H8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O57 | C56 | sing | 1.36Å | 1.36Å | |
| C55 | C56 | doub | 1.39Å | 1.39Å | Aromatic |
| C55 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C56 | C51 | sing | 1.40Å | 1.39Å | Aromatic |
| C54 | C53 | doub | 1.39Å | 1.39Å | Aromatic |
| C51 | C50 | sing | 1.48Å | 1.50Å | |
| C51 | N52 | doub | 1.33Å | 1.35Å | Aromatic |
| C53 | N52 | sing | 1.31Å | 1.34Å | Aromatic |
| C44 | C43 | sing | 1.52Å | 1.53Å | |
| N48 | C50 | sing | 1.35Å | 1.35Å | |
| N48 | C45 | sing | 1.47Å | 1.47Å | |
| C50 | O58 | doub | 1.22Å | 1.22Å | |
| C45 | C43 | sing | 1.52Å | 1.53Å | |
| C45 | C46 | sing | 1.50Å | 1.50Å | |
| C43 | O41 | sing | 1.43Å | 1.43Å | |
| O47 | C46 | doub | 1.21Å | 1.22Å | |
| O42 | C34 | doub | 1.21Å | 1.22Å | |
| C46 | N49 | sing | 1.37Å | 1.33Å | |
| O41 | C34 | sing | 1.33Å | 1.46Å | |
| C34 | C33 | sing | 1.52Å | 1.51Å | |
| N49 | C59 | sing | 1.49Å | 1.46Å | |
| O32 | C30 | doub | 1.22Å | 1.22Å | |
| C60 | C59 | sing | 1.53Å | 1.54Å | |
| C60 | C61 | sing | 1.53Å | 1.52Å | |
| C59 | C62 | sing | 1.50Å | 1.50Å | |
| C33 | N31 | sing | 1.47Å | 1.46Å | |
| C33 | C35 | sing | 1.51Å | 1.49Å | |
| O19 | C16 | doub | 1.21Å | 1.22Å | |
| C30 | N31 | sing | 1.36Å | 1.33Å | |
| C30 | C18 | sing | 1.50Å | 1.51Å | |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C35 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C27 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| C18 | N13 | sing | 1.48Å | 1.49Å | |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | O64 | doub | 1.22Å | 1.22Å | |
| C62 | N63 | sing | 1.35Å | 1.34Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C27 | N29 | sing | 1.47Å | 1.47Å | |
| C11 | N10 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C28 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N63 | C68 | sing | 1.46Å | 1.46Å | |
| N63 | C65 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| S21 | C22 | sing | 1.81Å | 1.76Å | |
| S21 | C20 | sing | 1.81Å | 1.76Å | |
| N13 | C14 | sing | 1.46Å | 1.47Å | |
| N13 | C1 | sing | 1.34Å | 1.35Å | |
| C68 | C67 | sing | 1.54Å | 1.52Å | |
| N10 | C7 | sing | 1.40Å | 1.41Å | |
| N10 | C12 | sing | 1.46Å | 1.46Å | |
| C22 | C26 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | N29 | sing | 1.47Å | 1.48Å | |
| N29 | C26 | sing | 1.47Å | 1.47Å | |
| C65 | C69 | sing | 1.50Å | 1.50Å | |
| C65 | C66 | sing | 1.54Å | 1.52Å | |
| C2 | C1 | sing | 1.49Å | 1.52Å | |
| C2 | C3 | sing | 1.52Å | 1.54Å | |
| C2 | N71 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | O1 | doub | 1.24Å | 1.22Å | |
| C67 | C66 | sing | 1.53Å | 1.51Å | |
| C69 | O70 | doub | 1.22Å | 1.22Å | |
| C69 | N71 | sing | 1.35Å | 1.33Å | |
| N71 | C72 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.12Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.08Å | 1.10Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H39 | sing | 1.08Å | 1.08Å | |
| C43 | H40 | sing | 1.12Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H44 | sing | 1.10Å | 1.10Å | |
| C53 | H45 | sing | 1.08Å | 1.08Å | |
| C54 | H46 | sing | 1.08Å | 1.08Å | |
| C55 | H47 | sing | 1.08Å | 1.08Å | |
| C59 | H48 | sing | 1.09Å | 1.10Å | |
| C60 | H49 | sing | 1.09Å | 1.10Å | |
| C60 | H50 | sing | 1.09Å | 1.10Å | |
| C61 | H51 | sing | 1.09Å | 1.10Å | |
| C61 | H52 | sing | 1.09Å | 1.10Å | |
| C61 | H53 | sing | 1.09Å | 1.10Å | |
| C65 | H54 | sing | 1.09Å | 1.10Å | |
| C66 | H55 | sing | 1.09Å | 1.10Å | |
| C66 | H56 | sing | 1.09Å | 1.10Å | |
| C67 | H57 | sing | 1.09Å | 1.10Å | |
| C67 | H58 | sing | 1.09Å | 1.10Å | |
| C68 | H59 | sing | 1.08Å | 1.10Å | |
| C68 | H60 | sing | 1.09Å | 1.10Å | |
| C72 | H61 | sing | 1.09Å | 1.10Å | |
| C72 | H62 | sing | 1.09Å | 1.10Å | |
| C72 | H63 | sing | 1.09Å | 1.10Å | |
| N31 | H65 | sing | 0.98Å | 1.00Å | |
| N48 | H66 | sing | 0.97Å | 1.00Å | |
| N49 | H67 | sing | 0.97Å | 1.00Å | |
| O57 | H68 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O57 | C56 | C55 | 121.1° | 120.6° |
| O57 | C56 | C51 | 119.5° | 120.5° |
| C56 | O57 | H68 | 109.5° | 114.0° |
| C56 | C55 | C54 | 119.1° | 118.5° |
| C55 | C56 | C51 | 119.4° | 118.9° |
| C56 | C55 | H47 | 120.4° | 120.7° |
| C55 | C54 | C53 | 119.5° | 119.4° |
| C55 | C54 | H46 | 120.3° | 120.4° |
| C54 | C55 | H47 | 120.5° | 120.8° |
| C56 | C51 | C50 | 120.7° | 119.8° |
| C56 | C51 | N52 | 120.3° | 120.4° |
| C54 | C53 | N52 | 120.4° | 121.1° |
| C54 | C53 | H45 | 119.8° | 119.4° |
| C53 | C54 | H46 | 120.2° | 120.3° |
| C50 | C51 | N52 | 119.0° | 119.8° |
| C51 | C50 | N48 | 119.1° | 120.0° |
| C51 | C50 | O58 | 115.0° | 120.0° |
| C51 | N52 | C53 | 121.4° | 121.7° |
| N52 | C53 | H45 | 119.8° | 119.5° |
| C44 | C43 | C45 | 110.9° | 112.5° |
| C44 | C43 | O41 | 110.1° | 112.9° |
| C44 | C43 | H40 | 109.2° | 105.8° |
| C43 | C44 | H41 | 109.5° | 109.4° |
| C43 | C44 | H42 | 109.5° | 109.5° |
| C43 | C44 | H43 | 109.5° | 109.5° |
| C50 | N48 | C45 | 129.3° | 120.0° |
| N48 | C50 | O58 | 125.9° | 120.0° |
| C50 | N48 | H66 | 115.4° | 120.0° |
| N48 | C45 | C43 | 118.0° | 108.7° |
| N48 | C45 | C46 | 111.8° | 109.7° |
| N48 | C45 | H44 | 107.1° | 107.2° |
| C45 | N48 | H66 | 115.3° | 120.0° |
| C43 | C45 | C46 | 106.1° | 114.2° |
| C45 | C43 | O41 | 106.8° | 112.9° |
| C45 | C43 | H40 | 109.2° | 105.8° |
| C43 | C45 | H44 | 106.4° | 108.6° |
| C45 | C46 | O47 | 119.7° | 122.9° |
| C45 | C46 | N49 | 118.0° | 118.6° |
| C46 | C45 | H44 | 106.7° | 108.2° |
| C43 | O41 | C34 | 115.5° | 125.5° |
| O41 | C43 | H40 | 110.6° | 106.2° |
| O47 | C46 | N49 | 122.3° | 118.6° |
| O42 | C34 | O41 | 119.3° | 123.0° |
| O42 | C34 | C33 | 118.5° | 118.2° |
| C46 | N49 | C59 | 121.0° | 115.6° |
| C46 | N49 | H67 | 119.5° | 123.6° |
| O41 | C34 | C33 | 122.2° | 118.7° |
| C34 | C33 | N31 | 115.0° | 108.3° |
| C34 | C33 | C35 | 113.1° | 108.3° |
| C34 | C33 | H34 | 105.8° | 109.1° |
| N49 | C59 | C60 | 110.8° | 107.7° |
| N49 | C59 | C62 | 111.2° | 108.9° |
| N49 | C59 | H48 | 107.8° | 109.4° |
| C59 | N49 | H67 | 119.5° | 120.8° |
| O32 | C30 | N31 | 121.8° | 119.0° |
| O32 | C30 | C18 | 120.5° | 119.7° |
| C59 | C60 | C61 | 116.3° | 109.4° |
| C60 | C59 | C62 | 112.8° | 111.1° |
| C60 | C59 | H48 | 106.8° | 109.6° |
| C59 | C60 | H49 | 107.7° | 109.5° |
| C59 | C60 | H50 | 107.7° | 109.5° |
| C61 | C60 | H49 | 107.8° | 109.5° |
| C61 | C60 | H50 | 107.7° | 109.5° |
| C60 | C61 | H51 | 109.5° | 109.4° |
| C60 | C61 | H52 | 109.4° | 109.5° |
| C60 | C61 | H53 | 109.5° | 109.5° |
| C59 | C62 | O64 | 119.4° | 119.0° |
| C59 | C62 | N63 | 117.2° | 122.0° |
| C62 | C59 | H48 | 107.2° | 110.1° |
| N31 | C33 | C35 | 109.8° | 109.8° |
| C33 | N31 | C30 | 121.3° | 118.8° |
| N31 | C33 | H34 | 106.4° | 111.1° |
| C33 | N31 | H65 | 119.4° | 120.8° |
| C33 | C35 | C36 | 125.6° | 120.0° |
| C33 | C35 | C40 | 115.7° | 120.0° |
| C35 | C33 | H34 | 105.9° | 110.2° |
| O19 | C16 | C17 | 121.4° | 120.4° |
| O19 | C16 | C15 | 121.5° | 120.7° |
| N31 | C30 | C18 | 117.6° | 121.4° |
| C30 | N31 | H65 | 119.3° | 120.3° |
| C30 | C18 | C17 | 108.7° | 109.5° |
| C30 | C18 | N13 | 115.4° | 108.9° |
| C30 | C18 | H19 | 109.1° | 111.6° |
| C35 | C36 | C37 | 120.0° | 120.0° |
| C36 | C35 | C40 | 118.6° | 120.0° |
| C35 | C36 | H35 | 120.0° | 120.1° |
| C36 | C37 | C38 | 120.6° | 120.0° |
| C37 | C36 | H35 | 120.0° | 120.0° |
| C36 | C37 | H36 | 119.7° | 120.0° |
| C16 | C17 | C18 | 109.1° | 109.8° |
| C17 | C16 | C15 | 117.1° | 118.9° |
| C16 | C17 | H17 | 109.6° | 109.7° |
| C16 | C17 | H18 | 109.5° | 109.0° |
| C17 | C18 | N13 | 105.2° | 108.8° |
| C18 | C17 | H17 | 109.6° | 109.7° |
| C18 | C17 | H18 | 109.6° | 109.2° |
| C17 | C18 | H19 | 108.9° | 108.7° |
| C35 | C40 | C39 | 121.2° | 120.0° |
| C35 | C40 | H39 | 119.4° | 120.0° |
| C23 | C24 | C27 | 108.9° | 108.9° |
| C24 | C23 | C25 | 107.0° | 108.6° |
| C24 | C23 | C22 | 111.8° | 108.6° |
| C24 | C23 | H23 | 110.0° | 110.8° |
| C23 | C24 | H24 | 109.6° | 109.6° |
| C23 | C24 | H25 | 109.6° | 109.6° |
| C24 | C27 | N29 | 109.8° | 109.4° |
| C27 | C24 | H24 | 109.6° | 109.6° |
| C27 | C24 | H25 | 109.6° | 109.6° |
| C24 | C27 | H30 | 109.4° | 109.5° |
| C24 | C27 | H31 | 109.4° | 109.5° |
| C16 | C15 | C14 | 109.0° | 109.0° |
| C16 | C15 | C20 | 108.2° | 109.6° |
| C16 | C15 | H16 | 109.6° | 109.3° |
| C18 | N13 | C14 | 113.6° | 116.9° |
| C18 | N13 | C1 | 125.7° | 117.6° |
| N13 | C18 | H19 | 109.4° | 109.3° |
| C37 | C38 | C39 | 119.5° | 120.0° |
| C38 | C37 | H36 | 119.7° | 120.0° |
| C37 | C38 | H37 | 120.2° | 120.0° |
| O64 | C62 | N63 | 123.3° | 119.0° |
| C62 | N63 | C68 | 126.7° | 127.0° |
| C62 | N63 | C65 | 121.0° | 124.4° |
| C25 | C23 | C22 | 108.0° | 108.6° |
| C23 | C25 | C28 | 108.0° | 108.9° |
| C25 | C23 | H23 | 110.1° | 110.1° |
| C23 | C25 | H26 | 109.8° | 109.6° |
| C23 | C25 | H27 | 109.8° | 109.6° |
| C23 | C22 | S21 | 111.3° | 109.6° |
| C23 | C22 | C26 | 109.0° | 108.9° |
| C23 | C22 | H22 | 109.9° | 109.6° |
| C22 | C23 | H23 | 110.0° | 110.1° |
| C27 | N29 | C28 | 110.5° | 110.9° |
| C27 | N29 | C26 | 109.6° | 111.1° |
| N29 | C27 | H30 | 109.4° | 109.5° |
| N29 | C27 | H31 | 109.4° | 109.5° |
| C11 | N10 | C7 | 121.8° | 120.0° |
| C11 | N10 | C12 | 119.4° | 120.0° |
| N10 | C11 | H8 | 109.5° | 109.5° |
| N10 | C11 | H9 | 109.5° | 109.5° |
| N10 | C11 | H10 | 109.5° | 109.4° |
| C5 | C6 | C7 | 120.5° | 120.0° |
| C6 | C5 | C4 | 120.2° | 120.1° |
| C6 | C5 | H4 | 119.9° | 120.0° |
| C5 | C6 | H5 | 119.7° | 120.0° |
| C6 | C7 | N10 | 121.2° | 120.1° |
| C6 | C7 | C8 | 119.1° | 119.8° |
| C7 | C6 | H5 | 119.7° | 120.0° |
| C40 | C39 | C38 | 120.1° | 120.0° |
| C40 | C39 | H38 | 120.0° | 120.0° |
| C39 | C40 | H39 | 119.4° | 120.0° |
| C25 | C28 | N29 | 110.5° | 109.3° |
| C28 | C25 | H26 | 109.8° | 109.6° |
| C28 | C25 | H27 | 109.8° | 109.6° |
| C25 | C28 | H32 | 109.2° | 109.5° |
| C25 | C28 | H33 | 109.2° | 109.5° |
| C5 | C4 | C3 | 121.2° | 119.9° |
| C5 | C4 | C9 | 119.4° | 120.1° |
| C4 | C5 | H4 | 119.9° | 119.9° |
| C68 | N63 | C65 | 112.2° | 108.5° |
| N63 | C68 | C67 | 105.1° | 108.0° |
| N63 | C68 | H59 | 110.6° | 110.7° |
| N63 | C68 | H60 | 110.6° | 110.3° |
| N63 | C65 | C69 | 113.4° | 110.8° |
| N63 | C65 | C66 | 105.2° | 107.7° |
| N63 | C65 | H54 | 110.0° | 108.3° |
| C14 | C15 | C20 | 111.8° | 110.1° |
| C15 | C14 | N13 | 108.5° | 108.8° |
| C15 | C14 | H14 | 109.7° | 108.0° |
| C15 | C14 | H15 | 109.7° | 110.4° |
| C14 | C15 | H16 | 109.1° | 109.4° |
| C15 | C20 | S21 | 108.9° | 109.5° |
| C20 | C15 | H16 | 109.1° | 109.4° |
| C15 | C20 | H20 | 109.6° | 109.5° |
| C15 | C20 | H21 | 109.6° | 109.5° |
| C39 | C38 | H37 | 120.3° | 120.0° |
| C38 | C39 | H38 | 119.9° | 120.0° |
| C22 | S21 | C20 | 109.0° | 103.0° |
| S21 | C22 | C26 | 109.7° | 109.6° |
| S21 | C22 | H22 | 107.0° | 109.6° |
| S21 | C20 | H20 | 109.6° | 109.4° |
| S21 | C20 | H21 | 109.6° | 109.5° |
| C14 | N13 | C1 | 120.7° | 125.5° |
| N13 | C14 | H14 | 109.7° | 108.2° |
| N13 | C14 | H15 | 109.7° | 113.3° |
| N13 | C1 | C2 | 124.1° | 129.9° |
| N13 | C1 | O1 | 118.1° | 114.9° |
| C68 | C67 | C66 | 106.0° | 105.4° |
| C68 | C67 | H57 | 110.3° | 110.4° |
| C68 | C67 | H58 | 110.3° | 109.9° |
| C67 | C68 | H59 | 110.6° | 109.9° |
| C67 | C68 | H60 | 110.6° | 107.8° |
| C7 | N10 | C12 | 118.8° | 120.0° |
| N10 | C7 | C8 | 119.6° | 120.1° |
| N10 | C12 | H11 | 109.5° | 109.5° |
| N10 | C12 | H12 | 109.5° | 109.5° |
| N10 | C12 | H13 | 109.5° | 109.5° |
| C22 | C26 | N29 | 109.3° | 109.4° |
| C26 | C22 | H22 | 109.8° | 109.6° |
| C22 | C26 | H28 | 109.5° | 109.5° |
| C22 | C26 | H29 | 109.5° | 109.5° |
| C7 | C8 | C9 | 120.3° | 119.9° |
| C7 | C8 | H6 | 119.8° | 120.1° |
| C28 | N29 | C26 | 110.0° | 111.1° |
| N29 | C28 | H32 | 109.2° | 109.5° |
| N29 | C28 | H33 | 109.2° | 109.5° |
| N29 | C26 | H28 | 109.5° | 109.5° |
| N29 | C26 | H29 | 109.5° | 109.5° |
| C69 | C65 | C66 | 109.4° | 108.9° |
| C65 | C69 | O70 | 120.3° | 117.3° |
| C65 | C69 | N71 | 117.0° | 125.3° |
| C69 | C65 | H54 | 109.5° | 112.0° |
| C65 | C66 | C67 | 106.7° | 106.4° |
| C66 | C65 | H54 | 109.2° | 109.0° |
| C65 | C66 | H55 | 110.2° | 110.2° |
| C65 | C66 | H56 | 110.2° | 109.7° |
| C1 | C2 | C3 | 111.5° | 113.3° |
| C1 | C2 | N71 | 114.6° | 114.4° |
| C2 | C1 | O1 | 117.8° | 115.1° |
| C1 | C2 | H1 | 108.7° | 106.2° |
| C3 | C2 | N71 | 104.0° | 110.6° |
| C2 | C3 | C4 | 113.0° | 109.5° |
| C3 | C2 | H1 | 108.5° | 106.0° |
| C2 | C3 | H2 | 108.6° | 109.4° |
| C2 | C3 | H3 | 108.6° | 109.4° |
| C2 | N71 | C69 | 117.6° | 117.2° |
| C2 | N71 | C72 | 120.7° | 121.2° |
| N71 | C2 | H1 | 109.3° | 105.5° |
| C3 | C4 | C9 | 119.5° | 119.9° |
| C4 | C3 | H2 | 108.6° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C4 | C9 | C8 | 120.5° | 120.1° |
| C4 | C9 | H7 | 119.8° | 119.9° |
| C67 | C66 | H55 | 110.1° | 110.3° |
| C67 | C66 | H56 | 110.2° | 110.1° |
| C66 | C67 | H57 | 110.3° | 110.7° |
| C66 | C67 | H58 | 110.3° | 110.1° |
| O70 | C69 | N71 | 122.8° | 117.3° |
| C69 | N71 | C72 | 121.7° | 121.6° |
| N71 | C72 | H61 | 109.5° | 109.5° |
| N71 | C72 | H62 | 109.5° | 109.5° |
| N71 | C72 | H63 | 109.5° | 109.5° |
| C9 | C8 | H6 | 119.8° | 120.0° |
| C8 | C9 | H7 | 119.8° | 120.0° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.4° | 109.5° |
| H8 | C11 | H10 | 109.4° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.4° |
| H14 | C14 | H15 | 109.5° | 108.0° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.7° |
| H26 | C25 | H27 | 109.5° | 109.7° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.5° | 109.6° |
| H41 | C44 | H42 | 109.5° | 109.4° |
| H41 | C44 | H43 | 109.5° | 109.4° |
| H42 | C44 | H43 | 109.5° | 109.5° |
| H49 | C60 | H50 | 109.5° | 109.5° |
| H51 | C61 | H52 | 109.5° | 109.5° |
| H51 | C61 | H53 | 109.4° | 109.5° |
| H52 | C61 | H53 | 109.5° | 109.5° |
| H55 | C66 | H56 | 109.5° | 110.1° |
| H57 | C67 | H58 | 109.5° | 110.3° |
| H59 | C68 | H60 | 109.4° | 110.0° |
| H61 | C72 | H62 | 109.5° | 109.4° |
| H61 | C72 | H63 | 109.5° | 109.5° |
| H62 | C72 | H63 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O57 | C56 | C55 | C51 | 179.2° | 180.0° |
| O57 | C56 | C55 | C54 | 179.9° | 180.0° |
| O57 | C56 | C51 | C50 | 1.3° | 0.1° |
| O57 | C56 | C51 | N52 | 179.6° | 179.8° |
| O57 | C56 | C55 | H47 | 0.1° | 0.1° |
| C56 | C55 | C54 | H47 | 180.0° | 180.0° |
| C56 | C55 | C54 | C53 | 0.0° | 0.3° |
| C55 | C56 | C51 | C50 | 179.6° | 180.0° |
| C55 | C56 | C51 | N52 | 1.2° | 0.3° |
| C56 | C55 | C54 | H46 | 180.0° | 180.0° |
| C55 | C56 | O57 | H68 | 180.0° | 89.9° |
| C54 | C55 | C56 | C51 | 0.7° | 0.0° |
| C55 | C54 | C53 | H46 | 180.0° | 179.8° |
| C55 | C54 | C53 | N52 | 0.3° | 0.3° |
| C55 | C54 | C53 | H45 | 179.7° | 179.7° |
| C56 | C51 | C50 | N52 | 178.4° | 179.7° |
| C56 | C51 | N52 | C53 | 0.9° | 0.3° |
| C56 | C51 | C50 | N48 | 50.7° | 179.7° |
| C56 | C51 | C50 | O58 | 128.3° | 0.3° |
| C51 | C56 | C55 | H47 | 179.3° | 180.0° |
| C51 | C56 | O57 | H68 | 0.8° | 90.0° |
| C54 | C53 | N52 | C51 | 0.1° | 0.0° |
| C54 | C53 | N52 | H45 | 180.0° | 180.0° |
| C53 | C54 | C55 | H47 | 180.0° | 179.7° |
| C50 | C51 | N52 | C53 | 179.3° | 180.0° |
| C51 | C50 | N48 | O58 | 178.9° | 180.0° |
| C51 | C50 | N48 | C45 | 174.9° | 180.0° |
| C51 | C50 | N48 | H66 | 5.1° | 0.0° |
| N52 | C51 | C50 | N48 | 130.9° | 0.0° |
| N52 | C51 | C50 | O58 | 50.1° | 180.0° |
| C51 | N52 | C53 | H45 | 179.9° | 180.0° |
| N52 | C53 | C54 | H46 | 179.7° | 180.0° |
| C44 | C43 | C45 | N48 | 74.5° | 179.4° |
| C44 | C43 | C45 | O41 | 119.9° | 129.3° |
| C44 | C43 | C45 | H40 | 120.4° | 115.0° |
| C44 | C43 | C45 | C46 | 159.1° | 57.7° |
| C44 | C43 | O41 | H40 | 120.8° | 115.4° |
| C44 | C43 | O41 | C34 | 56.4° | 51.4° |
| C43 | C44 | H41 | H42 | 120.0° | 120.0° |
| C43 | C44 | H41 | H43 | 120.0° | 120.0° |
| C43 | C44 | H42 | H43 | 120.0° | 120.1° |
| C44 | C43 | C45 | H44 | 45.7° | 63.1° |
| C50 | N48 | C45 | H66 | 180.0° | 179.9° |
| C50 | N48 | C45 | C43 | 3.8° | 155.0° |
| C50 | N48 | C45 | C46 | 127.3° | 79.4° |
| C50 | N48 | C45 | H44 | 116.1° | 37.8° |
| C45 | N48 | C50 | O58 | 4.0° | 0.0° |
| N48 | C45 | C43 | C46 | 126.4° | 122.9° |
| N48 | C45 | C43 | H44 | 120.2° | 116.3° |
| N48 | C45 | C46 | H44 | 116.8° | 116.6° |
| N48 | C45 | C43 | O41 | 165.5° | 51.3° |
| N48 | C45 | C46 | O47 | 127.0° | 157.3° |
| N48 | C45 | C46 | N49 | 54.8° | 23.4° |
| N48 | C45 | C43 | H40 | 45.8° | 64.4° |
| O58 | C50 | N48 | H66 | 176.0° | 179.9° |
| C43 | C45 | C46 | H44 | 113.2° | 121.1° |
| C45 | C43 | O41 | H40 | 118.8° | 115.5° |
| C43 | C45 | C46 | O47 | 102.9° | 35.0° |
| C43 | C45 | C46 | N49 | 75.2° | 145.7° |
| C45 | C43 | O41 | C34 | 176.8° | 77.7° |
| C45 | C43 | C44 | H41 | 180.0° | 69.2° |
| C45 | C43 | C44 | H42 | 60.0° | 50.7° |
| C45 | C43 | C44 | H43 | 60.0° | 170.8° |
| C43 | C45 | N48 | H66 | 176.2° | 24.9° |
| C46 | C45 | C43 | O41 | 39.1° | 71.6° |
| C45 | C46 | O47 | N49 | 178.1° | 179.3° |
| C45 | C46 | N49 | C59 | 173.8° | 168.6° |
| C46 | C45 | C43 | H40 | 80.5° | 172.7° |
| C46 | C45 | N48 | H66 | 52.7° | 100.6° |
| C45 | C46 | N49 | H67 | 6.3° | 10.9° |
| C43 | O41 | C34 | O42 | 80.3° | 6.3° |
| C43 | O41 | C34 | C33 | 101.1° | 174.3° |
| O41 | C43 | C44 | H41 | 62.0° | 60.1° |
| O41 | C43 | C44 | H42 | 58.0° | 180.0° |
| O41 | C43 | C44 | H43 | 178.0° | 59.9° |
| O41 | C43 | C45 | H44 | 74.3° | 167.6° |
| O47 | C46 | N49 | C59 | 4.4° | 10.7° |
| O47 | C46 | C45 | H44 | 10.3° | 86.1° |
| O47 | C46 | N49 | H67 | 175.6° | 169.8° |
| O42 | C34 | O41 | C33 | 178.6° | 179.5° |
| O42 | C34 | C33 | N31 | 123.8° | 56.4° |
| O42 | C34 | C33 | C35 | 108.9° | 175.5° |
| O42 | C34 | C33 | H34 | 6.7° | 64.6° |
| C46 | N49 | C59 | H67 | 180.0° | 179.6° |
| C46 | N49 | C59 | C60 | 73.6° | 144.5° |
| C46 | N49 | C59 | C62 | 160.2° | 94.9° |
| N49 | C46 | C45 | H44 | 171.6° | 93.2° |
| C46 | N49 | C59 | H48 | 43.0° | 25.5° |
| O41 | C34 | C33 | N31 | 57.6° | 124.1° |
| O41 | C34 | C33 | C35 | 69.8° | 5.0° |
| O41 | C34 | C33 | H34 | 174.7° | 114.9° |
| C34 | O41 | C43 | H40 | 64.5° | 166.8° |
| C34 | C33 | N31 | C35 | 129.0° | 118.1° |
| C34 | C33 | N31 | H34 | 116.7° | 119.8° |
| C34 | C33 | C35 | H34 | 115.4° | 119.3° |
| C34 | C33 | N31 | C30 | 60.9° | 150.6° |
| C34 | C33 | C35 | C36 | 19.9° | 77.8° |
| C34 | C33 | C35 | C40 | 159.5° | 101.9° |
| C34 | C33 | N31 | H65 | 119.1° | 29.9° |
| N49 | C59 | C60 | C62 | 125.4° | 119.2° |
| N49 | C59 | C60 | H48 | 117.1° | 119.0° |
| N49 | C59 | C60 | C61 | 116.1° | 65.0° |
| N49 | C59 | C62 | H48 | 117.6° | 119.9° |
| N49 | C59 | C62 | O64 | 43.6° | 5.6° |
| N49 | C59 | C62 | N63 | 137.6° | 174.8° |
| N49 | C59 | C60 | H49 | 4.8° | 175.0° |
| N49 | C59 | C60 | H50 | 122.9° | 55.0° |
| O32 | C30 | N31 | C33 | 9.3° | 179.9° |
| O32 | C30 | N31 | C18 | 176.4° | 179.8° |
| O32 | C30 | C18 | C17 | 11.0° | 45.2° |
| O32 | C30 | C18 | N13 | 128.8° | 73.7° |
| O32 | C30 | C18 | H19 | 107.6° | 165.6° |
| O32 | C30 | N31 | H65 | 170.7° | 0.4° |
| C59 | C60 | C61 | H49 | 121.0° | 120.0° |
| C59 | C60 | C61 | H50 | 121.0° | 120.0° |
| C60 | C59 | C62 | H48 | 117.2° | 121.6° |
| C60 | C59 | C62 | O64 | 81.6° | 112.9° |
| C60 | C59 | C62 | N63 | 97.2° | 66.7° |
| C59 | C60 | H49 | H50 | 116.9° | 120.0° |
| C59 | C60 | C61 | H51 | 180.0° | 180.0° |
| C59 | C60 | C61 | H52 | 60.0° | 60.0° |
| C59 | C60 | C61 | H53 | 60.0° | 60.0° |
| C60 | C59 | N49 | H67 | 106.4° | 35.0° |
| C61 | C60 | C59 | C62 | 9.3° | 175.9° |
| C61 | C60 | C59 | H48 | 126.7° | 54.0° |
| C61 | C60 | H49 | H50 | 116.9° | 120.0° |
| C60 | C61 | H51 | H52 | 120.0° | 120.0° |
| C60 | C61 | H51 | H53 | 120.0° | 120.0° |
| C60 | C61 | H52 | H53 | 120.0° | 120.0° |
| C59 | C62 | O64 | N63 | 178.7° | 179.6° |
| C59 | C62 | N63 | C68 | 49.7° | 27.0° |
| C59 | C62 | N63 | C65 | 129.9° | 151.0° |
| C62 | C59 | C60 | H49 | 130.3° | 55.9° |
| C62 | C59 | C60 | H50 | 111.7° | 64.1° |
| C62 | C59 | N49 | H67 | 19.9° | 85.6° |
| N31 | C33 | C35 | H34 | 114.5° | 122.6° |
| C33 | N31 | C30 | H65 | 180.0° | 179.4° |
| C33 | N31 | C30 | C18 | 167.1° | 0.1° |
| N31 | C33 | C35 | C36 | 110.2° | 40.3° |
| N31 | C33 | C35 | C40 | 70.4° | 140.0° |
| C35 | C33 | N31 | C30 | 170.0° | 91.2° |
| C33 | C35 | C36 | C40 | 179.4° | 179.7° |
| C33 | C35 | C36 | C37 | 179.6° | 179.9° |
| C33 | C35 | C40 | C39 | 179.7° | 179.8° |
| C33 | C35 | C36 | H35 | 0.4° | 0.0° |
| C33 | C35 | C40 | H39 | 0.3° | 0.1° |
| C35 | C33 | N31 | H65 | 10.0° | 88.2° |
| O19 | C16 | C17 | C15 | 180.0° | 179.8° |
| O19 | C16 | C17 | C18 | 126.1° | 126.2° |
| O19 | C16 | C15 | C14 | 130.2° | 137.5° |
| O19 | C16 | C15 | C20 | 108.0° | 16.9° |
| O19 | C16 | C15 | H16 | 10.9° | 103.0° |
| O19 | C16 | C17 | H17 | 113.9° | 5.6° |
| O19 | C16 | C17 | H18 | 6.2° | 114.2° |
| N31 | C30 | C18 | C17 | 165.4° | 134.6° |
| N31 | C30 | C18 | N13 | 47.7° | 106.6° |
| N31 | C30 | C18 | H19 | 76.0° | 14.1° |
| C30 | N31 | C33 | H34 | 55.8° | 30.9° |
| C30 | C18 | C17 | C16 | 67.1° | 124.0° |
| C30 | C18 | C17 | N13 | 124.1° | 118.9° |
| C30 | C18 | C17 | H19 | 118.7° | 122.2° |
| C30 | C18 | N13 | H19 | 123.4° | 122.2° |
| C30 | C18 | N13 | C14 | 53.1° | 65.6° |
| C30 | C18 | N13 | C1 | 129.7° | 115.6° |
| C30 | C18 | C17 | H17 | 173.0° | 115.3° |
| C30 | C18 | C17 | H18 | 52.9° | 4.6° |
| C18 | C30 | N31 | H65 | 12.9° | 179.3° |
| C35 | C36 | C37 | H35 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C36 | C35 | C40 | C39 | 0.3° | 0.5° |
| C36 | C35 | C33 | H34 | 135.3° | 163.0° |
| C35 | C36 | C37 | H36 | 179.9° | 179.9° |
| C36 | C35 | C40 | H39 | 179.7° | 179.7° |
| C37 | C36 | C35 | C40 | 0.2° | 0.3° |
| C36 | C37 | C38 | H36 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.0° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C16 | C17 | C18 | H17 | 119.9° | 120.7° |
| C16 | C17 | C18 | H18 | 119.9° | 119.4° |
| C16 | C17 | C18 | N13 | 57.0° | 5.1° |
| C17 | C16 | C15 | C14 | 49.8° | 42.4° |
| C17 | C16 | C15 | C20 | 71.9° | 162.9° |
| C17 | C16 | C15 | H16 | 169.2° | 77.2° |
| C16 | C17 | H17 | H18 | 120.2° | 119.5° |
| C16 | C17 | C18 | H19 | 174.2° | 113.8° |
| C18 | C17 | C16 | C15 | 53.9° | 53.6° |
| C17 | C18 | N13 | H19 | 116.8° | 118.5° |
| C17 | C18 | N13 | C14 | 66.6° | 53.7° |
| C17 | C18 | N13 | C1 | 110.5° | 125.1° |
| C18 | C17 | H17 | H18 | 120.2° | 119.8° |
| C35 | C40 | C39 | H39 | 180.0° | 179.8° |
| C35 | C40 | C39 | C38 | 0.2° | 0.4° |
| C40 | C35 | C33 | H34 | 44.1° | 17.4° |
| C40 | C35 | C36 | H35 | 179.8° | 179.7° |
| C35 | C40 | C39 | H38 | 179.9° | 179.7° |
| C23 | C24 | C27 | H24 | 119.9° | 119.8° |
| C23 | C24 | C27 | H25 | 119.9° | 119.8° |
| C24 | C23 | C25 | C22 | 120.4° | 117.9° |
| C24 | C23 | C25 | H23 | 119.5° | 121.5° |
| C24 | C23 | C22 | H23 | 122.5° | 121.5° |
| C23 | C24 | C27 | N29 | 1.8° | 0.1° |
| C24 | C23 | C25 | C28 | 65.0° | 58.9° |
| C24 | C23 | C22 | S21 | 69.7° | 61.0° |
| C24 | C23 | C22 | C26 | 51.5° | 58.9° |
| C24 | C23 | C22 | H22 | 171.9° | 178.8° |
| C23 | C24 | H24 | H25 | 120.2° | 120.3° |
| C24 | C23 | C25 | H26 | 175.3° | 178.7° |
| C24 | C23 | C25 | H27 | 54.8° | 60.9° |
| C23 | C24 | C27 | H30 | 118.3° | 119.9° |
| C23 | C24 | C27 | H31 | 121.8° | 120.1° |
| C27 | C24 | C23 | C25 | 60.0° | 58.9° |
| C27 | C24 | C23 | C22 | 57.9° | 59.0° |
| C24 | C27 | N29 | H30 | 120.1° | 120.0° |
| C24 | C27 | N29 | H31 | 120.1° | 120.0° |
| C24 | C27 | N29 | C28 | 61.1° | 62.1° |
| C24 | C27 | N29 | C26 | 60.4° | 61.9° |
| C27 | C24 | C23 | H23 | 179.6° | 180.0° |
| C27 | C24 | H24 | H25 | 120.3° | 120.3° |
| C24 | C27 | H30 | H31 | 119.9° | 120.1° |
| C16 | C15 | C14 | C20 | 119.6° | 120.2° |
| C16 | C15 | C14 | H16 | 119.6° | 119.4° |
| C16 | C15 | C20 | H16 | 119.2° | 119.8° |
| C16 | C15 | C20 | S21 | 44.3° | 65.2° |
| C16 | C15 | C14 | N13 | 51.2° | 14.4° |
| C16 | C15 | C14 | H14 | 68.6° | 102.8° |
| C16 | C15 | C14 | H15 | 171.1° | 139.3° |
| C15 | C16 | C17 | H17 | 66.1° | 174.2° |
| C15 | C16 | C17 | H18 | 173.8° | 66.0° |
| C16 | C15 | C20 | H20 | 75.6° | 54.8° |
| C16 | C15 | C20 | H21 | 164.2° | 174.8° |
| C18 | N13 | C14 | C15 | 64.3° | 65.4° |
| C18 | N13 | C14 | C1 | 177.3° | 178.7° |
| C18 | N13 | C1 | C2 | 35.6° | 163.4° |
| C18 | N13 | C1 | O1 | 145.5° | 17.6° |
| C18 | N13 | C14 | H14 | 55.5° | 51.7° |
| C18 | N13 | C14 | H15 | 175.8° | 171.4° |
| N13 | C18 | C17 | H17 | 62.9° | 125.8° |
| N13 | C18 | C17 | H18 | 176.9° | 114.3° |
| C37 | C38 | C39 | C40 | 0.0° | 0.1° |
| C37 | C38 | C39 | H37 | 180.0° | 180.0° |
| C38 | C37 | C36 | H35 | 179.9° | 180.0° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| O64 | C62 | N63 | C68 | 129.0° | 152.6° |
| O64 | C62 | N63 | C65 | 51.4° | 29.4° |
| O64 | C62 | C59 | H48 | 161.2° | 125.5° |
| C62 | N63 | C68 | C65 | 179.7° | 178.2° |
| C62 | N63 | C68 | C67 | 167.4° | 161.1° |
| C62 | N63 | C65 | C69 | 59.8° | 45.7° |
| C62 | N63 | C65 | C66 | 179.2° | 164.8° |
| N63 | C62 | C59 | H48 | 20.1° | 54.9° |
| C62 | N63 | C65 | H54 | 63.2° | 77.5° |
| C62 | N63 | C68 | H59 | 73.2° | 78.5° |
| C62 | N63 | C68 | H60 | 48.1° | 43.5° |
| C25 | C23 | C22 | H23 | 120.1° | 120.6° |
| C23 | C25 | C28 | H26 | 119.8° | 119.8° |
| C23 | C25 | C28 | H27 | 119.8° | 119.8° |
| C25 | C23 | C22 | S21 | 172.9° | 178.8° |
| C25 | C23 | C22 | C26 | 65.9° | 59.0° |
| C23 | C25 | C28 | N29 | 7.3° | 0.1° |
| C25 | C23 | C22 | H22 | 54.5° | 60.9° |
| C25 | C23 | C24 | H24 | 59.9° | 60.9° |
| C25 | C23 | C24 | H25 | 179.9° | 178.7° |
| C23 | C25 | H26 | H27 | 120.6° | 120.3° |
| C23 | C25 | C28 | H32 | 112.9° | 120.0° |
| C23 | C25 | C28 | H33 | 127.4° | 119.9° |
| C22 | C23 | C25 | C28 | 55.5° | 59.0° |
| C23 | C22 | S21 | C26 | 120.8° | 119.4° |
| C23 | C22 | S21 | H22 | 120.1° | 120.3° |
| C23 | C22 | S21 | C20 | 122.4° | 175.6° |
| C23 | C22 | C26 | H22 | 120.4° | 119.8° |
| C23 | C22 | C26 | N29 | 9.6° | 0.0° |
| C22 | C23 | C24 | H24 | 177.8° | 178.8° |
| C22 | C23 | C24 | H25 | 62.0° | 60.9° |
| C22 | C23 | C25 | H26 | 64.3° | 60.9° |
| C22 | C23 | C25 | H27 | 175.3° | 178.8° |
| C23 | C22 | C26 | H28 | 110.4° | 120.0° |
| C23 | C22 | C26 | H29 | 129.5° | 120.0° |
| C27 | N29 | C28 | C25 | 56.0° | 62.1° |
| C27 | N29 | C26 | C22 | 67.2° | 62.0° |
| C27 | N29 | C28 | C26 | 121.2° | 124.1° |
| N29 | C27 | C24 | H24 | 121.7° | 119.9° |
| N29 | C27 | C24 | H25 | 118.1° | 119.7° |
| C27 | N29 | C26 | H28 | 52.8° | 58.0° |
| C27 | N29 | C26 | H29 | 172.9° | 178.0° |
| N29 | C27 | H30 | H31 | 119.8° | 120.0° |
| C27 | N29 | C28 | H32 | 176.2° | 178.0° |
| C27 | N29 | C28 | H33 | 64.1° | 57.8° |
| C11 | N10 | C7 | C6 | 51.8° | 0.0° |
| C11 | N10 | C7 | C12 | 179.3° | 179.9° |
| C11 | N10 | C7 | C8 | 129.1° | 180.0° |
| N10 | C11 | H8 | H9 | 120.0° | 120.1° |
| N10 | C11 | H8 | H10 | 120.0° | 120.0° |
| N10 | C11 | H9 | H10 | 120.0° | 120.0° |
| C11 | N10 | C12 | H11 | 180.0° | 90.0° |
| C11 | N10 | C12 | H12 | 60.0° | 150.0° |
| C11 | N10 | C12 | H13 | 60.0° | 30.1° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.7° |
| C5 | C6 | C7 | N10 | 179.4° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C4 | C3 | 179.9° | 179.7° |
| C6 | C5 | C4 | C9 | 0.3° | 0.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | N10 | C8 | 179.0° | 180.0° |
| C6 | C7 | N10 | C12 | 128.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | C5 | H4 | 179.8° | 179.7° |
| C6 | C7 | C8 | H6 | 179.5° | 180.0° |
| C40 | C39 | C38 | H38 | 180.0° | 179.9° |
| C40 | C39 | C38 | H37 | 180.0° | 179.8° |
| C25 | C28 | N29 | H32 | 120.2° | 119.9° |
| C25 | C28 | N29 | H33 | 120.1° | 120.0° |
| C25 | C28 | N29 | C26 | 65.2° | 62.0° |
| C28 | C25 | C23 | H23 | 175.5° | 179.6° |
| C28 | C25 | H26 | H27 | 120.7° | 120.3° |
| C25 | C28 | H32 | H33 | 119.6° | 120.1° |
| C5 | C4 | C3 | C2 | 71.8° | 90.0° |
| C5 | C4 | C3 | C9 | 179.8° | 179.7° |
| C5 | C4 | C9 | C8 | 0.5° | 0.0° |
| C5 | C4 | C3 | H2 | 48.7° | 30.0° |
| C5 | C4 | C3 | H3 | 167.6° | 150.0° |
| C4 | C5 | C6 | H5 | 179.8° | 180.0° |
| C5 | C4 | C9 | H7 | 179.5° | 180.0° |
| N63 | C68 | C67 | H59 | 119.3° | 120.9° |
| N63 | C68 | C67 | H60 | 119.3° | 119.2° |
| C68 | N63 | C65 | C69 | 120.5° | 136.0° |
| C68 | N63 | C65 | C66 | 1.1° | 17.0° |
| N63 | C68 | C67 | C66 | 20.6° | 16.0° |
| C68 | N63 | C65 | H54 | 116.5° | 100.8° |
| N63 | C68 | C67 | H57 | 140.0° | 135.5° |
| N63 | C68 | C67 | H58 | 98.9° | 102.6° |
| N63 | C68 | H59 | H60 | 122.0° | 122.2° |
| C65 | N63 | C68 | C67 | 12.3° | 20.7° |
| N63 | C65 | C69 | C66 | 117.1° | 118.4° |
| N63 | C65 | C69 | H54 | 123.3° | 121.0° |
| N63 | C65 | C66 | H54 | 118.1° | 117.3° |
| N63 | C65 | C66 | C67 | 14.1° | 6.6° |
| N63 | C65 | C69 | O70 | 25.5° | 54.6° |
| N63 | C65 | C69 | N71 | 155.3° | 126.2° |
| N63 | C65 | C66 | H55 | 133.6° | 126.2° |
| N63 | C65 | C66 | H56 | 105.5° | 112.5° |
| C65 | N63 | C68 | H59 | 107.1° | 99.7° |
| C65 | N63 | C68 | H60 | 131.6° | 138.3° |
| C14 | C15 | C20 | H16 | 120.7° | 120.3° |
| C14 | C15 | C20 | S21 | 164.4° | 175.0° |
| C15 | C14 | N13 | H14 | 119.9° | 117.1° |
| C15 | C14 | N13 | H15 | 119.8° | 123.2° |
| C15 | C14 | N13 | C1 | 113.0° | 113.3° |
| C15 | C14 | H14 | H15 | 120.4° | 119.4° |
| C14 | C15 | C20 | H20 | 44.5° | 65.1° |
| C14 | C15 | C20 | H21 | 75.7° | 55.0° |
| C15 | C20 | S21 | C22 | 87.4° | 180.0° |
| C15 | C20 | S21 | H20 | 119.9° | 120.0° |
| C15 | C20 | S21 | H21 | 119.9° | 120.0° |
| C20 | C15 | C14 | N13 | 68.4° | 105.9° |
| C20 | C15 | C14 | H14 | 171.8° | 136.9° |
| C20 | C15 | C14 | H15 | 51.4° | 19.1° |
| C15 | C20 | H20 | H21 | 120.3° | 120.0° |
| C39 | C38 | C37 | H36 | 180.0° | 180.0° |
| C38 | C39 | C40 | H39 | 179.8° | 179.8° |
| S21 | C22 | C26 | H22 | 117.4° | 120.3° |
| S21 | C22 | C26 | N29 | 131.7° | 119.9° |
| C22 | S21 | C20 | H20 | 152.7° | 60.0° |
| C22 | S21 | C20 | H21 | 32.5° | 60.0° |
| S21 | C22 | C23 | H23 | 52.8° | 60.5° |
| S21 | C22 | C26 | H28 | 11.7° | 0.1° |
| S21 | C22 | C26 | H29 | 108.3° | 120.1° |
| C20 | S21 | C22 | C26 | 116.8° | 65.0° |
| S21 | C20 | C15 | H16 | 74.9° | 54.7° |
| S21 | C20 | H20 | H21 | 120.3° | 120.0° |
| C20 | S21 | C22 | H22 | 2.3° | 55.3° |
| C14 | N13 | C1 | C2 | 147.4° | 17.9° |
| C14 | N13 | C1 | O1 | 31.5° | 161.1° |
| N13 | C14 | H14 | H15 | 120.4° | 123.0° |
| N13 | C14 | C15 | H16 | 170.9° | 133.8° |
| C14 | N13 | C18 | H19 | 176.5° | 172.2° |
| N13 | C1 | C2 | O1 | 178.9° | 179.0° |
| N13 | C1 | C2 | C3 | 127.8° | 56.3° |
| N13 | C1 | C2 | N71 | 114.3° | 71.7° |
| N13 | C1 | C2 | H1 | 8.3° | 172.3° |
| C1 | N13 | C14 | H14 | 127.2° | 129.6° |
| C1 | N13 | C14 | H15 | 6.9° | 9.9° |
| C1 | N13 | C18 | H19 | 6.3° | 6.6° |
| C68 | C67 | C66 | C65 | 21.6° | 5.6° |
| C68 | C67 | C66 | H57 | 119.4° | 119.4° |
| C68 | C67 | C66 | H58 | 119.4° | 118.5° |
| C68 | C67 | C66 | H55 | 141.2° | 113.9° |
| C68 | C67 | C66 | H56 | 98.0° | 124.4° |
| C68 | C67 | H57 | H58 | 121.6° | 121.7° |
| C67 | C68 | H59 | H60 | 122.0° | 118.6° |
| N10 | C7 | C8 | C9 | 179.5° | 180.0° |
| N10 | C7 | C6 | H5 | 0.6° | 0.0° |
| N10 | C7 | C8 | H6 | 0.5° | 0.0° |
| C7 | N10 | C11 | H8 | 180.0° | 89.9° |
| C7 | N10 | C11 | H9 | 60.0° | 150.0° |
| C7 | N10 | C11 | H10 | 60.0° | 30.0° |
| C7 | N10 | C12 | H11 | 0.7° | 90.0° |
| C7 | N10 | C12 | H12 | 120.7° | 30.0° |
| C7 | N10 | C12 | H13 | 119.4° | 150.0° |
| C12 | N10 | C7 | C8 | 50.2° | 0.1° |
| C12 | N10 | C11 | H8 | 0.7° | 90.0° |
| C12 | N10 | C11 | H9 | 120.7° | 30.0° |
| C12 | N10 | C11 | H10 | 119.3° | 150.1° |
| N10 | C12 | H11 | H12 | 120.0° | 120.0° |
| N10 | C12 | H11 | H13 | 120.0° | 120.0° |
| N10 | C12 | H12 | H13 | 120.0° | 120.0° |
| C22 | C26 | N29 | C28 | 54.6° | 62.0° |
| C22 | C26 | N29 | H28 | 120.0° | 120.0° |
| C22 | C26 | N29 | H29 | 120.0° | 120.0° |
| C26 | C22 | C23 | H23 | 174.0° | 179.6° |
| C22 | C26 | H28 | H29 | 120.1° | 120.0° |
| C7 | C8 | C9 | C4 | 0.6° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C8 | C7 | C6 | H5 | 179.7° | 180.0° |
| C7 | C8 | C9 | H7 | 179.4° | 180.0° |
| N29 | C28 | C25 | H26 | 127.1° | 119.7° |
| N29 | C28 | C25 | H27 | 112.5° | 119.9° |
| C28 | N29 | C26 | H28 | 174.6° | 178.0° |
| C28 | N29 | C26 | H29 | 65.4° | 58.0° |
| C28 | N29 | C27 | H30 | 59.0° | 57.9° |
| C28 | N29 | C27 | H31 | 178.9° | 177.9° |
| N29 | C28 | H32 | H33 | 119.5° | 120.1° |
| N29 | C26 | C22 | H22 | 110.9° | 119.8° |
| N29 | C26 | H28 | H29 | 120.0° | 120.0° |
| C26 | N29 | C27 | H30 | 179.6° | 178.0° |
| C26 | N29 | C27 | H31 | 59.7° | 58.0° |
| C26 | N29 | C28 | H32 | 55.0° | 57.9° |
| C26 | N29 | C28 | H33 | 174.7° | 178.1° |
| C69 | C65 | C66 | H54 | 119.8° | 122.5° |
| C65 | C69 | N71 | C2 | 97.3° | 179.5° |
| C69 | C65 | C66 | C67 | 136.2° | 126.9° |
| C65 | C69 | O70 | N71 | 179.2° | 179.3° |
| C65 | C69 | N71 | C72 | 83.0° | 0.7° |
| C69 | C65 | C66 | H55 | 104.2° | 113.6° |
| C69 | C65 | C66 | H56 | 16.6° | 7.8° |
| C65 | C66 | C67 | H55 | 119.6° | 119.5° |
| C65 | C66 | C67 | H56 | 119.6° | 118.8° |
| C66 | C65 | C69 | O70 | 91.6° | 63.8° |
| C66 | C65 | C69 | N71 | 87.7° | 115.5° |
| C65 | C66 | H55 | H56 | 121.3° | 121.1° |
| C65 | C66 | C67 | H57 | 141.0° | 125.0° |
| C65 | C66 | C67 | H58 | 97.8° | 112.9° |
| C1 | C2 | C3 | N71 | 124.1° | 130.0° |
| C1 | C2 | C3 | H1 | 119.6° | 116.1° |
| C1 | C2 | N71 | H1 | 122.3° | 116.4° |
| C1 | C2 | C3 | C4 | 29.3° | 173.6° |
| C1 | C2 | N71 | C69 | 147.5° | 132.5° |
| C1 | C2 | N71 | C72 | 32.7° | 47.7° |
| C1 | C2 | C3 | H2 | 149.9° | 66.4° |
| C1 | C2 | C3 | H3 | 91.2° | 53.6° |
| C3 | C2 | N71 | H1 | 115.7° | 114.2° |
| C2 | C3 | C4 | H2 | 120.5° | 120.0° |
| C2 | C3 | C4 | H3 | 120.5° | 120.0° |
| C2 | C3 | C4 | C9 | 108.4° | 90.3° |
| C3 | C2 | C1 | O1 | 53.2° | 122.7° |
| C3 | C2 | N71 | C69 | 90.4° | 98.1° |
| C3 | C2 | N71 | C72 | 89.3° | 81.7° |
| C2 | C3 | H2 | H3 | 118.4° | 119.9° |
| N71 | C2 | C3 | C4 | 153.4° | 56.4° |
| N71 | C2 | C1 | O1 | 64.6° | 109.3° |
| C2 | N71 | C69 | O70 | 83.5° | 1.3° |
| C2 | N71 | C69 | C72 | 179.7° | 179.8° |
| N71 | C2 | C3 | H2 | 86.1° | 63.6° |
| N71 | C2 | C3 | H3 | 32.9° | 176.5° |
| C2 | N71 | C72 | H61 | 180.0° | 90.0° |
| C2 | N71 | C72 | H62 | 60.0° | 150.0° |
| C2 | N71 | C72 | H63 | 60.0° | 30.0° |
| C3 | C4 | C9 | C8 | 179.7° | 179.7° |
| C4 | C3 | C2 | H1 | 90.3° | 57.5° |
| C4 | C3 | H2 | H3 | 118.4° | 120.1° |
| C3 | C4 | C5 | H4 | 0.1° | 0.0° |
| C3 | C4 | C9 | H7 | 0.3° | 0.3° |
| C4 | C9 | C8 | H7 | 180.0° | 180.0° |
| C9 | C4 | C3 | H2 | 131.1° | 149.7° |
| C9 | C4 | C3 | H3 | 12.2° | 29.7° |
| C9 | C4 | C5 | H4 | 179.7° | 179.7° |
| C4 | C9 | C8 | H6 | 179.4° | 180.0° |
| O1 | C1 | C2 | H1 | 172.7° | 6.7° |
| C67 | C66 | C65 | H54 | 103.9° | 110.7° |
| C67 | C66 | H55 | H56 | 121.3° | 121.7° |
| C66 | C67 | H57 | H58 | 121.6° | 122.0° |
| C66 | C67 | C68 | H59 | 98.8° | 104.9° |
| C66 | C67 | C68 | H60 | 139.9° | 135.2° |
| O70 | C69 | N71 | C72 | 96.2° | 178.5° |
| O70 | C69 | C65 | H54 | 148.8° | 175.6° |
| C69 | N71 | C2 | H1 | 25.3° | 16.1° |
| N71 | C69 | C65 | H54 | 32.0° | 5.2° |
| C69 | N71 | C72 | H61 | 0.3° | 89.8° |
| C69 | N71 | C72 | H62 | 120.3° | 30.2° |
| C69 | N71 | C72 | H63 | 119.7° | 150.2° |
| C72 | N71 | C2 | H1 | 155.0° | 164.1° |
| N71 | C72 | H61 | H62 | 120.0° | 120.0° |
| N71 | C72 | H61 | H63 | 120.0° | 120.0° |
| N71 | C72 | H62 | H63 | 120.0° | 120.0° |
| H1 | C2 | C3 | H2 | 30.2° | 177.5° |
| H1 | C2 | C3 | H3 | 149.2° | 62.6° |
| H4 | C5 | C6 | H5 | 0.2° | 0.3° |
| H6 | C8 | C9 | H7 | 0.6° | 0.0° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.0° |
| H14 | C14 | C15 | H16 | 51.0° | 16.6° |
| H15 | C14 | C15 | H16 | 69.3° | 101.3° |
| H16 | C15 | C20 | H20 | 165.2° | 174.6° |
| H16 | C15 | C20 | H21 | 45.0° | 65.4° |
| H17 | C17 | C18 | H19 | 54.3° | 6.9° |
| H18 | C17 | C18 | H19 | 65.9° | 126.8° |
| H22 | C22 | C23 | H23 | 65.6° | 59.8° |
| H22 | C22 | C26 | H28 | 129.1° | 120.2° |
| H22 | C22 | C26 | H29 | 9.1° | 0.2° |
| H23 | C23 | C24 | H24 | 59.7° | 60.1° |
| H23 | C23 | C24 | H25 | 60.5° | 60.2° |
| H23 | C23 | C25 | H26 | 55.8° | 59.8° |
| H23 | C23 | C25 | H27 | 64.7° | 60.6° |
| H24 | C24 | C27 | H30 | 1.6° | 0.1° |
| H24 | C24 | C27 | H31 | 118.3° | 120.1° |
| H25 | C24 | C27 | H30 | 121.8° | 120.3° |
| H25 | C24 | C27 | H31 | 1.9° | 0.2° |
| H26 | C25 | C28 | H32 | 6.9° | 0.2° |
| H26 | C25 | C28 | H33 | 112.8° | 120.3° |
| H27 | C25 | C28 | H32 | 127.4° | 120.2° |
| H27 | C25 | C28 | H33 | 7.7° | 0.1° |
| H34 | C33 | N31 | H65 | 124.2° | 149.7° |
| H35 | C36 | C37 | H36 | 0.1° | 0.1° |
| H36 | C37 | C38 | H37 | 0.0° | 0.1° |
| H37 | C38 | C39 | H38 | 0.0° | 0.1° |
| H38 | C39 | C40 | H39 | 0.2° | 0.1° |
| H40 | C43 | C44 | H41 | 59.6° | 175.7° |
| H40 | C43 | C44 | H42 | 179.6° | 64.3° |
| H40 | C43 | C44 | H43 | 60.4° | 55.7° |
| H40 | C43 | C45 | H44 | 166.1° | 51.9° |
| H41 | C44 | H42 | H43 | 120.0° | 119.9° |
| H44 | C45 | N48 | H66 | 63.9° | 142.1° |
| H45 | C53 | C54 | H46 | 0.3° | 0.0° |
| H46 | C54 | C55 | H47 | 0.0° | 0.0° |
| H48 | C59 | C60 | H49 | 112.3° | 66.0° |
| H48 | C59 | C60 | H50 | 5.7° | 174.0° |
| H48 | C59 | N49 | H67 | 137.1° | 154.1° |
| H49 | C60 | C61 | H51 | 59.0° | 60.0° |
| H49 | C60 | C61 | H52 | 179.0° | NaN° |
| H49 | C60 | C61 | H53 | 61.0° | 60.0° |
| H50 | C60 | C61 | H51 | 59.0° | 60.0° |
| H50 | C60 | C61 | H52 | 61.0° | 60.0° |
| H50 | C60 | C61 | H53 | 179.0° | NaN° |
| H51 | C61 | H52 | H53 | 120.0° | 120.0° |
| H54 | C65 | C66 | H55 | 15.6° | 8.9° |
| H54 | C65 | C66 | H56 | 136.5° | 130.3° |
| H55 | C66 | C67 | H57 | 99.4° | 5.5° |
| H55 | C66 | C67 | H58 | 21.7° | 127.6° |
| H56 | C66 | C67 | H57 | 21.4° | 116.2° |
| H56 | C66 | C67 | H58 | 142.6° | 5.9° |
| H57 | C67 | C68 | H59 | 20.7° | 14.7° |
| H57 | C67 | C68 | H60 | 100.7° | 105.2° |
| H58 | C67 | C68 | H59 | 141.8° | 136.6° |
| H58 | C67 | C68 | H60 | 20.5° | 16.6° |
| H61 | C72 | H62 | H63 | 120.0° | 120.0° |
