8° | 109.4° |
| O41 | C47 | C48 | 109.1° | 109.5° |
| O41 | C47 | H47 | 109.6° | 109.5° |
| O42 | C39 | H39 | 109.5° | 109.5° |
| N46 | C43 | C45 | 110.1° | 109.6° |
| C43 | N46 | C50 | 117.5° | 111.0° |
| C43 | N46 | C81 | 100.7° | 111.0° |
| N46 | C43 | H43 | 105.3° | 109.5° |
| C43 | C45 | C47 | 109.5° | 109.2° |
| C45 | C43 | H43 | 112.5° | 109.6° |
| C43 | C45 | H45 | 109.5° | 109.5° |
| C43 | C45 | H45A | 109.4° | 109.5° |
| C50 | N46 | C81 | 107.3° | 111.0° |
| N46 | C50 | H50 | 109.5° | 109.5° |
| N46 | C50 | H50A | 109.5° | 109.5° |
| N46 | C50 | H50B | 109.4° | 109.5° |
| N46 | C81 | C82 | 117.4° | 109.5° |
| N46 | C81 | H81 | 106.9° | 109.5° |
| N46 | C81 | H81A | 106.9° | 109.5° |
| C45 | C47 | C48 | 111.7° | 109.4° |
| C47 | C45 | H45 | 109.4° | 109.5° |
| C47 | C45 | H45A | 109.5° | 109.6° |
| C45 | C47 | H47 | 106.9° | 109.4° |
| C48 | C47 | H47 | 108.7° | 109.5° |
| C47 | C48 | H48 | 109.5° | 109.5° |
| C47 | C48 | H48A | 109.4° | 109.5° |
| C47 | C48 | H48B | 109.5° | 109.5° |
| O70 | C1 | O75 | 119.8° | 117.5° |
| C6 | O72 | HO72 | 109.5° | 114.0° |
| O73 | C13 | H13 | 115.5° | 105.0° |
| C13 | O73 | HO73 | 109.5° | 114.0° |
| C14 | O74 | HO74 | 109.5° | 113.9° |
| O76 | C35 | H35 | 109.5° | 109.5° |
| O76 | C35 | H35A | 109.5° | 109.5° |
| O76 | C35 | H35B | 109.4° | 109.5° |
| C10 | O78 | C30 | 114.0° | 117.2° |
| O78 | C10 | H10 | 107.2° | 110.6° |
| O78 | C30 | H30 | 111.3° | 106.9° |
| C93 | N81 | C83 | 126.5° | 125.9° |
| C93 | N81 | N82 | 109.5° | 108.3° |
| N81 | C93 | C95 | 101.2° | 106.2° |
| N81 | C93 | H93 | 129.4° | 126.9° |
| C83 | N81 | N82 | 124.0° | 125.9° |
| N81 | C83 | C85 | 110.1° | 109.4° |
| N81 | C83 | C84 | 115.8° | 109.5° |
| N81 | C83 | H83 | 105.3° | 109.5° |
| C81 | C82 | C94 | 104.9° | 109.4° |
| C82 | C81 | H81 | 106.9° | 109.5° |
| C82 | C81 | H81A | 106.9° | 109.5° |
| C81 | C82 | H82 | 111.0° | 109.4° |
| C81 | C82 | H82A | 111.0° | 109.5° |
| C82 | C94 | C95 | 119.8° | 109.5° |
| C94 | C82 | H82 | 111.0° | 109.5° |
| C94 | C82 | H82A | 111.0° | 109.5° |
| C82 | C94 | H94 | 106.2° | 109.4° |
| C82 | C94 | H94A | 106.2° | 109.5° |
| N81 | N82 | N83 | 111.7° | 110.2° |
| C85 | C83 | C84 | 111.7° | 109.5° |
| C83 | C85 | C86 | 115.7° | 109.5° |
| C83 | C85 | O96 | 111.1° | 109.5° |
| C85 | C83 | H83 | 110.0° | 109.5° |
| C83 | C85 | H85 | 103.7° | 109.5° |
| N82 | N83 | C95 | 106.0° | 108.9° |
| N83 | C95 | C94 | 118.9° | 126.7° |
| N83 | C95 | C93 | 111.6° | 106.5° |
| C84 | C83 | H83 | 103.4° | 109.5° |
| C83 | C84 | H84 | 110.0° | 109.4° |
| C83 | C84 | H84A | 110.0° | 109.5° |
| C86 | C85 | O96 | 109.0° | 109.5° |
| C85 | C86 | C87 | 125.2° | 120.0° |
| C85 | C86 | C91 | 119.5° | 120.0° |
| C86 | C85 | H85 | 106.1° | 109.5° |
| O96 | C85 | H85 | 111.1° | 109.5° |
| C85 | O96 | HO96 | 109.5° | 114.0° |
| C86 | C87 | C88 | 122.5° | 120.0° |
| C87 | C86 | C91 | 115.2° | 120.0° |
| C86 | C87 | H87 | 118.7° | 120.0° |
| C87 | C88 | C89 | 120.9° | 120.0° |
| C88 | C87 | H87 | 118.8° | 120.0° |
| C87 | C88 | H88 | 119.5° | 120.0° |
| S1 | C89 | C88 | 121.2° | 120.0° |
| S1 | C89 | C90 | 121.0° | 120.1° |
| C89 | S1 | O94 | 111.3° | 104.3° |
| C89 | S1 | O95 | 107.6° | 104.3° |
| C88 | C89 | C90 | 117.9° | 120.0° |
| C89 | C88 | H88 | 119.5° | 120.0° |
| C89 | C90 | C91 | 120.8° | 120.1° |
| C89 | C90 | H90 | 119.6° | 120.0° |
| C86 | C91 | C90 | 122.7° | 119.9° |
| C86 | C91 | H91 | 118.6° | 120.1° |
| C91 | C90 | H90 | 119.6° | 120.0° |
| C90 | C91 | H91 | 118.7° | 120.0° |
| C94 | C95 | C93 | 129.5° | 126.8° |
| C95 | C94 | H94 | 106.1° | 109.4° |
| C95 | C94 | H94A | 106.2° | 109.5° |
| O94 | S1 | O95 | 117.5° | 121.0° |
| C95 | C93 | H93 | 129.4° | 126.9° |
| H7 | C7 | H7A | 107.8° | 108.3° |
| H9 | C9 | H9A | 112.8° | 110.3° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.4° | 109.4° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.8° | 109.2° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| H24 | C24 | H351 | 114.2° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H381 | 109.5° | 109.5° |
| H25A | C25 | H381 | 109.5° | 109.4° |
| H32 | C32 | H32A | 109.5° | 109.4° |
| H32 | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.4° |
| H34 | C34 | H34B | 109.4° | 109.4° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.4° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H38 | C38 | H38B | 109.4° | 109.5° |
| H38A | C38 | H38B | 109.4° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H48 | C48 | H48A | 109.5° | 109.4° |
| H48 | C48 | H48B | 109.5° | 109.4° |
| H48A | C48 | H48B | 109.5° | 109.5° |
| H50 | C50 | H50A | 109.4° | 109.5° |
| H50 | C50 | H50B | 109.5° | 109.5° |
| H50A | C50 | H50B | 109.5° | 109.4° |
| H81 | C81 | H81A | 111.9° | 109.5° |
| H82 | C82 | H82A | 107.9° | 109.5° |
| H84 | C84 | H84A | 108.9° | 109.5° |
| H92 | C92 | H92A | 109.4° | 109.4° |
| H92 | C92 | H92B | 109.5° | 109.5° |
| H92A | C92 | H92B | 109.5° | 109.4° |
| H94 | C94 | H94A | 112.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C16 | C3 | 113.6° | 120.0° |
| C1 | C2 | C16 | H2 | 125.0° | 119.9° |
| C1 | C2 | C3 | H2 | 124.8° | 121.2° |
| C1 | C2 | C3 | C4 | 109.0° | 165.2° |
| C1 | C2 | C3 | O71 | 123.1° | 75.6° |
| C2 | C1 | O75 | C15 | 146.2° | 84.4° |
| C2 | C1 | O70 | O75 | 178.3° | 179.0° |
| C1 | C2 | C3 | H3 | 5.5° | 43.5° |
| C1 | C2 | C16 | H16 | 180.0° | 60.0° |
| C1 | C2 | C16 | H16A | 60.0° | 180.0° |
| C1 | C2 | C16 | H16B | 60.0° | 60.0° |
| F1 | C84 | C83 | N81 | 53.5° | 180.0° |
| F1 | C84 | C83 | C85 | 179.4° | 60.0° |
| F1 | C84 | C83 | H84 | 120.0° | 120.0° |
| F1 | C84 | C83 | H84A | 120.0° | 120.0° |
| F1 | C84 | C83 | H83 | 61.1° | 59.9° |
| F1 | C84 | H84 | H84A | 120.7° | 120.0° |
| C92 | S1 | C89 | O94 | 117.9° | 116.1° |
| C92 | S1 | C89 | O95 | 111.9° | 116.1° |
| C92 | S1 | C89 | C88 | 60.9° | 90.1° |
| C92 | S1 | C89 | C90 | 118.7° | 90.0° |
| C92 | S1 | O94 | O95 | 113.0° | 131.5° |
| S1 | C92 | H92 | H92A | 120.0° | 120.0° |
| S1 | C92 | H92 | H92B | 120.0° | 120.0° |
| S1 | C92 | H92A | H92B | 120.0° | 120.0° |
| C16 | C2 | C3 | H2 | 115.1° | 119.4° |
| C16 | C2 | C3 | C4 | 131.0° | 75.4° |
| C16 | C2 | C3 | O71 | 3.0° | 43.8° |
| C16 | C2 | C1 | O70 | 123.3° | 84.8° |
| C16 | C2 | C1 | O75 | 58.4° | 94.1° |
| C16 | C2 | C3 | H3 | 114.6° | 162.9° |
| C2 | C16 | H16 | H16A | 120.0° | 120.0° |
| C2 | C16 | H16 | H16B | 120.0° | 120.0° |
| C2 | C16 | H16A | H16B | 120.0° | 120.0° |
| C2 | C3 | C4 | O71 | 126.4° | 119.2° |
| C2 | C3 | C4 | H3 | 116.5° | 121.8° |
| C2 | C3 | O71 | H3 | 117.0° | 119.8° |
| C2 | C3 | C4 | C17 | 54.9° | 112.9° |
| C2 | C3 | C4 | C5 | 175.1° | 129.4° |
| C2 | C3 | O71 | C10 | 98.3° | 124.6° |
| C3 | C2 | C1 | O70 | 0.5° | 35.3° |
| C3 | C2 | C1 | O75 | 177.9° | 145.8° |
| C2 | C3 | C4 | H4 | 61.1° | 4.0° |
| C3 | C2 | C16 | H16 | 66.4° | 180.0° |
| C3 | C2 | C16 | H16A | 53.6° | 60.0° |
| C3 | C2 | C16 | H16B | 173.6° | 60.0° |
| C4 | C3 | O71 | H3 | 114.6° | 119.6° |
| C3 | C4 | C17 | C5 | 130.5° | 120.3° |
| C3 | C4 | C17 | H4 | 115.4° | 118.2° |
| C3 | C4 | C5 | H4 | 114.9° | 123.8° |
| C3 | C4 | C5 | O42 | 131.4° | 158.6° |
| C3 | C4 | C5 | C6 | 105.7° | 80.2° |
| C4 | C3 | O71 | C10 | 133.3° | 114.8° |
| C4 | C3 | C2 | H2 | 15.8° | 44.0° |
| C3 | C4 | C5 | H5 | 15.4° | 42.4° |
| C3 | C4 | C17 | H17 | 180.0° | 53.7° |
| C3 | C4 | C17 | H17A | 60.0° | 173.6° |
| C3 | C4 | C17 | H17B | 60.0° | 66.3° |
| O71 | C3 | C4 | C17 | 71.5° | 6.3° |
| O71 | C3 | C4 | C5 | 58.5° | 111.5° |
| C3 | O71 | C10 | C21 | 178.4° | 170.4° |
| C3 | O71 | C10 | O78 | 60.9° | 70.5° |
| O71 | C3 | C2 | H2 | 112.1° | 163.2° |
| O71 | C3 | C4 | H4 | 172.5° | 123.2° |
| C3 | O71 | C10 | H10 | 57.5° | 50.2° |
| C17 | C4 | C5 | H4 | 115.8° | 118.4° |
| C17 | C4 | C5 | O42 | 2.1° | 40.8° |
| C17 | C4 | C5 | C6 | 124.9° | 161.9° |
| C17 | C4 | C3 | H3 | 171.4° | 125.3° |
| C17 | C4 | C5 | H5 | 114.0° | 75.4° |
| C4 | C17 | H17 | H17A | 120.0° | 120.0° |
| C4 | C17 | H17 | H17B | 120.0° | 120.0° |
| C4 | C17 | H17A | H17B | 120.0° | 120.0° |
| C4 | C5 | O42 | C6 | 118.4° | 124.8° |
| C4 | C5 | O42 | H5 | 120.8° | 117.2° |
| C4 | C5 | C6 | H5 | 121.0° | 122.2° |
| C4 | C5 | C6 | C7 | 55.6° | 79.5° |
| C4 | C5 | C6 | C18 | 178.3° | 42.5° |
| C4 | C5 | O42 | C39 | 128.0° | 110.3° |
| C4 | C5 | C6 | O72 | 74.7° | 161.1° |
| C5 | C4 | C3 | H3 | 58.6° | 7.5° |
| C5 | C4 | C17 | H17 | 49.5° | 174.0° |
| C5 | C4 | C17 | H17A | 70.5° | 66.1° |
| C5 | C4 | C17 | H17B | 169.5° | 54.0° |
| O42 | C5 | C6 | H5 | 116.0° | 116.3° |
| O42 | C5 | C6 | C7 | 67.3° | 159.0° |
| O42 | C5 | C6 | C18 | 55.3° | 79.0° |
| C5 | O42 | C39 | C40 | 179.7° | 175.4° |
| C5 | O42 | C39 | O41 | 58.1° | 64.7° |
| O42 | C5 | C6 | O72 | 162.4° | 39.6° |
| O42 | C5 | C4 | H4 | 113.7° | 77.6° |
| C5 | O42 | C39 | H39 | 59.4° | 55.3° |
| C5 | C6 | C7 | C18 | 122.5° | 122.1° |
| C5 | C6 | C7 | O72 | 120.6° | 118.6° |
| C5 | C6 | C7 | C8 | 177.3° | 145.6° |
| C5 | C6 | C18 | O72 | 111.9° | 118.7° |
| C6 | C5 | O42 | C39 | 113.6° | 124.8° |
| C6 | C5 | C4 | H4 | 9.2° | 43.5° |
| C5 | C6 | C7 | H7 | 62.7° | 92.9° |
| C5 | C6 | C7 | H7A | 57.4° | 25.4° |
| C5 | C6 | C18 | H18 | 180.0° | 60.0° |
| C5 | C6 | C18 | H18A | 60.0° | 180.0° |
| C5 | C6 | C18 | H18B | 60.0° | 60.0° |
| C5 | C6 | O72 | HO72 | 180.0° | 180.0° |
| C6 | C7 | C8 | H7 | 120.0° | 121.9° |
| C6 | C7 | C8 | H7A | 120.0° | 120.7° |
| C6 | C7 | C8 | C19 | 150.2° | 69.6° |
| C6 | C7 | C8 | C9 | 99.3° | 168.6° |
| C7 | C6 | C18 | O72 | 129.9° | 120.1° |
| C7 | C6 | C5 | H5 | 176.7° | 42.7° |
| C6 | C7 | H7 | H7A | 122.0° | 118.7° |
| C6 | C7 | C8 | H8 | 27.9° | 50.6° |
| C7 | C6 | C18 | H18 | 61.8° | 61.1° |
| C7 | C6 | C18 | H18A | 178.2° | 58.8° |
| C7 | C6 | C18 | H18B | 58.2° | 178.8° |
| C7 | C6 | O72 | HO72 | 60.1° | 60.9° |
| C7 | C8 | C19 | C9 | 99.3° | 119.8° |
| C7 | C8 | C19 | H8 | 130.1° | 120.6° |
| C7 | C8 | C9 | H8 | 126.4° | 118.8° |
| C7 | C8 | C9 | N9 | 178.9° | 100.9° |
| C8 | C7 | C6 | C18 | 60.1° | 92.3° |
| C8 | C7 | C6 | O72 | 56.7° | 27.0° |
| C8 | C7 | H7 | H7A | 121.9° | 117.3° |
| C7 | C8 | C9 | H9 | 61.1° | 19.4° |
| C7 | C8 | C9 | H9A | 58.9° | 138.4° |
| C7 | C8 | C19 | H19 | 180.0° | 60.0° |
| C7 | C8 | C19 | H19A | 60.0° | 180.0° |
| C7 | C8 | C19 | H19B | 60.0° | 60.0° |
| C19 | C8 | C9 | H8 | 122.1° | 119.8° |
| C19 | C8 | C9 | N9 | 69.6° | 20.5° |
| C19 | C8 | C7 | H7 | 30.2° | 52.3° |
| C19 | C8 | C7 | H7A | 89.8° | 169.7° |
| C19 | C8 | C9 | H9 | 50.4° | 140.8° |
| C19 | C8 | C9 | H9A | 170.4° | 100.2° |
| C8 | C19 | H19 | H19A | 120.0° | 120.0° |
| C8 | C19 | H19 | H19B | 120.0° | 120.0° |
| C8 | C19 | H19A | H19B | 120.0° | 120.0° |
| C8 | C9 | N9 | H9 | 120.0° | 116.6° |
| C8 | C9 | N9 | H9A | 120.0° | 121.1° |
| C8 | C9 | N9 | C12 | 179.3° | 154.2° |
| C8 | C9 | N9 | C38 | 58.2° | 98.3° |
| C9 | C8 | C7 | H7 | 140.7° | 69.4° |
| C9 | C8 | C7 | H7A | 20.7° | 47.9° |
| C8 | C9 | H9 | H9A | 115.4° | 118.8° |
| C9 | C8 | C19 | H19 | 80.7° | 59.8° |
| C9 | C8 | C19 | H19A | 159.3° | 60.2° |
| C9 | C8 | C19 | H19B | 39.3° | 179.8° |
| C9 | N9 | C12 | C38 | 119.8° | 109.1° |
| C9 | N9 | C12 | C13 | 49.3° | 115.7° |
| C9 | N9 | C12 | C20 | 179.5° | 17.9° |
| N9 | C9 | C8 | H8 | 52.4° | 140.3° |
| N9 | C9 | H9 | H9A | 115.4° | 121.8° |
| C9 | N9 | C12 | H12 | 56.3° | 130.9° |
| C9 | N9 | C38 | H38 | 180.0° | 56.0° |
| C9 | N9 | C38 | H38A | 60.0° | 176.0° |
| C9 | N9 | C38 | H38B | 60.0° | 64.0° |
| N9 | C12 | C13 | C20 | 126.9° | 133.7° |
| N9 | C12 | C13 | H12 | 110.6° | 111.7° |
| N9 | C12 | C13 | C14 | 122.4° | 70.0° |
| N9 | C12 | C20 | H12 | 115.1° | 111.6° |
| N9 | C12 | C13 | O73 | 126.2° | 59.1° |
| C12 | N9 | C9 | H9 | 59.3° | 37.7° |
| C12 | N9 | C9 | H9A | 60.8° | 84.7° |
| N9 | C12 | C13 | H13 | 2.5° | 172.3° |
| N9 | C12 | C20 | H20 | 180.0° | 59.9° |
| N9 | C12 | C20 | H20A | 60.0° | 180.0° |
| N9 | C12 | C20 | H20B | 60.0° | 60.0° |
| C12 | N9 | C38 | H38 | 58.5° | 170.2° |
| C12 | N9 | C38 | H38A | 61.6° | 69.8° |
| C12 | N9 | C38 | H38B | 178.5° | 50.2° |
| O71 | C10 | C21 | O78 | 122.0° | 119.1° |
| O71 | C10 | C21 | H10 | 119.6° | 119.1° |
| O71 | C10 | C21 | C26 | 70.7° | 178.6° |
| O71 | C10 | O78 | H10 | 119.6° | 119.4° |
| O71 | C10 | O78 | C30 | 66.0° | 177.6° |
| C10 | O71 | C3 | H3 | 18.7° | 4.8° |
| O71 | C10 | C21 | H21 | 169.3° | 61.3° |
| O71 | C10 | C21 | H21A | 49.3° | 58.3° |
| C10 | C21 | C26 | H21 | 120.0° | 120.0° |
| C10 | C21 | C26 | H21A | 120.0° | 120.2° |
| C10 | C21 | C26 | O76 | 63.4° | 172.4° |
| C10 | C21 | C26 | C34 | 178.6° | 69.9° |
| C10 | C21 | C26 | C28 | 56.3° | 54.3° |
| C21 | C10 | O78 | H10 | 120.9° | 121.6° |
| C21 | C10 | O78 | C30 | 53.6° | 58.6° |
| C10 | C21 | H21 | H21A | 119.5° | 119.8° |
| C12 | C13 | C14 | O73 | 122.6° | 128.2° |
| C12 | C13 | C14 | H13 | 114.2° | 117.6° |
| C12 | C13 | C14 | C15 | 179.2° | 132.6° |
| C12 | C13 | C14 | C23 | 57.7° | 108.9° |
| C13 | C12 | C20 | H12 | 108.4° | 114.9° |
| C13 | C12 | N9 | C38 | 70.5° | 135.2° |
| C12 | C13 | O73 | H13 | 114.2° | 113.9° |
| C12 | C13 | C14 | O74 | 58.1° | 10.0° |
| C13 | C12 | C20 | H20 | 43.5° | 166.6° |
| C13 | C12 | C20 | H20A | 76.6° | 46.5° |
| C13 | C12 | C20 | H20B | 163.5° | 73.5° |
| C12 | C13 | O73 | HO73 | 180.0° | 60.0° |
| C13 | C14 | C15 | C23 | 117.2° | 118.5° |
| C13 | C14 | C15 | O74 | 115.9° | 124.7° |
| C13 | C14 | C23 | O74 | 116.5° | 121.4° |
| C13 | C14 | C15 | O75 | 117.6° | 170.7° |
| C14 | C13 | C12 | C20 | 110.8° | 63.7° |
| C13 | C14 | C15 | C24 | 116.9° | 68.5° |
| C14 | C13 | O73 | H13 | 124.5° | 115.0° |
| C14 | C13 | C12 | H12 | 11.8° | 178.3° |
| C13 | C14 | C15 | H15 | 0.3° | 50.5° |
| C13 | C14 | C23 | H23 | 180.0° | 60.0° |
| C13 | C14 | C23 | H23A | 60.0° | 180.0° |
| C13 | C14 | C23 | H23B | 60.0° | 60.0° |
| C14 | C13 | O73 | HO73 | 58.7° | 168.9° |
| C13 | C14 | O74 | HO74 | 180.0° | 180.0° |
| C15 | C14 | C23 | O74 | 132.0° | 116.9° |
| C14 | C15 | O75 | C24 | 129.4° | 121.5° |
| C14 | C15 | O75 | H15 | 112.7° | 119.5° |
| C14 | C15 | C24 | H15 | 112.5° | 118.6° |
| C14 | C15 | C24 | C25 | 103.0° | 175.0° |
| C15 | C14 | C13 | O73 | 58.3° | 4.5° |
| C14 | C15 | O75 | C1 | 72.7° | 51.2° |
| C15 | C14 | C13 | H13 | 65.0° | 109.7° |
| C15 | C14 | C23 | H23 | 68.5° | 61.7° |
| C15 | C14 | C23 | H23A | 171.5° | 58.2° |
| C15 | C14 | C23 | H23B | 51.5° | 178.2° |
| C14 | C15 | C24 | H24 | 17.0° | 55.0° |
| C14 | C15 | C24 | H351 | 137.0° | 65.0° |
| C15 | C14 | O74 | HO74 | 68.6° | 54.9° |
| C23 | C14 | C15 | O75 | 0.4° | 52.2° |
| C23 | C14 | C15 | C24 | 125.9° | 173.0° |
| C23 | C14 | C13 | O73 | 179.8° | 122.9° |
| C23 | C14 | C13 | H13 | 56.5° | 8.7° |
| C23 | C14 | C15 | H15 | 117.4° | 68.0° |
| C14 | C23 | H23 | H23A | 120.0° | 120.0° |
| C14 | C23 | H23 | H23B | 120.0° | 120.0° |
| C14 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C14 | O74 | HO74 | 62.4° | 61.4° |
| O75 | C15 | C24 | H15 | 118.8° | 119.5° |
| O75 | C15 | C24 | C25 | 128.3° | 63.1° |
| C15 | O75 | C1 | O70 | 32.3° | 96.7° |
| O75 | C15 | C14 | O74 | 126.5° | 64.6° |
| O75 | C15 | C24 | H24 | 111.7° | 176.9° |
| O75 | C15 | C24 | H351 | 8.3° | 56.9° |
| C18 | C6 | C5 | H5 | 60.7° | 164.6° |
| C18 | C6 | C7 | H7 | 59.9° | 29.2° |
| C18 | C6 | C7 | H7A | 179.9° | 147.5° |
| C6 | C18 | H18 | H18A | 120.0° | 119.9° |
| C6 | C18 | H18 | H18B | 120.0° | 120.0° |
| C6 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C6 | O72 | HO72 | 63.4° | 59.8° |
| C20 | C12 | N9 | C38 | 59.7° | 91.2° |
| C20 | C12 | C13 | O73 | 0.6° | 167.2° |
| C20 | C12 | C13 | H13 | 124.3° | 54.0° |
| C12 | C20 | H20 | H20A | 120.0° | 120.1° |
| C12 | C20 | H20 | H20B | 120.0° | 119.9° |
| C12 | C20 | H20A | H20B | 120.0° | 120.0° |
| C21 | C26 | O76 | C34 | 119.2° | 119.4° |
| C21 | C26 | O76 | C28 | 122.9° | 119.6° |
| C21 | C26 | C34 | C28 | 121.7° | 123.7° |
| C21 | C26 | C28 | O77 | 179.9° | 76.3° |
| C21 | C26 | C28 | C30 | 58.4° | 45.9° |
| C21 | C26 | O76 | C35 | 57.4° | 60.0° |
| C26 | C21 | C10 | O78 | 51.3° | 59.4° |
| C26 | C21 | C10 | H10 | 169.7° | 62.3° |
| C26 | C21 | H21 | H21A | 119.6° | 120.0° |
| C21 | C26 | C28 | H28 | 60.1° | 167.0° |
| C21 | C26 | C34 | H34 | 180.0° | 60.0° |
| C21 | C26 | C34 | H34A | 60.0° | 179.9° |
| C21 | C26 | C34 | H34B | 60.0° | 60.0° |
| C15 | C24 | C25 | H24 | 120.0° | 120.0° |
| C15 | C24 | C25 | H351 | 120.0° | 120.0° |
| C24 | C15 | C14 | O74 | 1.0° | 56.2° |
| C24 | C15 | O75 | C1 | 157.9° | 70.3° |
| C15 | C24 | H24 | H351 | 113.0° | 120.0° |
| C15 | C24 | C25 | H25 | 180.0° | 180.0° |
| C15 | C24 | C25 | H25A | 60.0° | 60.0° |
| C15 | C24 | C25 | H381 | 60.0° | 60.0° |
| C25 | C24 | C15 | H15 | 9.5° | 56.4° |
| C25 | C24 | H24 | H351 | 112.9° | 120.0° |
| C24 | C25 | H25 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H381 | 120.0° | 120.0° |
| C24 | C25 | H25A | H381 | 120.0° | 120.0° |
| O76 | C26 | C34 | C28 | 113.0° | 118.7° |
| O76 | C26 | C28 | O77 | 53.3° | 41.5° |
| O76 | C26 | C28 | C30 | 68.4° | 163.7° |
| O76 | C26 | C21 | H21 | 176.6° | 67.6° |
| O76 | C26 | C21 | H21A | 56.6° | 52.2° |
| O76 | C26 | C28 | H28 | 173.1° | 75.2° |
| O76 | C26 | C34 | H34 | 54.7° | 57.7° |
| O76 | C26 | C34 | H34A | 174.7° | 62.3° |
| O76 | C26 | C34 | H34B | 65.3° | 177.7° |
| C26 | O76 | C35 | H35 | 180.0° | 60.0° |
| C26 | O76 | C35 | H35A | 60.0° | 180.0° |
| C26 | O76 | C35 | H35B | 60.0° | 60.0° |
| C34 | C26 | C28 | O77 | 60.2° | 160.0° |
| C34 | C26 | C28 | C30 | 178.1° | 77.8° |
| C34 | C26 | O76 | C35 | 61.8° | 59.5° |
| C34 | C26 | C21 | H21 | 58.7° | 50.1° |
| C34 | C26 | C21 | H21A | 61.4° | 169.9° |
| C34 | C26 | C28 | H28 | 59.7° | 43.3° |
| C26 | C34 | H34 | H34A | 120.0° | 119.9° |
| C26 | C34 | H34 | H34B | 120.0° | 120.1° |
| C26 | C34 | H34A | H34B | 120.0° | 120.1° |
| C26 | C28 | O77 | C30 | 121.5° | 125.0° |
| C26 | C28 | O77 | H28 | 120.0° | 117.3° |
| C26 | C28 | C30 | H28 | 120.0° | 121.0° |
| C26 | C28 | C30 | C32 | 179.4° | 84.2° |
| C28 | C26 | O76 | C35 | 179.7° | 179.6° |
| C26 | C28 | C30 | O78 | 58.8° | 42.0° |
| C28 | C26 | C21 | H21 | 63.7° | 174.4° |
| C28 | C26 | C21 | H21A | 176.3° | 65.8° |
| C26 | C28 | C30 | H30 | 61.7° | 159.5° |
| C28 | C26 | C34 | H34 | 58.3° | 176.3° |
| C28 | C26 | C34 | H34A | 61.7° | 56.4° |
| C28 | C26 | C34 | H34B | 178.3° | 63.7° |
| C26 | C28 | O77 | HO77 | 180.0° | 180.0° |
| O77 | C28 | C30 | H28 | 119.8° | 116.9° |
| O77 | C28 | C30 | C32 | 60.4° | 153.7° |
| O77 | C28 | C30 | O78 | 179.1° | 80.1° |
| O77 | C28 | C30 | H30 | 58.6° | 37.4° |
| C28 | C30 | C32 | O78 | 122.6° | 127.4° |
| C28 | C30 | C32 | H30 | 116.8° | 116.5° |
| C28 | C30 | O78 | C10 | 56.2° | 49.7° |
| C28 | C30 | O78 | H30 | 116.9° | 117.6° |
| C28 | C30 | C32 | H32 | 180.0° | 60.0° |
| C28 | C30 | C32 | H32A | 60.0° | 180.0° |
| C28 | C30 | C32 | H32B | 60.0° | 60.0° |
| C30 | C28 | O77 | HO77 | 58.5° | 55.1° |
| C32 | C30 | O78 | C10 | 180.0° | 76.8° |
| C32 | C30 | O78 | H30 | 119.3° | 115.9° |
| C32 | C30 | C28 | H28 | 59.4° | 36.8° |
| C30 | C32 | H32 | H32A | 120.0° | 120.0° |
| C30 | C32 | H32 | H32B | 120.0° | 120.0° |
| C30 | C32 | H32A | H32B | 120.0° | 120.0° |
| C38 | N9 | C9 | H9 | 178.2° | 145.2° |
| C38 | N9 | C9 | H9A | 61.8° | 22.8° |
| C38 | N9 | C12 | H12 | 176.1° | 21.8° |
| N9 | C38 | H38 | H38A | 120.0° | 120.0° |
| N9 | C38 | H38 | H38B | 120.0° | 120.0° |
| N9 | C38 | H38A | H38B | 120.0° | 120.0° |
| C39 | C40 | O44 | C43 | 118.9° | 119.7° |
| C39 | C40 | O44 | H40 | 121.4° | 120.1° |
| C39 | C40 | C43 | H40 | 121.4° | 120.0° |
| C40 | C39 | O41 | O42 | 120.3° | 120.0° |
| C40 | C39 | O41 | H39 | 120.3° | 119.9° |
| C40 | C39 | O41 | C47 | 59.2° | 61.2° |
| C40 | C39 | O42 | H39 | 120.3° | 120.1° |
| C39 | C40 | C43 | N46 | 179.6° | 176.9° |
| C39 | C40 | C43 | C45 | 59.1° | 57.0° |
| C39 | C40 | C43 | H43 | 62.5° | 62.9° |
| C39 | C40 | O44 | HO44 | 180.0° | 60.0° |
| O44 | C40 | C43 | H40 | 119.1° | 120.1° |
| O44 | C40 | C39 | O41 | 179.8° | 177.5° |
| O44 | C40 | C39 | O42 | 56.9° | 62.5° |
| O44 | C40 | C43 | N46 | 60.1° | 63.2° |
| O44 | C40 | C43 | C45 | 178.6° | 176.9° |
| O44 | C40 | C39 | H39 | 62.6° | 57.6° |
| O44 | C40 | C43 | H43 | 57.0° | 57.0° |
| C43 | C40 | C39 | O41 | 59.0° | 57.6° |
| C43 | C40 | C39 | O42 | 178.2° | 177.6° |
| C40 | C43 | N46 | C45 | 119.3° | 119.5° |
| C40 | C43 | N46 | H43 | 119.2° | 120.2° |
| C40 | C43 | C45 | H43 | 119.4° | 119.9° |
| C40 | C43 | N46 | C50 | 59.4° | 170.2° |
| C40 | C43 | N46 | C81 | 175.4° | 65.8° |
| C40 | C43 | C45 | C47 | 58.2° | 57.0° |
| C43 | C40 | C39 | H39 | 58.6° | 62.3° |
| C43 | C40 | O44 | HO44 | 61.1° | 179.7° |
| C40 | C43 | C45 | H45 | 178.2° | 176.9° |
| C40 | C43 | C45 | H45A | 61.8° | 63.0° |
| O41 | C39 | O42 | H39 | 117.5° | 120.0° |
| C39 | O41 | C47 | C45 | 57.2° | 61.2° |
| C39 | O41 | C47 | C48 | 179.5° | 178.9° |
| O41 | C39 | C40 | H40 | 60.7° | 62.4° |
| C39 | O41 | C47 | H47 | 60.6° | 58.7° |
| C47 | O41 | C39 | O42 | 179.5° | 178.8° |
| O41 | C47 | C45 | C43 | 56.5° | 57.6° |
| O41 | C47 | C45 | C48 | 121.9° | 120.0° |
| O41 | C47 | C45 | H47 | 119.4° | 120.0° |
| O41 | C47 | C48 | H47 | 119.5° | 120.1° |
| C47 | O41 | C39 | H39 | 61.1° | 58.8° |
| O41 | C47 | C45 | H45 | 176.5° | 177.5° |
| O41 | C47 | C45 | H45A | 63.5° | 62.3° |
| O41 | C47 | C48 | H48 | 180.0° | 60.0° |
| O41 | C47 | C48 | H48A | 60.0° | 180.0° |
| O41 | C47 | C48 | H48B | 60.0° | 59.9° |
| C39 | O42 | C5 | H5 | 7.3° | 6.9° |
| O42 | C39 | C40 | H40 | 62.1° | 57.6° |
| N46 | C43 | C45 | H43 | 117.2° | 120.2° |
| C43 | N46 | C50 | C81 | 112.4° | 124.0° |
| N46 | C43 | C45 | C47 | 178.3° | 176.8° |
| C43 | N46 | C81 | C82 | 117.2° | 170.0° |
| N46 | C43 | C40 | H40 | 59.0° | 56.9° |
| N46 | C43 | C45 | H45 | 58.4° | 63.2° |
| N46 | C43 | C45 | H45A | 61.7° | 56.9° |
| C43 | N46 | C50 | H50 | 180.0° | 55.7° |
| C43 | N46 | C50 | H50A | 60.0° | 175.7° |
| C43 | N46 | C50 | H50B | 60.0° | 64.4° |
| C43 | N46 | C81 | H81 | 2.8° | 50.0° |
| C43 | N46 | C81 | H81A | 122.8° | 70.0° |
| C45 | C43 | N46 | C50 | 178.7° | 70.2° |
| C45 | C43 | N46 | C81 | 65.3° | 53.7° |
| C43 | C45 | C47 | H45 | 120.0° | 119.9° |
| C43 | C45 | C47 | H45A | 120.0° | 119.9° |
| C43 | C45 | C47 | C48 | 178.4° | 177.6° |
| C45 | C43 | C40 | H40 | 62.3° | 63.0° |
| C43 | C45 | H45 | H45A | 120.0° | 120.1° |
| C43 | C45 | C47 | H47 | 62.9° | 62.4° |
| C50 | N46 | C81 | C82 | 119.4° | 66.0° |
| C50 | N46 | C43 | H43 | 59.8° | 50.0° |
| N46 | C50 | H50 | H50A | 120.0° | 120.0° |
| N46 | C50 | H50 | H50B | 120.0° | 120.0° |
| N46 | C50 | H50A | H50B | 120.0° | 120.0° |
| C50 | N46 | C81 | H81 | 120.6° | 173.9° |
| C50 | N46 | C81 | H81A | 0.6° | 53.9° |
| N46 | C81 | C82 | H81 | 120.0° | 120.0° |
| N46 | C81 | C82 | H81A | 120.0° | 120.0° |
| N46 | C81 | C82 | C94 | 163.5° | 180.0° |
| C81 | N46 | C43 | H43 | 56.3° | 174.0° |
| C81 | N46 | C50 | H50 | 67.6° | 179.6° |
| C81 | N46 | C50 | H50A | 52.4° | 60.4° |
| C81 | N46 | C50 | H50B | 172.4° | 59.5° |
| N46 | C81 | H81 | H81A | 116.8° | 120.0° |
| N46 | C81 | C82 | H82 | 76.5° | 60.0° |
| N46 | C81 | C82 | H82A | 43.5° | 60.0° |
| C45 | C47 | C48 | H47 | 117.7° | 120.0° |
| C47 | C45 | C43 | H43 | 61.2° | 62.9° |
| C47 | C45 | H45 | H45A | 120.0° | 120.2° |
| C45 | C47 | C48 | H48 | 57.2° | 179.9° |
| C45 | C47 | C48 | H48A | 62.8° | 60.1° |
| C45 | C47 | C48 | H48B | 177.2° | 60.0° |
| C48 | C47 | C45 | H45 | 61.6° | 62.5° |
| C48 | C47 | C45 | H45A | 58.4° | 57.7° |
| C47 | C48 | H48 | H48A | 120.0° | 120.0° |
| C47 | C48 | H48 | H48B | 120.0° | 120.0° |
| C47 | C48 | H48A | H48B | 120.0° | 120.1° |
| O70 | C1 | C2 | H2 | 121.6° | 156.3° |
| O72 | C6 | C5 | H5 | 46.3° | 76.7° |
| O72 | C6 | C7 | H7 | 176.7° | 148.5° |
| O72 | C6 | C7 | H7A | 63.3° | 93.2° |
| O72 | C6 | C18 | H18 | 68.1° | 178.8° |
| O72 | C6 | C18 | H18A | 51.9° | 61.3° |
| O72 | C6 | C18 | H18B | 171.9° | 58.7° |
| O73 | C13 | C14 | O74 | 64.5° | 118.1° |
| O73 | C13 | C12 | H12 | 123.2° | 52.6° |
| O74 | C14 | C13 | H13 | 172.3° | 127.6° |
| O74 | C14 | C15 | H15 | 115.7° | 175.2° |
| O74 | C14 | C23 | H23 | 63.5° | 178.6° |
| O74 | C14 | C23 | H23A | 56.5° | 58.6° |
| O74 | C14 | C23 | H23B | 176.5° | 61.3° |
| O75 | C1 | C2 | H2 | 56.7° | 24.8° |
| C1 | O75 | C15 | H15 | 40.0° | 170.6° |
| O76 | C35 | H35 | H35A | 120.0° | 120.1° |
| O76 | C35 | H35 | H35B | 120.0° | 120.0° |
| O76 | C35 | H35A | H35B | 120.0° | 120.0° |
| O78 | C10 | C21 | H21 | 68.7° | 179.5° |
| O78 | C10 | C21 | H21A | 171.3° | 60.8° |
| C10 | O78 | C30 | H30 | 60.7° | 167.3° |
| C30 | O78 | C10 | H10 | 174.4° | 63.0° |
| O78 | C30 | C28 | H28 | 61.2° | 163.0° |
| O78 | C30 | C32 | H32 | 57.4° | 172.5° |
| O78 | C30 | C32 | H32A | 62.6° | 52.6° |
| O78 | C30 | C32 | H32B | 177.5° | 67.4° |
| C93 | N81 | C83 | N82 | 179.8° | 179.8° |
| C93 | N81 | C83 | C85 | 72.5° | 85.0° |
| C93 | N81 | N82 | N83 | 0.1° | 0.0° |
| N81 | C93 | C95 | N83 | 0.1° | 0.0° |
| C93 | N81 | C83 | C84 | 55.4° | 35.0° |
| N81 | C93 | C95 | C94 | 179.8° | 180.0° |
| N81 | C93 | C95 | H93 | 180.0° | 179.8° |
| C93 | N81 | C83 | H83 | 169.0° | 155.0° |
| N81 | C83 | C85 | C84 | 130.1° | 120.0° |
| N81 | C83 | C85 | H83 | 115.6° | 120.0° |
| C83 | N81 | N82 | N83 | 179.9° | 179.8° |
| N81 | C83 | C84 | H83 | 114.6° | 120.1° |
| N81 | C83 | C85 | C86 | 50.2° | 180.0° |
| N81 | C83 | C85 | O96 | 74.8° | 60.0° |
| C83 | N81 | C93 | C95 | 179.8° | 179.8° |
| N81 | C83 | C84 | H84 | 66.5° | 60.0° |
| N81 | C83 | C84 | H84A | 173.5° | 60.0° |
| N81 | C83 | C85 | H85 | 165.8° | 60.0° |
| C83 | N81 | C93 | H93 | 0.2° | 0.0° |
| C81 | C82 | C94 | H82 | 120.0° | 119.9° |
| C81 | C82 | C94 | H82A | 120.0° | 120.0° |
| C81 | C82 | C94 | C95 | 178.7° | 180.0° |
| C82 | C81 | H81 | H81A | 116.7° | 120.0° |
| C81 | C82 | H82 | H82A | 121.9° | 120.0° |
| C81 | C82 | C94 | H94 | 61.3° | 60.1° |
| C81 | C82 | C94 | H94A | 58.7° | 60.0° |
| C82 | C94 | C95 | N83 | 110.0° | 55.0° |
| C82 | C94 | C95 | H94 | 120.0° | 119.9° |
| C82 | C94 | C95 | H94A | 120.0° | 120.1° |
| C82 | C94 | C95 | C93 | 70.4° | 124.9° |
| C94 | C82 | C81 | H81 | 43.5° | 60.0° |
| C94 | C82 | C81 | H81A | 76.5° | 60.0° |
| C94 | C82 | H82 | H82A | 121.8° | 120.1° |
| C82 | C94 | H94 | H94A | 115.7° | 120.1° |
| N82 | N81 | C83 | C85 | 107.7° | 94.7° |
| N81 | N82 | N83 | C95 | 0.1° | 0.0° |
| N82 | N81 | C83 | C84 | 124.4° | 145.3° |
| N82 | N81 | C93 | C95 | 0.0° | 0.0° |
| N82 | N81 | C83 | H83 | 10.8° | 25.3° |
| N82 | N81 | C93 | H93 | 180.0° | 179.8° |
| C85 | C83 | C84 | H83 | 118.3° | 120.0° |
| C83 | C85 | C86 | O96 | 126.0° | 120.0° |
| C83 | C85 | C86 | H85 | 114.3° | 120.0° |
| C83 | C85 | O96 | H85 | 114.9° | 120.0° |
| C83 | C85 | C86 | C87 | 101.9° | 95.0° |
| C83 | C85 | C86 | C91 | 78.2° | 84.8° |
| C85 | C83 | C84 | H84 | 60.6° | 180.0° |
| C85 | C83 | C84 | H84A | 59.4° | 60.0° |
| C83 | C85 | O96 | HO96 | 180.0° | 60.0° |
| N82 | N83 | C95 | C94 | 179.9° | 179.9° |
| N82 | N83 | C95 | C93 | 0.2° | 0.0° |
| N83 | C95 | C94 | C93 | 179.6° | 179.9° |
| N83 | C95 | C93 | H93 | 179.9° | 179.8° |
| N83 | C95 | C94 | H94 | 10.0° | 174.9° |
| N83 | C95 | C94 | H94A | 130.0° | 65.0° |
| C84 | C83 | C85 | C86 | 179.7° | 60.0° |
| C84 | C83 | C85 | O96 | 55.4° | 180.0° |
| C83 | C84 | H84 | H84A | 120.7° | 120.0° |
| C84 | C83 | C85 | H85 | 64.1° | 60.0° |
| C86 | C85 | O96 | H85 | 116.5° | 120.0° |
| C85 | C86 | C87 | C91 | 179.8° | 179.8° |
| C85 | C86 | C87 | C88 | 179.8° | 180.0° |
| C85 | C86 | C91 | C90 | 179.6° | 179.7° |
| C86 | C85 | C83 | H83 | 65.5° | 60.0° |
| C85 | C86 | C87 | H87 | 0.2° | 0.0° |
| C85 | C86 | C91 | H91 | 0.5° | 0.0° |
| C86 | C85 | O96 | HO96 | 51.4° | 59.9° |
| O96 | C85 | C86 | C87 | 24.1° | 145.0° |
| O96 | C85 | C86 | C91 | 155.7° | 35.2° |
| O96 | C85 | C83 | H83 | 169.6° | 60.0° |
| C86 | C87 | C88 | H87 | 180.0° | 180.0° |
| C86 | C87 | C88 | C89 | 0.3° | 0.0° |
| C87 | C86 | C91 | C90 | 0.3° | 0.5° |
| C87 | C86 | C85 | H85 | 143.8° | 25.0° |
| C86 | C87 | C88 | H88 | 179.7° | 180.0° |
| C87 | C86 | C91 | H91 | 179.7° | 179.8° |
| C87 | C88 | C89 | S1 | 179.2° | 180.0° |
| C87 | C88 | C89 | H88 | 180.0° | 180.0° |
| C87 | C88 | C89 | C90 | 0.4° | 0.1° |
| C88 | C87 | C86 | C91 | 0.0° | 0.2° |
| S1 | C89 | C88 | C90 | 179.5° | 179.9° |
| S1 | C89 | C90 | C91 | 179.4° | 179.8° |
| C89 | S1 | O94 | O95 | 124.7° | 116.8° |
| S1 | C89 | C88 | H88 | 0.8° | 0.0° |
| S1 | C89 | C90 | H90 | 0.5° | 0.1° |
| C89 | S1 | C92 | H92 | 180.0° | 60.0° |
| C89 | S1 | C92 | H92A | 60.0° | 180.0° |
| C89 | S1 | C92 | H92B | 60.0° | 60.1° |
| C88 | C89 | C90 | C91 | 0.1° | 0.3° |
| C88 | C89 | S1 | O94 | 178.8° | 153.9° |
| C88 | C89 | S1 | O95 | 51.1° | 26.1° |
| C89 | C88 | C87 | H87 | 179.7° | 180.0° |
| C88 | C89 | C90 | H90 | 179.9° | 180.0° |
| C89 | C90 | C91 | C86 | 0.2° | 0.6° |
| C89 | C90 | C91 | H90 | 180.0° | 179.7° |
| C90 | C89 | S1 | O94 | 0.7° | 26.0° |
| C90 | C89 | S1 | O95 | 129.4° | 153.9° |
| C90 | C89 | C88 | H88 | 179.6° | 180.0° |
| C89 | C90 | C91 | H91 | 179.7° | 179.7° |
| C86 | C91 | C90 | H91 | 180.0° | 179.7° |
| C91 | C86 | C85 | H85 | 36.1° | 155.3° |
| C91 | C86 | C87 | H87 | 180.0° | 179.7° |
| C86 | C91 | C90 | H90 | 179.7° | 179.7° |
| C95 | C94 | C82 | H82 | 58.7° | 60.1° |
| C95 | C94 | C82 | H82A | 61.3° | 60.0° |
| C94 | C95 | C93 | H93 | 0.2° | 0.1° |
| C95 | C94 | H94 | H94A | 115.7° | 120.0° |
| O94 | S1 | C92 | H92 | 58.6° | 51.6° |
| O94 | S1 | C92 | H92A | 178.5° | 68.4° |
| O94 | S1 | C92 | H92B | 61.5° | 171.7° |
| C93 | C95 | C94 | H94 | 169.7° | 5.0° |
| C93 | C95 | C94 | H94A | 49.6° | 115.0° |
| O95 | S1 | C92 | H92 | 64.8° | 171.7° |
| O95 | S1 | C92 | H92A | 55.2° | 68.3° |
| O95 | S1 | C92 | H92B | 175.2° | 51.6° |
| H2 | C2 | C3 | H3 | 130.3° | 77.7° |
| H2 | C2 | C16 | H16 | 55.0° | 59.9° |
| H2 | C2 | C16 | H16A | 175.0° | 60.1° |
| H2 | C2 | C16 | H16B | 65.0° | 179.9° |
| H3 | C3 | C4 | H4 | 55.3° | 117.8° |
| H4 | C4 | C5 | H5 | 130.3° | 166.2° |
| H4 | C4 | C17 | H17 | 64.6° | 64.5° |
| H4 | C4 | C17 | H17A | 175.4° | 55.4° |
| H4 | C4 | C17 | H17B | 55.4° | 175.4° |
| H7 | C7 | C8 | H8 | 92.1° | 172.5° |
| H7A | C7 | C8 | H8 | 147.9° | 70.1° |
| H8 | C8 | C9 | H9 | 172.5° | 99.4° |
| H8 | C8 | C9 | H9A | 67.5° | 19.6° |
| H8 | C8 | C19 | H19 | 49.9° | 179.3° |
| H8 | C8 | C19 | H19A | 70.1° | 59.4° |
| H8 | C8 | C19 | H19B | 169.9° | 60.6° |
| H10 | C10 | C21 | H21 | 49.7° | 57.8° |
| H10 | C10 | C21 | H21A | 70.3° | 177.5° |
| H12 | C12 | C13 | H13 | 113.1° | 60.7° |
| H12 | C12 | C20 | H20 | 64.9° | 51.7° |
| H12 | C12 | C20 | H20A | 175.1° | 68.4° |
| H12 | C12 | C20 | H20B | 55.1° | 171.6° |
| H13 | C13 | O73 | HO73 | 65.7° | 54.0° |
| H15 | C15 | C24 | H24 | 129.5° | 63.6° |
| H15 | C15 | C24 | H351 | 110.5° | 176.4° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | H20A | H20B | 120.0° | 119.9° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 60.0° | 60.0° |
| H24 | C24 | C25 | H25A | 180.0° | 179.9° |
| H24 | C24 | C25 | H381 | 60.0° | 60.0° |
| H351 | C24 | C25 | H25 | 60.0° | 60.0° |
| H351 | C24 | C25 | H25A | 60.0° | 60.1° |
| H351 | C24 | C25 | H381 | 180.0° | 180.0° |
| H25 | C25 | H25A | H381 | 120.0° | 120.0° |
| H28 | C28 | C30 | H30 | 178.4° | 79.5° |
| H28 | C28 | O77 | HO77 | 60.0° | 62.6° |
| H30 | C30 | C32 | H32 | 63.2° | 56.5° |
| H30 | C30 | C32 | H32A | 176.8° | 63.5° |
| H30 | C30 | C32 | H32B | 56.8° | 176.5° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| H34 | C34 | H34A | H34B | 119.9° | 120.0° |
| H35 | C35 | H35A | H35B | 120.0° | 119.9° |
| H38 | C38 | H38A | H38B | 120.0° | 120.1° |
| H39 | C39 | C40 | H40 | 178.3° | 177.7° |
| H40 | C40 | C43 | H43 | 176.1° | 177.0° |
| H40 | C40 | O44 | HO44 | 58.6° | 60.1° |
| H43 | C43 | C45 | H45 | 58.8° | 57.0° |
| H43 | C43 | C45 | H45A | 178.8° | 177.1° |
| H45 | C45 | C47 | H47 | 57.1° | 57.5° |
| H45A | C45 | C47 | H47 | 177.1° | 177.7° |
| H47 | C47 | C48 | H48 | 60.5° | 60.1° |
| H47 | C47 | C48 | H48A | 179.5° | 59.9° |
| H47 | C47 | C48 | H48B | 59.5° | 180.0° |
| H48 | C48 | H48A | H48B | 120.0° | 120.0° |
| H50 | C50 | H50A | H50B | 120.0° | 120.0° |
| H81 | C81 | C82 | H82 | 163.5° | 180.0° |
| H81 | C81 | C82 | H82A | 76.5° | 60.0° |
| H81A | C81 | C82 | H82 | 43.5° | 60.0° |
| H81A | C81 | C82 | H82A | 163.5° | 180.0° |
| H82 | C82 | C94 | H94 | 178.6° | 180.0° |
| H82 | C82 | C94 | H94A | 61.3° | 60.0° |
| H82A | C82 | C94 | H94 | 58.7° | 59.9° |
| H82A | C82 | C94 | H94A | 178.7° | NaN° |
| H83 | C83 | C84 | H84 | 178.9° | 60.0° |
| H83 | C83 | C84 | H84A | 58.9° | 180.0° |
| H83 | C83 | C85 | H85 | 50.2° | 180.0° |
| H85 | C85 | O96 | HO96 | 65.1° | 180.0° |
| H87 | C87 | C88 | H88 | 0.3° | 0.0° |
| H90 | C90 | C91 | H91 | 0.3° | 0.1° |
| H92 | C92 | H92A | H92B | 120.0° | 119.9° |
