EM1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | O5 | sing | 1.49Å | 1.44Å | |
| C2 | C3 | sing | 1.45Å | 1.55Å | |
| C3 | C7 | sing | 1.51Å | 1.51Å | |
| C3 | N6 | sing | 1.48Å | 1.47Å | |
| C4 | C2 | sing | 1.56Å | 1.53Å | |
| O5 | C10 | sing | 1.38Å | 1.41Å | |
| N6 | C10 | sing | 1.33Å | 1.50Å | |
| N6 | C11 | sing | 1.43Å | 1.44Å | |
| C7 | C13 | sing | 1.51Å | 1.50Å | |
| C7 | C12 | sing | 1.57Å | 1.56Å | |
| C8 | C4 | sing | 1.51Å | 1.53Å | |
| O9 | C4 | sing | 1.47Å | 1.40Å | |
| C10 | O16 | doub | 1.24Å | 1.37Å | |
| C13 | O18 | doub | 1.22Å | 1.21Å | |
| C14 | C8 | sing | 1.53Å | 1.51Å | |
| C15 | O9 | sing | 1.34Å | 1.33Å | |
| C15 | O20 | doub | 1.24Å | 1.20Å | |
| C17 | C11 | sing | 1.53Å | 1.54Å | |
| C19 | C13 | sing | 1.52Å | 1.52Å | |
| C21 | C15 | sing | 1.47Å | 1.51Å | |
| C21 | C26 | sing | 1.51Å | 1.54Å | |
| C23 | C19 | sing | 1.53Å | 1.52Å | |
| C24 | C19 | sing | 1.47Å | 1.54Å | |
| C25 | C21 | sing | 1.52Å | 1.53Å | |
| F25 | C21 | sing | 1.41Å | 1.34Å | |
| C26 | C30 | sing | 1.46Å | 1.49Å | |
| C26 | O29 | doub | 1.21Å | 1.19Å | |
| C28 | C24 | sing | 1.45Å | 1.54Å | |
| C28 | C33 | sing | 1.58Å | 1.52Å | |
| C30 | C34 | sing | 1.53Å | 1.55Å | |
| O32 | C28 | sing | 1.50Å | 1.39Å | |
| O32 | C38 | sing | 1.43Å | 1.40Å | |
| C34 | C28 | sing | 1.54Å | 1.57Å | |
| C35 | C30 | sing | 1.53Å | 1.52Å | |
| O39 | C34 | sing | 1.40Å | 1.41Å | |
| C42 | O39 | sing | 1.43Å | 1.39Å | |
| C42 | O45 | sing | 1.43Å | 1.39Å | |
| C44 | C42 | sing | 1.53Å | 1.55Å | |
| O48 | C44 | sing | 1.43Å | 1.38Å | |
| C49 | C44 | sing | 1.53Å | 1.55Å | |
| C49 | C54 | sing | 1.53Å | 1.52Å | |
| C50 | O45 | sing | 1.43Å | 1.40Å | |
| C50 | C55 | sing | 1.53Å | 1.51Å | |
| N53 | C49 | sing | 1.47Å | 1.48Å | |
| N53 | C57 | sing | 1.47Å | 1.48Å | |
| C54 | C50 | sing | 1.53Å | 1.53Å | |
| C58 | N53 | sing | 1.47Å | 1.48Å | |
| N71 | C72 | sing | 1.40Å | 1.38Å | |
| C72 | C73 | sing | 1.39Å | 1.40Å | Aromatic |
| C73 | C74 | doub | 1.38Å | 1.38Å | Aromatic |
| C75 | C74 | sing | 1.38Å | 1.38Å | Aromatic |
| C76 | C75 | doub | 1.39Å | 1.39Å | Aromatic |
| C77 | C72 | doub | 1.39Å | 1.40Å | Aromatic |
| C77 | C76 | sing | 1.39Å | 1.39Å | Aromatic |
| C78 | C76 | sing | 1.48Å | 1.44Å | Aromatic |
| C78 | C79 | doub | 1.36Å | 1.39Å | Aromatic |
| N80 | C79 | sing | 1.35Å | 1.38Å | Aromatic |
| N80 | C83 | sing | 1.46Å | 1.47Å | |
| N81 | N80 | sing | 1.29Å | 1.37Å | Aromatic |
| N82 | C78 | sing | 1.35Å | 1.41Å | Aromatic |
| N82 | N81 | doub | 1.29Å | 1.28Å | Aromatic |
| C83 | C84 | sing | 1.53Å | 1.53Å | |
| C84 | C17 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.18Å | 1.10Å | |
| C4 | H4 | sing | 1.07Å | 1.10Å | |
| C7 | H7 | sing | 1.12Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.12Å | 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 | 1.17Å | 1.10Å | |
| C24 | H24A | sing | 1.13Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.14Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.11Å | 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 | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| O48 | HO48 | sing | 0.97Å | 0.95Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| C55 | H55B | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C57 | H57A | sing | 1.09Å | 1.10Å | |
| C57 | H57B | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C58 | H58B | sing | 1.09Å | 1.10Å | |
| N71 | HN71 | sing | 0.97Å | 1.00Å | |
| N71 | HN7A | sing | 0.97Å | 1.00Å | |
| C73 | H73 | sing | 1.08Å | 1.08Å | |
| C74 | H74 | sing | 1.08Å | 1.08Å | |
| C75 | H75 | sing | 1.08Å | 1.08Å | |
| C77 | H77 | sing | 1.08Å | 1.08Å | |
| C79 | H79 | sing | 1.08Å | 1.08Å | |
| C83 | H83 | sing | 1.09Å | 1.10Å | |
| C83 | H83A | sing | 1.09Å | 1.10Å | |
| C84 | H84 | sing | 1.09Å | 1.10Å | |
| C84 | H84A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O5 | 106.9° | 106.1° |
| C1 | C2 | C3 | 106.8° | 115.3° |
| C1 | C2 | C4 | 114.0° | 107.8° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.4° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| O5 | C2 | C3 | 98.3° | 105.8° |
| O5 | C2 | C4 | 104.6° | 107.2° |
| C2 | O5 | C10 | 109.5° | 102.8° |
| C2 | C3 | C7 | 128.0° | 119.1° |
| C2 | C3 | N6 | 96.8° | 106.2° |
| C3 | C2 | C4 | 123.8° | 114.2° |
| C2 | C3 | H3 | 130.1° | 107.8° |
| C7 | C3 | N6 | 132.9° | 111.6° |
| C3 | C7 | C13 | 134.1° | 111.4° |
| C3 | C7 | C12 | 95.0° | 110.4° |
| C7 | C3 | H3 | 44.0° | 104.5° |
| C3 | C7 | H7 | 102.7° | 111.2° |
| C3 | N6 | C10 | 93.8° | 103.6° |
| C3 | N6 | C11 | 130.2° | 130.1° |
| N6 | C3 | H3 | 119.2° | 107.0° |
| C2 | C4 | C8 | 109.8° | 112.8° |
| C2 | C4 | O9 | 107.8° | 109.3° |
| C2 | C4 | H4 | 109.4° | 106.1° |
| O5 | C10 | N6 | 100.7° | 117.5° |
| O5 | C10 | O16 | 109.7° | 118.0° |
| C10 | N6 | C11 | 114.1° | 126.2° |
| N6 | C10 | O16 | 113.6° | 124.5° |
| N6 | C11 | C17 | 109.7° | 109.5° |
| N6 | C11 | H11 | 109.4° | 109.5° |
| N6 | C11 | H11A | 109.4° | 109.5° |
| C13 | C7 | C12 | 103.2° | 112.5° |
| C7 | C13 | O18 | 122.9° | 113.7° |
| C7 | C13 | C19 | 116.1° | 125.8° |
| C13 | C7 | H7 | 94.4° | 105.9° |
| C12 | C7 | H7 | 133.8° | 105.2° |
| C7 | C12 | H12 | 109.5° | 109.5° |
| C7 | C12 | H12A | 109.4° | 109.4° |
| C7 | C12 | H12B | 109.5° | 109.5° |
| C8 | C4 | O9 | 106.5° | 110.8° |
| C4 | C8 | C14 | 109.1° | 109.5° |
| C8 | C4 | H4 | 110.7° | 108.2° |
| C4 | C8 | H8 | 109.6° | 109.6° |
| C4 | C8 | H8A | 109.6° | 109.4° |
| C4 | O9 | C15 | 114.8° | 119.7° |
| O9 | C4 | H4 | 112.6° | 109.5° |
| O18 | C13 | C19 | 120.8° | 119.8° |
| C14 | C8 | H8 | 109.6° | 109.5° |
| C14 | C8 | H8A | 109.6° | 109.4° |
| C8 | C14 | H14 | 109.5° | 109.5° |
| C8 | C14 | H14A | 109.5° | 109.5° |
| C8 | C14 | H14B | 109.5° | 109.4° |
| O9 | C15 | O20 | 122.6° | 118.2° |
| O9 | C15 | C21 | 111.2° | 118.6° |
| O20 | C15 | C21 | 124.0° | 123.1° |
| C11 | C17 | C84 | 119.9° | 109.5° |
| C17 | C11 | H11 | 109.4° | 109.5° |
| C17 | C11 | H11A | 109.4° | 109.5° |
| C11 | C17 | H17 | 106.1° | 109.4° |
| C11 | C17 | H17A | 106.1° | 109.5° |
| C13 | C19 | C23 | 109.9° | 112.1° |
| C13 | C19 | C24 | 110.7° | 109.8° |
| C13 | C19 | H19 | 107.4° | 107.9° |
| C15 | C21 | C26 | 105.1° | 108.6° |
| C15 | C21 | C25 | 108.2° | 109.9° |
| C15 | C21 | F25 | 109.5° | 111.8° |
| C26 | C21 | C25 | 107.4° | 107.3° |
| C26 | C21 | F25 | 115.4° | 106.6° |
| C21 | C26 | C30 | 122.5° | 124.4° |
| C21 | C26 | O29 | 116.8° | 117.4° |
| C23 | C19 | C24 | 106.1° | 113.0° |
| C23 | C19 | H19 | 111.8° | 103.6° |
| C19 | C23 | H23 | 109.5° | 109.4° |
| C19 | C23 | H23A | 109.5° | 109.5° |
| C19 | C23 | H23B | 109.5° | 109.4° |
| C19 | C24 | C28 | 120.1° | 124.4° |
| C24 | C19 | H19 | 111.1° | 110.2° |
| C19 | C24 | H24 | 106.1° | 104.3° |
| C19 | C24 | H24A | 106.1° | 104.5° |
| C25 | C21 | F25 | 110.9° | 112.4° |
| C21 | C25 | H25 | 109.5° | 109.5° |
| C21 | C25 | H25A | 109.5° | 109.5° |
| C21 | C25 | H25B | 109.4° | 109.5° |
| C30 | C26 | O29 | 120.8° | 118.1° |
| C26 | C30 | C34 | 110.0° | 109.5° |
| C26 | C30 | C35 | 100.4° | 112.3° |
| C26 | C30 | H30 | 116.1° | 108.7° |
| C24 | C28 | C33 | 112.8° | 112.2° |
| C24 | C28 | O32 | 104.7° | 108.1° |
| C24 | C28 | C34 | 111.8° | 114.2° |
| C28 | C24 | H24 | 106.1° | 109.6° |
| C28 | C24 | H24A | 106.1° | 108.3° |
| C33 | C28 | O32 | 113.6° | 105.5° |
| C33 | C28 | C34 | 107.6° | 110.6° |
| C28 | C33 | H33 | 109.5° | 109.5° |
| C28 | C33 | H33A | 109.5° | 109.5° |
| C28 | C33 | H33B | 109.5° | 109.5° |
| C30 | C34 | C28 | 112.7° | 114.1° |
| C34 | C30 | C35 | 112.9° | 107.0° |
| C30 | C34 | O39 | 108.8° | 111.6° |
| C34 | C30 | H30 | 104.3° | 107.7° |
| C30 | C34 | H34 | 106.2° | 108.1° |
| C28 | O32 | C38 | 116.9° | 114.0° |
| O32 | C28 | C34 | 106.1° | 105.6° |
| O32 | C38 | H38 | 109.5° | 109.5° |
| O32 | C38 | H38A | 109.5° | 109.5° |
| O32 | C38 | H38B | 109.5° | 109.4° |
| C28 | C34 | O39 | 104.0° | 108.9° |
| C28 | C34 | H34 | 110.8° | 107.6° |
| C35 | C30 | H30 | 113.4° | 111.4° |
| C30 | C35 | H35 | 109.5° | 109.5° |
| C30 | C35 | H35A | 109.4° | 109.4° |
| C30 | C35 | H35B | 109.5° | 109.5° |
| C34 | O39 | C42 | 114.7° | 114.0° |
| O39 | C34 | H34 | 114.5° | 106.2° |
| O39 | C42 | O45 | 100.3° | 109.5° |
| O39 | C42 | C44 | 110.0° | 109.5° |
| O39 | C42 | H42 | 113.8° | 109.5° |
| O45 | C42 | C44 | 105.9° | 109.4° |
| C42 | O45 | C50 | 108.0° | 114.1° |
| O45 | C42 | H42 | 117.4° | 109.5° |
| C42 | C44 | O48 | 103.9° | 109.6° |
| C42 | C44 | C49 | 102.3° | 109.2° |
| C44 | C42 | H42 | 108.9° | 109.4° |
| C42 | C44 | H44 | 116.5° | 109.5° |
| O48 | C44 | C49 | 107.2° | 109.6° |
| O48 | C44 | H44 | 112.3° | 109.5° |
| C44 | O48 | HO48 | 109.5° | 114.0° |
| C44 | C49 | C54 | 107.5° | 109.1° |
| C44 | C49 | N53 | 111.8° | 109.6° |
| C49 | C44 | H44 | 113.6° | 109.5° |
| C44 | C49 | H49 | 110.2° | 109.6° |
| C54 | C49 | N53 | 112.1° | 109.5° |
| C49 | C54 | C50 | 111.9° | 109.1° |
| C54 | C49 | H49 | 109.9° | 109.5° |
| C49 | C54 | H54 | 108.7° | 109.6° |
| C49 | C54 | H54A | 108.6° | 109.5° |
| O45 | C50 | C55 | 104.2° | 109.5° |
| O45 | C50 | C54 | 112.7° | 109.4° |
| O45 | C50 | H50 | 110.3° | 109.5° |
| C55 | C50 | C54 | 107.8° | 109.5° |
| C55 | C50 | H50 | 115.0° | 109.5° |
| C50 | C55 | H55 | 109.5° | 109.5° |
| C50 | C55 | H55A | 109.5° | 109.5° |
| C50 | C55 | H55B | 109.5° | 109.5° |
| C49 | N53 | C57 | 111.3° | 111.0° |
| C49 | N53 | C58 | 108.8° | 111.1° |
| N53 | C49 | H49 | 105.3° | 109.6° |
| C57 | N53 | C58 | 109.2° | 111.0° |
| N53 | C57 | H57 | 109.5° | 109.4° |
| N53 | C57 | H57A | 109.5° | 109.5° |
| N53 | C57 | H57B | 109.5° | 109.4° |
| C54 | C50 | H50 | 106.9° | 109.5° |
| C50 | C54 | H54 | 108.7° | 109.5° |
| C50 | C54 | H54A | 108.7° | 109.5° |
| N53 | C58 | H58 | 109.5° | 109.4° |
| N53 | C58 | H58A | 109.4° | 109.5° |
| N53 | C58 | H58B | 109.4° | 109.5° |
| N71 | C72 | C73 | 117.4° | 120.0° |
| N71 | C72 | C77 | 122.4° | 120.0° |
| C72 | N71 | HN71 | 109.5° | 120.0° |
| C72 | N71 | HN7A | 109.5° | 120.0° |
| C72 | C73 | C74 | 120.3° | 120.2° |
| C73 | C72 | C77 | 120.1° | 119.9° |
| C72 | C73 | H73 | 119.9° | 119.9° |
| C73 | C74 | C75 | 120.3° | 120.2° |
| C74 | C73 | H73 | 119.9° | 119.9° |
| C73 | C74 | H74 | 119.9° | 119.9° |
| C74 | C75 | C76 | 119.9° | 120.0° |
| C75 | C74 | H74 | 119.8° | 119.9° |
| C74 | C75 | H75 | 120.1° | 120.0° |
| C75 | C76 | C77 | 121.1° | 119.8° |
| C75 | C76 | C78 | 116.8° | 120.1° |
| C76 | C75 | H75 | 120.1° | 120.0° |
| C72 | C77 | C76 | 118.4° | 119.8° |
| C72 | C77 | H77 | 120.8° | 120.1° |
| C77 | C76 | C78 | 122.1° | 120.1° |
| C76 | C77 | H77 | 120.8° | 120.1° |
| C76 | C78 | C79 | 128.3° | 126.9° |
| C76 | C78 | N82 | 124.6° | 126.8° |
| C78 | C79 | N80 | 105.1° | 106.1° |
| C79 | C78 | N82 | 107.0° | 106.2° |
| C78 | C79 | H79 | 127.4° | 127.0° |
| C79 | N80 | C83 | 126.5° | 125.7° |
| C79 | N80 | N81 | 109.2° | 108.5° |
| N80 | C79 | H79 | 127.4° | 127.0° |
| C83 | N80 | N81 | 124.3° | 125.8° |
| N80 | C83 | C84 | 107.2° | 109.5° |
| N80 | C83 | H83 | 110.2° | 109.4° |
| N80 | C83 | H83A | 110.2° | 109.5° |
| N80 | N81 | N82 | 109.3° | 110.5° |
| C78 | N82 | N81 | 109.3° | 108.7° |
| C83 | C84 | C17 | 108.6° | 109.5° |
| C84 | C83 | H83 | 110.2° | 109.5° |
| C84 | C83 | H83A | 110.2° | 109.5° |
| C83 | C84 | H84 | 109.8° | 109.5° |
| C83 | C84 | H84A | 109.8° | 109.4° |
| C84 | C17 | H17 | 106.2° | 109.5° |
| C84 | C17 | H17A | 106.1° | 109.5° |
| C17 | C84 | H84 | 109.8° | 109.5° |
| C17 | C84 | H84A | 109.8° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| H11 | C11 | H11A | 109.6° | 109.4° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| H17 | C17 | H17A | 112.6° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.4° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H24 | C24 | H24A | 112.7° | 103.9° |
| H25 | C25 | H25A | 109.4° | 109.5° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.4° |
| H33 | C33 | H33A | 109.5° | 109.4° |
| H33 | C33 | H33B | 109.4° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.4° |
| H35 | C35 | H35A | 109.4° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H38 | C38 | H38B | 109.4° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H54 | C54 | H54A | 110.3° | 109.6° |
| H55 | C55 | H55A | 109.5° | 109.4° |
| H55 | C55 | H55B | 109.4° | 109.5° |
| H55A | C55 | H55B | 109.5° | 109.5° |
| H57 | C57 | H57A | 109.5° | 109.5° |
| H57 | C57 | H57B | 109.5° | 109.5° |
| H57A | C57 | H57B | 109.5° | 109.5° |
| H58 | C58 | H58A | 109.5° | 109.5° |
| H58 | C58 | H58B | 109.5° | 109.5° |
| H58A | C58 | H58B | 109.5° | 109.5° |
| HN71 | N71 | HN7A | 109.5° | 120.1° |
| H83 | C83 | H83A | 108.7° | 109.4° |
| H84 | C84 | H84A | 109.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O5 | C3 | 110.5° | 122.9° |
| C1 | C2 | O5 | C4 | 121.3° | 114.9° |
| C1 | C2 | C3 | C4 | 135.6° | 125.6° |
| C1 | C2 | C3 | C7 | 7.7° | 10.2° |
| C1 | C2 | C3 | N6 | 156.7° | 137.1° |
| C1 | C2 | O5 | C10 | 122.8° | 137.0° |
| C1 | C2 | C4 | C8 | 71.8° | 84.6° |
| C1 | C2 | C4 | O9 | 43.8° | 39.1° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 65.3° | 108.5° |
| C1 | C2 | C4 | H4 | 166.5° | 157.1° |
| O5 | C2 | C3 | C4 | 113.9° | 117.6° |
| O5 | C2 | C3 | C7 | 118.2° | 106.7° |
| O5 | C2 | C3 | N6 | 46.2° | 20.3° |
| C2 | O5 | C10 | N6 | 25.4° | 2.2° |
| O5 | C2 | C4 | C8 | 44.7° | 29.2° |
| O5 | C2 | C4 | O9 | 160.2° | 152.9° |
| C2 | O5 | C10 | O16 | 145.4° | 179.4° |
| O5 | C2 | C1 | H1 | 180.0° | 58.5° |
| O5 | C2 | C1 | H1A | 60.0° | 178.5° |
| O5 | C2 | C1 | H1B | 60.0° | 61.5° |
| O5 | C2 | C3 | H3 | 175.9° | 134.6° |
| O5 | C2 | C4 | H4 | 77.0° | 89.2° |
| C2 | C3 | C7 | N6 | 158.7° | 124.4° |
| C2 | C3 | C7 | H3 | 111.6° | 120.4° |
| C2 | C3 | N6 | H3 | 144.1° | 114.9° |
| C3 | C2 | O5 | C10 | 12.4° | 14.1° |
| C2 | C3 | N6 | C10 | 60.6° | 18.7° |
| C2 | C3 | N6 | C11 | 173.1° | 158.6° |
| C2 | C3 | C7 | C13 | 155.2° | 139.1° |
| C2 | C3 | C7 | C12 | 91.0° | 95.1° |
| C3 | C2 | C4 | C8 | 155.4° | 145.9° |
| C3 | C2 | C4 | O9 | 89.0° | 90.4° |
| C3 | C2 | C1 | H1 | 75.5° | 58.1° |
| C3 | C2 | C1 | H1A | 164.5° | 61.9° |
| C3 | C2 | C1 | H1B | 44.5° | 178.2° |
| C3 | C2 | C4 | H4 | 33.8° | 27.6° |
| C2 | C3 | C7 | H7 | 46.1° | 21.3° |
| C7 | C3 | N6 | H3 | 52.7° | 113.7° |
| C7 | C3 | C2 | C4 | 127.9° | 135.8° |
| C7 | C3 | N6 | C10 | 102.6° | 112.7° |
| C7 | C3 | N6 | C11 | 23.7° | 70.1° |
| C3 | C7 | C13 | C12 | 110.5° | 124.6° |
| C3 | C7 | C13 | H7 | 112.5° | 121.0° |
| C3 | C7 | C12 | H7 | 112.9° | 120.0° |
| C3 | C7 | C13 | O18 | 42.6° | 36.6° |
| C3 | C7 | C13 | C19 | 142.2° | 152.6° |
| C3 | C7 | C12 | H12 | 180.0° | 65.4° |
| C3 | C7 | C12 | H12A | 60.0° | 174.6° |
| C3 | C7 | C12 | H12B | 60.0° | 54.6° |
| N6 | C3 | C2 | C4 | 67.7° | 97.3° |
| C3 | N6 | C10 | O5 | 53.9° | 10.3° |
| C3 | N6 | C10 | C11 | 137.6° | 177.4° |
| N6 | C3 | C7 | C13 | 46.1° | 96.5° |
| N6 | C3 | C7 | C12 | 67.7° | 29.3° |
| C3 | N6 | C10 | O16 | 171.1° | 168.1° |
| C3 | N6 | C11 | C17 | 128.5° | 93.9° |
| N6 | C3 | C7 | H7 | 155.3° | 145.6° |
| C3 | N6 | C11 | H11 | 8.5° | 26.1° |
| C3 | N6 | C11 | H11A | 111.5° | 146.0° |
| C4 | C2 | O5 | C10 | 115.9° | 108.1° |
| C2 | C4 | C8 | O9 | 116.4° | 122.9° |
| C2 | C4 | C8 | H4 | 120.9° | 117.1° |
| C2 | C4 | O9 | H4 | 120.8° | 115.9° |
| C2 | C4 | C8 | C14 | 169.9° | 175.0° |
| C2 | C4 | O9 | C15 | 106.4° | 121.7° |
| C4 | C2 | C1 | H1 | 64.9° | 173.1° |
| C4 | C2 | C1 | H1A | 55.1° | 67.0° |
| C4 | C2 | C1 | H1B | 175.1° | 53.0° |
| C4 | C2 | C3 | H3 | 70.2° | 17.1° |
| C2 | C4 | C8 | H8 | 70.2° | 55.0° |
| C2 | C4 | C8 | H8A | 49.8° | 65.0° |
| O5 | C10 | N6 | O16 | 117.2° | 178.4° |
| O5 | C10 | N6 | C11 | 168.5° | 167.1° |
| C10 | N6 | C11 | C17 | 113.2° | 82.8° |
| C10 | N6 | C3 | H3 | 155.3° | 133.6° |
| C10 | N6 | C11 | H11 | 126.8° | 157.2° |
| C10 | N6 | C11 | H11A | 6.8° | 37.2° |
| C11 | N6 | C10 | O16 | 51.3° | 14.5° |
| N6 | C11 | C17 | H11 | 120.0° | 120.0° |
| N6 | C11 | C17 | H11A | 120.0° | 120.0° |
| N6 | C11 | C17 | C84 | 38.8° | 175.1° |
| C11 | N6 | C3 | H3 | 29.0° | 43.7° |
| N6 | C11 | H11 | H11A | 119.9° | 120.0° |
| N6 | C11 | C17 | H17 | 158.8° | 55.2° |
| N6 | C11 | C17 | H17A | 81.2° | 64.9° |
| C13 | C7 | C12 | H7 | 109.5° | 114.9° |
| C7 | C13 | O18 | C19 | 175.0° | 171.4° |
| C7 | C13 | C19 | C23 | 54.1° | 5.8° |
| C7 | C13 | C19 | C24 | 62.7° | 120.7° |
| C13 | C7 | C3 | H3 | 43.7° | 18.8° |
| C13 | C7 | C12 | H12 | 42.5° | 59.7° |
| C13 | C7 | C12 | H12A | 162.4° | 60.3° |
| C13 | C7 | C12 | H12B | 77.5° | 179.7° |
| C7 | C13 | C19 | H19 | 175.9° | 119.2° |
| C12 | C7 | C13 | O18 | 67.9° | 88.0° |
| C12 | C7 | C13 | C19 | 107.3° | 82.8° |
| C12 | C7 | C3 | H3 | 157.5° | 144.5° |
| C7 | C12 | H12 | H12A | 120.0° | 119.9° |
| C7 | C12 | H12 | H12B | 120.0° | 120.0° |
| C7 | C12 | H12A | H12B | 120.0° | 120.1° |
| C8 | C4 | O9 | H4 | 121.4° | 119.3° |
| C4 | C8 | C14 | H8 | 120.0° | 120.1° |
| C4 | C8 | C14 | H8A | 120.0° | 119.9° |
| C8 | C4 | O9 | C15 | 135.9° | 113.4° |
| C4 | C8 | H8 | H8A | 120.2° | 120.0° |
| C4 | C8 | C14 | H14 | 180.0° | 180.0° |
| C4 | C8 | C14 | H14A | 60.0° | 59.9° |
| C4 | C8 | C14 | H14B | 60.0° | 60.1° |
| O9 | C4 | C8 | C14 | 53.4° | 62.1° |
| C4 | O9 | C15 | O20 | 12.6° | 1.4° |
| C4 | O9 | C15 | C21 | 176.4° | 175.5° |
| O9 | C4 | C8 | H8 | 173.4° | 177.9° |
| O9 | C4 | C8 | H8A | 66.6° | 57.8° |
| O18 | C13 | C19 | C23 | 121.2° | 164.5° |
| O18 | C13 | C19 | C24 | 122.0° | 69.0° |
| O18 | C13 | C7 | H7 | 155.1° | 157.6° |
| O18 | C13 | C19 | H19 | 0.6° | 51.1° |
| C14 | C8 | C4 | H4 | 69.2° | 57.9° |
| C14 | C8 | H8 | H8A | 120.1° | 119.9° |
| C8 | C14 | H14 | H14A | 120.0° | 120.1° |
| C8 | C14 | H14 | H14B | 120.0° | 119.9° |
| C8 | C14 | H14A | H14B | 120.0° | 119.9° |
| O9 | C15 | O20 | C21 | 161.6° | 176.8° |
| O9 | C15 | C21 | C26 | 131.5° | 139.3° |
| O9 | C15 | C21 | C25 | 114.0° | 103.6° |
| O9 | C15 | C21 | F25 | 6.9° | 21.9° |
| C15 | O9 | C4 | H4 | 14.4° | 5.9° |
| O20 | C15 | C21 | C26 | 31.9° | 43.9° |
| O20 | C15 | C21 | C25 | 82.6° | 73.2° |
| O20 | C15 | C21 | F25 | 156.5° | 161.3° |
| C11 | C17 | C84 | C83 | 177.3° | 179.9° |
| C11 | C17 | C84 | H17 | 120.0° | 120.0° |
| C11 | C17 | C84 | H17A | 120.0° | 120.0° |
| C17 | C11 | H11 | H11A | 119.9° | 120.0° |
| C11 | C17 | H17 | H17A | 115.7° | 120.0° |
| C11 | C17 | C84 | H84 | 62.7° | 60.0° |
| C11 | C17 | C84 | H84A | 57.3° | 60.0° |
| C13 | C19 | C23 | C24 | 119.7° | 124.7° |
| C13 | C19 | C23 | H19 | 119.1° | 116.0° |
| C13 | C19 | C24 | H19 | 119.1° | 118.7° |
| C13 | C19 | C24 | C28 | 59.9° | 66.7° |
| C19 | C13 | C7 | H7 | 29.7° | 31.6° |
| C13 | C19 | C23 | H23 | 180.0° | 59.1° |
| C13 | C19 | C23 | H23A | 60.0° | 179.1° |
| C13 | C19 | C23 | H23B | 60.0° | 60.9° |
| C13 | C19 | C24 | H24 | 60.1° | 166.8° |
| C13 | C19 | C24 | H24A | 179.9° | 57.9° |
| C15 | C21 | C26 | C25 | 115.0° | 118.7° |
| C15 | C21 | C26 | F25 | 120.7° | 120.7° |
| C15 | C21 | C25 | F25 | 120.1° | 125.2° |
| C15 | C21 | C26 | C30 | 119.7° | 106.2° |
| C15 | C21 | C26 | O29 | 60.1° | 78.2° |
| C15 | C21 | C25 | H25 | 180.0° | 60.0° |
| C15 | C21 | C25 | H25A | 60.0° | 180.0° |
| C15 | C21 | C25 | H25B | 60.0° | 60.0° |
| C26 | C21 | C25 | F25 | 127.0° | 116.9° |
| C21 | C26 | C30 | O29 | 179.8° | 175.6° |
| C21 | C26 | C30 | C34 | 159.5° | 104.7° |
| C21 | C26 | C30 | C35 | 81.2° | 136.5° |
| C26 | C21 | C25 | H25 | 67.0° | 177.9° |
| C26 | C21 | C25 | H25A | 52.9° | 62.1° |
| C26 | C21 | C25 | H25B | 173.0° | 57.9° |
| C21 | C26 | C30 | H30 | 41.4° | 12.7° |
| C23 | C19 | C24 | H19 | 121.7° | 115.4° |
| C23 | C19 | C24 | C28 | 179.0° | 59.2° |
| C19 | C23 | H23 | H23A | 120.0° | 120.1° |
| C19 | C23 | H23 | H23B | 120.0° | 119.9° |
| C19 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C19 | C24 | H24 | 59.0° | 67.3° |
| C23 | C19 | C24 | H24A | 61.0° | 176.1° |
| C19 | C24 | C28 | H24 | 120.0° | 124.2° |
| C19 | C24 | C28 | H24A | 120.0° | 123.0° |
| C19 | C24 | C28 | C33 | 45.9° | 8.2° |
| C19 | C24 | C28 | O32 | 78.1° | 107.8° |
| C19 | C24 | C28 | C34 | 167.4° | 135.0° |
| C24 | C19 | C23 | H23 | 60.3° | 176.2° |
| C24 | C19 | C23 | H23A | 59.7° | 56.2° |
| C24 | C19 | C23 | H23B | 179.6° | 63.9° |
| C19 | C24 | H24 | H24A | 115.6° | 109.2° |
| C25 | C21 | C26 | C30 | 125.2° | 135.1° |
| C25 | C21 | C26 | O29 | 55.0° | 40.5° |
| C21 | C25 | H25 | H25A | 120.0° | 120.0° |
| C21 | C25 | H25 | H25B | 120.0° | 120.0° |
| C21 | C25 | H25A | H25B | 120.0° | 120.0° |
| F25 | C21 | C26 | C30 | 1.0° | 14.5° |
| F25 | C21 | C26 | O29 | 179.2° | 161.1° |
| F25 | C21 | C25 | H25 | 59.9° | 65.2° |
| F25 | C21 | C25 | H25A | 179.9° | 54.9° |
| F25 | C21 | C25 | H25B | 60.0° | 174.8° |
| C26 | C30 | C34 | C35 | 111.2° | 122.0° |
| C26 | C30 | C34 | H30 | 125.2° | 118.1° |
| C26 | C30 | C34 | C28 | 71.8° | 116.9° |
| C26 | C30 | C35 | H30 | 124.5° | 122.2° |
| C26 | C30 | C34 | O39 | 173.4° | 119.2° |
| C26 | C30 | C34 | H34 | 49.7° | 2.8° |
| C26 | C30 | C35 | H35 | 180.0° | 60.0° |
| C26 | C30 | C35 | H35A | 60.0° | 180.0° |
| C26 | C30 | C35 | H35B | 60.0° | 60.0° |
| O29 | C26 | C30 | C34 | 20.3° | 79.7° |
| O29 | C26 | C30 | C35 | 98.9° | 39.1° |
| O29 | C26 | C30 | H30 | 138.4° | 162.8° |
| C24 | C28 | C33 | O32 | 119.0° | 117.5° |
| C24 | C28 | C33 | C34 | 123.8° | 128.8° |
| C24 | C28 | C34 | C30 | 69.1° | 177.5° |
| C24 | C28 | O32 | C34 | 118.4° | 122.6° |
| C24 | C28 | O32 | C38 | 112.0° | 53.9° |
| C24 | C28 | C34 | O39 | 48.6° | 52.2° |
| C28 | C24 | C19 | H19 | 59.3° | 174.6° |
| C28 | C24 | H24 | H24A | 115.7° | 115.6° |
| C24 | C28 | C33 | H33 | 180.0° | 68.4° |
| C24 | C28 | C33 | H33A | 60.0° | 171.6° |
| C24 | C28 | C33 | H33B | 60.0° | 51.7° |
| C24 | C28 | C34 | H34 | 172.1° | 62.6° |
| C33 | C28 | C34 | C30 | 166.4° | 54.8° |
| C33 | C28 | O32 | C34 | 118.1° | 117.1° |
| C33 | C28 | O32 | C38 | 11.5° | 66.3° |
| C33 | C28 | C34 | O39 | 75.9° | 179.9° |
| C33 | C28 | C24 | H24 | 165.9° | 132.4° |
| C33 | C28 | C24 | H24A | 74.1° | 114.9° |
| C28 | C33 | H33 | H33A | 120.0° | 120.0° |
| C28 | C33 | H33 | H33B | 120.0° | 120.1° |
| C28 | C33 | H33A | H33B | 120.0° | 120.0° |
| C33 | C28 | C34 | H34 | 47.7° | 65.1° |
| C30 | C34 | C28 | O32 | 44.5° | 58.9° |
| C30 | C34 | C28 | O39 | 117.7° | 125.3° |
| C30 | C34 | C28 | H34 | 118.8° | 120.0° |
| C34 | C30 | C35 | H30 | 118.4° | 117.5° |
| C30 | C34 | O39 | H34 | 118.6° | 117.6° |
| C30 | C34 | O39 | C42 | 105.9° | 90.0° |
| C34 | C30 | C35 | H35 | 62.9° | 179.7° |
| C34 | C30 | C35 | H35A | 57.1° | 59.7° |
| C34 | C30 | C35 | H35B | 177.1° | 60.3° |
| O32 | C28 | C34 | O39 | 162.2° | 66.4° |
| O32 | C28 | C24 | H24 | 41.9° | 16.4° |
| O32 | C28 | C24 | H24A | 161.9° | 129.2° |
| O32 | C28 | C33 | H33 | 61.0° | 49.1° |
| O32 | C28 | C33 | H33A | 179.0° | 70.9° |
| O32 | C28 | C33 | H33B | 59.0° | 169.1° |
| O32 | C28 | C34 | H34 | 74.3° | 178.8° |
| C28 | O32 | C38 | H38 | 180.0° | 65.4° |
| C28 | O32 | C38 | H38A | 60.0° | 174.6° |
| C28 | O32 | C38 | H38B | 60.0° | 54.6° |
| C38 | O32 | C28 | C34 | 129.6° | 176.6° |
| O32 | C38 | H38 | H38A | 120.0° | 120.0° |
| O32 | C38 | H38 | H38B | 120.0° | 120.0° |
| O32 | C38 | H38A | H38B | 120.0° | 120.0° |
| C28 | C34 | C30 | C35 | 177.0° | 121.1° |
| C28 | C34 | O39 | H34 | 121.0° | 115.7° |
| C28 | C34 | O39 | C42 | 133.7° | 143.3° |
| C34 | C28 | C24 | H24 | 72.6° | 100.8° |
| C34 | C28 | C24 | H24A | 47.4° | 12.0° |
| C28 | C34 | C30 | H30 | 53.4° | 1.1° |
| C34 | C28 | C33 | H33 | 56.2° | 162.8° |
| C34 | C28 | C33 | H33A | 63.8° | 42.8° |
| C34 | C28 | C33 | H33B | 176.2° | 77.1° |
| C35 | C30 | C34 | O39 | 62.2° | 2.8° |
| C35 | C30 | C34 | H34 | 61.6° | 119.3° |
| C30 | C35 | H35 | H35A | 120.0° | 120.0° |
| C30 | C35 | H35 | H35B | 120.0° | 120.0° |
| C30 | C35 | H35A | H35B | 120.0° | 120.0° |
| C34 | O39 | C42 | O45 | 82.3° | 65.0° |
| C34 | O39 | C42 | C44 | 166.4° | 175.1° |
| O39 | C34 | C30 | H30 | 61.4° | 122.7° |
| C34 | O39 | C42 | H42 | 44.0° | 55.1° |
| O39 | C42 | O45 | C44 | 114.4° | 120.0° |
| O39 | C42 | O45 | H42 | 123.8° | 120.1° |
| O39 | C42 | C44 | H42 | 125.3° | 120.0° |
| O39 | C42 | C44 | O48 | 65.5° | 62.4° |
| O39 | C42 | C44 | C49 | 176.9° | 177.6° |
| O39 | C42 | O45 | C50 | 170.5° | 178.9° |
| C42 | O39 | C34 | H34 | 12.7° | 27.6° |
| O39 | C42 | C44 | H44 | 58.5° | 57.7° |
| O45 | C42 | C44 | H42 | 127.1° | 120.0° |
| O45 | C42 | C44 | O48 | 173.0° | 177.6° |
| O45 | C42 | C44 | C49 | 75.6° | 57.6° |
| C42 | O45 | C50 | C55 | 176.7° | 178.8° |
| C42 | O45 | C50 | C54 | 60.1° | 61.2° |
| O45 | C42 | C44 | H44 | 49.0° | 62.3° |
| C42 | O45 | C50 | H50 | 59.3° | 58.8° |
| C42 | C44 | O48 | C49 | 107.8° | 119.7° |
| C42 | C44 | O48 | H44 | 126.7° | 120.1° |
| C42 | C44 | C49 | H44 | 126.4° | 119.9° |
| C42 | C44 | C49 | C54 | 61.2° | 57.0° |
| C44 | C42 | O45 | C50 | 75.1° | 61.2° |
| C42 | C44 | C49 | N53 | 175.4° | 176.9° |
| C42 | C44 | O48 | HO48 | 180.0° | 60.0° |
| C42 | C44 | C49 | H49 | 58.6° | 62.9° |
| O48 | C44 | C49 | H44 | 124.6° | 120.1° |
| O48 | C44 | C49 | C54 | 170.1° | 177.0° |
| O48 | C44 | C49 | N53 | 66.4° | 63.2° |
| O48 | C44 | C42 | H42 | 59.9° | 57.6° |
| O48 | C44 | C49 | H49 | 50.4° | 57.1° |
| C44 | C49 | C54 | N53 | 123.3° | 119.9° |
| C44 | C49 | C54 | H49 | 119.9° | 119.9° |
| C44 | C49 | N53 | H49 | 119.7° | 120.2° |
| C44 | C49 | N53 | C57 | 99.6° | 67.4° |
| C44 | C49 | C54 | C50 | 49.7° | 57.0° |
| C44 | C49 | N53 | C58 | 140.0° | 168.6° |
| C49 | C44 | C42 | H42 | 51.6° | 62.4° |
| C49 | C44 | O48 | HO48 | 72.2° | 179.7° |
| C44 | C49 | C54 | H54 | 169.7° | 176.9° |
| C44 | C49 | C54 | H54A | 70.3° | 62.9° |
| C49 | C54 | C50 | O45 | 48.0° | 57.6° |
| C49 | C54 | C50 | C55 | 162.5° | 177.6° |
| C54 | C49 | N53 | H49 | 119.5° | 120.1° |
| C54 | C49 | N53 | C57 | 21.2° | 52.2° |
| C49 | C54 | C50 | H54 | 120.0° | 119.9° |
| C49 | C54 | C50 | H54A | 120.0° | 119.9° |
| C54 | C49 | N53 | C58 | 99.2° | 71.8° |
| C54 | C49 | C44 | H44 | 65.3° | 62.9° |
| C49 | C54 | C50 | H50 | 73.4° | 62.4° |
| C49 | C54 | H54 | H54A | 119.0° | 120.2° |
| O45 | C50 | C55 | C54 | 120.0° | 119.9° |
| O45 | C50 | C55 | H50 | 120.9° | 120.1° |
| O45 | C50 | C54 | H50 | 121.4° | 120.0° |
| C50 | O45 | C42 | H42 | 46.7° | 58.8° |
| O45 | C50 | C54 | H54 | 168.0° | 177.5° |
| O45 | C50 | C54 | H54A | 72.0° | 62.3° |
| O45 | C50 | C55 | H55 | 180.0° | 60.0° |
| O45 | C50 | C55 | H55A | 60.0° | 180.0° |
| O45 | C50 | C55 | H55B | 60.0° | 60.0° |
| C55 | C50 | C54 | H50 | 124.2° | 120.1° |
| C55 | C50 | C54 | H54 | 77.5° | 62.5° |
| C55 | C50 | C54 | H54A | 42.5° | 57.7° |
| C50 | C55 | H55 | H55A | 120.0° | 120.0° |
| C50 | C55 | H55 | H55B | 120.0° | 120.0° |
| C50 | C55 | H55A | H55B | 120.0° | 120.0° |
| C49 | N53 | C57 | C58 | 120.2° | 124.0° |
| N53 | C49 | C54 | C50 | 173.0° | 176.9° |
| N53 | C49 | C44 | H44 | 58.2° | 57.0° |
| N53 | C49 | C54 | H54 | 67.0° | 63.2° |
| N53 | C49 | C54 | H54A | 53.0° | 57.0° |
| C49 | N53 | C57 | H57 | 180.0° | 60.0° |
| C49 | N53 | C57 | H57A | 60.0° | 179.9° |
| C49 | N53 | C57 | H57B | 60.0° | 60.0° |
| C49 | N53 | C58 | H58 | 180.0° | 64.5° |
| C49 | N53 | C58 | H58A | 60.0° | 175.5° |
| C49 | N53 | C58 | H58B | 60.0° | 55.4° |
| C57 | N53 | C49 | H49 | 140.7° | 172.3° |
| N53 | C57 | H57 | H57A | 120.0° | 120.0° |
| N53 | C57 | H57 | H57B | 120.0° | 119.9° |
| N53 | C57 | H57A | H57B | 120.0° | 120.0° |
| C57 | N53 | C58 | H58 | 58.4° | 171.5° |
| C57 | N53 | C58 | H58A | 61.7° | 51.5° |
| C57 | N53 | C58 | H58B | 178.4° | 68.5° |
| C50 | C54 | C49 | H49 | 70.2° | 62.9° |
| C50 | C54 | H54 | H54A | 119.0° | 120.2° |
| C54 | C50 | C55 | H55 | 60.1° | 179.9° |
| C54 | C50 | C55 | H55A | 60.0° | 60.1° |
| C54 | C50 | C55 | H55B | 180.0° | 59.9° |
| C58 | N53 | C49 | H49 | 20.3° | 48.4° |
| C58 | N53 | C57 | H57 | 59.9° | 64.0° |
| C58 | N53 | C57 | H57A | 179.8° | 56.0° |
| C58 | N53 | C57 | H57B | 60.1° | 176.0° |
| N53 | C58 | H58 | H58A | 120.0° | 120.0° |
| N53 | C58 | H58 | H58B | 120.0° | 120.0° |
| N53 | C58 | H58A | H58B | 120.0° | 120.0° |
| N71 | C72 | C73 | C77 | 177.9° | 179.7° |
| N71 | C72 | C73 | C74 | 178.7° | 180.0° |
| N71 | C72 | C77 | C76 | 178.3° | 179.8° |
| C72 | N71 | HN71 | HN7A | 120.0° | 179.9° |
| N71 | C72 | C73 | H73 | 1.3° | 0.0° |
| N71 | C72 | C77 | H77 | 1.7° | 0.1° |
| C72 | C73 | C74 | H73 | 180.0° | 180.0° |
| C72 | C73 | C74 | C75 | 0.2° | 0.0° |
| C73 | C72 | C77 | C76 | 0.5° | 0.6° |
| C73 | C72 | N71 | HN71 | 180.0° | 0.0° |
| C73 | C72 | N71 | HN7A | 60.0° | 180.0° |
| C72 | C73 | C74 | H74 | 179.8° | 179.9° |
| C73 | C72 | C77 | H77 | 179.5° | 179.7° |
| C73 | C74 | C75 | H74 | 180.0° | 180.0° |
| C73 | C74 | C75 | C76 | 0.6° | 0.0° |
| C74 | C73 | C72 | C77 | 0.8° | 0.3° |
| C73 | C74 | C75 | H75 | 179.4° | 180.0° |
| C74 | C75 | C76 | H75 | 180.0° | 180.0° |
| C74 | C75 | C76 | C77 | 0.9° | 0.3° |
| C74 | C75 | C76 | C78 | 178.9° | 180.0° |
| C75 | C74 | C73 | H73 | 179.8° | 180.0° |
| C75 | C76 | C77 | C72 | 0.3° | 0.6° |
| C75 | C76 | C77 | C78 | 178.0° | 179.7° |
| C75 | C76 | C78 | C79 | 0.4° | 5.0° |
| C75 | C76 | C78 | N82 | 175.8° | 175.3° |
| C76 | C75 | C74 | H74 | 179.4° | 180.0° |
| C75 | C76 | C77 | H77 | 179.7° | 179.8° |
| C72 | C77 | C76 | H77 | 180.0° | 179.7° |
| C72 | C77 | C76 | C78 | 178.3° | 179.7° |
| C77 | C72 | N71 | HN71 | 2.1° | 179.7° |
| C77 | C72 | N71 | HN7A | 122.1° | 0.4° |
| C77 | C72 | C73 | H73 | 179.2° | 179.7° |
| C77 | C76 | C78 | C79 | 177.6° | 174.7° |
| C77 | C76 | C78 | N82 | 2.3° | 5.0° |
| C77 | C76 | C75 | H75 | 179.1° | 179.7° |
| C76 | C78 | C79 | N82 | 176.0° | 179.8° |
| C76 | C78 | C79 | N80 | 177.4° | 180.0° |
| C76 | C78 | N82 | N81 | 177.9° | 179.8° |
| C78 | C76 | C75 | H75 | 1.0° | 0.0° |
| C78 | C76 | C77 | H77 | 1.7° | 0.0° |
| C76 | C78 | C79 | H79 | 2.6° | 0.1° |
| C78 | C79 | N80 | H79 | 180.0° | 179.9° |
| C78 | C79 | N80 | C83 | 178.3° | 180.0° |
| C78 | C79 | N80 | N81 | 0.8° | 0.0° |
| C79 | C78 | N82 | N81 | 1.7° | 0.4° |
| C79 | N80 | C83 | N81 | 178.9° | 179.9° |
| N80 | C79 | C78 | N82 | 1.5° | 0.2° |
| C79 | N80 | N81 | N82 | 0.3° | 0.3° |
| C79 | N80 | C83 | C84 | 78.8° | 125.0° |
| C79 | N80 | C83 | H83 | 41.2° | 115.0° |
| C79 | N80 | C83 | H83A | 161.2° | 4.9° |
| C83 | N80 | N81 | N82 | 179.4° | 179.7° |
| N80 | C83 | C84 | H83 | 120.0° | 120.0° |
| N80 | C83 | C84 | H83A | 120.0° | 120.1° |
| N80 | C83 | C84 | C17 | 89.1° | 180.0° |
| C83 | N80 | C79 | H79 | 1.7° | 0.0° |
| N80 | C83 | H83 | H83A | 120.9° | 120.0° |
| N80 | C83 | C84 | H84 | 150.9° | 59.9° |
| N80 | C83 | C84 | H84A | 30.9° | 60.0° |
| N80 | N81 | N82 | C78 | 1.2° | 0.5° |
| N81 | N80 | C83 | C84 | 100.1° | 55.0° |
| N81 | N80 | C79 | H79 | 179.2° | 179.9° |
| N81 | N80 | C83 | H83 | 139.9° | 65.0° |
| N81 | N80 | C83 | H83A | 19.9° | 175.1° |
| N82 | C78 | C79 | H79 | 178.6° | 179.8° |
| C83 | C84 | C17 | H84 | 120.0° | 120.1° |
| C83 | C84 | C17 | H84A | 120.0° | 120.0° |
| C83 | C84 | C17 | H17 | 62.7° | 60.0° |
| C83 | C84 | C17 | H17A | 57.3° | 60.1° |
| C84 | C83 | H83 | H83A | 120.9° | 120.0° |
| C83 | C84 | H84 | H84A | 120.4° | 119.9° |
| C84 | C17 | C11 | H11 | 81.3° | 64.9° |
| C84 | C17 | C11 | H11A | 158.8° | 55.1° |
| C84 | C17 | H17 | H17A | 115.7° | 120.0° |
| C17 | C84 | C83 | H83 | 30.9° | 60.0° |
| C17 | C84 | C83 | H83A | 150.9° | 59.9° |
| C17 | C84 | H84 | H84A | 120.4° | 120.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H3 | C3 | C7 | H7 | 65.5° | 99.1° |
| H4 | C4 | C8 | H8 | 50.7° | 62.1° |
| H4 | C4 | C8 | H8A | 170.7° | 177.9° |
| H7 | C7 | C12 | H12 | 67.0° | 174.6° |
| H7 | C7 | C12 | H12A | 52.9° | 54.6° |
| H7 | C7 | C12 | H12B | 172.9° | 65.5° |
| H8 | C8 | C14 | H14 | 60.0° | 59.9° |
| H8 | C8 | C14 | H14A | 180.0° | 180.0° |
| H8 | C8 | C14 | H14B | 60.0° | 60.1° |
| H8A | C8 | C14 | H14 | 60.0° | 60.1° |
| H8A | C8 | C14 | H14A | 60.0° | 60.0° |
| H8A | C8 | C14 | H14B | 180.0° | 180.0° |
| H11 | C11 | C17 | H17 | 38.8° | 175.2° |
| H11 | C11 | C17 | H17A | 158.8° | 55.1° |
| H11A | C11 | C17 | H17 | 81.2° | 64.9° |
| H11A | C11 | C17 | H17A | 38.8° | 175.1° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| H17 | C17 | C84 | H84 | 57.3° | 179.9° |
| H17 | C17 | C84 | H84A | 177.3° | 60.0° |
| H17A | C17 | C84 | H84 | 177.3° | 60.0° |
| H17A | C17 | C84 | H84A | 62.7° | 180.0° |
| H19 | C19 | C23 | H23 | 60.9° | 57.0° |
| H19 | C19 | C23 | H23A | 179.1° | 63.1° |
| H19 | C19 | C23 | H23B | 59.1° | 176.9° |
| H19 | C19 | C24 | H24 | 179.3° | 48.1° |
| H19 | C19 | C24 | H24A | 60.7° | 60.8° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H30 | C30 | C34 | H34 | 174.9° | 120.8° |
| H30 | C30 | C35 | H35 | 55.5° | 62.2° |
| H30 | C30 | C35 | H35A | 175.5° | 57.8° |
| H30 | C30 | C35 | H35B | 64.5° | 177.8° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
| H42 | C42 | C44 | H44 | 176.1° | 177.7° |
| H44 | C44 | O48 | HO48 | 53.3° | 60.2° |
| H44 | C44 | C49 | H49 | 175.0° | 177.2° |
| H49 | C49 | C54 | H54 | 49.8° | 56.9° |
| H49 | C49 | C54 | H54A | 169.8° | 177.2° |
| H50 | C50 | C54 | H54 | 46.7° | 57.5° |
| H50 | C50 | C54 | H54A | 166.7° | 177.7° |
| H50 | C50 | C55 | H55 | 59.1° | 60.0° |
| H50 | C50 | C55 | H55A | 179.1° | 60.0° |
| H50 | C50 | C55 | H55B | 60.9° | 180.0° |
| H55 | C55 | H55A | H55B | 120.0° | 120.0° |
| H57 | C57 | H57A | H57B | 120.0° | 120.0° |
| H58 | C58 | H58A | H58B | 120.0° | 120.0° |
| H73 | C73 | C74 | H74 | 0.2° | 0.1° |
| H74 | C74 | C75 | H75 | 0.6° | 0.0° |
| H83 | C83 | C84 | H84 | 89.1° | 60.0° |
| H83 | C83 | C84 | H84A | 150.9° | 180.0° |
| H83A | C83 | C84 | H84 | 30.9° | 180.0° |
| H83A | C83 | C84 | H84A | 89.1° | 60.1° |
