A1JHI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | O6 | doub | 1.21Å | 1.22Å | |
| C5 | N7 | sing | 1.35Å | 1.34Å | |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C9 | C11 | sing | 1.55Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | O14 | doub | 1.21Å | 1.23Å | |
| C13 | N15 | sing | 1.35Å | 1.33Å | |
| N15 | C16 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.46Å | 1.42Å | Aromatic |
| C21 | N22 | doub | 1.30Å | 1.32Å | Aromatic |
| N22 | N23 | sing | 1.40Å | 1.36Å | Aromatic |
| N23 | C24 | sing | 1.37Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| N23 | C26 | sing | 1.47Å | 1.46Å | |
| C4 | N27 | sing | 1.46Å | 1.47Å | |
| N27 | N28 | sing | 1.29Å | 1.35Å | Aromatic |
| N28 | N29 | doub | 1.29Å | 1.31Å | Aromatic |
| N29 | C30 | sing | 1.33Å | 1.36Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.50Å | 1.50Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | N38 | sing | 1.47Å | 1.50Å | |
| N38 | C39 | sing | 1.44Å | 1.50Å | |
| C39 | C40 | sing | 1.54Å | 1.51Å | |
| C40 | C41 | sing | 1.54Å | 1.52Å | |
| C41 | N42 | sing | 1.44Å | 1.46Å | |
| N42 | C43 | sing | 1.48Å | 1.48Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C45 | sing | 1.46Å | 1.52Å | |
| N42 | C46 | sing | 1.38Å | 1.36Å | |
| C46 | N47 | doub | 1.33Å | 1.35Å | Aromatic |
| N47 | C48 | sing | 1.32Å | 1.34Å | Aromatic |
| C48 | C49 | doub | 1.39Å | 1.38Å | Aromatic |
| C49 | C50 | sing | 1.40Å | 1.38Å | Aromatic |
| C50 | N51 | doub | 1.33Å | 1.34Å | Aromatic |
| C50 | C52 | sing | 1.48Å | 1.48Å | |
| C52 | N53 | doub | 1.31Å | 1.31Å | Aromatic |
| N53 | O54 | sing | 1.21Å | 1.42Å | Aromatic |
| O54 | C55 | sing | 1.34Å | 1.34Å | Aromatic |
| C55 | N56 | doub | 1.31Å | 1.28Å | Aromatic |
| C55 | C57 | sing | 1.51Å | 1.51Å | |
| C57 | C58 | sing | 1.53Å | 1.54Å | |
| C57 | C59 | sing | 1.53Å | 1.55Å | |
| C59 | C60 | sing | 1.53Å | 1.53Å | |
| C60 | C61 | sing | 1.53Å | 1.51Å | |
| C61 | C62 | sing | 1.52Å | 1.50Å | |
| C62 | S63 | sing | 1.76Å | 1.73Å | Aromatic |
| S63 | C64 | sing | 1.70Å | 1.73Å | Aromatic |
| C64 | C65 | doub | 1.37Å | 1.39Å | Aromatic |
| C65 | C66 | sing | 1.45Å | 1.44Å | Aromatic |
| C65 | C67 | sing | 1.43Å | 1.43Å | |
| C67 | N68 | trip | 1.14Å | 1.14Å | |
| C64 | N69 | sing | 1.38Å | 1.34Å | |
| C34 | C70 | sing | 1.53Å | 1.53Å | |
| C12 | N7 | sing | 1.47Å | 1.46Å | |
| C25 | C17 | sing | 1.37Å | 1.39Å | Aromatic |
| C31 | N27 | sing | 1.34Å | 1.35Å | Aromatic |
| C45 | N38 | sing | 1.48Å | 1.49Å | |
| N51 | C46 | sing | 1.32Å | 1.36Å | Aromatic |
| N56 | C52 | sing | 1.35Å | 1.38Å | Aromatic |
| C66 | C57 | sing | 1.52Å | 1.54Å | |
| C24 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C70 | C30 | sing | 1.51Å | 1.49Å | |
| C66 | C62 | doub | 1.34Å | 1.36Å | Aromatic |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3C | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C60 | H60A | sing | 1.09Å | 1.10Å | |
| C60 | H60B | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26C | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C44 | H44C | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C58 | H58B | sing | 1.09Å | 1.10Å | |
| C58 | H58C | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C59 | H59B | sing | 1.09Å | 1.10Å | |
| C61 | H61B | sing | 1.09Å | 1.10Å | |
| C61 | H61A | sing | 1.09Å | 1.10Å | |
| C70 | H70B | sing | 1.09Å | 1.10Å | |
| C70 | H70A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| N69 | H69B | sing | 0.97Å | 1.00Å | |
| N69 | H69A | sing | 0.97Å | 1.00Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.4° | 109.5° |
| C1 | C2 | C4 | 114.4° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C1 | C2 | H2 | 106.3° | 109.5° |
| C3 | C2 | C4 | 111.9° | 109.5° |
| C3 | C2 | H2 | 106.3° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3C | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.5° | 109.5° |
| C2 | C4 | C5 | 112.3° | 109.5° |
| C2 | C4 | N27 | 115.7° | 109.5° |
| C4 | C2 | H2 | 105.9° | 109.4° |
| C2 | C4 | H4 | 105.8° | 109.4° |
| C4 | C5 | O6 | 120.2° | 120.0° |
| C4 | C5 | N7 | 118.6° | 120.0° |
| C5 | C4 | N27 | 109.7° | 109.5° |
| C5 | C4 | H4 | 106.0° | 109.5° |
| O6 | C5 | N7 | 121.1° | 120.0° |
| C5 | N7 | C8 | 126.4° | 125.6° |
| C5 | N7 | C12 | 121.1° | 125.7° |
| N7 | C8 | C9 | 102.7° | 104.8° |
| C8 | N7 | C12 | 112.5° | 108.7° |
| N7 | C8 | H8B | 111.1° | 110.4° |
| N7 | C8 | H8A | 111.2° | 110.5° |
| C8 | C9 | O10 | 110.5° | 111.0° |
| C8 | C9 | C11 | 103.2° | 101.5° |
| C9 | C8 | H8B | 111.1° | 110.4° |
| C9 | C8 | H8A | 111.1° | 110.3° |
| C8 | C9 | H9 | 110.4° | 111.0° |
| O10 | C9 | C11 | 110.3° | 111.0° |
| O10 | C9 | H9 | 111.7° | 110.9° |
| C9 | O10 | H10 | 109.5° | 114.0° |
| C9 | C11 | C12 | 104.0° | 103.0° |
| C9 | C11 | H11B | 110.8° | 110.7° |
| C9 | C11 | H11A | 110.8° | 110.9° |
| C11 | C9 | H9 | 110.3° | 111.0° |
| C11 | C12 | C13 | 111.1° | 109.9° |
| C11 | C12 | N7 | 103.4° | 107.3° |
| C12 | C11 | H11B | 110.8° | 110.7° |
| C12 | C11 | H11A | 110.8° | 110.7° |
| C11 | C12 | H12 | 110.1° | 109.9° |
| C12 | C13 | O14 | 120.8° | 120.0° |
| C12 | C13 | N15 | 116.4° | 120.0° |
| C13 | C12 | N7 | 110.7° | 109.9° |
| C13 | C12 | H12 | 110.3° | 109.9° |
| O14 | C13 | N15 | 122.8° | 119.9° |
| C13 | N15 | C16 | 121.9° | 120.0° |
| C13 | N15 | H15 | 119.0° | 120.0° |
| N15 | C16 | C17 | 111.4° | 109.5° |
| N15 | C16 | H16A | 109.0° | 109.5° |
| N15 | C16 | H16B | 109.0° | 109.5° |
| C16 | N15 | H15 | 119.0° | 120.0° |
| C16 | C17 | C18 | 121.0° | 119.6° |
| C16 | C17 | C25 | 119.8° | 119.5° |
| C17 | C16 | H16A | 109.0° | 109.5° |
| C17 | C16 | H16B | 109.0° | 109.5° |
| C17 | C18 | C19 | 121.2° | 120.6° |
| C18 | C17 | C25 | 119.2° | 120.9° |
| C17 | C18 | H18 | 119.4° | 119.7° |
| C18 | C19 | C20 | 120.0° | 119.7° |
| C19 | C18 | H18 | 119.4° | 119.7° |
| C18 | C19 | H19 | 120.0° | 120.2° |
| C19 | C20 | C21 | 137.1° | 134.1° |
| C19 | C20 | C24 | 118.4° | 119.6° |
| C20 | C19 | H19 | 120.0° | 120.1° |
| C20 | C21 | N22 | 111.5° | 107.8° |
| C21 | C20 | C24 | 104.5° | 106.3° |
| C20 | C21 | H21 | 124.3° | 126.1° |
| C21 | N22 | N23 | 106.1° | 110.1° |
| N22 | C21 | H21 | 124.3° | 126.1° |
| N22 | N23 | C24 | 111.6° | 109.1° |
| N22 | N23 | C26 | 120.2° | 125.4° |
| N23 | C24 | C25 | 132.2° | 133.9° |
| C24 | N23 | C26 | 128.1° | 125.5° |
| N23 | C24 | C20 | 106.4° | 106.7° |
| C24 | C25 | C17 | 119.7° | 119.8° |
| C25 | C24 | C20 | 121.4° | 119.4° |
| C24 | C25 | H25 | 120.2° | 120.1° |
| N23 | C26 | H26C | 109.5° | 109.5° |
| N23 | C26 | H26B | 109.5° | 109.4° |
| N23 | C26 | H26A | 109.5° | 109.5° |
| C4 | N27 | N28 | 118.7° | 126.0° |
| C4 | N27 | C31 | 130.0° | 126.0° |
| N27 | C4 | H4 | 106.7° | 109.5° |
| N27 | N28 | N29 | 106.8° | 110.2° |
| N28 | N27 | C31 | 111.2° | 108.0° |
| N28 | N29 | C30 | 109.0° | 108.7° |
| N29 | C30 | C31 | 108.7° | 106.7° |
| N29 | C30 | C70 | 125.7° | 129.2° |
| C30 | C31 | C32 | 122.1° | 124.3° |
| C30 | C31 | N27 | 104.2° | 106.4° |
| C31 | C30 | C70 | 125.6° | 124.1° |
| C31 | C32 | C33 | 110.3° | 108.3° |
| C32 | C31 | N27 | 133.7° | 129.3° |
| C31 | C32 | H32B | 109.2° | 109.7° |
| C31 | C32 | H32A | 109.2° | 109.7° |
| C32 | C33 | C34 | 112.8° | 109.5° |
| C33 | C32 | H32B | 109.3° | 109.7° |
| C33 | C32 | H32A | 109.3° | 109.7° |
| C32 | C33 | H33A | 108.6° | 109.5° |
| C32 | C33 | H33B | 108.6° | 109.4° |
| C33 | C34 | C35 | 112.8° | 109.5° |
| C33 | C34 | C70 | 109.4° | 109.5° |
| C34 | C33 | H33A | 108.6° | 109.5° |
| C34 | C33 | H33B | 108.6° | 109.4° |
| C33 | C34 | H34 | 109.2° | 109.5° |
| C34 | C35 | C36 | 115.0° | 109.5° |
| C35 | C34 | C70 | 107.1° | 109.4° |
| C35 | C34 | H34 | 109.2° | 109.5° |
| C34 | C35 | H35A | 108.0° | 109.5° |
| C34 | C35 | H35B | 108.1° | 109.4° |
| C35 | C36 | C37 | 115.3° | 109.5° |
| C36 | C35 | H35A | 108.1° | 109.5° |
| C36 | C35 | H35B | 108.1° | 109.5° |
| C35 | C36 | H36B | 108.0° | 109.5° |
| C35 | C36 | H36A | 108.0° | 109.5° |
| C36 | C37 | N38 | 112.0° | 109.5° |
| C37 | C36 | H36B | 108.0° | 109.4° |
| C37 | C36 | H36A | 108.0° | 109.5° |
| C36 | C37 | H37A | 108.8° | 109.4° |
| C36 | C37 | H37B | 108.8° | 109.5° |
| C37 | N38 | C39 | 112.1° | 111.0° |
| C37 | N38 | C45 | 109.3° | 111.0° |
| N38 | C37 | H37A | 108.8° | 109.5° |
| N38 | C37 | H37B | 108.8° | 109.5° |
| N38 | C39 | C40 | 114.1° | 112.6° |
| C39 | N38 | C45 | 113.7° | 109.9° |
| N38 | C39 | H39B | 108.3° | 108.9° |
| N38 | C39 | H39A | 108.3° | 108.8° |
| C39 | C40 | C41 | 116.4° | 111.7° |
| C40 | C39 | H39B | 108.3° | 108.8° |
| C40 | C39 | H39A | 108.3° | 108.8° |
| C39 | C40 | H40A | 107.7° | 109.1° |
| C39 | C40 | H40B | 107.7° | 109.1° |
| C40 | C41 | N42 | 113.8° | 112.6° |
| C41 | C40 | H40A | 107.7° | 109.0° |
| C41 | C40 | H40B | 107.7° | 109.0° |
| C40 | C41 | H41A | 108.4° | 108.9° |
| C40 | C41 | H41B | 108.4° | 108.9° |
| C41 | N42 | C43 | 119.5° | 109.9° |
| C41 | N42 | C46 | 116.7° | 111.0° |
| N42 | C41 | H41A | 108.4° | 108.8° |
| N42 | C41 | H41B | 108.4° | 108.9° |
| N42 | C43 | C44 | 112.0° | 109.0° |
| N42 | C43 | C45 | 111.3° | 112.2° |
| C43 | N42 | C46 | 123.9° | 111.0° |
| N42 | C43 | H43 | 107.9° | 108.9° |
| C44 | C43 | C45 | 110.7° | 108.9° |
| C44 | C43 | H43 | 107.4° | 108.9° |
| C43 | C44 | H44A | 109.5° | 109.5° |
| C43 | C44 | H44B | 109.5° | 109.5° |
| C43 | C44 | H44C | 109.5° | 109.4° |
| C43 | C45 | N38 | 112.0° | 112.2° |
| C45 | C43 | H43 | 107.3° | 108.9° |
| C43 | C45 | H45A | 108.8° | 109.0° |
| C43 | C45 | H45B | 108.8° | 109.0° |
| N42 | C46 | N47 | 117.0° | 119.2° |
| N42 | C46 | N51 | 116.7° | 119.2° |
| C46 | N47 | C48 | 115.4° | 121.0° |
| N47 | C46 | N51 | 126.2° | 121.7° |
| N47 | C48 | C49 | 123.6° | 119.3° |
| N47 | C48 | H48 | 118.2° | 120.4° |
| C48 | C49 | C50 | 116.4° | 118.5° |
| C49 | C48 | H48 | 118.2° | 120.3° |
| C48 | C49 | H49 | 121.8° | 120.8° |
| C49 | C50 | N51 | 122.7° | 118.9° |
| C49 | C50 | C52 | 120.2° | 120.5° |
| C50 | C49 | H49 | 121.8° | 120.7° |
| N51 | C50 | C52 | 117.0° | 120.5° |
| C50 | N51 | C46 | 115.6° | 120.7° |
| C50 | C52 | N53 | 123.6° | 126.4° |
| C50 | C52 | N56 | 121.9° | 126.4° |
| C52 | N53 | O54 | 103.3° | 110.1° |
| N53 | C52 | N56 | 114.5° | 107.2° |
| N53 | O54 | C55 | 105.3° | 110.1° |
| O54 | C55 | N56 | 115.1° | 107.1° |
| O54 | C55 | C57 | 118.2° | 126.5° |
| N56 | C55 | C57 | 126.6° | 126.4° |
| C55 | N56 | C52 | 101.8° | 105.6° |
| C55 | C57 | C58 | 107.1° | 109.6° |
| C55 | C57 | C59 | 110.2° | 109.6° |
| C55 | C57 | C66 | 109.9° | 109.6° |
| C58 | C57 | C59 | 109.7° | 109.6° |
| C58 | C57 | C66 | 108.1° | 109.7° |
| C57 | C58 | H58A | 109.5° | 109.5° |
| C57 | C58 | H58B | 109.5° | 109.5° |
| C57 | C58 | H58C | 109.5° | 109.5° |
| C57 | C59 | C60 | 116.3° | 109.2° |
| C59 | C57 | C66 | 111.6° | 108.8° |
| C57 | C59 | H59A | 107.8° | 109.5° |
| C57 | C59 | H59B | 107.7° | 109.5° |
| C59 | C60 | C61 | 111.1° | 109.1° |
| C59 | C60 | H60A | 109.0° | 109.5° |
| C59 | C60 | H60B | 109.0° | 109.6° |
| C60 | C59 | H59A | 107.7° | 109.5° |
| C60 | C59 | H59B | 107.7° | 109.5° |
| C60 | C61 | C62 | 108.6° | 108.8° |
| C61 | C60 | H60A | 109.1° | 109.5° |
| C61 | C60 | H60B | 109.1° | 109.6° |
| C60 | C61 | H61B | 109.7° | 109.6° |
| C60 | C61 | H61A | 109.7° | 109.6° |
| C61 | C62 | S63 | 121.5° | 124.9° |
| C61 | C62 | C66 | 125.5° | 124.3° |
| C62 | C61 | H61B | 109.7° | 109.6° |
| C62 | C61 | H61A | 109.7° | 109.5° |
| C62 | S63 | C64 | 91.6° | 92.7° |
| S63 | C62 | C66 | 112.9° | 110.8° |
| S63 | C64 | C65 | 110.8° | 110.7° |
| S63 | C64 | N69 | 120.8° | 124.6° |
| C64 | C65 | C66 | 113.0° | 113.3° |
| C64 | C65 | C67 | 121.9° | 123.3° |
| C65 | C64 | N69 | 128.4° | 124.6° |
| C66 | C65 | C67 | 125.0° | 123.4° |
| C65 | C66 | C57 | 126.7° | 124.1° |
| C65 | C66 | C62 | 111.6° | 112.4° |
| C65 | C67 | N68 | 177.5° | 179.9° |
| C64 | N69 | H69B | 109.5° | 120.0° |
| C64 | N69 | H69A | 109.5° | 120.0° |
| C34 | C70 | C30 | 109.7° | 108.3° |
| C70 | C34 | H34 | 109.1° | 109.5° |
| C34 | C70 | H70B | 109.4° | 109.7° |
| C34 | C70 | H70A | 109.4° | 109.6° |
| N7 | C12 | H12 | 111.1° | 110.0° |
| C17 | C25 | H25 | 120.1° | 120.1° |
| N38 | C45 | H45A | 108.8° | 109.0° |
| N38 | C45 | H45B | 108.9° | 108.9° |
| C57 | C66 | C62 | 121.6° | 123.5° |
| C30 | C70 | H70B | 109.4° | 109.7° |
| C30 | C70 | H70A | 109.4° | 109.7° |
| H1C | C1 | H1B | 109.5° | 109.5° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H1B | C1 | H1A | 109.4° | 109.5° |
| H3A | C3 | H3C | 109.5° | 109.4° |
| H3A | C3 | H3B | 109.5° | 109.4° |
| H3C | C3 | H3B | 109.4° | 109.5° |
| H8B | C8 | H8A | 109.5° | 110.3° |
| H11B | C11 | H11A | 109.5° | 110.6° |
| H60A | C60 | H60B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.4° | 109.5° |
| H26C | C26 | H26B | 109.4° | 109.4° |
| H26C | C26 | H26A | 109.5° | 109.5° |
| H26B | C26 | H26A | 109.5° | 109.4° |
| H32B | C32 | H32A | 109.5° | 109.7° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H36B | C36 | H36A | 109.5° | 109.4° |
| H37A | C37 | H37B | 109.4° | 109.5° |
| H39B | C39 | H39A | 109.5° | 108.9° |
| H40A | C40 | H40B | 109.5° | 108.9° |
| H41A | C41 | H41B | 109.5° | 108.7° |
| H44A | C44 | H44B | 109.5° | 109.4° |
| H44A | C44 | H44C | 109.4° | 109.5° |
| H44B | C44 | H44C | 109.5° | 109.5° |
| H45A | C45 | H45B | 109.5° | 108.8° |
| H58A | C58 | H58B | 109.5° | 109.4° |
| H58A | C58 | H58C | 109.5° | 109.5° |
| H58B | C58 | H58C | 109.5° | 109.5° |
| H59A | C59 | H59B | 109.5° | 109.6° |
| H61B | C61 | H61A | 109.5° | 109.8° |
| H70B | C70 | H70A | 109.5° | 109.7° |
| H69B | N69 | H69A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 129.5° | 120.0° |
| C1 | C2 | C3 | H2 | 115.3° | 120.0° |
| C1 | C2 | C4 | H2 | 116.7° | 120.0° |
| C1 | C2 | C4 | C5 | 30.5° | 65.1° |
| C1 | C2 | C4 | N27 | 96.5° | 174.8° |
| C2 | C1 | H1C | H1B | 120.0° | 120.0° |
| C2 | C1 | H1C | H1A | 120.0° | 119.9° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C1 | C2 | C3 | H3A | 180.0° | 60.0° |
| C1 | C2 | C3 | H3C | 60.0° | 180.0° |
| C1 | C2 | C3 | H3B | 60.0° | 60.0° |
| C1 | C2 | C4 | H4 | 145.6° | 54.8° |
| C3 | C2 | C4 | H2 | 115.4° | 120.0° |
| C3 | C2 | C4 | C5 | 158.4° | 174.8° |
| C3 | C2 | C4 | N27 | 31.4° | 54.7° |
| C3 | C2 | C1 | H1C | 180.0° | 54.9° |
| C3 | C2 | C1 | H1B | 60.0° | 174.9° |
| C3 | C2 | C1 | H1A | 60.0° | 65.1° |
| C2 | C3 | H3A | H3C | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C2 | C3 | H3C | H3B | 120.0° | 120.0° |
| C3 | C2 | C4 | H4 | 86.5° | 65.2° |
| C2 | C4 | C5 | N27 | 130.1° | 120.0° |
| C2 | C4 | C5 | H4 | 115.0° | 119.9° |
| C2 | C4 | C5 | O6 | 75.9° | 35.5° |
| C2 | C4 | C5 | N7 | 108.6° | 144.5° |
| C2 | C4 | N27 | H4 | 117.3° | 119.9° |
| C2 | C4 | N27 | N28 | 120.6° | 60.1° |
| C2 | C4 | N27 | C31 | 61.2° | 120.0° |
| C4 | C2 | C1 | H1C | 51.9° | 174.9° |
| C4 | C2 | C1 | H1B | 171.9° | 65.1° |
| C4 | C2 | C1 | H1A | 68.2° | 55.0° |
| C4 | C2 | C3 | H3A | 50.5° | 60.1° |
| C4 | C2 | C3 | H3C | 69.5° | 59.9° |
| C4 | C2 | C3 | H3B | 170.5° | 180.0° |
| C4 | C5 | O6 | N7 | 175.3° | 179.9° |
| C4 | C5 | N7 | C8 | 1.8° | 5.4° |
| C5 | C4 | N27 | H4 | 114.4° | 120.0° |
| C5 | C4 | N27 | N28 | 111.1° | 60.0° |
| C4 | C5 | N7 | C12 | 178.7° | 174.5° |
| C5 | C4 | N27 | C31 | 67.0° | 119.9° |
| C5 | C4 | C2 | H2 | 86.3° | 54.8° |
| O6 | C5 | N7 | C8 | 173.6° | 174.5° |
| O6 | C5 | C4 | N27 | 54.2° | 84.5° |
| O6 | C5 | N7 | C12 | 5.9° | 5.5° |
| O6 | C5 | C4 | H4 | 169.1° | 155.5° |
| C5 | N7 | C8 | C12 | 179.5° | 179.9° |
| C5 | N7 | C8 | C9 | 160.1° | 155.9° |
| C5 | N7 | C12 | C11 | 177.0° | 179.0° |
| C5 | N7 | C12 | C13 | 57.9° | 61.6° |
| N7 | C5 | C4 | N27 | 121.3° | 95.4° |
| N7 | C5 | C4 | H4 | 6.4° | 24.6° |
| C5 | N7 | C8 | H8B | 41.1° | 85.2° |
| C5 | N7 | C8 | H8A | 81.0° | 37.1° |
| C5 | N7 | C12 | H12 | 65.0° | 59.5° |
| N7 | C8 | C9 | H8B | 118.9° | 118.9° |
| N7 | C8 | C9 | H8A | 118.9° | 119.0° |
| N7 | C8 | C9 | O10 | 83.6° | 81.0° |
| N7 | C8 | C9 | C11 | 34.4° | 37.0° |
| C8 | N7 | C12 | C11 | 3.5° | 1.1° |
| C8 | N7 | C12 | C13 | 122.5° | 118.3° |
| N7 | C8 | H8B | H8A | 123.2° | 122.4° |
| C8 | N7 | C12 | H12 | 114.6° | 120.5° |
| N7 | C8 | C9 | H9 | 152.3° | 155.1° |
| C8 | C9 | O10 | C11 | 113.5° | 112.1° |
| C8 | C9 | O10 | H9 | 123.3° | 123.9° |
| C8 | C9 | C11 | H9 | 117.9° | 118.1° |
| C8 | C9 | C11 | C12 | 37.2° | 35.5° |
| C9 | C8 | N7 | C12 | 19.5° | 24.1° |
| C9 | C8 | H8B | H8A | 123.2° | 122.2° |
| C8 | C9 | C11 | H11B | 156.3° | 82.9° |
| C8 | C9 | C11 | H11A | 81.9° | 153.9° |
| C8 | C9 | O10 | H10 | 180.0° | 61.5° |
| O10 | C9 | C11 | H9 | 123.9° | 123.9° |
| O10 | C9 | C11 | C12 | 80.9° | 82.6° |
| O10 | C9 | C8 | H8B | 35.3° | 160.1° |
| O10 | C9 | C8 | H8A | 157.5° | 38.0° |
| O10 | C9 | C11 | H11B | 38.2° | 159.1° |
| O10 | C9 | C11 | H11A | 159.9° | 35.9° |
| C9 | C11 | C12 | H11B | 119.1° | 118.4° |
| C9 | C11 | C12 | H11A | 119.2° | 118.6° |
| C9 | C11 | C12 | C13 | 143.9° | 141.6° |
| C9 | C11 | C12 | N7 | 25.2° | 22.2° |
| C11 | C9 | C8 | H8B | 153.3° | 81.9° |
| C11 | C9 | C8 | H8A | 84.5° | 156.0° |
| C9 | C11 | H11B | H11A | 122.5° | 123.3° |
| C9 | C11 | C12 | H12 | 93.6° | 97.4° |
| C11 | C9 | O10 | H10 | 66.5° | 173.7° |
| C11 | C12 | C13 | N7 | 114.2° | 117.8° |
| C11 | C12 | C13 | H12 | 122.4° | 121.0° |
| C11 | C12 | C13 | O14 | 83.8° | 118.6° |
| C11 | C12 | C13 | N15 | 95.0° | 61.5° |
| C11 | C12 | N7 | H12 | 118.1° | 119.5° |
| C12 | C11 | H11B | H11A | 122.5° | 123.1° |
| C12 | C11 | C9 | H9 | 155.2° | 153.6° |
| C12 | C13 | O14 | N15 | 178.8° | 180.0° |
| C12 | C13 | N15 | C16 | 179.9° | 180.0° |
| C13 | C12 | N7 | H12 | 122.9° | 121.1° |
| C13 | C12 | C11 | H11B | 97.0° | 23.2° |
| C13 | C12 | C11 | H11A | 24.7° | 99.8° |
| C12 | C13 | N15 | H15 | 0.0° | 0.0° |
| O14 | C13 | N15 | C16 | 1.2° | 0.0° |
| O14 | C13 | C12 | N7 | 30.4° | 0.7° |
| O14 | C13 | C12 | H12 | 153.8° | 120.4° |
| O14 | C13 | N15 | H15 | 178.8° | 180.0° |
| C13 | N15 | C16 | H15 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 94.2° | 180.0° |
| N15 | C13 | C12 | N7 | 150.8° | 179.3° |
| N15 | C13 | C12 | H12 | 27.3° | 59.5° |
| C13 | N15 | C16 | H16A | 26.1° | 60.0° |
| C13 | N15 | C16 | H16B | 145.5° | 60.0° |
| N15 | C16 | C17 | H16A | 120.3° | 120.0° |
| N15 | C16 | C17 | H16B | 120.3° | 120.0° |
| N15 | C16 | C17 | C18 | 179.0° | 90.0° |
| N15 | C16 | C17 | C25 | 2.9° | 89.9° |
| N15 | C16 | H16A | H16B | 119.1° | 120.0° |
| C16 | C17 | C18 | C25 | 178.1° | 179.9° |
| C16 | C17 | C18 | C19 | 178.0° | 180.0° |
| C16 | C17 | C25 | C24 | 178.0° | 180.0° |
| C17 | C16 | H16A | H16B | 119.1° | 120.0° |
| C16 | C17 | C18 | H18 | 2.0° | 0.0° |
| C16 | C17 | C25 | H25 | 2.0° | 0.0° |
| C17 | C16 | N15 | H15 | 85.9° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.1° |
| C18 | C17 | C25 | C24 | 0.1° | 0.2° |
| C18 | C17 | C16 | H16A | 60.7° | 150.0° |
| C18 | C17 | C16 | H16B | 58.7° | 30.0° |
| C17 | C18 | C19 | H19 | 180.0° | 179.9° |
| C18 | C17 | C25 | H25 | 179.9° | 179.8° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.2° | 179.9° |
| C19 | C18 | C17 | C25 | 0.1° | 0.1° |
| C18 | C19 | C20 | C24 | 0.0° | 0.3° |
| C19 | C20 | C21 | C24 | 179.3° | 179.7° |
| C19 | C20 | C21 | N22 | 179.3° | 180.0° |
| C19 | C20 | C24 | N23 | 179.4° | 179.8° |
| C19 | C20 | C24 | C25 | 0.0° | 0.3° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | C20 | C21 | H21 | 0.7° | 0.1° |
| C20 | C21 | N22 | H21 | 180.0° | 179.9° |
| C20 | C21 | N22 | N23 | 0.0° | 0.5° |
| C21 | C20 | C24 | N23 | 0.0° | 0.1° |
| C21 | C20 | C24 | C25 | 179.5° | 180.0° |
| C21 | C20 | C19 | H19 | 0.8° | 0.1° |
| C21 | N22 | N23 | C24 | 0.1° | 0.4° |
| C21 | N22 | N23 | C26 | 178.0° | 179.9° |
| N22 | C21 | C20 | C24 | 0.0° | 0.3° |
| N22 | N23 | C24 | C26 | 177.9° | 179.6° |
| N22 | N23 | C24 | C25 | 179.4° | 179.8° |
| N22 | N23 | C24 | C20 | 0.1° | 0.2° |
| N23 | N22 | C21 | H21 | 180.0° | 179.6° |
| N22 | N23 | C26 | H26C | 0.0° | 90.1° |
| N22 | N23 | C26 | H26B | 120.0° | 149.9° |
| N22 | N23 | C26 | H26A | 120.0° | 30.0° |
| N23 | C24 | C25 | C20 | 179.3° | 179.9° |
| N23 | C24 | C25 | C17 | 179.2° | 180.0° |
| N23 | C24 | C25 | H25 | 0.8° | 0.0° |
| C24 | N23 | C26 | H26C | 177.7° | 89.5° |
| C24 | N23 | C26 | H26B | 62.3° | 30.5° |
| C24 | N23 | C26 | H26A | 57.7° | 150.4° |
| C25 | C24 | N23 | C26 | 1.6° | 0.1° |
| C24 | C25 | C17 | H25 | 180.0° | 180.0° |
| C26 | N23 | C24 | C20 | 177.8° | 179.8° |
| N23 | C26 | H26C | H26B | 120.0° | 119.9° |
| N23 | C26 | H26C | H26A | 120.0° | 120.1° |
| N23 | C26 | H26B | H26A | 120.0° | 120.0° |
| C4 | N27 | N28 | C31 | 178.5° | 179.9° |
| C4 | N27 | N28 | N29 | 178.7° | 179.6° |
| C4 | N27 | C31 | C30 | 178.4° | 179.9° |
| C4 | N27 | C31 | C32 | 1.1° | 0.2° |
| N27 | C4 | C2 | H2 | 146.8° | 65.2° |
| N27 | N28 | N29 | C30 | 0.2° | 0.4° |
| N28 | N27 | C31 | C30 | 0.2° | 0.1° |
| N28 | N27 | C31 | C32 | 177.2° | 179.9° |
| N28 | N27 | C4 | H4 | 3.3° | 180.0° |
| N28 | N29 | C30 | C31 | 0.1° | 0.3° |
| N29 | N28 | N27 | C31 | 0.2° | 0.3° |
| N28 | N29 | C30 | C70 | 176.6° | 180.0° |
| N29 | C30 | C31 | C70 | 176.7° | 179.7° |
| N29 | C30 | C31 | C32 | 177.7° | 179.9° |
| N29 | C30 | C70 | C34 | 165.3° | 163.1° |
| N29 | C30 | C31 | N27 | 0.0° | 0.2° |
| N29 | C30 | C70 | H70B | 74.6° | 43.4° |
| N29 | C30 | C70 | H70A | 45.3° | 77.2° |
| C30 | C31 | C32 | N27 | 177.0° | 179.9° |
| C30 | C31 | C32 | C33 | 13.7° | 16.5° |
| C31 | C30 | C70 | C34 | 18.5° | 16.5° |
| C30 | C31 | C32 | H32B | 133.9° | 136.1° |
| C30 | C31 | C32 | H32A | 106.4° | 103.3° |
| C31 | C30 | C70 | H70B | 101.6° | 136.2° |
| C31 | C30 | C70 | H70A | 138.5° | 103.1° |
| C31 | C32 | C33 | H32B | 120.1° | 119.7° |
| C31 | C32 | C33 | H32A | 120.1° | 119.8° |
| C31 | C32 | C33 | C34 | 45.2° | 49.8° |
| C32 | C31 | C30 | C70 | 1.0° | 0.2° |
| C31 | C32 | H32B | H32A | 119.6° | 120.6° |
| C31 | C32 | C33 | H33A | 75.3° | 70.3° |
| C31 | C32 | C33 | H33B | 165.7° | 169.7° |
| C32 | C33 | C34 | H33A | 120.5° | 120.0° |
| C32 | C33 | C34 | H33B | 120.5° | 119.9° |
| C32 | C33 | C34 | C35 | 176.5° | 169.9° |
| C32 | C33 | C34 | C70 | 64.4° | 70.1° |
| C33 | C32 | C31 | N27 | 163.2° | 163.4° |
| C33 | C32 | H32B | H32A | 119.6° | 120.6° |
| C32 | C33 | H33A | H33B | 118.5° | 119.9° |
| C32 | C33 | C34 | H34 | 54.9° | 49.9° |
| C33 | C34 | C35 | C70 | 120.4° | 120.1° |
| C33 | C34 | C35 | H34 | 121.6° | 120.0° |
| C33 | C34 | C35 | C36 | 44.2° | 175.0° |
| C33 | C34 | C70 | H34 | 119.3° | 120.0° |
| C33 | C34 | C70 | C30 | 47.7° | 49.9° |
| C34 | C33 | C32 | H32B | 165.3° | 169.5° |
| C34 | C33 | C32 | H32A | 74.9° | 70.0° |
| C34 | C33 | H33A | H33B | 118.5° | 120.0° |
| C33 | C34 | C35 | H35A | 165.0° | 64.9° |
| C33 | C34 | C35 | H35B | 76.6° | 55.0° |
| C33 | C34 | C70 | H70B | 72.3° | 169.6° |
| C33 | C34 | C70 | H70A | 167.8° | 69.9° |
| C34 | C35 | C36 | H35A | 120.8° | 120.0° |
| C34 | C35 | C36 | H35B | 120.8° | 120.0° |
| C34 | C35 | C36 | C37 | 154.1° | 179.9° |
| C35 | C34 | C70 | H34 | 118.1° | 120.0° |
| C35 | C34 | C70 | C30 | 170.3° | 169.9° |
| C35 | C34 | C33 | H33A | 63.0° | 70.1° |
| C35 | C34 | C33 | H33B | 56.0° | 50.0° |
| C34 | C35 | H35A | H35B | 117.5° | 119.9° |
| C34 | C35 | C36 | H36B | 85.1° | 60.0° |
| C34 | C35 | C36 | H36A | 33.3° | 60.0° |
| C35 | C34 | C70 | H70B | 50.2° | 70.4° |
| C35 | C34 | C70 | H70A | 69.7° | 50.1° |
| C35 | C36 | C37 | H36B | 120.8° | 120.0° |
| C35 | C36 | C37 | H36A | 120.8° | 120.1° |
| C35 | C36 | C37 | N38 | 164.9° | 180.0° |
| C36 | C35 | C34 | C70 | 164.6° | 64.9° |
| C36 | C35 | C34 | H34 | 77.4° | 55.0° |
| C36 | C35 | H35A | H35B | 117.5° | 120.0° |
| C35 | C36 | H36B | H36A | 117.4° | 120.0° |
| C35 | C36 | C37 | H37A | 44.5° | 60.0° |
| C35 | C36 | C37 | H37B | 74.7° | 60.0° |
| C36 | C37 | N38 | H37A | 120.4° | 119.9° |
| C36 | C37 | N38 | H37B | 120.4° | 120.0° |
| C36 | C37 | N38 | C39 | 158.9° | 67.4° |
| C36 | C37 | N38 | C45 | 74.1° | 170.0° |
| C37 | C36 | C35 | H35A | 33.3° | 60.0° |
| C37 | C36 | C35 | H35B | 85.1° | 60.0° |
| C37 | C36 | H36B | H36A | 117.4° | 120.0° |
| C36 | C37 | H37A | H37B | 118.8° | 120.0° |
| C37 | N38 | C39 | C45 | 124.6° | 123.2° |
| C37 | N38 | C39 | C40 | 124.6° | 142.5° |
| C37 | N38 | C45 | C43 | 154.8° | 156.5° |
| N38 | C37 | C36 | H36B | 74.2° | 60.0° |
| N38 | C37 | C36 | H36A | 44.1° | 59.9° |
| N38 | C37 | H37A | H37B | 118.8° | 120.1° |
| C37 | N38 | C39 | H39B | 114.7° | 96.7° |
| C37 | N38 | C39 | H39A | 3.9° | 21.8° |
| C37 | N38 | C45 | H45A | 34.4° | 35.7° |
| C37 | N38 | C45 | H45B | 84.9° | 82.8° |
| N38 | C39 | C40 | H39B | 120.7° | 120.8° |
| N38 | C39 | C40 | H39A | 120.7° | 120.7° |
| N38 | C39 | C40 | C41 | 68.4° | 41.0° |
| C39 | N38 | C45 | C43 | 79.2° | 80.4° |
| C39 | N38 | C37 | H37A | 38.5° | 52.5° |
| C39 | N38 | C37 | H37B | 80.7° | 172.5° |
| N38 | C39 | H39B | H39A | 117.9° | 118.5° |
| N38 | C39 | C40 | H40A | 170.6° | 79.5° |
| N38 | C39 | C40 | H40B | 52.6° | 161.6° |
| C39 | N38 | C45 | H45A | 160.5° | 158.9° |
| C39 | N38 | C45 | H45B | 41.2° | 40.4° |
| C39 | C40 | C41 | H40A | 121.0° | 120.6° |
| C39 | C40 | C41 | H40B | 121.0° | 120.6° |
| C39 | C40 | C41 | N42 | 27.0° | 41.1° |
| C40 | C39 | N38 | C45 | 0.0° | 94.3° |
| C40 | C39 | H39B | H39A | 117.9° | 118.4° |
| C39 | C40 | H40A | H40B | 116.8° | 119.0° |
| C39 | C40 | C41 | H41A | 93.6° | 79.7° |
| C39 | C40 | C41 | H41B | 147.6° | 161.9° |
| C40 | C41 | N42 | H41A | 120.6° | 120.8° |
| C40 | C41 | N42 | H41B | 120.6° | 120.8° |
| C40 | C41 | N42 | C43 | 59.8° | 94.4° |
| C40 | C41 | N42 | C46 | 120.1° | 142.5° |
| C41 | C40 | C39 | H39B | 52.3° | 79.7° |
| C41 | C40 | C39 | H39A | 171.0° | 161.8° |
| C41 | C40 | H40A | H40B | 116.8° | 118.8° |
| C40 | C41 | H41A | H41B | 118.0° | 118.5° |
| C41 | N42 | C43 | C46 | 179.9° | 123.2° |
| C41 | N42 | C43 | C44 | 77.0° | 159.0° |
| C41 | N42 | C43 | C45 | 47.5° | 80.4° |
| C41 | N42 | C46 | N47 | 1.5° | 54.9° |
| C41 | N42 | C46 | N51 | 176.1° | 124.8° |
| N42 | C41 | C40 | H40A | 148.0° | 161.7° |
| N42 | C41 | C40 | H40B | 94.0° | 79.5° |
| N42 | C41 | H41A | H41B | 118.0° | 118.4° |
| C41 | N42 | C43 | H43 | 165.0° | 40.3° |
| N42 | C43 | C44 | C45 | 124.9° | 122.6° |
| N42 | C43 | C44 | H43 | 118.2° | 118.7° |
| N42 | C43 | C45 | H43 | 117.8° | 120.6° |
| C43 | N42 | C46 | N47 | 178.4° | 67.6° |
| N42 | C43 | C45 | N38 | 47.9° | 60.7° |
| C43 | N42 | C46 | N51 | 4.0° | 112.7° |
| C43 | N42 | C41 | H41A | 179.6° | 26.5° |
| C43 | N42 | C41 | H41B | 60.8° | 144.8° |
| N42 | C43 | C44 | H44A | 180.0° | 173.7° |
| N42 | C43 | C44 | H44B | 60.0° | 53.8° |
| N42 | C43 | C44 | H44C | 60.0° | 66.2° |
| N42 | C43 | C45 | H45A | 168.3° | 178.6° |
| N42 | C43 | C45 | H45B | 72.5° | 60.0° |
| C44 | C43 | C45 | H43 | 116.9° | 118.7° |
| C44 | C43 | N42 | C46 | 103.1° | 35.8° |
| C44 | C43 | C45 | N38 | 173.2° | 178.6° |
| C43 | C44 | H44A | H44B | 120.0° | 120.0° |
| C43 | C44 | H44A | H44C | 120.0° | 120.0° |
| C43 | C44 | H44B | H44C | 120.0° | 120.0° |
| C44 | C43 | C45 | H45A | 66.5° | 57.9° |
| C44 | C43 | C45 | H45B | 52.8° | 60.7° |
| C45 | C43 | N42 | C46 | 132.3° | 156.5° |
| C43 | C45 | N38 | H45A | 120.4° | 120.7° |
| C43 | C45 | N38 | H45B | 120.4° | 120.7° |
| C45 | C43 | C44 | H44A | 55.1° | 63.6° |
| C45 | C43 | C44 | H44B | 175.1° | 176.4° |
| C45 | C43 | C44 | H44C | 64.9° | 56.4° |
| C43 | C45 | H45A | H45B | 118.8° | 118.7° |
| N42 | C46 | N47 | N51 | 177.4° | 179.7° |
| N42 | C46 | N47 | C48 | 177.0° | 180.0° |
| N42 | C46 | N51 | C50 | 177.1° | 179.7° |
| C46 | N42 | C41 | H41A | 0.5° | 96.7° |
| C46 | N42 | C41 | H41B | 119.3° | 21.7° |
| C46 | N42 | C43 | H43 | 14.8° | 82.9° |
| C46 | N47 | C48 | C49 | 0.2° | 0.0° |
| N47 | C46 | N51 | C50 | 0.3° | 0.0° |
| C46 | N47 | C48 | H48 | 179.8° | 179.5° |
| N47 | C48 | C49 | H48 | 180.0° | 179.5° |
| N47 | C48 | C49 | C50 | 0.1° | 0.4° |
| C48 | N47 | C46 | N51 | 0.3° | 0.3° |
| N47 | C48 | C49 | H49 | 179.8° | 179.4° |
| C48 | C49 | C50 | H49 | 180.0° | 179.9° |
| C48 | C49 | C50 | N51 | 0.1° | 0.7° |
| C48 | C49 | C50 | C52 | 177.8° | 180.0° |
| C49 | C50 | N51 | C52 | 178.0° | 179.3° |
| C49 | C50 | C52 | N53 | 166.7° | 180.0° |
| C49 | C50 | N51 | C46 | 0.2° | 0.5° |
| C49 | C50 | C52 | N56 | 11.8° | 0.3° |
| C50 | C49 | C48 | H48 | 179.9° | 180.0° |
| N51 | C50 | C52 | N53 | 15.2° | 0.7° |
| N51 | C50 | C52 | N56 | 166.3° | 179.0° |
| N51 | C50 | C49 | H49 | 179.9° | 179.2° |
| C50 | C52 | N53 | N56 | 178.6° | 179.7° |
| C50 | C52 | N53 | O54 | 178.6° | 180.0° |
| C50 | C52 | N56 | C55 | 178.5° | 180.0° |
| C52 | C50 | N51 | C46 | 177.8° | 179.8° |
| C52 | C50 | C49 | H49 | 2.2° | 0.1° |
| C52 | N53 | O54 | C55 | 0.1° | 0.2° |
| N53 | C52 | N56 | C55 | 0.2° | 0.3° |
| N53 | O54 | C55 | N56 | 0.2° | 0.0° |
| N53 | O54 | C55 | C57 | 175.7° | 179.8° |
| O54 | N53 | C52 | N56 | 0.1° | 0.3° |
| O54 | C55 | N56 | C57 | 175.5° | 179.8° |
| O54 | C55 | C57 | C58 | 166.7° | 120.2° |
| O54 | C55 | C57 | C59 | 74.0° | 0.1° |
| O54 | C55 | N56 | C52 | 0.2° | 0.2° |
| O54 | C55 | C57 | C66 | 49.4° | 119.4° |
| N56 | C55 | C57 | C58 | 8.7° | 60.0° |
| N56 | C55 | C57 | C59 | 110.6° | 179.7° |
| N56 | C55 | C57 | C66 | 126.0° | 60.4° |
| C55 | C57 | C58 | C59 | 119.6° | 120.3° |
| C55 | C57 | C58 | C66 | 118.4° | 120.4° |
| C55 | C57 | C59 | C66 | 122.4° | 119.8° |
| C55 | C57 | C59 | C60 | 100.9° | 170.4° |
| C55 | C57 | C66 | C65 | 52.4° | 43.1° |
| C57 | C55 | N56 | C52 | 175.3° | 180.0° |
| C55 | C57 | C66 | C62 | 130.8° | 136.9° |
| C55 | C57 | C58 | H58A | 180.0° | 60.0° |
| C55 | C57 | C58 | H58B | 60.0° | 180.0° |
| C55 | C57 | C58 | H58C | 60.0° | 60.0° |
| C55 | C57 | C59 | H59A | 138.1° | 50.5° |
| C55 | C57 | C59 | H59B | 20.0° | 69.7° |
| C58 | C57 | C59 | C66 | 119.9° | 119.9° |
| C58 | C57 | C59 | C60 | 141.4° | 69.3° |
| C58 | C57 | C66 | C65 | 64.2° | 77.3° |
| C58 | C57 | C66 | C62 | 112.6° | 102.7° |
| C57 | C58 | H58A | H58B | 120.0° | 120.0° |
| C57 | C58 | H58A | H58C | 120.0° | 120.1° |
| C57 | C58 | H58B | H58C | 120.0° | 120.0° |
| C58 | C57 | C59 | H59A | 20.4° | 170.8° |
| C58 | C57 | C59 | H59B | 97.7° | 50.6° |
| C57 | C59 | C60 | H59A | 121.0° | 119.9° |
| C57 | C59 | C60 | H59B | 121.0° | 119.9° |
| C57 | C59 | C60 | C61 | 54.2° | 70.3° |
| C59 | C57 | C66 | C65 | 175.0° | 162.9° |
| C59 | C57 | C66 | C62 | 8.2° | 17.2° |
| C57 | C59 | C60 | H60A | 174.4° | 49.5° |
| C57 | C59 | C60 | H60B | 66.1° | 169.7° |
| C59 | C57 | C58 | H58A | 60.4° | 60.2° |
| C59 | C57 | C58 | H58B | 179.6° | 59.7° |
| C59 | C57 | C58 | H58C | 59.6° | 179.7° |
| C57 | C59 | H59A | H59B | 116.9° | 120.2° |
| C59 | C60 | C61 | H60A | 120.2° | 119.9° |
| C59 | C60 | C61 | H60B | 120.2° | 120.0° |
| C59 | C60 | C61 | C62 | 53.7° | 49.9° |
| C60 | C59 | C57 | C66 | 21.5° | 50.6° |
| C59 | C60 | H60A | H60B | 119.2° | 120.2° |
| C60 | C59 | H59A | H59B | 116.9° | 120.1° |
| C59 | C60 | C61 | H61B | 66.1° | 169.7° |
| C59 | C60 | C61 | H61A | 173.6° | 69.8° |
| C60 | C61 | C62 | H61B | 119.8° | 119.8° |
| C60 | C61 | C62 | H61A | 119.9° | 119.7° |
| C60 | C61 | C62 | S63 | 150.5° | 163.4° |
| C60 | C61 | C62 | C66 | 26.4° | 16.6° |
| C61 | C60 | H60A | H60B | 119.3° | 120.2° |
| C61 | C60 | C59 | H59A | 66.9° | 49.6° |
| C61 | C60 | C59 | H59B | 175.1° | 169.8° |
| C60 | C61 | H61B | H61A | 120.4° | 120.4° |
| C61 | C62 | S63 | C66 | 177.3° | 180.0° |
| C61 | C62 | S63 | C64 | 177.3° | 180.0° |
| C61 | C62 | C66 | C65 | 177.2° | 180.0° |
| C61 | C62 | C66 | C57 | 5.5° | 0.0° |
| C62 | C61 | C60 | H60A | 174.0° | 69.9° |
| C62 | C61 | C60 | H60B | 66.5° | 169.9° |
| C62 | C61 | H61B | H61A | 120.4° | 120.3° |
| C62 | S63 | C64 | C65 | 0.0° | 0.0° |
| S63 | C62 | C66 | C65 | 0.0° | 0.1° |
| C62 | S63 | C64 | N69 | 179.8° | 180.0° |
| S63 | C62 | C66 | C57 | 177.3° | 180.0° |
| S63 | C62 | C61 | H61B | 89.6° | 43.6° |
| S63 | C62 | C61 | H61A | 30.7° | 76.9° |
| S63 | C64 | C65 | N69 | 179.8° | 180.0° |
| S63 | C64 | C65 | C66 | 0.0° | 0.0° |
| S63 | C64 | C65 | C67 | 179.5° | 179.8° |
| C64 | S63 | C62 | C66 | 0.0° | 0.0° |
| S63 | C64 | N69 | H69B | 0.0° | 179.9° |
| S63 | C64 | N69 | H69A | 120.0° | 0.1° |
| C64 | C65 | C66 | C67 | 179.5° | 179.8° |
| C64 | C65 | C67 | N68 | 150.5° | 131.8° |
| C64 | C65 | C66 | C57 | 177.1° | 180.0° |
| C64 | C65 | C66 | C62 | 0.0° | 0.0° |
| C65 | C64 | N69 | H69B | 179.8° | 0.1° |
| C65 | C64 | N69 | H69A | 60.2° | 179.9° |
| C66 | C65 | C67 | N68 | 30.0° | 48.3° |
| C66 | C65 | C64 | N69 | 179.8° | 180.0° |
| C65 | C66 | C57 | C62 | 176.8° | 180.0° |
| C67 | C65 | C64 | N69 | 0.2° | 0.2° |
| C67 | C65 | C66 | C57 | 2.4° | 0.2° |
| C67 | C65 | C66 | C62 | 179.5° | 179.8° |
| C64 | N69 | H69B | H69A | 120.0° | 180.0° |
| C34 | C70 | C30 | H70B | 120.0° | 119.7° |
| C34 | C70 | C30 | H70A | 120.0° | 119.7° |
| C70 | C34 | C33 | H33A | 56.0° | 49.9° |
| C70 | C34 | C33 | H33B | 175.1° | 170.0° |
| C70 | C34 | C35 | H35A | 74.6° | 55.1° |
| C70 | C34 | C35 | H35B | 43.8° | 175.1° |
| C34 | C70 | H70B | H70A | 119.9° | 120.5° |
| C12 | N7 | C8 | H8B | 138.4° | 94.7° |
| C12 | N7 | C8 | H8A | 99.4° | 143.0° |
| N7 | C12 | C11 | H11B | 144.3° | 96.2° |
| N7 | C12 | C11 | H11A | 94.0° | 140.8° |
| C17 | C25 | C24 | C20 | 0.1° | 0.0° |
| C25 | C17 | C16 | H16A | 117.4° | 30.1° |
| C25 | C17 | C16 | H16B | 123.2° | 150.1° |
| C25 | C17 | C18 | H18 | 179.9° | 179.9° |
| N27 | C31 | C30 | C70 | 176.8° | 179.9° |
| C31 | N27 | C4 | H4 | 178.5° | 0.1° |
| N27 | C31 | C32 | H32B | 43.1° | 43.8° |
| N27 | C31 | C32 | H32A | 76.6° | 76.8° |
| C45 | N38 | C37 | H37A | 165.5° | 70.1° |
| C45 | N38 | C37 | H37B | 46.3° | 50.0° |
| C45 | N38 | C39 | H39B | 120.7° | 26.4° |
| C45 | N38 | C39 | H39A | 120.7° | 144.9° |
| N38 | C45 | C43 | H43 | 69.9° | 59.9° |
| N38 | C45 | H45A | H45B | 118.9° | 118.6° |
| C66 | C57 | C58 | H58A | 61.6° | 179.6° |
| C66 | C57 | C58 | H58B | 58.5° | 59.7° |
| C66 | C57 | C58 | H58C | 178.4° | 60.3° |
| C66 | C57 | C59 | H59A | 99.5° | 69.3° |
| C66 | C57 | C59 | H59B | 142.5° | 170.5° |
| C24 | C20 | C19 | H19 | 180.0° | 179.7° |
| C24 | C20 | C21 | H21 | 180.0° | 179.7° |
| C20 | C24 | C25 | H25 | 179.9° | 180.0° |
| C30 | C70 | C34 | H34 | 71.6° | 70.2° |
| C30 | C70 | H70B | H70A | 119.9° | 120.6° |
| C66 | C62 | C61 | H61B | 93.4° | 136.4° |
| C66 | C62 | C61 | H61A | 146.3° | 103.1° |
| H1C | C1 | H1B | H1A | 120.0° | 120.1° |
| H1C | C1 | C2 | H2 | 64.6° | 65.2° |
| H1B | C1 | C2 | H2 | 55.4° | 54.8° |
| H1A | C1 | C2 | H2 | 175.3° | 174.9° |
| H2 | C2 | C3 | H3A | 64.7° | 180.0° |
| H2 | C2 | C3 | H3C | 175.3° | 60.0° |
| H2 | C2 | C3 | H3B | 55.3° | 60.1° |
| H2 | C2 | C4 | H4 | 28.9° | 174.8° |
| H3A | C3 | H3C | H3B | 120.0° | 119.9° |
| H8B | C8 | C9 | H9 | 88.8° | 36.2° |
| H8A | C8 | C9 | H9 | 33.4° | 85.9° |
| H11B | C11 | C12 | H12 | 25.5° | 144.3° |
| H11B | C11 | C9 | H9 | 85.7° | 35.2° |
| H11A | C11 | C12 | H12 | 147.2° | 21.2° |
| H11A | C11 | C9 | H9 | 36.0° | 88.0° |
| H60A | C60 | C59 | H59A | 53.4° | 169.5° |
| H60A | C60 | C59 | H59B | 64.6° | 70.4° |
| H60A | C60 | C61 | H61B | 54.1° | 49.9° |
| H60A | C60 | C61 | H61A | 66.2° | 170.4° |
| H60B | C60 | C59 | H59A | 172.9° | 70.3° |
| H60B | C60 | C59 | H59B | 54.9° | 49.8° |
| H60B | C60 | C61 | H61B | 173.6° | 70.3° |
| H60B | C60 | C61 | H61A | 53.3° | 50.2° |
| H16A | C16 | N15 | H15 | 153.9° | 120.0° |
| H16B | C16 | N15 | H15 | 34.5° | 120.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.1° |
| H26C | C26 | H26B | H26A | 120.0° | 120.0° |
| H32B | C32 | C33 | H33A | 44.8° | 49.4° |
| H32B | C32 | C33 | H33B | 74.2° | 70.6° |
| H32A | C32 | C33 | H33A | 164.6° | 169.9° |
| H32A | C32 | C33 | H33B | 45.6° | 50.0° |
| H33A | C33 | C34 | H34 | 175.4° | 170.0° |
| H33B | C33 | C34 | H34 | 65.6° | 70.0° |
| H34 | C34 | C35 | H35A | 43.5° | 175.1° |
| H34 | C34 | C35 | H35B | 161.8° | 64.9° |
| H34 | C34 | C70 | H70B | 168.3° | 49.5° |
| H34 | C34 | C70 | H70A | 48.4° | 170.1° |
| H35A | C35 | C36 | H36B | 154.1° | 180.0° |
| H35A | C35 | C36 | H36A | 87.5° | 60.0° |
| H35B | C35 | C36 | H36B | 35.8° | 60.0° |
| H35B | C35 | C36 | H36A | 154.1° | 180.0° |
| H36B | C36 | C37 | H37A | 165.4° | 180.0° |
| H36B | C36 | C37 | H37B | 46.2° | 60.0° |
| H36A | C36 | C37 | H37A | 76.3° | 60.1° |
| H36A | C36 | C37 | H37B | 164.5° | 179.9° |
| H39B | C39 | C40 | H40A | 68.7° | 159.7° |
| H39B | C39 | C40 | H40B | 173.3° | 40.8° |
| H39A | C39 | C40 | H40A | 50.0° | 41.2° |
| H39A | C39 | C40 | H40B | 68.0° | 77.7° |
| H40A | C40 | C41 | H41A | 27.4° | 40.9° |
| H40A | C40 | C41 | H41B | 91.4° | 77.5° |
| H40B | C40 | C41 | H41A | 145.4° | 159.7° |
| H40B | C40 | C41 | H41B | 26.6° | 41.3° |
| H43 | C43 | C44 | H44A | 61.8° | 55.1° |
| H43 | C43 | C44 | H44B | 58.2° | 64.9° |
| H43 | C43 | C44 | H44C | 178.3° | 175.1° |
| H43 | C43 | C45 | H45A | 50.4° | 60.8° |
| H43 | C43 | C45 | H45B | 169.7° | 179.4° |
| H44A | C44 | H44B | H44C | 120.0° | 120.1° |
| H48 | C48 | C49 | H49 | 0.2° | 0.1° |
| H58A | C58 | H58B | H58C | 120.0° | 120.0° |
| H9 | C9 | O10 | H10 | 56.6° | 62.4° |
