A1CZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| O1 | C3 | sing | 1.43Å | 1.43Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2C | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | C19 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C18 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O6 | doub | 1.21Å | 1.23Å | |
| C5 | N7 | sing | 1.35Å | 1.35Å | |
| N7 | C8 | sing | 1.46Å | 1.47Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C9 | H9C | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | O17 | sing | 1.43Å | 1.42Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C18 | H18C | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| C19 | N23 | sing | 1.47Å | 1.47Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.55Å | 1.51Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | N23 | sing | 1.47Å | 1.48Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| N23 | C24 | sing | 1.35Å | 1.36Å | |
| C24 | O25 | doub | 1.21Å | 1.22Å | |
| C24 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.58Å | |
| C27 | O82 | sing | 1.43Å | 1.43Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | N33 | sing | 1.46Å | 1.50Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30C | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| N33 | C34 | sing | 1.46Å | 1.47Å | |
| N33 | C35 | sing | 1.35Å | 1.36Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C34 | H34C | sing | 1.09Å | 1.10Å | |
| C35 | O36 | doub | 1.21Å | 1.22Å | |
| C35 | C37 | sing | 1.51Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | N41 | sing | 1.47Å | 1.46Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39C | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C40 | H40C | sing | 1.09Å | 1.10Å | |
| N41 | C42 | sing | 1.35Å | 1.34Å | |
| N41 | H41 | sing | 0.97Å | 1.00Å | |
| C42 | O43 | doub | 1.21Å | 1.23Å | |
| C42 | C44 | sing | 1.51Å | 1.54Å | |
| C44 | C45 | sing | 1.53Å | 1.56Å | |
| C44 | N48 | sing | 1.46Å | 1.48Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| C46 | H46C | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C47 | H47C | sing | 1.09Å | 1.10Å | |
| N48 | C49 | sing | 1.35Å | 1.36Å | |
| N48 | C81 | sing | 1.47Å | 1.46Å | |
| C49 | O50 | doub | 1.22Å | 1.21Å | |
| C49 | O51 | sing | 1.35Å | 1.35Å | |
| O51 | C52 | sing | 1.45Å | 1.46Å | |
| C52 | C53 | sing | 1.51Å | 1.50Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C52 | H52B | sing | 1.09Å | 1.10Å | |
| C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C80 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.38Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | C56 | doub | 1.39Å | 1.39Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | N57 | sing | 1.40Å | 1.42Å | |
| C56 | C79 | sing | 1.39Å | 1.39Å | Aromatic |
| N57 | C58 | sing | 1.35Å | 1.36Å | |
| N57 | H57 | sing | 0.97Å | 1.00Å | |
| C58 | O59 | doub | 1.21Å | 1.23Å | |
| C58 | C60 | sing | 1.51Å | 1.53Å | |
| C60 | C61 | sing | 1.53Å | 1.52Å | |
| C60 | N62 | sing | 1.46Å | 1.45Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C61 | H61A | sing | 1.09Å | 1.10Å | |
| C61 | H61B | sing | 1.09Å | 1.10Å | |
| C61 | H61C | sing | 1.09Å | 1.10Å | |
| N62 | C63 | sing | 1.35Å | 1.34Å | |
| N62 | H62 | sing | 0.97Å | 1.00Å | |
| C63 | O64 | doub | 1.21Å | 1.23Å | |
| C63 | C65 | sing | 1.51Å | 1.53Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C65 | N67 | sing | 1.47Å | 1.45Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| C66 | H66B | sing | 1.09Å | 1.10Å | |
| C66 | H66C | sing | 1.09Å | 1.10Å | |
| N67 | C68 | sing | 1.35Å | 1.34Å | |
| N67 | H67 | sing | 0.97Å | 1.00Å | |
| C68 | O69 | doub | 1.21Å | 1.23Å | |
| C68 | C70 | sing | 1.51Å | 1.51Å | |
| C70 | C71 | sing | 1.53Å | 1.52Å | |
| C70 | H70A | sing | 1.09Å | 1.10Å | |
| C70 | H70B | sing | 1.09Å | 1.10Å | |
| C71 | N72 | sing | 1.46Å | 1.47Å | |
| C71 | H71A | sing | 1.09Å | 1.10Å | |
| C71 | H71B | sing | 1.09Å | 1.10Å | |
| N72 | C73 | sing | 1.34Å | 1.39Å | |
| N72 | C77 | sing | 1.34Å | 1.39Å | |
| C73 | O74 | doub | 1.21Å | 1.22Å | |
| C73 | C75 | sing | 1.51Å | 1.50Å | |
| C75 | H751 | sing | 1.09Å | 1.10Å | |
| C75 | C76 | sing | 1.54Å | 1.52Å | |
| C76 | H761 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.51Å | 1.50Å | |
| C77 | O78 | doub | 1.21Å | 1.22Å | |
| C79 | C80 | doub | 1.38Å | 1.38Å | Aromatic |
| C79 | H79 | sing | 1.08Å | 1.08Å | |
| C80 | H80 | sing | 1.08Å | 1.08Å | |
| C81 | H81A | sing | 1.09Å | 1.10Å | |
| C81 | H81B | sing | 1.09Å | 1.10Å | |
| C81 | H81C | sing | 1.09Å | 1.10Å | |
| O82 | C83 | sing | 1.43Å | 1.43Å | |
| C83 | H83A | sing | 1.09Å | 1.10Å | |
| C83 | H83B | sing | 1.09Å | 1.10Å | |
| C83 | H83C | sing | 1.09Å | 1.10Å | |
| C75 | H1 | sing | 1.09Å | 1.10Å | |
| C76 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C3 | 115.6° | 114.0° |
| O1 | C2 | H2A | 109.5° | 109.4° |
| O1 | C2 | H2B | 109.5° | 109.5° |
| O1 | C2 | H2C | 109.5° | 109.4° |
| O1 | C3 | C4 | 105.8° | 109.4° |
| O1 | C3 | C19 | 109.9° | 109.5° |
| O1 | C3 | H3 | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.4° | 109.5° |
| H2A | C2 | H2C | 109.4° | 109.5° |
| H2B | C2 | H2C | 109.5° | 109.5° |
| C4 | C3 | C19 | 115.7° | 109.5° |
| C4 | C3 | H3 | 107.7° | 109.5° |
| C3 | C4 | C5 | 111.0° | 109.4° |
| C3 | C4 | C18 | 114.9° | 109.5° |
| C3 | C4 | H4 | 106.7° | 109.5° |
| C19 | C3 | H3 | 108.1° | 109.5° |
| C3 | C19 | C20 | 115.0° | 109.9° |
| C3 | C19 | N23 | 113.4° | 109.9° |
| C3 | C19 | H19 | 108.3° | 109.9° |
| C5 | C4 | C18 | 109.6° | 109.5° |
| C5 | C4 | H4 | 107.1° | 109.4° |
| C4 | C5 | O6 | 120.9° | 120.0° |
| C4 | C5 | N7 | 115.8° | 120.0° |
| C18 | C4 | H4 | 107.1° | 109.5° |
| C4 | C18 | H18A | 109.5° | 109.5° |
| C4 | C18 | H18B | 109.4° | 109.5° |
| C4 | C18 | H18C | 109.5° | 109.5° |
| O6 | C5 | N7 | 123.3° | 119.9° |
| C5 | N7 | C8 | 124.0° | 120.0° |
| C5 | N7 | H7 | 118.0° | 120.0° |
| C8 | N7 | H7 | 118.0° | 120.0° |
| N7 | C8 | C9 | 111.3° | 109.5° |
| N7 | C8 | C10 | 112.0° | 109.5° |
| N7 | C8 | H8 | 107.0° | 109.5° |
| C9 | C8 | C10 | 113.5° | 109.4° |
| C9 | C8 | H8 | 106.3° | 109.4° |
| C8 | C9 | H9A | 109.5° | 109.4° |
| C8 | C9 | H9B | 109.5° | 109.5° |
| C8 | C9 | H9C | 109.5° | 109.5° |
| C10 | C8 | H8 | 106.1° | 109.5° |
| C8 | C10 | C11 | 112.2° | 109.5° |
| C8 | C10 | O17 | 109.2° | 109.5° |
| C8 | C10 | H10 | 107.6° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9C | 109.4° | 109.4° |
| H9B | C9 | H9C | 109.5° | 109.5° |
| C11 | C10 | O17 | 110.5° | 109.5° |
| C11 | C10 | H10 | 108.0° | 109.4° |
| C10 | C11 | C12 | 120.7° | 120.0° |
| C10 | C11 | C16 | 120.7° | 120.0° |
| O17 | C10 | H10 | 109.2° | 109.4° |
| C10 | O17 | H17 | 109.5° | 114.0° |
| C12 | C11 | C16 | 118.6° | 120.0° |
| C11 | C12 | C13 | 120.7° | 120.0° |
| C11 | C12 | H12 | 119.7° | 120.0° |
| C11 | C16 | C15 | 120.6° | 120.0° |
| C11 | C16 | H16 | 119.7° | 120.0° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| H18A | C18 | H18B | 109.5° | 109.4° |
| H18A | C18 | H18C | 109.4° | 109.5° |
| H18B | C18 | H18C | 109.5° | 109.4° |
| C20 | C19 | N23 | 102.5° | 107.2° |
| C20 | C19 | H19 | 108.3° | 109.9° |
| C19 | C20 | C21 | 104.1° | 102.9° |
| C19 | C20 | H20A | 110.8° | 110.7° |
| C19 | C20 | H20B | 110.8° | 110.7° |
| N23 | C19 | H19 | 109.1° | 110.0° |
| C19 | N23 | C22 | 111.5° | 108.7° |
| C19 | N23 | C24 | 121.1° | 125.6° |
| C21 | C20 | H20A | 110.8° | 110.7° |
| C21 | C20 | H20B | 110.8° | 110.8° |
| C20 | C21 | C22 | 105.7° | 101.6° |
| C20 | C21 | H21A | 110.4° | 111.0° |
| C20 | C21 | H21B | 110.4° | 111.0° |
| H20A | C20 | H20B | 109.4° | 110.8° |
| C22 | C21 | H21A | 110.4° | 111.0° |
| C22 | C21 | H21B | 110.4° | 111.0° |
| C21 | C22 | N23 | 104.4° | 104.8° |
| C21 | C22 | H22A | 110.7° | 110.4° |
| C21 | C22 | H22B | 110.7° | 110.3° |
| H21A | C21 | H21B | 109.5° | 110.9° |
| N23 | C22 | H22A | 110.8° | 110.4° |
| N23 | C22 | H22B | 110.7° | 110.4° |
| C22 | N23 | C24 | 127.4° | 125.7° |
| H22A | C22 | H22B | 109.5° | 110.4° |
| N23 | C24 | O25 | 120.3° | 120.0° |
| N23 | C24 | C26 | 120.9° | 120.0° |
| O25 | C24 | C26 | 118.8° | 120.0° |
| C24 | C26 | C27 | 118.7° | 109.5° |
| C24 | C26 | H26A | 107.1° | 109.5° |
| C24 | C26 | H26B | 107.1° | 109.4° |
| C27 | C26 | H26A | 107.1° | 109.5° |
| C27 | C26 | H26B | 107.1° | 109.5° |
| C26 | C27 | C28 | 113.0° | 109.5° |
| C26 | C27 | O82 | 105.1° | 109.5° |
| C26 | C27 | H27 | 109.8° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| C28 | C27 | O82 | 108.4° | 109.5° |
| C28 | C27 | H27 | 109.2° | 109.4° |
| C27 | C28 | C29 | 114.1° | 109.5° |
| C27 | C28 | N33 | 111.4° | 109.5° |
| C27 | C28 | H28 | 105.5° | 109.5° |
| O82 | C27 | H27 | 111.3° | 109.5° |
| C27 | O82 | C83 | 115.5° | 114.0° |
| C29 | C28 | N33 | 112.8° | 109.4° |
| C29 | C28 | H28 | 105.8° | 109.5° |
| C28 | C29 | C30 | 114.5° | 109.5° |
| C28 | C29 | C31 | 111.6° | 109.5° |
| C28 | C29 | H29 | 106.4° | 109.5° |
| N33 | C28 | H28 | 106.4° | 109.4° |
| C28 | N33 | C34 | 117.1° | 120.0° |
| C28 | N33 | C35 | 118.3° | 120.0° |
| C30 | C29 | C31 | 110.5° | 109.4° |
| C30 | C29 | H29 | 106.7° | 109.5° |
| C29 | C30 | H30A | 109.5° | 109.5° |
| C29 | C30 | H30B | 109.5° | 109.5° |
| C29 | C30 | H30C | 109.5° | 109.5° |
| C31 | C29 | H29 | 106.6° | 109.5° |
| C29 | C31 | C32 | 115.2° | 109.4° |
| C29 | C31 | H31A | 108.0° | 109.5° |
| C29 | C31 | H31B | 108.0° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30C | 109.5° | 109.5° |
| H30B | C30 | H30C | 109.5° | 109.4° |
| C32 | C31 | H31A | 108.0° | 109.5° |
| C32 | C31 | H31B | 108.0° | 109.5° |
| C31 | C32 | H32A | 109.5° | 109.4° |
| C31 | C32 | H32B | 109.5° | 109.5° |
| C31 | C32 | H32C | 109.4° | 109.5° |
| H31A | C31 | H31B | 109.4° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32C | 109.5° | 109.4° |
| H32B | C32 | H32C | 109.5° | 109.5° |
| C34 | N33 | C35 | 124.6° | 119.9° |
| N33 | C34 | H34A | 109.5° | 109.5° |
| N33 | C34 | H34B | 109.5° | 109.5° |
| N33 | C34 | H34C | 109.4° | 109.4° |
| N33 | C35 | O36 | 121.4° | 119.9° |
| N33 | C35 | C37 | 119.8° | 120.0° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34C | 109.5° | 109.5° |
| H34B | C34 | H34C | 109.5° | 109.5° |
| O36 | C35 | C37 | 118.8° | 120.0° |
| C35 | C37 | C38 | 111.9° | 109.5° |
| C35 | C37 | N41 | 110.4° | 109.5° |
| C35 | C37 | H37 | 106.9° | 109.5° |
| C38 | C37 | N41 | 112.6° | 109.5° |
| C38 | C37 | H37 | 106.8° | 109.5° |
| C37 | C38 | C39 | 113.3° | 109.5° |
| C37 | C38 | C40 | 111.5° | 109.5° |
| C37 | C38 | H38 | 106.9° | 109.5° |
| N41 | C37 | H37 | 107.8° | 109.4° |
| C37 | N41 | C42 | 122.2° | 120.0° |
| C37 | N41 | H41 | 118.9° | 120.0° |
| C39 | C38 | C40 | 110.3° | 109.5° |
| C39 | C38 | H38 | 107.2° | 109.5° |
| C38 | C39 | H39A | 109.5° | 109.5° |
| C38 | C39 | H39B | 109.4° | 109.5° |
| C38 | C39 | H39C | 109.4° | 109.5° |
| C40 | C38 | H38 | 107.2° | 109.4° |
| C38 | C40 | H40A | 109.5° | 109.5° |
| C38 | C40 | H40B | 109.5° | 109.5° |
| C38 | C40 | H40C | 109.5° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.5° |
| H39A | C39 | H39C | 109.5° | 109.5° |
| H39B | C39 | H39C | 109.5° | 109.5° |
| H40A | C40 | H40B | 109.4° | 109.4° |
| H40A | C40 | H40C | 109.5° | 109.5° |
| H40B | C40 | H40C | 109.4° | 109.4° |
| C42 | N41 | H41 | 118.9° | 120.0° |
| N41 | C42 | O43 | 122.7° | 120.0° |
| N41 | C42 | C44 | 117.0° | 120.0° |
| O43 | C42 | C44 | 120.3° | 120.0° |
| C42 | C44 | C45 | 113.2° | 109.4° |
| C42 | C44 | N48 | 110.5° | 109.5° |
| C42 | C44 | H44 | 105.6° | 109.5° |
| C45 | C44 | N48 | 114.8° | 109.5° |
| C45 | C44 | H44 | 105.5° | 109.5° |
| C44 | C45 | C46 | 111.4° | 109.5° |
| C44 | C45 | C47 | 110.8° | 109.5° |
| C44 | C45 | H45 | 107.9° | 109.5° |
| N48 | C44 | H44 | 106.4° | 109.5° |
| C44 | N48 | C49 | 124.0° | 120.0° |
| C44 | N48 | C81 | 117.1° | 120.0° |
| C46 | C45 | C47 | 110.1° | 109.4° |
| C46 | C45 | H45 | 108.2° | 109.4° |
| C45 | C46 | H46A | 109.5° | 109.4° |
| C45 | C46 | H46B | 109.5° | 109.5° |
| C45 | C46 | H46C | 109.4° | 109.4° |
| C47 | C45 | H45 | 108.3° | 109.5° |
| C45 | C47 | H47A | 109.5° | 109.4° |
| C45 | C47 | H47B | 109.5° | 109.5° |
| C45 | C47 | H47C | 109.5° | 109.5° |
| H46A | C46 | H46B | 109.5° | 109.5° |
| H46A | C46 | H46C | 109.5° | 109.5° |
| H46B | C46 | H46C | 109.5° | 109.5° |
| H47A | C47 | H47B | 109.4° | 109.5° |
| H47A | C47 | H47C | 109.5° | 109.4° |
| H47B | C47 | H47C | 109.5° | 109.5° |
| C49 | N48 | C81 | 118.9° | 120.0° |
| N48 | C49 | O50 | 123.6° | 120.0° |
| N48 | C49 | O51 | 112.0° | 120.0° |
| N48 | C81 | H81A | 109.5° | 109.4° |
| N48 | C81 | H81B | 109.5° | 109.4° |
| N48 | C81 | H81C | 109.4° | 109.4° |
| O50 | C49 | O51 | 124.3° | 120.0° |
| C49 | O51 | C52 | 116.6° | 117.0° |
| O51 | C52 | C53 | 112.5° | 109.5° |
| O51 | C52 | H52A | 108.7° | 109.5° |
| O51 | C52 | H52B | 108.7° | 109.5° |
| C53 | C52 | H52A | 108.7° | 109.5° |
| C53 | C52 | H52B | 108.7° | 109.4° |
| C52 | C53 | C54 | 121.4° | 119.9° |
| C52 | C53 | C80 | 120.3° | 119.9° |
| H52A | C52 | H52B | 109.5° | 109.4° |
| C54 | C53 | C80 | 118.3° | 120.2° |
| C53 | C54 | C55 | 121.1° | 120.0° |
| C53 | C54 | H54 | 119.4° | 119.9° |
| C53 | C80 | C79 | 121.1° | 120.0° |
| C53 | C80 | H80 | 119.4° | 120.0° |
| C55 | C54 | H54 | 119.4° | 120.0° |
| C54 | C55 | C56 | 120.2° | 120.0° |
| C54 | C55 | H55 | 119.9° | 120.0° |
| C56 | C55 | H55 | 119.9° | 120.0° |
| C55 | C56 | N57 | 118.1° | 120.1° |
| C55 | C56 | C79 | 118.9° | 119.8° |
| N57 | C56 | C79 | 122.9° | 120.1° |
| C56 | N57 | C58 | 128.6° | 120.0° |
| C56 | N57 | H57 | 115.7° | 119.9° |
| C56 | C79 | C80 | 120.3° | 120.0° |
| C56 | C79 | H79 | 119.8° | 120.0° |
| C58 | N57 | H57 | 115.7° | 120.1° |
| N57 | C58 | O59 | 124.2° | 120.0° |
| N57 | C58 | C60 | 115.3° | 120.0° |
| O59 | C58 | C60 | 120.4° | 120.0° |
| C58 | C60 | C61 | 109.6° | 109.5° |
| C58 | C60 | N62 | 111.2° | 109.5° |
| C58 | C60 | H60 | 108.2° | 109.4° |
| C61 | C60 | N62 | 110.4° | 109.4° |
| C61 | C60 | H60 | 108.2° | 109.5° |
| C60 | C61 | H61A | 109.5° | 109.4° |
| C60 | C61 | H61B | 109.5° | 109.5° |
| C60 | C61 | H61C | 109.4° | 109.5° |
| N62 | C60 | H60 | 109.1° | 109.5° |
| C60 | N62 | C63 | 122.5° | 120.0° |
| C60 | N62 | H62 | 118.8° | 120.0° |
| H61A | C61 | H61B | 109.5° | 109.5° |
| H61A | C61 | H61C | 109.4° | 109.5° |
| H61B | C61 | H61C | 109.5° | 109.5° |
| C63 | N62 | H62 | 118.8° | 120.0° |
| N62 | C63 | O64 | 123.2° | 120.0° |
| N62 | C63 | C65 | 116.2° | 120.0° |
| O64 | C63 | C65 | 120.6° | 120.0° |
| C63 | C65 | C66 | 110.0° | 109.5° |
| C63 | C65 | N67 | 110.4° | 109.5° |
| C63 | C65 | H65 | 108.4° | 109.5° |
| C66 | C65 | N67 | 110.3° | 109.5° |
| C66 | C65 | H65 | 108.4° | 109.5° |
| C65 | C66 | H66A | 109.5° | 109.5° |
| C65 | C66 | H66B | 109.5° | 109.4° |
| C65 | C66 | H66C | 109.5° | 109.5° |
| N67 | C65 | H65 | 109.3° | 109.5° |
| C65 | N67 | C68 | 121.7° | 120.0° |
| C65 | N67 | H67 | 119.1° | 120.0° |
| H66A | C66 | H66B | 109.5° | 109.5° |
| H66A | C66 | H66C | 109.5° | 109.5° |
| H66B | C66 | H66C | 109.5° | 109.5° |
| C68 | N67 | H67 | 119.2° | 120.0° |
| N67 | C68 | O69 | 122.8° | 120.0° |
| N67 | C68 | C70 | 115.7° | 120.0° |
| O69 | C68 | C70 | 121.5° | 120.0° |
| C68 | C70 | C71 | 112.6° | 109.5° |
| C68 | C70 | H70A | 108.7° | 109.4° |
| C68 | C70 | H70B | 108.7° | 109.5° |
| C71 | C70 | H70A | 108.7° | 109.5° |
| C71 | C70 | H70B | 108.6° | 109.5° |
| C70 | C71 | N72 | 112.0° | 109.5° |
| C70 | C71 | H71A | 108.8° | 109.4° |
| C70 | C71 | H71B | 108.8° | 109.5° |
| H70A | C70 | H70B | 109.5° | 109.5° |
| N72 | C71 | H71A | 108.8° | 109.5° |
| N72 | C71 | H71B | 108.8° | 109.5° |
| C71 | N72 | C73 | 123.2° | 122.8° |
| C71 | N72 | C77 | 123.7° | 122.8° |
| H71A | C71 | H71B | 109.5° | 109.4° |
| C73 | N72 | C77 | 113.1° | 114.5° |
| N72 | C73 | O74 | 124.2° | 125.4° |
| N72 | C73 | C75 | 108.1° | 109.2° |
| N72 | C77 | C76 | 108.1° | 109.2° |
| N72 | C77 | O78 | 124.2° | 125.4° |
| O74 | C73 | C75 | 127.8° | 125.4° |
| C73 | C75 | H751 | 110.5° | 110.6° |
| C73 | C75 | C76 | 105.3° | 103.6° |
| C73 | C75 | H1 | 110.5° | 110.6° |
| H751 | C75 | C76 | 110.5° | 110.6° |
| H751 | C75 | H1 | 109.5° | 110.5° |
| C75 | C76 | H761 | 110.5° | 110.6° |
| C75 | C76 | C77 | 105.4° | 103.5° |
| C76 | C75 | H1 | 110.5° | 110.8° |
| C75 | C76 | H2 | 110.5° | 110.6° |
| H761 | C76 | C77 | 110.5° | 110.5° |
| H761 | C76 | H2 | 109.4° | 110.5° |
| C76 | C77 | O78 | 127.7° | 125.4° |
| C77 | C76 | H2 | 110.5° | 110.9° |
| C80 | C79 | H79 | 119.9° | 120.1° |
| C79 | C80 | H80 | 119.4° | 120.0° |
| H81A | C81 | H81B | 109.5° | 109.5° |
| H81A | C81 | H81C | 109.5° | 109.5° |
| H81B | C81 | H81C | 109.4° | 109.5° |
| O82 | C83 | H83A | 109.5° | 109.5° |
| O82 | C83 | H83B | 109.5° | 109.5° |
| O82 | C83 | H83C | 109.5° | 109.5° |
| H83A | C83 | H83B | 109.5° | 109.4° |
| H83A | C83 | H83C | 109.5° | 109.5° |
| H83B | C83 | H83C | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | H2A | H2B | 120.0° | 120.0° |
| O1 | C2 | H2A | H2C | 120.0° | 119.9° |
| O1 | C2 | H2B | H2C | 120.0° | 119.9° |
| C2 | O1 | C3 | C4 | 106.2° | 92.4° |
| C2 | O1 | C3 | C19 | 128.2° | 147.5° |
| C2 | O1 | C3 | H3 | 9.6° | 27.5° |
| C3 | O1 | C2 | H2A | 180.0° | 175.8° |
| C3 | O1 | C2 | H2B | 60.0° | 64.2° |
| C3 | O1 | C2 | H2C | 60.0° | 55.8° |
| O1 | C3 | C4 | C19 | 122.0° | 120.0° |
| O1 | C3 | C4 | H3 | 117.0° | 120.0° |
| O1 | C3 | C19 | H3 | 119.4° | 120.0° |
| O1 | C3 | C4 | C5 | 69.6° | 172.8° |
| O1 | C3 | C4 | C18 | 165.3° | 52.9° |
| O1 | C3 | C4 | H4 | 46.8° | 67.2° |
| O1 | C3 | C19 | C20 | 17.3° | 54.4° |
| O1 | C3 | C19 | N23 | 100.1° | 63.4° |
| O1 | C3 | C19 | H19 | 138.6° | 175.4° |
| H2A | C2 | H2B | H2C | 119.9° | 120.1° |
| C4 | C3 | C19 | H3 | 120.8° | 120.0° |
| C3 | C4 | C5 | C18 | 128.0° | 120.0° |
| C3 | C4 | C5 | H4 | 116.2° | 120.0° |
| C3 | C4 | C18 | H4 | 118.3° | 120.1° |
| C3 | C4 | C5 | O6 | 101.8° | 1.1° |
| C3 | C4 | C5 | N7 | 79.4° | 178.9° |
| C3 | C4 | C18 | H18A | 180.0° | 179.0° |
| C3 | C4 | C18 | H18B | 60.0° | 61.0° |
| C3 | C4 | C18 | H18C | 60.0° | 59.0° |
| C4 | C3 | C19 | C20 | 102.4° | 65.6° |
| C4 | C3 | C19 | N23 | 140.1° | 176.6° |
| C4 | C3 | C19 | H19 | 18.8° | 55.4° |
| C19 | C3 | C4 | C5 | 52.4° | 67.1° |
| C19 | C3 | C4 | C18 | 72.7° | 172.9° |
| C19 | C3 | C4 | H4 | 168.8° | 52.8° |
| C3 | C19 | C20 | N23 | 123.5° | 119.5° |
| C3 | C19 | C20 | H19 | 121.3° | 121.0° |
| C3 | C19 | N23 | H19 | 120.8° | 121.1° |
| C3 | C19 | C20 | C21 | 89.8° | 141.6° |
| C3 | C19 | C20 | H20A | 29.4° | 23.3° |
| C3 | C19 | C20 | H20B | 151.0° | 100.0° |
| C3 | C19 | N23 | C22 | 100.5° | 118.3° |
| C3 | C19 | N23 | C24 | 80.7° | 61.7° |
| H3 | C3 | C4 | C5 | 173.4° | 52.9° |
| H3 | C3 | C4 | C18 | 48.3° | 67.1° |
| H3 | C3 | C4 | H4 | 70.2° | 172.9° |
| H3 | C3 | C19 | C20 | 136.7° | 174.4° |
| H3 | C3 | C19 | N23 | 19.2° | 56.6° |
| H3 | C3 | C19 | H19 | 102.0° | 64.6° |
| C5 | C4 | C18 | H4 | 115.9° | 120.0° |
| C4 | C5 | O6 | N7 | 178.7° | 180.0° |
| C4 | C5 | N7 | C8 | 177.7° | 180.0° |
| C4 | C5 | N7 | H7 | 2.3° | 0.0° |
| C5 | C4 | C18 | H18A | 54.2° | 59.1° |
| C5 | C4 | C18 | H18B | 174.2° | 179.0° |
| C5 | C4 | C18 | H18C | 65.8° | 61.0° |
| C18 | C4 | C5 | O6 | 26.2° | 118.9° |
| C18 | C4 | C5 | N7 | 152.6° | 61.1° |
| C4 | C18 | H18A | H18B | 120.0° | 120.0° |
| C4 | C18 | H18A | H18C | 120.0° | 120.0° |
| C4 | C18 | H18B | H18C | 120.0° | 120.0° |
| H4 | C4 | C5 | O6 | 142.1° | 121.1° |
| H4 | C4 | C5 | N7 | 36.7° | 58.9° |
| H4 | C4 | C18 | H18A | 61.7° | 60.9° |
| H4 | C4 | C18 | H18B | 58.3° | 59.1° |
| H4 | C4 | C18 | H18C | 178.4° | 179.1° |
| O6 | C5 | N7 | C8 | 1.0° | 0.0° |
| O6 | C5 | N7 | H7 | 179.0° | 180.0° |
| C5 | N7 | C8 | H7 | 180.0° | 180.0° |
| C5 | N7 | C8 | C9 | 62.6° | 85.0° |
| C5 | N7 | C8 | C10 | 65.8° | 155.0° |
| C5 | N7 | C8 | H8 | 178.3° | 35.0° |
| N7 | C8 | C9 | C10 | 127.5° | 120.0° |
| N7 | C8 | C9 | H8 | 116.1° | 120.0° |
| N7 | C8 | C10 | H8 | 116.4° | 120.0° |
| N7 | C8 | C9 | H9A | 180.0° | 60.0° |
| N7 | C8 | C9 | H9B | 60.0° | 180.0° |
| N7 | C8 | C9 | H9C | 60.0° | 60.0° |
| N7 | C8 | C10 | C11 | 45.1° | 175.0° |
| N7 | C8 | C10 | O17 | 168.0° | 65.0° |
| N7 | C8 | C10 | H10 | 73.6° | 55.0° |
| H7 | N7 | C8 | C9 | 117.4° | 95.0° |
| H7 | N7 | C8 | C10 | 114.2° | 25.0° |
| H7 | N7 | C8 | H8 | 1.7° | 145.0° |
| C9 | C8 | C10 | H8 | 116.4° | 119.9° |
| C8 | C9 | H9A | H9B | 120.0° | 120.0° |
| C8 | C9 | H9A | H9C | 120.0° | 120.0° |
| C8 | C9 | H9B | H9C | 120.0° | 120.0° |
| C9 | C8 | C10 | C11 | 172.2° | 65.0° |
| C9 | C8 | C10 | O17 | 64.9° | 55.0° |
| C9 | C8 | C10 | H10 | 53.5° | 175.0° |
| C10 | C8 | C9 | H9A | 52.5° | 180.0° |
| C10 | C8 | C9 | H9B | 67.6° | 60.0° |
| C10 | C8 | C9 | H9C | 172.4° | 60.0° |
| C8 | C10 | C11 | O17 | 122.2° | 120.1° |
| C8 | C10 | C11 | H10 | 118.5° | 120.0° |
| C8 | C10 | O17 | H10 | 117.4° | 120.0° |
| C8 | C10 | C11 | C12 | 109.8° | 100.0° |
| C8 | C10 | C11 | C16 | 70.5° | 80.3° |
| C8 | C10 | O17 | H17 | 180.0° | 60.0° |
| H8 | C8 | C9 | H9A | 63.8° | 60.1° |
| H8 | C8 | C9 | H9B | 176.1° | 60.0° |
| H8 | C8 | C9 | H9C | 56.1° | 180.0° |
| H8 | C8 | C10 | C11 | 71.3° | 54.9° |
| H8 | C8 | C10 | O17 | 51.6° | 175.0° |
| H8 | C8 | C10 | H10 | 170.0° | 65.0° |
| H9A | C9 | H9B | H9C | 119.9° | 120.0° |
| C11 | C10 | O17 | H10 | 118.7° | 119.9° |
| C10 | C11 | C12 | C16 | 179.7° | 179.8° |
| C10 | C11 | C12 | C13 | 179.7° | 180.0° |
| C10 | C11 | C12 | H12 | 0.3° | 0.0° |
| C10 | C11 | C16 | C15 | 179.7° | 179.8° |
| C10 | C11 | C16 | H16 | 0.4° | 0.0° |
| C11 | C10 | O17 | H17 | 56.1° | 60.0° |
| O17 | C10 | C11 | C12 | 128.0° | 140.0° |
| O17 | C10 | C11 | C16 | 51.6° | 39.8° |
| H10 | C10 | C11 | C12 | 8.7° | 20.1° |
| H10 | C10 | C11 | C16 | 171.0° | 159.7° |
| H10 | C10 | O17 | H17 | 62.6° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C11 | C16 | C15 | 0.0° | 0.4° |
| C12 | C11 | C16 | H16 | 180.0° | 179.7° |
| C16 | C11 | C12 | C13 | 0.0° | 0.2° |
| C16 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.0° | 0.4° |
| C11 | C16 | C15 | H16 | 180.0° | 179.8° |
| C11 | C16 | C15 | H15 | 180.0° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| H13 | C13 | C14 | C15 | 180.0° | 180.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.9° | 179.8° |
| H14 | C14 | C15 | C16 | 180.0° | 179.9° |
| H14 | C14 | C15 | H15 | 0.0° | 0.1° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| H18A | C18 | H18B | H18C | 119.9° | 120.0° |
| C20 | C19 | N23 | H19 | 114.6° | 119.5° |
| C19 | C20 | C21 | H20A | 119.2° | 118.3° |
| C19 | C20 | C21 | H20B | 119.1° | 118.4° |
| C19 | C20 | H20A | H20B | 122.5° | 123.2° |
| C19 | C20 | C21 | C22 | 31.8° | 35.5° |
| C19 | C20 | C21 | H21A | 87.6° | 153.6° |
| C19 | C20 | C21 | H21B | 151.2° | 82.6° |
| C20 | C19 | N23 | C22 | 24.1° | 1.1° |
| C20 | C19 | N23 | C24 | 154.7° | 178.9° |
| N23 | C19 | C20 | C21 | 33.7° | 22.2° |
| N23 | C19 | C20 | H20A | 152.9° | 96.2° |
| N23 | C19 | C20 | H20B | 85.4° | 140.6° |
| C19 | N23 | C22 | C21 | 4.7° | 24.2° |
| C19 | N23 | C22 | C24 | 178.7° | 180.0° |
| C19 | N23 | C22 | H22A | 114.5° | 94.7° |
| C19 | N23 | C22 | H22B | 123.9° | 143.0° |
| C19 | N23 | C24 | O25 | 0.0° | 5.3° |
| C19 | N23 | C24 | C26 | 179.3° | 174.8° |
| H19 | C19 | C20 | C21 | 148.9° | 97.4° |
| H19 | C19 | C20 | H20A | 91.9° | 144.3° |
| H19 | C19 | C20 | H20B | 29.8° | 21.0° |
| H19 | C19 | N23 | C22 | 138.7° | 120.6° |
| H19 | C19 | N23 | C24 | 40.1° | 59.4° |
| C21 | C20 | H20A | H20B | 122.5° | 123.3° |
| C20 | C21 | C22 | H21A | 119.4° | 118.1° |
| C20 | C21 | C22 | H21B | 119.4° | 118.1° |
| C20 | C21 | H21A | H21B | 121.7° | 123.9° |
| C20 | C21 | C22 | N23 | 17.2° | 37.0° |
| C20 | C21 | C22 | H22A | 136.4° | 81.9° |
| C20 | C21 | C22 | H22B | 102.0° | 155.8° |
| H20A | C20 | C21 | C22 | 151.0° | 82.9° |
| H20A | C20 | C21 | H21A | 31.6° | 35.2° |
| H20A | C20 | C21 | H21B | 89.6° | 159.1° |
| H20B | C20 | C21 | C22 | 87.3° | 153.9° |
| H20B | C20 | C21 | H21A | 153.3° | 88.0° |
| H20B | C20 | C21 | H21B | 32.1° | 35.8° |
| C22 | C21 | H21A | H21B | 121.8° | 123.9° |
| C21 | C22 | N23 | H22A | 119.2° | 118.9° |
| C21 | C22 | N23 | H22B | 119.2° | 118.8° |
| C21 | C22 | H22A | H22B | 122.3° | 122.3° |
| C21 | C22 | N23 | C24 | 174.0° | 155.9° |
| H21A | C21 | C22 | N23 | 102.2° | 155.1° |
| H21A | C21 | C22 | H22A | 17.0° | 36.2° |
| H21A | C21 | C22 | H22B | 138.6° | 86.1° |
| H21B | C21 | C22 | N23 | 136.5° | 81.1° |
| H21B | C21 | C22 | H22A | 104.2° | 160.1° |
| H21B | C21 | C22 | H22B | 17.4° | 37.7° |
| N23 | C22 | H22A | H22B | 122.3° | 122.3° |
| C22 | N23 | C24 | O25 | 178.6° | 174.7° |
| C22 | N23 | C24 | C26 | 2.1° | 5.3° |
| H22A | C22 | N23 | C24 | 66.8° | 85.3° |
| H22B | C22 | N23 | C24 | 54.8° | 37.0° |
| N23 | C24 | O25 | C26 | 179.3° | 180.0° |
| N23 | C24 | C26 | C27 | 82.2° | 178.4° |
| N23 | C24 | C26 | H26A | 156.5° | 58.3° |
| N23 | C24 | C26 | H26B | 39.1° | 61.6° |
| O25 | C24 | C26 | C27 | 98.5° | 1.6° |
| O25 | C24 | C26 | H26A | 22.8° | 121.6° |
| O25 | C24 | C26 | H26B | 140.2° | 118.4° |
| C24 | C26 | C27 | H26A | 121.3° | 120.0° |
| C24 | C26 | C27 | H26B | 121.3° | 120.0° |
| C24 | C26 | H26A | H26B | 115.8° | 120.0° |
| C24 | C26 | C27 | C28 | 168.9° | 66.4° |
| C24 | C26 | C27 | O82 | 73.2° | 53.6° |
| C24 | C26 | C27 | H27 | 46.6° | 173.6° |
| C27 | C26 | H26A | H26B | 115.8° | 120.0° |
| C26 | C27 | C28 | O82 | 116.0° | 120.0° |
| C26 | C27 | C28 | H27 | 122.5° | 120.0° |
| C26 | C27 | O82 | H27 | 118.8° | 120.1° |
| C26 | C27 | C28 | C29 | 173.4° | 177.9° |
| C26 | C27 | C28 | N33 | 44.1° | 62.1° |
| C26 | C27 | C28 | H28 | 70.9° | 57.9° |
| C26 | C27 | O82 | C83 | 98.6° | 84.9° |
| H26A | C26 | C27 | C28 | 69.9° | 53.6° |
| H26A | C26 | C27 | O82 | 48.1° | 173.6° |
| H26A | C26 | C27 | H27 | 167.9° | 66.4° |
| H26B | C26 | C27 | C28 | 47.6° | 173.6° |
| H26B | C26 | C27 | O82 | 165.5° | 66.4° |
| H26B | C26 | C27 | H27 | 74.6° | 53.6° |
| C28 | C27 | O82 | H27 | 120.2° | 120.0° |
| C27 | C28 | C29 | N33 | 128.5° | 120.0° |
| C27 | C28 | C29 | H28 | 115.6° | 120.0° |
| C27 | C28 | N33 | H28 | 114.5° | 120.0° |
| C27 | C28 | C29 | C30 | 57.0° | 52.6° |
| C27 | C28 | C29 | C31 | 176.5° | 67.3° |
| C27 | C28 | C29 | H29 | 60.6° | 172.7° |
| C27 | C28 | N33 | C34 | 65.6° | 53.4° |
| C27 | C28 | N33 | C35 | 117.7° | 126.6° |
| C28 | C27 | O82 | C83 | 140.4° | 155.1° |
| O82 | C27 | C28 | C29 | 70.6° | 57.9° |
| O82 | C27 | C28 | N33 | 160.2° | 177.9° |
| O82 | C27 | C28 | H28 | 45.1° | 62.1° |
| C27 | O82 | C83 | H83A | 180.0° | 175.0° |
| C27 | O82 | C83 | H83B | 60.0° | 65.0° |
| C27 | O82 | C83 | H83C | 60.0° | 55.0° |
| H27 | C27 | C28 | C29 | 50.8° | 62.1° |
| H27 | C27 | C28 | N33 | 78.4° | 57.9° |
| H27 | C27 | C28 | H28 | 166.5° | 177.9° |
| H27 | C27 | O82 | C83 | 20.2° | 35.1° |
| C29 | C28 | N33 | H28 | 115.6° | 120.0° |
| C28 | C29 | C30 | C31 | 127.0° | 119.9° |
| C28 | C29 | C30 | H29 | 117.5° | 120.1° |
| C28 | C29 | C31 | H29 | 115.8° | 120.0° |
| C28 | C29 | C30 | H30A | 180.0° | 51.6° |
| C28 | C29 | C30 | H30B | 60.0° | 171.6° |
| C28 | C29 | C30 | H30C | 60.0° | 68.5° |
| C28 | C29 | C31 | C32 | 147.9° | 62.2° |
| C28 | C29 | C31 | H31A | 91.2° | 177.8° |
| C28 | C29 | C31 | H31B | 27.1° | 57.8° |
| C29 | C28 | N33 | C34 | 64.3° | 66.7° |
| C29 | C28 | N33 | C35 | 112.4° | 113.3° |
| N33 | C28 | C29 | C30 | 174.5° | 67.4° |
| N33 | C28 | C29 | C31 | 48.1° | 172.7° |
| N33 | C28 | C29 | H29 | 67.9° | 52.7° |
| C28 | N33 | C34 | C35 | 176.5° | 180.0° |
| C28 | N33 | C34 | H34A | 180.0° | 94.3° |
| C28 | N33 | C34 | H34B | 60.0° | 145.6° |
| C28 | N33 | C34 | H34C | 60.0° | 25.7° |
| C28 | N33 | C35 | O36 | 11.0° | 5.1° |
| C28 | N33 | C35 | C37 | 170.8° | 174.9° |
| H28 | C28 | C29 | C30 | 58.5° | 172.7° |
| H28 | C28 | C29 | C31 | 67.9° | 52.7° |
| H28 | C28 | C29 | H29 | 176.1° | 67.3° |
| H28 | C28 | N33 | C34 | 179.9° | 173.4° |
| H28 | C28 | N33 | C35 | 3.2° | 6.6° |
| C30 | C29 | C31 | H29 | 115.6° | 120.0° |
| C29 | C30 | H30A | H30B | 120.0° | 120.0° |
| C29 | C30 | H30A | H30C | 120.0° | 120.0° |
| C29 | C30 | H30B | H30C | 120.0° | 119.9° |
| C30 | C29 | C31 | C32 | 83.5° | 177.8° |
| C30 | C29 | C31 | H31A | 37.4° | 57.9° |
| C30 | C29 | C31 | H31B | 155.7° | 62.2° |
| C31 | C29 | C30 | H30A | 53.0° | 68.4° |
| C31 | C29 | C30 | H30B | 173.0° | 51.7° |
| C31 | C29 | C30 | H30C | 67.0° | 171.6° |
| C29 | C31 | C32 | H31A | 120.9° | 120.0° |
| C29 | C31 | C32 | H31B | 120.9° | 120.0° |
| C29 | C31 | H31A | H31B | 117.4° | 120.1° |
| C29 | C31 | C32 | H32A | 180.0° | 174.5° |
| C29 | C31 | C32 | H32B | 60.0° | 65.5° |
| C29 | C31 | C32 | H32C | 60.0° | 54.5° |
| H29 | C29 | C30 | H30A | 62.5° | 171.6° |
| H29 | C29 | C30 | H30B | 57.4° | 68.3° |
| H29 | C29 | C30 | H30C | 177.4° | 51.6° |
| H29 | C29 | C31 | C32 | 32.1° | 57.8° |
| H29 | C29 | C31 | H31A | 152.9° | 62.1° |
| H29 | C29 | C31 | H31B | 88.8° | 177.8° |
| H30A | C30 | H30B | H30C | 120.0° | 120.0° |
| C32 | C31 | H31A | H31B | 117.4° | 120.0° |
| C31 | C32 | H32A | H32B | 120.0° | 120.0° |
| C31 | C32 | H32A | H32C | 120.0° | 120.0° |
| C31 | C32 | H32B | H32C | 120.0° | 120.1° |
| H31A | C31 | C32 | H32A | 59.1° | 54.5° |
| H31A | C31 | C32 | H32B | 179.2° | 174.5° |
| H31A | C31 | C32 | H32C | 60.9° | 65.4° |
| H31B | C31 | C32 | H32A | 59.1° | 65.5° |
| H31B | C31 | C32 | H32B | 60.9° | 54.5° |
| H31B | C31 | C32 | H32C | 179.1° | 174.5° |
| H32A | C32 | H32B | H32C | 120.0° | 120.0° |
| N33 | C34 | H34A | H34B | 120.0° | 120.0° |
| N33 | C34 | H34A | H34C | 120.0° | 119.9° |
| N33 | C34 | H34B | H34C | 120.0° | 119.9° |
| C34 | N33 | C35 | O36 | 165.5° | 174.9° |
| C34 | N33 | C35 | C37 | 12.7° | 5.1° |
| C35 | N33 | C34 | H34A | 3.5° | 85.7° |
| C35 | N33 | C34 | H34B | 123.5° | 34.3° |
| C35 | N33 | C34 | H34C | 116.5° | 154.3° |
| N33 | C35 | O36 | C37 | 178.2° | 180.0° |
| N33 | C35 | C37 | C38 | 83.0° | 100.9° |
| N33 | C35 | C37 | N41 | 150.8° | 139.1° |
| N33 | C35 | C37 | H37 | 33.7° | 19.2° |
| H34A | C34 | H34B | H34C | 120.0° | 120.0° |
| O36 | C35 | C37 | C38 | 98.8° | 79.1° |
| O36 | C35 | C37 | N41 | 27.5° | 40.9° |
| O36 | C35 | C37 | H37 | 144.6° | 160.8° |
| C35 | C37 | C38 | N41 | 125.1° | 120.0° |
| C35 | C37 | C38 | H37 | 116.7° | 120.0° |
| C35 | C37 | N41 | H37 | 116.5° | 119.9° |
| C35 | C37 | C38 | C39 | 56.6° | 54.4° |
| C35 | C37 | C38 | C40 | 178.2° | 65.6° |
| C35 | C37 | C38 | H38 | 61.3° | 174.4° |
| C35 | C37 | N41 | C42 | 93.5° | 155.0° |
| C35 | C37 | N41 | H41 | 86.5° | 25.1° |
| C38 | C37 | N41 | H37 | 117.6° | 120.0° |
| C37 | C38 | C39 | C40 | 125.9° | 120.0° |
| C37 | C38 | C39 | H38 | 117.7° | 120.0° |
| C37 | C38 | C40 | H38 | 116.7° | 120.0° |
| C37 | C38 | C39 | H39A | 180.0° | 60.0° |
| C37 | C38 | C39 | H39B | 60.0° | 180.0° |
| C37 | C38 | C39 | H39C | 60.0° | 60.0° |
| C37 | C38 | C40 | H40A | 180.0° | 61.8° |
| C37 | C38 | C40 | H40B | 60.0° | 58.2° |
| C37 | C38 | C40 | H40C | 60.0° | 178.2° |
| C38 | C37 | N41 | C42 | 140.6° | 85.0° |
| C38 | C37 | N41 | H41 | 39.4° | 95.0° |
| N41 | C37 | C38 | C39 | 68.5° | 65.6° |
| N41 | C37 | C38 | C40 | 56.7° | 174.4° |
| N41 | C37 | C38 | H38 | 173.6° | 54.4° |
| C37 | N41 | C42 | H41 | 180.0° | 179.9° |
| C37 | N41 | C42 | O43 | 6.3° | 5.0° |
| C37 | N41 | C42 | C44 | 174.8° | 175.0° |
| H37 | C37 | C38 | C39 | 173.3° | 174.5° |
| H37 | C37 | C38 | C40 | 61.5° | 54.4° |
| H37 | C37 | C38 | H38 | 55.4° | 65.5° |
| H37 | C37 | N41 | C42 | 23.0° | 35.0° |
| H37 | C37 | N41 | H41 | 157.0° | 145.0° |
| C39 | C38 | C40 | H38 | 116.4° | 120.0° |
| C38 | C39 | H39A | H39B | 120.0° | 120.0° |
| C38 | C39 | H39A | H39C | 120.0° | 120.0° |
| C38 | C39 | H39B | H39C | 120.0° | 120.0° |
| C39 | C38 | C40 | H40A | 53.2° | 58.3° |
| C39 | C38 | C40 | H40B | 173.2° | 178.2° |
| C39 | C38 | C40 | H40C | 66.9° | 61.8° |
| C40 | C38 | C39 | H39A | 54.1° | 60.0° |
| C40 | C38 | C39 | H39B | 65.9° | 60.0° |
| C40 | C38 | C39 | H39C | 174.2° | 180.0° |
| C38 | C40 | H40A | H40B | 120.0° | 120.0° |
| C38 | C40 | H40A | H40C | 120.0° | 120.1° |
| C38 | C40 | H40B | H40C | 120.0° | 120.0° |
| H38 | C38 | C39 | H39A | 62.3° | 180.0° |
| H38 | C38 | C39 | H39B | 177.7° | 60.0° |
| H38 | C38 | C39 | H39C | 57.8° | 60.0° |
| H38 | C38 | C40 | H40A | 63.2° | 178.2° |
| H38 | C38 | C40 | H40B | 56.8° | 61.8° |
| H38 | C38 | C40 | H40C | 176.7° | 58.2° |
| H39A | C39 | H39B | H39C | 120.0° | 120.0° |
| H40A | C40 | H40B | H40C | 120.0° | 120.0° |
| N41 | C42 | O43 | C44 | 178.8° | 179.9° |
| N41 | C42 | C44 | C45 | 65.8° | 77.0° |
| N41 | C42 | C44 | N48 | 64.5° | 163.1° |
| N41 | C42 | C44 | H44 | 179.2° | 43.0° |
| H41 | N41 | C42 | O43 | 173.7° | 174.9° |
| H41 | N41 | C42 | C44 | 5.1° | 5.0° |
| O43 | C42 | C44 | C45 | 115.3° | 103.1° |
| O43 | C42 | C44 | N48 | 114.3° | 16.9° |
| O43 | C42 | C44 | H44 | 0.3° | 136.9° |
| C42 | C44 | C45 | N48 | 128.2° | 120.0° |
| C42 | C44 | C45 | H44 | 115.1° | 120.0° |
| C42 | C44 | N48 | H44 | 114.2° | 120.0° |
| C42 | C44 | C45 | C46 | 171.4° | 56.4° |
| C42 | C44 | C45 | C47 | 48.5° | 176.4° |
| C42 | C44 | C45 | H45 | 69.9° | 63.6° |
| C42 | C44 | N48 | C49 | 90.9° | 120.0° |
| C42 | C44 | N48 | C81 | 88.0° | 60.0° |
| C45 | C44 | N48 | H44 | 116.3° | 120.0° |
| C44 | C45 | C46 | C47 | 123.4° | 120.0° |
| C44 | C45 | C46 | H45 | 118.4° | 120.0° |
| C44 | C45 | C47 | H45 | 118.1° | 120.1° |
| C44 | C45 | C46 | H46A | 180.0° | 54.1° |
| C44 | C45 | C46 | H46B | 60.0° | 174.2° |
| C44 | C45 | C46 | H46C | 60.0° | 65.8° |
| C44 | C45 | C47 | H47A | 180.0° | 60.0° |
| C44 | C45 | C47 | H47B | 60.0° | 180.0° |
| C44 | C45 | C47 | H47C | 60.0° | 59.9° |
| C45 | C44 | N48 | C49 | 38.6° | 120.0° |
| C45 | C44 | N48 | C81 | 142.4° | 60.0° |
| N48 | C44 | C45 | C46 | 60.4° | 176.4° |
| N48 | C44 | C45 | C47 | 176.7° | 63.6° |
| N48 | C44 | C45 | H45 | 58.3° | 56.4° |
| C44 | N48 | C49 | C81 | 178.9° | 180.0° |
| C44 | N48 | C49 | O50 | 154.8° | 0.0° |
| C44 | N48 | C49 | O51 | 23.3° | 180.0° |
| C44 | N48 | C81 | H81A | 180.0° | 90.0° |
| C44 | N48 | C81 | H81B | 60.0° | 150.0° |
| C44 | N48 | C81 | H81C | 60.0° | 30.0° |
| H44 | C44 | C45 | C46 | 56.4° | 63.6° |
| H44 | C44 | C45 | C47 | 66.6° | 56.4° |
| H44 | C44 | C45 | H45 | 175.0° | 176.5° |
| H44 | C44 | N48 | C49 | 154.9° | 0.0° |
| H44 | C44 | N48 | C81 | 26.2° | 180.0° |
| C46 | C45 | C47 | H45 | 118.2° | 119.9° |
| C45 | C46 | H46A | H46B | 120.0° | 120.0° |
| C45 | C46 | H46A | H46C | 120.0° | 119.9° |
| C45 | C46 | H46B | H46C | 120.0° | 120.0° |
| C46 | C45 | C47 | H47A | 56.3° | 180.0° |
| C46 | C45 | C47 | H47B | 176.3° | 60.0° |
| C46 | C45 | C47 | H47C | 63.7° | 60.1° |
| C47 | C45 | C46 | H46A | 56.6° | 65.9° |
| C47 | C45 | C46 | H46B | 63.4° | 54.1° |
| C47 | C45 | C46 | H46C | 176.6° | 174.1° |
| C45 | C47 | H47A | H47B | 120.0° | 120.0° |
| C45 | C47 | H47A | H47C | 120.0° | 119.9° |
| C45 | C47 | H47B | H47C | 120.0° | 120.0° |
| H45 | C45 | C46 | H46A | 61.6° | 174.1° |
| H45 | C45 | C46 | H46B | 178.4° | 65.8° |
| H45 | C45 | C46 | H46C | 58.4° | 54.2° |
| H45 | C45 | C47 | H47A | 61.8° | 60.1° |
| H45 | C45 | C47 | H47B | 58.1° | 59.9° |
| H45 | C45 | C47 | H47C | 178.1° | 180.0° |
| H46A | C46 | H46B | H46C | 120.0° | 120.0° |
| H47A | C47 | H47B | H47C | 120.0° | 120.0° |
| N48 | C49 | O50 | O51 | 177.8° | 180.0° |
| N48 | C49 | O51 | C52 | 177.5° | 180.0° |
| C49 | N48 | C81 | H81A | 1.0° | 90.0° |
| C49 | N48 | C81 | H81B | 121.0° | 30.0° |
| C49 | N48 | C81 | H81C | 119.0° | 150.0° |
| C81 | N48 | C49 | O50 | 26.3° | 180.0° |
| C81 | N48 | C49 | O51 | 155.6° | 0.0° |
| N48 | C81 | H81A | H81B | 120.0° | 120.0° |
| N48 | C81 | H81A | H81C | 120.0° | 119.9° |
| N48 | C81 | H81B | H81C | 119.9° | 119.9° |
| O50 | C49 | O51 | C52 | 0.5° | 0.0° |
| C49 | O51 | C52 | C53 | 68.4° | 180.0° |
| C49 | O51 | C52 | H52A | 171.1° | 60.0° |
| C49 | O51 | C52 | H52B | 52.0° | 60.1° |
| O51 | C52 | C53 | H52A | 120.4° | 120.1° |
| O51 | C52 | C53 | H52B | 120.5° | 120.0° |
| O51 | C52 | H52A | H52B | 118.6° | 120.0° |
| O51 | C52 | C53 | C54 | 41.8° | 90.0° |
| O51 | C52 | C53 | C80 | 138.7° | 90.3° |
| C53 | C52 | H52A | H52B | 118.6° | 119.9° |
| C52 | C53 | C54 | C80 | 179.6° | 179.7° |
| C52 | C53 | C54 | C55 | 179.5° | 180.0° |
| C52 | C53 | C54 | H54 | 0.5° | 0.0° |
| C52 | C53 | C80 | C79 | 179.4° | 179.7° |
| C52 | C53 | C80 | H80 | 0.6° | 0.1° |
| H52A | C52 | C53 | C54 | 78.7° | 30.1° |
| H52A | C52 | C53 | C80 | 100.9° | 149.7° |
| H52B | C52 | C53 | C54 | 162.2° | 150.0° |
| H52B | C52 | C53 | C80 | 18.2° | 29.7° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.0° | 0.0° |
| C53 | C54 | C55 | H55 | 180.0° | 180.0° |
| C54 | C53 | C80 | C79 | 0.1° | 0.5° |
| C54 | C53 | C80 | H80 | 179.8° | 179.8° |
| C80 | C53 | C54 | C55 | 0.1° | 0.3° |
| C80 | C53 | C54 | H54 | 179.9° | 179.7° |
| C53 | C80 | C79 | C56 | 0.1° | 0.6° |
| C53 | C80 | C79 | H80 | 180.0° | 179.7° |
| C53 | C80 | C79 | H79 | 179.9° | 179.7° |
| C54 | C55 | C56 | H55 | 180.0° | 180.0° |
| C54 | C55 | C56 | N57 | 177.7° | 180.0° |
| C54 | C55 | C56 | C79 | 0.0° | 0.0° |
| H54 | C54 | C55 | C56 | 180.0° | 180.0° |
| H54 | C54 | C55 | H55 | 0.0° | 0.0° |
| C55 | C56 | N57 | C79 | 177.6° | 180.0° |
| C55 | C56 | N57 | C58 | 160.0° | 35.3° |
| C55 | C56 | N57 | H57 | 20.0° | 144.7° |
| C55 | C56 | C79 | C80 | 0.1° | 0.3° |
| C55 | C56 | C79 | H79 | 179.9° | 180.0° |
| H55 | C55 | C56 | N57 | 2.3° | 0.1° |
| H55 | C55 | C56 | C79 | 180.0° | 180.0° |
| C56 | N57 | C58 | H57 | 180.0° | 180.0° |
| C56 | N57 | C58 | O59 | 4.1° | 4.7° |
| C56 | N57 | C58 | C60 | 177.7° | 175.3° |
| N57 | C56 | C79 | C80 | 177.7° | 179.7° |
| N57 | C56 | C79 | H79 | 2.4° | 0.0° |
| C79 | C56 | N57 | C58 | 22.4° | 144.7° |
| C79 | C56 | N57 | H57 | 157.6° | 35.3° |
| C56 | C79 | C80 | H79 | 180.0° | 179.7° |
| C56 | C79 | C80 | H80 | 179.9° | 179.8° |
| N57 | C58 | O59 | C60 | 178.2° | 180.0° |
| N57 | C58 | C60 | C61 | 85.3° | 60.0° |
| N57 | C58 | C60 | N62 | 152.3° | 180.0° |
| N57 | C58 | C60 | H60 | 32.5° | 60.0° |
| H57 | N57 | C58 | O59 | 176.0° | 175.3° |
| H57 | N57 | C58 | C60 | 2.3° | 4.7° |
| O59 | C58 | C60 | C61 | 93.0° | 120.0° |
| O59 | C58 | C60 | N62 | 29.4° | 0.0° |
| O59 | C58 | C60 | H60 | 149.2° | 120.0° |
| C58 | C60 | C61 | N62 | 122.9° | 120.0° |
| C58 | C60 | C61 | H60 | 117.8° | 120.0° |
| C58 | C60 | N62 | H60 | 119.3° | 120.0° |
| C58 | C60 | C61 | H61A | 180.0° | 60.0° |
| C58 | C60 | C61 | H61B | 60.0° | 180.0° |
| C58 | C60 | C61 | H61C | 60.0° | 60.0° |
| C58 | C60 | N62 | C63 | 153.7° | 155.0° |
| C58 | C60 | N62 | H62 | 26.3° | 24.9° |
| C61 | C60 | N62 | H60 | 118.8° | 120.0° |
| C60 | C61 | H61A | H61B | 120.0° | 120.0° |
| C60 | C61 | H61A | H61C | 120.0° | 120.0° |
| C60 | C61 | H61B | H61C | 120.0° | 120.0° |
| C61 | C60 | N62 | C63 | 84.4° | 85.0° |
| C61 | C60 | N62 | H62 | 95.6° | 95.1° |
| N62 | C60 | C61 | H61A | 57.2° | 180.0° |
| N62 | C60 | C61 | H61B | 62.9° | 60.0° |
| N62 | C60 | C61 | H61C | 177.1° | 60.0° |
| C60 | N62 | C63 | H62 | 180.0° | 179.9° |
| C60 | N62 | C63 | O64 | 0.9° | 0.0° |
| C60 | N62 | C63 | C65 | 179.5° | 180.0° |
| H60 | C60 | C61 | H61A | 62.2° | 60.0° |
| H60 | C60 | C61 | H61B | 177.8° | 60.0° |
| H60 | C60 | C61 | H61C | 57.8° | 179.9° |
| H60 | C60 | N62 | C63 | 34.3° | 35.0° |
| H60 | C60 | N62 | H62 | 145.6° | 144.9° |
| H61A | C61 | H61B | H61C | 120.0° | 120.0° |
| N62 | C63 | O64 | C65 | 179.6° | 180.0° |
| N62 | C63 | C65 | C66 | 156.8° | 60.0° |
| N62 | C63 | C65 | N67 | 81.3° | 180.0° |
| N62 | C63 | C65 | H65 | 38.4° | 60.0° |
| H62 | N62 | C63 | O64 | 179.2° | 180.0° |
| H62 | N62 | C63 | C65 | 0.5° | 0.0° |
| O64 | C63 | C65 | C66 | 23.6° | 120.0° |
| O64 | C63 | C65 | N67 | 98.3° | 0.0° |
| O64 | C63 | C65 | H65 | 142.0° | 120.0° |
| C63 | C65 | C66 | N67 | 122.0° | 120.0° |
| C63 | C65 | C66 | H65 | 118.3° | 120.0° |
| C63 | C65 | N67 | H65 | 119.2° | 120.0° |
| C63 | C65 | C66 | H66A | 180.0° | 60.0° |
| C63 | C65 | C66 | H66B | 60.0° | 180.0° |
| C63 | C65 | C66 | H66C | 60.0° | 60.0° |
| C63 | C65 | N67 | C68 | 151.9° | 155.0° |
| C63 | C65 | N67 | H67 | 28.1° | 25.1° |
| C66 | C65 | N67 | H65 | 119.1° | 120.0° |
| C65 | C66 | H66A | H66B | 120.0° | 119.9° |
| C65 | C66 | H66A | H66C | 120.0° | 120.0° |
| C65 | C66 | H66B | H66C | 120.0° | 120.0° |
| C66 | C65 | N67 | C68 | 86.3° | 85.0° |
| C66 | C65 | N67 | H67 | 93.7° | 94.9° |
| N67 | C65 | C66 | H66A | 58.0° | 180.0° |
| N67 | C65 | C66 | H66B | 62.0° | 60.0° |
| N67 | C65 | C66 | H66C | 178.0° | 60.0° |
| C65 | N67 | C68 | H67 | 180.0° | 179.9° |
| C65 | N67 | C68 | O69 | 1.2° | 0.0° |
| C65 | N67 | C68 | C70 | 179.5° | 179.9° |
| H65 | C65 | C66 | H66A | 61.6° | 60.0° |
| H65 | C65 | C66 | H66B | 178.4° | 60.0° |
| H65 | C65 | C66 | H66C | 58.4° | 180.0° |
| H65 | C65 | N67 | C68 | 32.7° | 35.0° |
| H65 | C65 | N67 | H67 | 147.3° | 145.1° |
| H66A | C66 | H66B | H66C | 120.0° | 120.0° |
| N67 | C68 | O69 | C70 | 179.2° | 180.0° |
| N67 | C68 | C70 | C71 | 156.8° | 180.0° |
| N67 | C68 | C70 | H70A | 36.3° | 60.0° |
| N67 | C68 | C70 | H70B | 82.8° | 60.0° |
| H67 | N67 | C68 | O69 | 178.8° | 179.9° |
| H67 | N67 | C68 | C70 | 0.4° | 0.0° |
| O69 | C68 | C70 | C71 | 24.0° | 0.1° |
| O69 | C68 | C70 | H70A | 144.5° | 120.1° |
| O69 | C68 | C70 | H70B | 96.5° | 120.0° |
| C68 | C70 | C71 | H70A | 120.5° | 120.0° |
| C68 | C70 | C71 | H70B | 120.5° | 120.0° |
| C68 | C70 | H70A | H70B | 118.6° | 120.0° |
| C68 | C70 | C71 | N72 | 61.8° | 180.0° |
| C68 | C70 | C71 | H71A | 177.8° | 60.0° |
| C68 | C70 | C71 | H71B | 58.6° | 59.9° |
| C71 | C70 | H70A | H70B | 118.5° | 120.0° |
| C70 | C71 | N72 | H71A | 120.4° | 120.0° |
| C70 | C71 | N72 | H71B | 120.4° | 120.0° |
| C70 | C71 | H71A | H71B | 118.8° | 119.9° |
| C70 | C71 | N72 | C73 | 76.0° | 90.0° |
| C70 | C71 | N72 | C77 | 104.3° | 90.3° |
| H70A | C70 | C71 | N72 | 58.7° | 60.0° |
| H70A | C70 | C71 | H71A | 61.7° | 180.0° |
| H70A | C70 | C71 | H71B | 179.1° | 60.0° |
| H70B | C70 | C71 | N72 | 177.7° | 60.0° |
| H70B | C70 | C71 | H71A | 57.3° | 60.0° |
| H70B | C70 | C71 | H71B | 61.9° | 179.9° |
| N72 | C71 | H71A | H71B | 118.8° | 120.1° |
| C71 | N72 | C73 | C77 | 179.7° | 179.7° |
| C71 | N72 | C73 | O74 | 0.9° | 0.0° |
| C71 | N72 | C73 | C75 | 179.6° | 180.0° |
| C71 | N72 | C77 | C76 | 179.6° | 179.9° |
| C71 | N72 | C77 | O78 | 0.7° | 0.0° |
| H71A | C71 | N72 | C73 | 44.4° | 29.9° |
| H71A | C71 | N72 | C77 | 135.3° | 149.7° |
| H71B | C71 | N72 | C73 | 163.6° | 150.0° |
| H71B | C71 | N72 | C77 | 16.1° | 29.7° |
| N72 | C73 | O74 | C75 | 179.5° | 180.0° |
| N72 | C73 | C75 | H751 | 118.9° | 118.6° |
| N72 | C73 | C75 | C76 | 0.4° | 0.1° |
| C73 | N72 | C77 | C76 | 0.7° | 0.4° |
| C73 | N72 | C77 | O78 | 179.0° | 179.7° |
| N72 | C73 | C75 | H1 | 119.7° | 118.7° |
| C77 | N72 | C73 | O74 | 178.8° | 179.7° |
| C77 | N72 | C73 | C75 | 0.7° | 0.3° |
| N72 | C77 | C76 | C75 | 0.4° | 0.3° |
| N72 | C77 | C76 | H761 | 119.0° | 118.8° |
| N72 | C77 | C76 | O78 | 179.7° | 179.9° |
| N72 | C77 | C76 | H2 | 119.8° | 118.3° |
| O74 | C73 | C75 | H751 | 61.5° | 61.4° |
| O74 | C73 | C75 | C76 | 179.1° | 179.9° |
| O74 | C73 | C75 | H1 | 59.8° | 61.3° |
| C73 | C75 | H751 | C76 | 116.2° | 114.1° |
| C73 | C75 | H751 | H1 | 121.9° | 122.8° |
| C73 | C75 | C76 | H1 | 119.3° | 118.6° |
| C73 | C75 | C76 | H761 | 119.4° | 118.5° |
| C73 | C75 | C76 | C77 | 0.0° | 0.2° |
| C73 | C75 | C76 | H2 | 119.4° | 118.7° |
| H751 | C75 | C76 | H1 | 121.3° | 122.9° |
| H751 | C75 | C76 | H761 | 0.0° | 0.0° |
| H751 | C75 | C76 | C77 | 119.4° | 118.3° |
| H751 | C75 | C76 | H2 | 121.3° | 122.8° |
| C75 | C76 | H761 | C77 | 116.2° | 114.0° |
| C75 | C76 | H761 | H2 | 121.9° | 122.8° |
| C75 | C76 | C77 | H2 | 119.4° | 118.6° |
| C75 | C76 | C77 | O78 | 179.3° | 179.8° |
| H761 | C76 | C77 | H2 | 121.3° | 122.9° |
| H761 | C76 | C77 | O78 | 61.3° | 61.3° |
| H761 | C76 | C75 | H1 | 121.3° | 122.9° |
| C77 | C76 | C75 | H1 | 119.3° | 118.8° |
| O78 | C77 | C76 | H2 | 59.9° | 61.6° |
| H79 | C79 | C80 | H80 | 0.1° | 0.0° |
| H81A | C81 | H81B | H81C | 120.0° | 120.1° |
| O82 | C83 | H83A | H83B | 120.0° | 120.0° |
| O82 | C83 | H83A | H83C | 120.0° | 120.1° |
| O82 | C83 | H83B | H83C | 120.0° | 120.0° |
| H83A | C83 | H83B | H83C | 120.0° | 120.0° |
| H1 | C75 | C76 | H2 | 0.0° | 0.0° |
