SJE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O87 | N85 | sing | 1.22Å | 1.43Å | |
| O86 | N85 | doub | 1.22Å | 1.41Å | |
| N85 | C77 | sing | 1.48Å | 1.49Å | |
| C76 | C77 | doub | 1.38Å | 1.40Å | Aromatic |
| C76 | C75 | sing | 1.38Å | 1.41Å | Aromatic |
| C77 | C72 | sing | 1.38Å | 1.43Å | Aromatic |
| O81 | S78 | doub | 1.42Å | 1.67Å | |
| C75 | C74 | doub | 1.38Å | 1.40Å | Aromatic |
| C72 | S78 | sing | 1.76Å | 1.88Å | |
| C72 | C73 | doub | 1.38Å | 1.40Å | Aromatic |
| S78 | O79 | doub | 1.42Å | 1.66Å | |
| S78 | N80 | sing | 1.66Å | 1.77Å | |
| C74 | C73 | sing | 1.38Å | 1.40Å | Aromatic |
| N80 | C82 | sing | 1.46Å | 1.50Å | |
| C83 | C82 | sing | 1.53Å | 1.59Å | |
| C83 | N84 | sing | 1.46Å | 1.52Å | |
| N84 | C70 | sing | 1.35Å | 1.50Å | |
| C70 | O71 | doub | 1.21Å | 1.19Å | |
| C70 | O49 | sing | 1.35Å | 1.47Å | |
| O49 | C27 | sing | 1.45Å | 1.43Å | |
| C65 | C1 | sing | 1.53Å | 1.51Å | |
| O39 | C28 | doub | 1.22Å | 1.18Å | |
| C41 | C26 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O6 | sing | 1.43Å | 1.48Å | |
| C28 | C27 | sing | 1.51Å | 1.57Å | |
| C28 | C26 | sing | 1.50Å | 1.59Å | |
| C27 | C53 | sing | 1.53Å | 1.56Å | |
| C27 | C42 | sing | 1.54Å | 1.50Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C2 | O64 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C44 | C30 | sing | 1.54Å | 1.49Å | |
| C26 | C35 | sing | 1.53Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | C20 | sing | 1.51Å | 1.57Å | |
| C53 | C30 | sing | 1.53Å | 1.57Å | |
| O6 | C5 | sing | 1.43Å | 1.49Å | |
| C56 | C14 | sing | 1.53Å | 1.50Å | |
| C23 | C25 | sing | 1.53Å | 1.55Å | |
| C35 | O19 | sing | 1.46Å | 1.40Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.53Å | 1.56Å | |
| C20 | O22 | doub | 1.21Å | 1.19Å | |
| C20 | O19 | sing | 1.34Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C3 | O63 | sing | 1.43Å | 1.49Å | |
| O13 | C14 | sing | 1.43Å | 1.48Å | |
| O13 | C18 | sing | 1.43Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | O52 | sing | 1.43Å | 1.38Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C4 | O62 | sing | 1.43Å | 1.45Å | |
| C36 | C43 | sing | 1.54Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| O63 | C66 | sing | 1.43Å | 1.43Å | |
| C29 | O47 | sing | 1.42Å | 1.39Å | |
| C29 | C34 | sing | 1.52Å | 1.55Å | |
| O47 | C18 | sing | 1.43Å | 1.38Å | |
| O52 | C50 | sing | 1.43Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C16 | N55 | sing | 1.47Å | 1.54Å | |
| C58 | C8 | sing | 1.53Å | 1.50Å | |
| C17 | O57 | sing | 1.43Å | 1.45Å | |
| C50 | C45 | sing | 1.53Å | 1.55Å | |
| O68 | N55 | sing | 1.46Å | 1.42Å | |
| O68 | C69 | sing | 1.43Å | 1.42Å | |
| C37 | O38 | sing | 1.42Å | 1.41Å | |
| C37 | C45 | sing | 1.53Å | 1.53Å | |
| O7 | C8 | sing | 1.43Å | 1.47Å | |
| O7 | C12 | sing | 1.43Å | 1.47Å | |
| O62 | C67 | sing | 1.43Å | 1.42Å | |
| C34 | C33 | sing | 1.51Å | 1.52Å | |
| C34 | C54 | sing | 1.52Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C33 | O48 | sing | 1.44Å | 1.44Å | |
| C33 | C32 | sing | 1.51Å | 1.54Å | |
| O38 | C31 | sing | 1.32Å | 1.47Å | |
| C45 | C51 | sing | 1.53Å | 1.52Å | |
| C12 | O48 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| O40 | C31 | doub | 1.22Å | 1.19Å | |
| C31 | C32 | sing | 1.50Å | 1.55Å | |
| C32 | C46 | sing | 1.53Å | 1.51Å | |
| C9 | O59 | sing | 1.43Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C10 | O60 | sing | 1.43Å | 1.41Å | |
| C10 | C61 | sing | 1.53Å | 1.62Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.10Å | 1.10Å | |
| C29 | H24 | sing | 1.11Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.08Å | 1.10Å | |
| C32 | H27 | sing | 1.12Å | 1.10Å | |
| C33 | H28 | sing | 1.12Å | 1.10Å | |
| C34 | H29 | sing | 1.12Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.11Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H47 | sing | 1.09Å | 1.10Å | |
| C46 | H48 | sing | 1.09Å | 1.10Å | |
| C50 | H49 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C51 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H54 | sing | 1.09Å | 1.10Å | |
| C53 | H55 | sing | 1.10Å | 1.10Å | |
| C54 | H56 | sing | 1.09Å | 1.10Å | |
| C54 | H57 | sing | 1.09Å | 1.10Å | |
| C54 | H58 | sing | 1.09Å | 1.10Å | |
| C56 | H59 | sing | 1.09Å | 1.10Å | |
| C56 | H60 | sing | 1.09Å | 1.10Å | |
| C56 | H61 | sing | 1.09Å | 1.10Å | |
| C58 | H62 | sing | 1.09Å | 1.10Å | |
| C58 | H63 | sing | 1.09Å | 1.10Å | |
| C58 | H64 | sing | 1.09Å | 1.10Å | |
| C61 | H65 | sing | 1.09Å | 1.10Å | |
| C61 | H66 | sing | 1.09Å | 1.10Å | |
| C61 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H68 | sing | 1.09Å | 1.10Å | |
| C65 | H69 | sing | 1.09Å | 1.10Å | |
| C65 | H70 | sing | 1.09Å | 1.10Å | |
| C66 | H71 | sing | 1.09Å | 1.10Å | |
| C66 | H72 | sing | 1.09Å | 1.10Å | |
| C66 | H73 | sing | 1.09Å | 1.10Å | |
| C67 | H74 | sing | 1.09Å | 1.10Å | |
| C67 | H75 | sing | 1.09Å | 1.10Å | |
| C67 | H76 | sing | 1.09Å | 1.10Å | |
| C69 | H77 | sing | 1.09Å | 1.10Å | |
| C69 | H78 | sing | 1.09Å | 1.10Å | |
| C69 | H79 | sing | 1.09Å | 1.10Å | |
| C73 | H80 | sing | 1.08Å | 1.08Å | |
| C74 | H81 | sing | 1.08Å | 1.08Å | |
| C75 | H82 | sing | 1.08Å | 1.08Å | |
| C76 | H83 | sing | 1.08Å | 1.08Å | |
| C8 | H84 | sing | 1.09Å | 1.10Å | |
| C82 | H85 | sing | 1.09Å | 1.10Å | |
| C82 | H86 | sing | 1.09Å | 1.10Å | |
| C83 | H87 | sing | 1.09Å | 1.10Å | |
| C83 | H88 | sing | 1.09Å | 1.10Å | |
| C9 | H89 | sing | 1.09Å | 1.10Å | |
| N55 | H90 | sing | 1.01Å | 1.00Å | |
| N80 | H91 | sing | 0.97Å | 1.00Å | |
| N84 | H92 | sing | 0.97Å | 1.00Å | |
| O57 | H93 | sing | 0.97Å | 0.95Å | |
| O59 | H94 | sing | 0.97Å | 0.95Å | |
| O60 | H95 | sing | 0.97Å | 0.95Å | |
| O64 | H96 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O87 | N85 | O86 | 119.6° | 120.0° |
| O87 | N85 | C77 | 121.3° | 120.0° |
| O86 | N85 | C77 | 119.1° | 120.0° |
| N85 | C77 | C76 | 117.8° | 120.0° |
| N85 | C77 | C72 | 123.4° | 120.0° |
| C77 | C76 | C75 | 122.4° | 119.9° |
| C76 | C77 | C72 | 118.8° | 120.0° |
| C77 | C76 | H83 | 118.8° | 120.0° |
| C76 | C75 | C74 | 119.0° | 120.0° |
| C76 | C75 | H82 | 120.5° | 119.9° |
| C75 | C76 | H83 | 118.8° | 120.0° |
| C77 | C72 | S78 | 122.1° | 120.0° |
| C77 | C72 | C73 | 117.8° | 120.0° |
| O81 | S78 | C72 | 112.3° | 106.4° |
| O81 | S78 | O79 | 106.5° | 123.1° |
| O81 | S78 | N80 | 107.7° | 106.4° |
| C75 | C74 | C73 | 118.9° | 120.0° |
| C75 | C74 | H81 | 120.6° | 119.9° |
| C74 | C75 | H82 | 120.5° | 120.1° |
| S78 | C72 | C73 | 120.1° | 120.0° |
| C72 | S78 | O79 | 106.3° | 106.4° |
| C72 | S78 | N80 | 114.8° | 107.2° |
| C72 | C73 | C74 | 123.0° | 120.0° |
| C72 | C73 | H80 | 118.5° | 120.0° |
| O79 | S78 | N80 | 108.8° | 106.4° |
| S78 | N80 | C82 | 114.9° | 120.0° |
| S78 | N80 | H91 | 108.1° | 120.0° |
| C74 | C73 | H80 | 118.5° | 120.0° |
| C73 | C74 | H81 | 120.6° | 120.0° |
| N80 | C82 | C83 | 113.8° | 109.5° |
| N80 | C82 | H85 | 108.4° | 109.5° |
| N80 | C82 | H86 | 108.4° | 109.5° |
| C82 | N80 | H91 | 108.1° | 120.0° |
| C82 | C83 | N84 | 108.9° | 109.5° |
| C83 | C82 | H85 | 108.4° | 109.5° |
| C83 | C82 | H86 | 108.4° | 109.4° |
| C82 | C83 | H87 | 109.6° | 109.4° |
| C82 | C83 | H88 | 109.6° | 109.5° |
| C83 | N84 | C70 | 122.0° | 120.0° |
| N84 | C83 | H87 | 109.6° | 109.5° |
| N84 | C83 | H88 | 109.6° | 109.5° |
| C83 | N84 | H92 | 119.0° | 120.0° |
| N84 | C70 | O71 | 118.6° | 120.0° |
| N84 | C70 | O49 | 119.6° | 120.0° |
| C70 | N84 | H92 | 119.0° | 120.0° |
| O71 | C70 | O49 | 121.8° | 120.0° |
| C70 | O49 | C27 | 118.2° | 117.0° |
| O49 | C27 | C28 | 107.4° | 111.2° |
| O49 | C27 | C53 | 110.7° | 110.6° |
| O49 | C27 | C42 | 108.9° | 108.3° |
| C65 | C1 | C2 | 107.4° | 109.5° |
| C65 | C1 | O6 | 112.7° | 109.5° |
| C65 | C1 | H10 | 106.7° | 109.5° |
| C1 | C65 | H68 | 109.5° | 109.4° |
| C1 | C65 | H69 | 109.5° | 109.5° |
| C1 | C65 | H70 | 109.5° | 109.5° |
| O39 | C28 | C27 | 118.9° | 118.3° |
| O39 | C28 | C26 | 120.3° | 118.0° |
| C41 | C26 | C28 | 108.8° | 110.5° |
| C41 | C26 | C35 | 107.1° | 111.3° |
| C41 | C26 | H23 | 109.7° | 107.6° |
| C26 | C41 | H33 | 109.5° | 109.5° |
| C26 | C41 | H34 | 109.5° | 109.5° |
| C26 | C41 | H35 | 109.5° | 109.4° |
| C2 | C1 | O6 | 116.2° | 109.4° |
| C1 | C2 | O64 | 106.3° | 109.5° |
| C1 | C2 | C3 | 118.2° | 109.2° |
| C1 | C2 | H1 | 106.5° | 109.6° |
| C2 | C1 | H10 | 106.2° | 109.5° |
| C1 | O6 | C5 | 111.9° | 114.1° |
| O6 | C1 | H10 | 107.0° | 109.5° |
| C27 | C28 | C26 | 120.8° | 123.7° |
| C28 | C27 | C53 | 114.5° | 109.9° |
| C28 | C27 | C42 | 109.0° | 108.0° |
| C28 | C26 | C35 | 113.3° | 110.7° |
| C28 | C26 | H23 | 108.6° | 108.1° |
| C53 | C27 | C42 | 106.2° | 108.8° |
| C27 | C53 | C30 | 116.9° | 111.6° |
| C27 | C53 | H54 | 107.6° | 108.5° |
| C27 | C53 | H55 | 107.6° | 109.0° |
| C27 | C42 | H36 | 109.5° | 109.5° |
| C27 | C42 | H37 | 109.5° | 109.4° |
| C27 | C42 | H38 | 109.5° | 109.5° |
| C24 | C23 | C21 | 112.1° | 109.5° |
| C24 | C23 | C25 | 113.5° | 109.5° |
| C24 | C23 | H16 | 106.8° | 109.4° |
| C23 | C24 | H17 | 109.5° | 109.4° |
| C23 | C24 | H18 | 109.4° | 109.5° |
| C23 | C24 | H19 | 109.5° | 109.5° |
| O64 | C2 | C3 | 110.5° | 109.5° |
| O64 | C2 | H1 | 107.8° | 109.5° |
| C2 | O64 | H96 | 109.5° | 114.0° |
| C2 | C3 | C4 | 111.7° | 109.0° |
| C2 | C3 | O63 | 110.7° | 109.6° |
| C3 | C2 | H1 | 107.1° | 109.5° |
| C2 | C3 | H25 | 108.2° | 109.6° |
| C44 | C30 | C53 | 106.5° | 108.6° |
| C44 | C30 | C29 | 109.6° | 107.7° |
| C44 | C30 | H26 | 109.8° | 107.2° |
| C30 | C44 | H42 | 109.5° | 109.5° |
| C30 | C44 | H43 | 109.5° | 109.4° |
| C30 | C44 | H44 | 109.5° | 109.5° |
| C26 | C35 | O19 | 108.1° | 108.9° |
| C26 | C35 | C36 | 113.3° | 111.5° |
| C35 | C26 | H23 | 109.2° | 108.5° |
| C26 | C35 | H30 | 108.3° | 109.1° |
| C23 | C21 | C20 | 109.7° | 109.5° |
| C21 | C23 | C25 | 110.4° | 109.5° |
| C23 | C21 | H14 | 109.4° | 109.5° |
| C23 | C21 | H15 | 109.4° | 109.5° |
| C21 | C23 | H16 | 106.7° | 109.5° |
| C21 | C20 | O22 | 121.0° | 120.0° |
| C21 | C20 | O19 | 119.7° | 120.0° |
| C20 | C21 | H14 | 109.4° | 109.5° |
| C20 | C21 | H15 | 109.4° | 109.5° |
| C53 | C30 | C29 | 113.4° | 110.9° |
| C53 | C30 | H26 | 108.7° | 111.2° |
| C30 | C53 | H54 | 107.6° | 111.0° |
| C30 | C53 | H55 | 107.6° | 108.4° |
| O6 | C5 | C4 | 109.8° | 109.4° |
| O6 | C5 | O52 | 109.0° | 109.5° |
| O6 | C5 | H3 | 109.0° | 109.5° |
| C56 | C14 | O13 | 107.0° | 109.5° |
| C56 | C14 | C15 | 108.6° | 109.5° |
| C56 | C14 | H7 | 108.5° | 109.4° |
| C14 | C56 | H59 | 109.5° | 109.4° |
| C14 | C56 | H60 | 109.5° | 109.4° |
| C14 | C56 | H61 | 109.4° | 109.5° |
| C25 | C23 | H16 | 106.9° | 109.5° |
| C23 | C25 | H20 | 109.5° | 109.5° |
| C23 | C25 | H21 | 109.5° | 109.4° |
| C23 | C25 | H22 | 109.5° | 109.5° |
| O19 | C35 | C36 | 108.8° | 109.0° |
| C35 | O19 | C20 | 113.0° | 117.0° |
| O19 | C35 | H30 | 110.1° | 108.6° |
| C35 | C36 | C43 | 111.0° | 109.5° |
| C35 | C36 | C37 | 111.3° | 111.2° |
| C36 | C35 | H30 | 108.2° | 109.7° |
| C35 | C36 | H31 | 108.7° | 110.5° |
| C30 | C29 | O47 | 113.8° | 110.5° |
| C30 | C29 | C34 | 108.9° | 113.1° |
| C30 | C29 | H24 | 108.2° | 106.5° |
| C29 | C30 | H26 | 108.8° | 111.0° |
| O22 | C20 | O19 | 119.3° | 120.0° |
| C4 | C3 | O63 | 109.2° | 109.5° |
| C3 | C4 | C5 | 109.5° | 109.2° |
| C3 | C4 | O62 | 108.5° | 109.6° |
| C3 | C4 | H2 | 109.6° | 109.6° |
| C4 | C3 | H25 | 108.6° | 109.5° |
| C3 | O63 | C66 | 114.3° | 114.0° |
| O63 | C3 | H25 | 108.4° | 109.6° |
| C14 | O13 | C18 | 112.3° | 114.1° |
| O13 | C14 | C15 | 115.4° | 109.4° |
| O13 | C14 | H7 | 108.9° | 109.5° |
| O13 | C18 | O47 | 106.7° | 109.5° |
| O13 | C18 | C17 | 113.9° | 109.4° |
| O13 | C18 | H13 | 109.7° | 109.5° |
| C4 | C5 | O52 | 110.0° | 109.5° |
| C5 | C4 | O62 | 110.2° | 109.5° |
| C5 | C4 | H2 | 108.9° | 109.5° |
| C4 | C5 | H3 | 108.5° | 109.5° |
| C5 | O52 | C50 | 112.6° | 114.0° |
| O52 | C5 | H3 | 110.6° | 109.5° |
| C14 | C15 | C16 | 113.9° | 109.2° |
| C15 | C14 | H7 | 108.2° | 109.5° |
| C14 | C15 | H8 | 108.4° | 109.5° |
| C14 | C15 | H9 | 108.4° | 109.5° |
| C4 | O62 | C67 | 114.7° | 114.0° |
| O62 | C4 | H2 | 110.1° | 109.5° |
| C43 | C36 | C37 | 107.9° | 108.7° |
| C43 | C36 | H31 | 109.1° | 108.6° |
| C36 | C43 | H39 | 109.5° | 109.5° |
| C36 | C43 | H40 | 109.5° | 109.5° |
| C36 | C43 | H41 | 109.5° | 109.5° |
| C36 | C37 | O38 | 109.7° | 113.1° |
| C36 | C37 | C45 | 107.5° | 109.6° |
| C37 | C36 | H31 | 108.8° | 108.2° |
| C36 | C37 | H32 | 110.3° | 105.9° |
| O63 | C66 | H71 | 109.5° | 109.5° |
| O63 | C66 | H72 | 109.5° | 109.4° |
| O63 | C66 | H73 | 109.5° | 109.4° |
| O47 | C29 | C34 | 107.2° | 112.0° |
| C29 | O47 | C18 | 114.1° | 114.0° |
| O47 | C29 | H24 | 110.4° | 107.1° |
| C29 | C34 | C33 | 110.6° | 112.2° |
| C29 | C34 | C54 | 112.2° | 112.9° |
| C34 | C29 | H24 | 108.3° | 107.3° |
| C29 | C34 | H29 | 107.6° | 105.7° |
| O47 | C18 | C17 | 106.9° | 109.5° |
| O47 | C18 | H13 | 110.9° | 109.5° |
| O52 | C50 | C45 | 107.8° | 109.5° |
| O52 | C50 | H49 | 109.9° | 109.5° |
| O52 | C50 | H50 | 109.9° | 109.4° |
| C15 | C16 | C17 | 114.4° | 109.0° |
| C15 | C16 | N55 | 108.9° | 109.5° |
| C16 | C15 | H8 | 108.3° | 109.5° |
| C16 | C15 | H9 | 108.3° | 109.5° |
| C15 | C16 | H11 | 108.1° | 109.6° |
| C18 | C17 | C16 | 113.7° | 109.1° |
| C18 | C17 | O57 | 109.6° | 109.5° |
| C18 | C17 | H12 | 106.8° | 109.5° |
| C17 | C18 | H13 | 108.7° | 109.5° |
| C17 | C16 | N55 | 109.7° | 109.5° |
| C16 | C17 | O57 | 111.1° | 109.5° |
| C17 | C16 | H11 | 108.0° | 109.6° |
| C16 | C17 | H12 | 107.4° | 109.5° |
| C16 | N55 | O68 | 108.6° | 111.0° |
| N55 | C16 | H11 | 107.4° | 109.6° |
| C16 | N55 | H90 | 109.7° | 111.0° |
| C58 | C8 | O7 | 108.0° | 109.5° |
| C58 | C8 | C9 | 107.6° | 109.5° |
| C8 | C58 | H62 | 109.5° | 109.5° |
| C8 | C58 | H63 | 109.5° | 109.4° |
| C8 | C58 | H64 | 109.4° | 109.5° |
| C58 | C8 | H84 | 109.2° | 109.4° |
| O57 | C17 | H12 | 107.9° | 109.6° |
| C17 | O57 | H93 | 109.5° | 114.0° |
| C50 | C45 | C37 | 110.0° | 109.4° |
| C50 | C45 | C51 | 110.5° | 109.5° |
| C50 | C45 | H45 | 108.8° | 109.5° |
| C45 | C50 | H49 | 109.9° | 109.5° |
| C45 | C50 | H50 | 109.9° | 109.5° |
| N55 | O68 | C69 | 110.8° | 114.1° |
| O68 | N55 | H90 | 109.7° | 111.0° |
| O68 | C69 | H77 | 109.5° | 109.5° |
| O68 | C69 | H78 | 109.5° | 109.4° |
| O68 | C69 | H79 | 109.4° | 109.5° |
| O38 | C37 | C45 | 106.4° | 113.5° |
| C37 | O38 | C31 | 118.9° | 127.3° |
| O38 | C37 | H32 | 112.4° | 107.5° |
| C37 | C45 | C51 | 109.1° | 109.5° |
| C45 | C37 | H32 | 110.5° | 106.6° |
| C37 | C45 | H45 | 109.1° | 109.5° |
| C8 | O7 | C12 | 112.4° | 114.1° |
| O7 | C8 | C9 | 113.3° | 109.4° |
| O7 | C8 | H84 | 109.6° | 109.5° |
| O7 | C12 | O48 | 110.1° | 109.5° |
| O7 | C12 | C11 | 111.0° | 109.4° |
| O7 | C12 | H6 | 109.2° | 109.4° |
| O62 | C67 | H74 | 109.5° | 109.5° |
| O62 | C67 | H75 | 109.5° | 109.5° |
| O62 | C67 | H76 | 109.5° | 109.5° |
| C33 | C34 | C54 | 110.6° | 113.7° |
| C34 | C33 | O48 | 111.4° | 109.9° |
| C34 | C33 | C32 | 105.0° | 117.8° |
| C34 | C33 | H28 | 108.4° | 106.6° |
| C33 | C34 | H29 | 107.9° | 106.1° |
| C54 | C34 | H29 | 107.7° | 105.5° |
| C34 | C54 | H56 | 109.5° | 109.5° |
| C34 | C54 | H57 | 109.5° | 109.4° |
| C34 | C54 | H58 | 109.5° | 109.5° |
| C8 | C9 | O59 | 107.2° | 109.5° |
| C8 | C9 | C10 | 112.6° | 109.2° |
| C9 | C8 | H84 | 109.0° | 109.5° |
| C8 | C9 | H89 | 108.1° | 109.5° |
| O48 | C33 | C32 | 114.1° | 109.6° |
| C33 | O48 | C12 | 113.4° | 114.0° |
| O48 | C33 | H28 | 109.6° | 104.9° |
| C33 | C32 | C31 | 108.5° | 115.3° |
| C33 | C32 | C46 | 113.8° | 111.7° |
| C33 | C32 | H27 | 107.7° | 106.7° |
| C32 | C33 | H28 | 108.2° | 107.3° |
| O38 | C31 | O40 | 122.5° | 121.6° |
| O38 | C31 | C32 | 117.0° | 121.1° |
| C51 | C45 | H45 | 109.3° | 109.5° |
| C45 | C51 | H51 | 109.5° | 109.5° |
| C45 | C51 | H52 | 109.5° | 109.5° |
| C45 | C51 | H53 | 109.4° | 109.5° |
| O48 | C12 | C11 | 108.1° | 109.5° |
| O48 | C12 | H6 | 109.9° | 109.5° |
| C12 | C11 | C10 | 109.5° | 109.2° |
| C12 | C11 | H4 | 109.5° | 109.5° |
| C12 | C11 | H5 | 109.4° | 109.6° |
| C11 | C12 | H6 | 108.5° | 109.5° |
| O40 | C31 | C32 | 120.6° | 117.3° |
| C31 | C32 | C46 | 110.9° | 111.0° |
| C31 | C32 | H27 | 107.6° | 106.0° |
| C46 | C32 | H27 | 108.0° | 105.3° |
| C32 | C46 | H46 | 109.5° | 109.5° |
| C32 | C46 | H47 | 109.5° | 109.5° |
| C32 | C46 | H48 | 109.5° | 109.5° |
| O59 | C9 | C10 | 111.1° | 109.6° |
| O59 | C9 | H89 | 109.1° | 109.5° |
| C9 | O59 | H94 | 109.5° | 114.0° |
| C9 | C10 | C11 | 111.4° | 109.1° |
| C9 | C10 | O60 | 110.1° | 109.5° |
| C9 | C10 | C61 | 109.7° | 109.6° |
| C10 | C9 | H89 | 108.7° | 109.4° |
| C11 | C10 | O60 | 108.1° | 109.6° |
| C11 | C10 | C61 | 109.2° | 109.5° |
| C10 | C11 | H4 | 109.5° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| O60 | C10 | C61 | 108.4° | 109.5° |
| C10 | O60 | H95 | 109.5° | 114.0° |
| C10 | C61 | H65 | 109.5° | 109.5° |
| C10 | C61 | H66 | 109.5° | 109.5° |
| C10 | C61 | H67 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.6° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.4° | 109.5° |
| H17 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H33 | C41 | H34 | 109.5° | 109.5° |
| H33 | C41 | H35 | 109.4° | 109.5° |
| H34 | C41 | H35 | 109.5° | 109.5° |
| H36 | C42 | H37 | 109.5° | 109.5° |
| H36 | C42 | H38 | 109.4° | 109.5° |
| H37 | C42 | H38 | 109.5° | 109.4° |
| H39 | C43 | H40 | 109.4° | 109.4° |
| H39 | C43 | H41 | 109.5° | 109.4° |
| H40 | C43 | H41 | 109.5° | 109.5° |
| H42 | C44 | H43 | 109.5° | 109.5° |
| H42 | C44 | H44 | 109.5° | 109.5° |
| H43 | C44 | H44 | 109.5° | 109.5° |
| H46 | C46 | H47 | 109.5° | 109.4° |
| H46 | C46 | H48 | 109.5° | 109.5° |
| H47 | C46 | H48 | 109.5° | 109.4° |
| H49 | C50 | H50 | 109.5° | 109.5° |
| H51 | C51 | H52 | 109.5° | 109.5° |
| H51 | C51 | H53 | 109.5° | 109.4° |
| H52 | C51 | H53 | 109.5° | 109.4° |
| H54 | C53 | H55 | 109.5° | 108.3° |
| H56 | C54 | H57 | 109.5° | 109.4° |
| H56 | C54 | H58 | 109.5° | 109.4° |
| H57 | C54 | H58 | 109.4° | 109.5° |
| H59 | C56 | H60 | 109.5° | 109.4° |
| H59 | C56 | H61 | 109.5° | 109.5° |
| H60 | C56 | H61 | 109.4° | 109.5° |
| H62 | C58 | H63 | 109.5° | 109.5° |
| H62 | C58 | H64 | 109.5° | 109.5° |
| H63 | C58 | H64 | 109.5° | 109.4° |
| H65 | C61 | H66 | 109.5° | 109.4° |
| H65 | C61 | H67 | 109.5° | 109.5° |
| H66 | C61 | H67 | 109.4° | 109.5° |
| H68 | C65 | H69 | 109.5° | 109.4° |
| H68 | C65 | H70 | 109.5° | 109.5° |
| H69 | C65 | H70 | 109.5° | 109.5° |
| H71 | C66 | H72 | 109.5° | 109.5° |
| H71 | C66 | H73 | 109.4° | 109.5° |
| H72 | C66 | H73 | 109.5° | 109.5° |
| H74 | C67 | H75 | 109.5° | 109.5° |
| H74 | C67 | H76 | 109.5° | 109.4° |
| H75 | C67 | H76 | 109.5° | 109.5° |
| H77 | C69 | H78 | 109.5° | 109.4° |
| H77 | C69 | H79 | 109.5° | 109.5° |
| H78 | C69 | H79 | 109.5° | 109.5° |
| H85 | C82 | H86 | 109.5° | 109.4° |
| H87 | C83 | H88 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O87 | N85 | O86 | C77 | 178.7° | 180.0° |
| O87 | N85 | C77 | C76 | 72.4° | 173.3° |
| O87 | N85 | C77 | C72 | 108.2° | 7.3° |
| O86 | N85 | C77 | C76 | 106.3° | 6.7° |
| O86 | N85 | C77 | C72 | 73.2° | 172.7° |
| N85 | C77 | C76 | C72 | 179.5° | 179.4° |
| N85 | C77 | C76 | C75 | 179.3° | 180.0° |
| N85 | C77 | C72 | S78 | 0.8° | 0.3° |
| N85 | C77 | C72 | C73 | 178.8° | 180.0° |
| N85 | C77 | C76 | H83 | 0.7° | 0.6° |
| C77 | C76 | C75 | H83 | 180.0° | 179.4° |
| C77 | C76 | C75 | C74 | 0.2° | 0.3° |
| C76 | C77 | C72 | S78 | 179.7° | 179.7° |
| C76 | C77 | C72 | C73 | 0.7° | 0.6° |
| C77 | C76 | C75 | H82 | 179.8° | 179.7° |
| C75 | C76 | C77 | C72 | 0.2° | 0.6° |
| C76 | C75 | C74 | H82 | 180.0° | 180.0° |
| C76 | C75 | C74 | C73 | 0.8° | 0.0° |
| C76 | C75 | C74 | H81 | 179.2° | 180.0° |
| C77 | C72 | S78 | O81 | 7.6° | 51.8° |
| C77 | C72 | S78 | C73 | 179.6° | 179.7° |
| C77 | C72 | S78 | O79 | 108.5° | 175.3° |
| C77 | C72 | S78 | N80 | 131.2° | 61.7° |
| C77 | C72 | C73 | C74 | 1.3° | 0.3° |
| C77 | C72 | C73 | H80 | 178.7° | 179.7° |
| C72 | C77 | C76 | H83 | 179.8° | 180.0° |
| O81 | S78 | C72 | O79 | 116.1° | 132.9° |
| O81 | S78 | C72 | N80 | 123.6° | 113.5° |
| O81 | S78 | C72 | C73 | 172.8° | 128.4° |
| O81 | S78 | O79 | N80 | 115.9° | 122.9° |
| O81 | S78 | N80 | C82 | 153.9° | 175.5° |
| O81 | S78 | N80 | H91 | 33.1° | 4.5° |
| C75 | C74 | C73 | C72 | 1.3° | 0.0° |
| C75 | C74 | C73 | H81 | 180.0° | 180.0° |
| C75 | C74 | C73 | H80 | 178.6° | 180.0° |
| C74 | C75 | C76 | H83 | 179.8° | 179.7° |
| C72 | S78 | O79 | N80 | 124.2° | 114.1° |
| S78 | C72 | C73 | C74 | 179.1° | 180.0° |
| C72 | S78 | N80 | C82 | 27.9° | 62.0° |
| S78 | C72 | C73 | H80 | 0.9° | 0.0° |
| C72 | S78 | N80 | H91 | 92.9° | 118.0° |
| C73 | C72 | S78 | O79 | 71.1° | 4.4° |
| C73 | C72 | S78 | N80 | 49.2° | 118.0° |
| C72 | C73 | C74 | H80 | 180.0° | 180.0° |
| C72 | C73 | C74 | H81 | 178.7° | 180.0° |
| O79 | S78 | N80 | C82 | 91.0° | 51.6° |
| O79 | S78 | N80 | H91 | 148.2° | 128.4° |
| S78 | N80 | C82 | H91 | 120.8° | 180.0° |
| S78 | N80 | C82 | C83 | 89.0° | 162.0° |
| S78 | N80 | C82 | H85 | 150.4° | 42.0° |
| S78 | N80 | C82 | H86 | 31.7° | 78.0° |
| C73 | C74 | C75 | H82 | 179.2° | 180.0° |
| N80 | C82 | C83 | H85 | 120.7° | 120.0° |
| N80 | C82 | C83 | H86 | 120.6° | 120.0° |
| N80 | C82 | C83 | N84 | 177.1° | 180.0° |
| N80 | C82 | H85 | H86 | 118.0° | 120.0° |
| N80 | C82 | C83 | H87 | 63.0° | 60.0° |
| N80 | C82 | C83 | H88 | 57.2° | 60.0° |
| C82 | C83 | N84 | H87 | 119.9° | 120.0° |
| C82 | C83 | N84 | H88 | 119.9° | 120.0° |
| C82 | C83 | N84 | C70 | 87.6° | 180.0° |
| C83 | C82 | H85 | H86 | 118.0° | 119.9° |
| C82 | C83 | H87 | H88 | 120.2° | 119.9° |
| C83 | C82 | N80 | H91 | 31.9° | 18.0° |
| C82 | C83 | N84 | H92 | 92.4° | 0.0° |
| C83 | N84 | C70 | H92 | 180.0° | 180.0° |
| C83 | N84 | C70 | O71 | 10.3° | 0.0° |
| C83 | N84 | C70 | O49 | 168.5° | 180.0° |
| N84 | C83 | C82 | H85 | 56.4° | 60.0° |
| N84 | C83 | C82 | H86 | 62.3° | 60.0° |
| N84 | C83 | H87 | H88 | 120.3° | 120.0° |
| N84 | C70 | O71 | O49 | 178.9° | 180.0° |
| N84 | C70 | O49 | C27 | 98.1° | 180.0° |
| C70 | N84 | C83 | H87 | 152.4° | 60.0° |
| C70 | N84 | C83 | H88 | 32.3° | 60.0° |
| O71 | C70 | O49 | C27 | 83.1° | 0.0° |
| O71 | C70 | N84 | H92 | 169.7° | 179.9° |
| C70 | O49 | C27 | C28 | 74.9° | 61.7° |
| C70 | O49 | C27 | C53 | 50.8° | 175.9° |
| C70 | O49 | C27 | C42 | 167.2° | 56.8° |
| O49 | C70 | N84 | H92 | 11.4° | 0.0° |
| O49 | C27 | C28 | O39 | 60.0° | 144.9° |
| O49 | C27 | C28 | C53 | 123.4° | 122.8° |
| O49 | C27 | C28 | C42 | 117.8° | 118.7° |
| O49 | C27 | C28 | C26 | 117.3° | 34.6° |
| O49 | C27 | C53 | C42 | 118.1° | 118.9° |
| O49 | C27 | C53 | C30 | 136.4° | 32.4° |
| O49 | C27 | C42 | H36 | 180.0° | 179.7° |
| O49 | C27 | C42 | H37 | 60.0° | 59.7° |
| O49 | C27 | C42 | H38 | 60.0° | 60.2° |
| O49 | C27 | C53 | H54 | 102.5° | 90.1° |
| O49 | C27 | C53 | H55 | 15.3° | 152.1° |
| C65 | C1 | C2 | O6 | 127.3° | 120.0° |
| C65 | C1 | C2 | H10 | 113.8° | 120.1° |
| C65 | C1 | O6 | H10 | 117.0° | 120.0° |
| C65 | C1 | C2 | O64 | 143.5° | 62.5° |
| C65 | C1 | C2 | C3 | 91.7° | 177.6° |
| C65 | C1 | O6 | C5 | 120.4° | 178.9° |
| C65 | C1 | C2 | H1 | 28.8° | 57.6° |
| C1 | C65 | H68 | H69 | 120.0° | 120.0° |
| C1 | C65 | H68 | H70 | 120.0° | 120.0° |
| C1 | C65 | H69 | H70 | 120.0° | 120.0° |
| O39 | C28 | C26 | C41 | 67.7° | 119.7° |
| O39 | C28 | C27 | C26 | 177.3° | 179.4° |
| O39 | C28 | C27 | C53 | 63.4° | 92.3° |
| O39 | C28 | C27 | C42 | 177.9° | 26.2° |
| O39 | C28 | C26 | C35 | 51.3° | 116.4° |
| O39 | C28 | C26 | H23 | 172.9° | 2.3° |
| C41 | C26 | C28 | C27 | 109.6° | 59.7° |
| C41 | C26 | C28 | C35 | 119.0° | 123.8° |
| C41 | C26 | C28 | H23 | 119.4° | 117.4° |
| C41 | C26 | C35 | H23 | 118.8° | 118.2° |
| C41 | C26 | C35 | O19 | 152.0° | 177.9° |
| C41 | C26 | C35 | C36 | 87.2° | 61.8° |
| C41 | C26 | C35 | H30 | 32.7° | 59.5° |
| C26 | C41 | H33 | H34 | 120.0° | 120.0° |
| C26 | C41 | H33 | H35 | 120.0° | 120.0° |
| C26 | C41 | H34 | H35 | 120.0° | 120.0° |
| C2 | C1 | O6 | H10 | 118.5° | 120.0° |
| C1 | C2 | O64 | C3 | 129.4° | 119.7° |
| C1 | C2 | O64 | H1 | 113.9° | 120.2° |
| C1 | C2 | C3 | H1 | 120.1° | 120.0° |
| C2 | C1 | O6 | C5 | 4.2° | 61.2° |
| C1 | C2 | C3 | C4 | 10.6° | 57.0° |
| C1 | C2 | C3 | O63 | 132.6° | 62.9° |
| C1 | C2 | C3 | H25 | 108.9° | 176.9° |
| C2 | C1 | C65 | H68 | 180.0° | 60.0° |
| C2 | C1 | C65 | H69 | 60.0° | 180.0° |
| C2 | C1 | C65 | H70 | 60.0° | 60.0° |
| C1 | C2 | O64 | H96 | 180.0° | 60.3° |
| O6 | C1 | C2 | O64 | 89.2° | 177.5° |
| O6 | C1 | C2 | C3 | 35.6° | 57.6° |
| C1 | O6 | C5 | C4 | 47.2° | 61.1° |
| C1 | O6 | C5 | O52 | 167.8° | 178.8° |
| O6 | C1 | C2 | H1 | 156.0° | 62.3° |
| C1 | O6 | C5 | H3 | 71.5° | 58.8° |
| O6 | C1 | C65 | H68 | 50.7° | 59.9° |
| O6 | C1 | C65 | H69 | 170.7° | 60.0° |
| O6 | C1 | C65 | H70 | 69.3° | 179.9° |
| C28 | C27 | C53 | C42 | 120.3° | 118.0° |
| C27 | C28 | C26 | C35 | 131.4° | 64.1° |
| C28 | C27 | C53 | C30 | 14.7° | 155.6° |
| C27 | C28 | C26 | H23 | 9.8° | 177.2° |
| C28 | C27 | C42 | H36 | 63.1° | 59.2° |
| C28 | C27 | C42 | H37 | 56.9° | 60.8° |
| C28 | C27 | C42 | H38 | 176.9° | 179.3° |
| C28 | C27 | C53 | H54 | 135.8° | 33.0° |
| C28 | C27 | C53 | H55 | 106.3° | 84.7° |
| C26 | C28 | C27 | C53 | 119.2° | 88.2° |
| C26 | C28 | C27 | C42 | 0.5° | 153.3° |
| C28 | C26 | C35 | H23 | 121.2° | 118.5° |
| C28 | C26 | C35 | O19 | 32.0° | 54.6° |
| C28 | C26 | C35 | C36 | 152.8° | 174.8° |
| C28 | C26 | C35 | H30 | 87.3° | 63.9° |
| C28 | C26 | C41 | H33 | 180.0° | 70.7° |
| C28 | C26 | C41 | H34 | 60.0° | 49.3° |
| C28 | C26 | C41 | H35 | 60.0° | 169.3° |
| C27 | C53 | C30 | C44 | 101.8° | 102.6° |
| C27 | C53 | C30 | H54 | 121.1° | 121.1° |
| C27 | C53 | C30 | H55 | 121.1° | 120.0° |
| C27 | C53 | C30 | C29 | 137.6° | 139.2° |
| C27 | C53 | C30 | H26 | 16.4° | 15.2° |
| C53 | C27 | C42 | H36 | 60.7° | 60.0° |
| C53 | C27 | C42 | H37 | 179.3° | 180.0° |
| C53 | C27 | C42 | H38 | 59.3° | 60.0° |
| C27 | C53 | H54 | H55 | 116.7° | 118.2° |
| C42 | C27 | C53 | C30 | 105.6° | 86.4° |
| C27 | C42 | H36 | H37 | 120.0° | 120.0° |
| C27 | C42 | H36 | H38 | 120.0° | 120.1° |
| C27 | C42 | H37 | H38 | 120.0° | 120.0° |
| C42 | C27 | C53 | H54 | 15.5° | 151.0° |
| C42 | C27 | C53 | H55 | 133.4° | 33.3° |
| C24 | C23 | C21 | C25 | 127.6° | 120.0° |
| C24 | C23 | C21 | H16 | 116.6° | 120.0° |
| C24 | C23 | C21 | C20 | 153.4° | 65.4° |
| C24 | C23 | C25 | H16 | 117.5° | 120.0° |
| C24 | C23 | C21 | H14 | 86.6° | 54.6° |
| C24 | C23 | C21 | H15 | 33.4° | 174.6° |
| C23 | C24 | H17 | H18 | 120.0° | 120.0° |
| C23 | C24 | H17 | H19 | 120.0° | 120.0° |
| C23 | C24 | H18 | H19 | 120.0° | 120.0° |
| C24 | C23 | C25 | H20 | 180.0° | 175.0° |
| C24 | C23 | C25 | H21 | 60.0° | 55.0° |
| C24 | C23 | C25 | H22 | 60.0° | 64.9° |
| O64 | C2 | C3 | H1 | 117.2° | 120.1° |
| O64 | C2 | C3 | C4 | 112.0° | 176.9° |
| O64 | C2 | C3 | O63 | 9.9° | 57.0° |
| O64 | C2 | C1 | H10 | 29.7° | 57.6° |
| O64 | C2 | C3 | H25 | 128.5° | 63.3° |
| C2 | C3 | C4 | O63 | 122.8° | 119.9° |
| C2 | C3 | C4 | H25 | 119.3° | 119.9° |
| C2 | C3 | O63 | H25 | 118.5° | 120.2° |
| C2 | C3 | C4 | C5 | 40.4° | 57.0° |
| C2 | C3 | C4 | O62 | 160.7° | 176.9° |
| C2 | C3 | O63 | C66 | 125.8° | 90.0° |
| C2 | C3 | C4 | H2 | 79.0° | 62.9° |
| C3 | C2 | C1 | H10 | 154.5° | 62.3° |
| C3 | C2 | O64 | H96 | 50.6° | 180.0° |
| C44 | C30 | C53 | C29 | 120.6° | 118.2° |
| C44 | C30 | C53 | H26 | 118.2° | 117.8° |
| C44 | C30 | C29 | H26 | 120.0° | 117.1° |
| C44 | C30 | C29 | O47 | 103.6° | 105.0° |
| C44 | C30 | C29 | C34 | 136.9° | 128.7° |
| C44 | C30 | C29 | H24 | 19.5° | 11.1° |
| C30 | C44 | H42 | H43 | 120.0° | 120.0° |
| C30 | C44 | H42 | H44 | 120.0° | 120.0° |
| C30 | C44 | H43 | H44 | 120.0° | 120.0° |
| C44 | C30 | C53 | H54 | 137.1° | 136.3° |
| C44 | C30 | C53 | H55 | 19.3° | 17.4° |
| C26 | C35 | O19 | C36 | 123.4° | 121.8° |
| C26 | C35 | O19 | H30 | 118.1° | 118.7° |
| C26 | C35 | C36 | H30 | 120.0° | 121.0° |
| C26 | C35 | O19 | C20 | 116.7° | 43.1° |
| C26 | C35 | C36 | C43 | 30.6° | 76.4° |
| C26 | C35 | C36 | C37 | 150.8° | 163.5° |
| C26 | C35 | C36 | H31 | 89.4° | 43.2° |
| C35 | C26 | C41 | H33 | 57.2° | 52.7° |
| C35 | C26 | C41 | H34 | 62.8° | 172.8° |
| C35 | C26 | C41 | H35 | 177.2° | 67.2° |
| C23 | C21 | C20 | H14 | 120.0° | 120.0° |
| C23 | C21 | C20 | H15 | 120.0° | 120.0° |
| C21 | C23 | C25 | H16 | 115.7° | 120.0° |
| C23 | C21 | C20 | O22 | 42.8° | 4.7° |
| C23 | C21 | C20 | O19 | 136.9° | 175.3° |
| C23 | C21 | H14 | H15 | 119.9° | 120.0° |
| C21 | C23 | C24 | H17 | 180.0° | 64.8° |
| C21 | C23 | C24 | H18 | 60.0° | 175.3° |
| C21 | C23 | C24 | H19 | 60.0° | 55.2° |
| C21 | C23 | C25 | H20 | 53.2° | 65.0° |
| C21 | C23 | C25 | H21 | 173.2° | 175.0° |
| C21 | C23 | C25 | H22 | 66.8° | 55.1° |
| C20 | C21 | C23 | C25 | 79.0° | 174.6° |
| C21 | C20 | O19 | C35 | 9.3° | 179.9° |
| C21 | C20 | O22 | O19 | 179.7° | 180.0° |
| C20 | C21 | H14 | H15 | 119.9° | 120.0° |
| C20 | C21 | C23 | H16 | 36.8° | 54.6° |
| C53 | C30 | C29 | H26 | 121.1° | 124.2° |
| C53 | C30 | C29 | O47 | 15.3° | 13.8° |
| C53 | C30 | C29 | C34 | 104.2° | 112.6° |
| C53 | C30 | C29 | H24 | 138.3° | 129.8° |
| C53 | C30 | C44 | H42 | 180.0° | 60.1° |
| C53 | C30 | C44 | H43 | 60.0° | 59.9° |
| C53 | C30 | C44 | H44 | 60.0° | 179.9° |
| C30 | C53 | H54 | H55 | 116.6° | 118.9° |
| O6 | C5 | C4 | C3 | 73.8° | 57.6° |
| O6 | C5 | C4 | O52 | 119.9° | 120.0° |
| O6 | C5 | C4 | H3 | 119.1° | 119.9° |
| O6 | C5 | O52 | H3 | 119.8° | 120.0° |
| O6 | C5 | C4 | O62 | 166.9° | 177.5° |
| O6 | C5 | O52 | C50 | 104.2° | 65.0° |
| O6 | C5 | C4 | H2 | 46.1° | 62.4° |
| C5 | O6 | C1 | H10 | 122.6° | 58.8° |
| C56 | C14 | O13 | C15 | 120.9° | 120.0° |
| C56 | C14 | O13 | H7 | 117.1° | 120.0° |
| C56 | C14 | O13 | C18 | 148.8° | 178.8° |
| C56 | C14 | C15 | H7 | 117.7° | 120.0° |
| C56 | C14 | C15 | C16 | 94.8° | 177.6° |
| C56 | C14 | C15 | H8 | 25.8° | 57.7° |
| C56 | C14 | C15 | H9 | 144.5° | 62.5° |
| C14 | C56 | H59 | H60 | 120.0° | 119.9° |
| C14 | C56 | H59 | H61 | 120.0° | 120.0° |
| C14 | C56 | H60 | H61 | 119.9° | 120.0° |
| C25 | C23 | C21 | H14 | 41.0° | 65.4° |
| C25 | C23 | C21 | H15 | 160.9° | 54.6° |
| C25 | C23 | C24 | H17 | 54.1° | 55.2° |
| C25 | C23 | C24 | H18 | 174.0° | 64.8° |
| C25 | C23 | C24 | H19 | 65.9° | 175.2° |
| C23 | C25 | H20 | H21 | 120.0° | 119.9° |
| C23 | C25 | H20 | H22 | 120.0° | 120.1° |
| C23 | C25 | H21 | H22 | 120.0° | 120.0° |
| O19 | C35 | C36 | H30 | 119.7° | 118.8° |
| C35 | O19 | C20 | O22 | 171.0° | 0.1° |
| O19 | C35 | C36 | C43 | 89.7° | 43.8° |
| O19 | C35 | C36 | C37 | 30.5° | 76.3° |
| O19 | C35 | C26 | H23 | 89.2° | 63.9° |
| O19 | C35 | C36 | H31 | 150.3° | 163.4° |
| C36 | C35 | O19 | C20 | 119.9° | 78.7° |
| C35 | C36 | C43 | C37 | 122.2° | 121.7° |
| C35 | C36 | C43 | H31 | 119.8° | 120.8° |
| C35 | C36 | C37 | H31 | 119.8° | 121.6° |
| C35 | C36 | C37 | O38 | 86.5° | 37.4° |
| C35 | C36 | C37 | C45 | 158.3° | 90.4° |
| C36 | C35 | C26 | H23 | 31.6° | 56.3° |
| C35 | C36 | C37 | H32 | 37.8° | 154.9° |
| C35 | C36 | C43 | H39 | 180.0° | 69.8° |
| C35 | C36 | C43 | H40 | 60.0° | 170.2° |
| C35 | C36 | C43 | H41 | 60.0° | 50.2° |
| C30 | C29 | O47 | C34 | 120.5° | 127.0° |
| C30 | C29 | O47 | H24 | 121.8° | 115.6° |
| C30 | C29 | C34 | H24 | 117.4° | 117.1° |
| C30 | C29 | O47 | C18 | 126.1° | 79.9° |
| C30 | C29 | C34 | C33 | 97.6° | 171.9° |
| C30 | C29 | C34 | C54 | 138.4° | 41.8° |
| C30 | C29 | C34 | H29 | 20.1° | 73.0° |
| C29 | C30 | C44 | H42 | 56.9° | 60.0° |
| C29 | C30 | C44 | H43 | 63.1° | 179.9° |
| C29 | C30 | C44 | H44 | 176.9° | 60.0° |
| C29 | C30 | C53 | H54 | 16.5° | 18.1° |
| C29 | C30 | C53 | H55 | 101.4° | 100.8° |
| O22 | C20 | C21 | H14 | 162.8° | 124.7° |
| O22 | C20 | C21 | H15 | 77.2° | 115.3° |
| O19 | C20 | C21 | H14 | 16.9° | 55.3° |
| O19 | C20 | C21 | H15 | 103.1° | 64.7° |
| C20 | O19 | C35 | H30 | 1.5° | 161.8° |
| C4 | C3 | O63 | H25 | 118.1° | 120.2° |
| C3 | C4 | C5 | O62 | 119.3° | 120.0° |
| C3 | C4 | C5 | H2 | 119.9° | 120.0° |
| C3 | C4 | C5 | O52 | 166.3° | 177.6° |
| C3 | C4 | O62 | H2 | 120.0° | 120.2° |
| C4 | C3 | O63 | C66 | 110.8° | 150.4° |
| C3 | C4 | O62 | C67 | 108.6° | 150.2° |
| C4 | C3 | C2 | H1 | 130.8° | 63.0° |
| C3 | C4 | C5 | H3 | 45.3° | 62.4° |
| O63 | C3 | C4 | C5 | 82.3° | 62.9° |
| O63 | C3 | C4 | O62 | 38.0° | 57.0° |
| O63 | C3 | C2 | H1 | 107.3° | 177.1° |
| O63 | C3 | C4 | H2 | 158.2° | 177.2° |
| C3 | O63 | C66 | H71 | 180.0° | 180.0° |
| C3 | O63 | C66 | H72 | 60.0° | 60.0° |
| C3 | O63 | C66 | H73 | 60.0° | 60.0° |
| O13 | C14 | C15 | H7 | 122.3° | 120.0° |
| C14 | O13 | C18 | O47 | 175.0° | 178.9° |
| O13 | C14 | C15 | C16 | 25.2° | 57.6° |
| C14 | O13 | C18 | C17 | 57.3° | 61.2° |
| O13 | C14 | C15 | H8 | 145.9° | 62.3° |
| O13 | C14 | C15 | H9 | 95.4° | 177.5° |
| C14 | O13 | C18 | H13 | 64.8° | 58.8° |
| O13 | C14 | C56 | H59 | 180.0° | 59.9° |
| O13 | C14 | C56 | H60 | 60.0° | 60.0° |
| O13 | C14 | C56 | H61 | 60.0° | 179.9° |
| C18 | O13 | C14 | C15 | 27.8° | 61.1° |
| O13 | C18 | O47 | C29 | 69.2° | 74.3° |
| O13 | C18 | O47 | C17 | 122.2° | 120.0° |
| O13 | C18 | O47 | H13 | 119.4° | 120.0° |
| O13 | C18 | C17 | H13 | 122.7° | 120.0° |
| O13 | C18 | C17 | C16 | 31.7° | 57.6° |
| O13 | C18 | C17 | O57 | 156.7° | 177.5° |
| C18 | O13 | C14 | H7 | 94.1° | 58.8° |
| O13 | C18 | C17 | H12 | 86.6° | 62.3° |
| C4 | C5 | O52 | H3 | 119.8° | 120.0° |
| C5 | C4 | O62 | H2 | 120.1° | 120.1° |
| C4 | C5 | O52 | C50 | 135.4° | 175.0° |
| C5 | C4 | O62 | C67 | 131.5° | 90.1° |
| C5 | C4 | C3 | H25 | 159.7° | 176.9° |
| O52 | C5 | C4 | O62 | 47.0° | 62.5° |
| C5 | O52 | C50 | C45 | 176.6° | 180.0° |
| O52 | C5 | C4 | H2 | 73.8° | 57.6° |
| C5 | O52 | C50 | H49 | 63.7° | 59.9° |
| C5 | O52 | C50 | H50 | 56.8° | 60.0° |
| C14 | C15 | C16 | H8 | 120.7° | 119.9° |
| C14 | C15 | C16 | H9 | 120.6° | 119.9° |
| C14 | C15 | C16 | C17 | 50.8° | 57.0° |
| C14 | C15 | C16 | N55 | 174.0° | 62.9° |
| C14 | C15 | H8 | H9 | 118.0° | 120.1° |
| C14 | C15 | C16 | H11 | 69.5° | 176.9° |
| C15 | C14 | C56 | H59 | 54.8° | 60.0° |
| C15 | C14 | C56 | H60 | 65.2° | 180.0° |
| C15 | C14 | C56 | H61 | 174.9° | 60.0° |
| O62 | C4 | C5 | H3 | 74.0° | 57.6° |
| O62 | C4 | C3 | H25 | 80.0° | 63.2° |
| C4 | O62 | C67 | H74 | 180.0° | 60.0° |
| C4 | O62 | C67 | H75 | 60.0° | 60.0° |
| C4 | O62 | C67 | H76 | 60.0° | 180.0° |
| C43 | C36 | C37 | H31 | 118.2° | 117.8° |
| C43 | C36 | C37 | O38 | 35.6° | 158.0° |
| C43 | C36 | C37 | C45 | 79.7° | 30.2° |
| C43 | C36 | C35 | H30 | 150.6° | 162.6° |
| C43 | C36 | C37 | H32 | 159.9° | 84.5° |
| C36 | C43 | H39 | H40 | 120.0° | 120.0° |
| C36 | C43 | H39 | H41 | 120.0° | 120.0° |
| C36 | C43 | H40 | H41 | 120.0° | 120.1° |
| C36 | C37 | C45 | C50 | 57.3° | 75.5° |
| C36 | C37 | O38 | C45 | 116.0° | 125.8° |
| C36 | C37 | O38 | H32 | 123.0° | 116.6° |
| C36 | C37 | C45 | H32 | 120.3° | 114.3° |
| C36 | C37 | O38 | C31 | 134.0° | 113.2° |
| C36 | C37 | C45 | C51 | 178.7° | 164.5° |
| C37 | C36 | C35 | H30 | 89.1° | 42.5° |
| C37 | C36 | C43 | H39 | 57.8° | 51.9° |
| C37 | C36 | C43 | H40 | 177.8° | 68.1° |
| C37 | C36 | C43 | H41 | 62.2° | 171.8° |
| C36 | C37 | C45 | H45 | 62.0° | 44.5° |
| C66 | O63 | C3 | H25 | 7.3° | 30.2° |
| O63 | C66 | H71 | H72 | 120.0° | 120.0° |
| O63 | C66 | H71 | H73 | 120.0° | 120.0° |
| O63 | C66 | H72 | H73 | 120.0° | 120.0° |
| O47 | C29 | C34 | H24 | 119.1° | 117.3° |
| C29 | O47 | C18 | C17 | 168.6° | 165.7° |
| O47 | C29 | C34 | C33 | 138.9° | 46.2° |
| O47 | C29 | C34 | C54 | 14.9° | 83.8° |
| C29 | O47 | C18 | H13 | 50.3° | 45.7° |
| O47 | C29 | C30 | H26 | 136.4° | 138.0° |
| O47 | C29 | C34 | H29 | 103.4° | 161.4° |
| C34 | C29 | O47 | C18 | 113.4° | 153.1° |
| C29 | C34 | C33 | C54 | 124.9° | 129.6° |
| C29 | C34 | C33 | H29 | 117.5° | 115.0° |
| C29 | C34 | C54 | H29 | 118.3° | 115.0° |
| C29 | C34 | C33 | O48 | 59.9° | 22.3° |
| C29 | C34 | C33 | C32 | 176.1° | 104.1° |
| C34 | C29 | C30 | H26 | 16.9° | 11.6° |
| C29 | C34 | C33 | H28 | 60.7° | 135.4° |
| C29 | C34 | C54 | H56 | 180.0° | 55.2° |
| C29 | C34 | C54 | H57 | 60.0° | 175.1° |
| C29 | C34 | C54 | H58 | 60.0° | 64.8° |
| O47 | C18 | C17 | H13 | 119.8° | 120.0° |
| O47 | C18 | C17 | C16 | 149.3° | 177.6° |
| O47 | C18 | C17 | O57 | 85.7° | 62.5° |
| O47 | C18 | C17 | H12 | 30.9° | 57.7° |
| C18 | O47 | C29 | H24 | 4.3° | 35.8° |
| O52 | C50 | C45 | H49 | 119.7° | 120.0° |
| O52 | C50 | C45 | H50 | 119.7° | 119.9° |
| O52 | C50 | C45 | C37 | 53.8° | 176.8° |
| O52 | C50 | C45 | C51 | 66.7° | 63.2° |
| C50 | O52 | C5 | H3 | 15.6° | 55.0° |
| O52 | C50 | C45 | H45 | 173.3° | 56.8° |
| O52 | C50 | H49 | H50 | 120.8° | 119.9° |
| C15 | C16 | C17 | C18 | 22.1° | 56.9° |
| C15 | C16 | C17 | N55 | 122.8° | 119.9° |
| C15 | C16 | C17 | H11 | 120.5° | 119.9° |
| C15 | C16 | N55 | H11 | 116.9° | 120.2° |
| C15 | C16 | C17 | O57 | 102.1° | 176.9° |
| C15 | C16 | N55 | O68 | 79.1° | 6.3° |
| C16 | C15 | C14 | H7 | 147.5° | 62.4° |
| C16 | C15 | H8 | H9 | 118.0° | 120.1° |
| C15 | C16 | C17 | H12 | 140.1° | 62.9° |
| C15 | C16 | N55 | H90 | 40.7° | 117.7° |
| C18 | C17 | C16 | O57 | 124.2° | 119.9° |
| C18 | C17 | C16 | H12 | 118.0° | 119.9° |
| C18 | C17 | C16 | N55 | 144.9° | 62.9° |
| C18 | C17 | O57 | H12 | 115.9° | 120.2° |
| C18 | C17 | C16 | H11 | 98.3° | 176.9° |
| C18 | C17 | O57 | H93 | 180.0° | 65.2° |
| C17 | C16 | N55 | H11 | 117.2° | 120.2° |
| C16 | C17 | O57 | H12 | 117.5° | 120.1° |
| C17 | C16 | N55 | O68 | 154.9° | 125.8° |
| C17 | C16 | C15 | H8 | 171.5° | 63.0° |
| C17 | C16 | C15 | H9 | 69.8° | 176.9° |
| C16 | C17 | C18 | H13 | 91.0° | 62.4° |
| C17 | C16 | N55 | H90 | 85.2° | 1.8° |
| C16 | C17 | O57 | H93 | 53.5° | 175.1° |
| N55 | C16 | C17 | O57 | 20.6° | 57.0° |
| C16 | N55 | O68 | H90 | 119.9° | 124.0° |
| C16 | N55 | O68 | C69 | 122.1° | 174.8° |
| N55 | C16 | C15 | H8 | 65.3° | 177.2° |
| N55 | C16 | C15 | H9 | 53.4° | 57.0° |
| N55 | C16 | C17 | H12 | 97.2° | 177.2° |
| C58 | C8 | O7 | C9 | 119.1° | 120.0° |
| C58 | C8 | O7 | H84 | 118.9° | 120.0° |
| C58 | C8 | O7 | C12 | 168.0° | 179.0° |
| C58 | C8 | C9 | H84 | 118.3° | 119.9° |
| C58 | C8 | C9 | O59 | 70.9° | 62.5° |
| C58 | C8 | C9 | C10 | 166.7° | 177.5° |
| C8 | C58 | H62 | H63 | 120.0° | 120.0° |
| C8 | C58 | H62 | H64 | 120.0° | 120.0° |
| C8 | C58 | H63 | H64 | 120.0° | 119.9° |
| C58 | C8 | C9 | H89 | 46.6° | 57.7° |
| O57 | C17 | C16 | H11 | 137.4° | 63.2° |
| O57 | C17 | C18 | H13 | 34.1° | 57.5° |
| C50 | C45 | C37 | O38 | 174.7° | 156.9° |
| C50 | C45 | C37 | C51 | 121.4° | 120.0° |
| C50 | C45 | C37 | H45 | 119.3° | 120.0° |
| C50 | C45 | C51 | H45 | 119.7° | 120.0° |
| C50 | C45 | C37 | H32 | 63.0° | 38.8° |
| C45 | C50 | H49 | H50 | 120.8° | 120.0° |
| C50 | C45 | C51 | H51 | 180.0° | 60.6° |
| C50 | C45 | C51 | H52 | 60.0° | 179.3° |
| C50 | C45 | C51 | H53 | 60.0° | 59.4° |
| O68 | N55 | C16 | H11 | 37.8° | 114.0° |
| N55 | O68 | C69 | H77 | 180.0° | 65.0° |
| N55 | O68 | C69 | H78 | 60.0° | 54.9° |
| N55 | O68 | C69 | H79 | 60.0° | 175.0° |
| O68 | C69 | H77 | H78 | 120.0° | 119.9° |
| O68 | C69 | H77 | H79 | 120.0° | 120.1° |
| O68 | C69 | H78 | H79 | 119.9° | 120.1° |
| C69 | O68 | N55 | H90 | 2.2° | 61.1° |
| O38 | C37 | C45 | H32 | 122.2° | 118.2° |
| O38 | C37 | C45 | C51 | 63.9° | 36.9° |
| C37 | O38 | C31 | O40 | 15.9° | 31.5° |
| C37 | O38 | C31 | C32 | 162.7° | 149.3° |
| O38 | C37 | C36 | H31 | 153.8° | 84.2° |
| O38 | C37 | C45 | H45 | 55.4° | 83.1° |
| C45 | C37 | O38 | C31 | 110.0° | 12.6° |
| C37 | C45 | C51 | H45 | 119.2° | 120.0° |
| C45 | C37 | C36 | H31 | 38.5° | 148.0° |
| C37 | C45 | C50 | H49 | 173.6° | 63.2° |
| C37 | C45 | C50 | H50 | 65.9° | 56.8° |
| C37 | C45 | C51 | H51 | 58.9° | 179.4° |
| C37 | C45 | C51 | H52 | 61.1° | 59.4° |
| C37 | C45 | C51 | H53 | 178.9° | 60.6° |
| O7 | C8 | C9 | H84 | 122.3° | 120.0° |
| C8 | O7 | C12 | O48 | 64.4° | 58.9° |
| C8 | O7 | C12 | C11 | 55.2° | 61.1° |
| O7 | C8 | C9 | O59 | 169.7° | 177.5° |
| O7 | C8 | C9 | C10 | 47.3° | 57.5° |
| C8 | O7 | C12 | H6 | 174.8° | 178.9° |
| O7 | C8 | C58 | H62 | 180.0° | 179.9° |
| O7 | C8 | C58 | H63 | 60.0° | 60.1° |
| O7 | C8 | C58 | H64 | 60.0° | 59.9° |
| O7 | C8 | C9 | H89 | 72.8° | 62.3° |
| C12 | O7 | C8 | C9 | 48.9° | 61.1° |
| O7 | C12 | O48 | C33 | 109.2° | 61.1° |
| O7 | C12 | O48 | C11 | 121.4° | 120.0° |
| O7 | C12 | O48 | H6 | 120.3° | 120.0° |
| O7 | C12 | C11 | H6 | 120.0° | 120.0° |
| O7 | C12 | C11 | C10 | 59.9° | 57.6° |
| O7 | C12 | C11 | H4 | 60.1° | 177.5° |
| O7 | C12 | C11 | H5 | 180.0° | 62.4° |
| C12 | O7 | C8 | H84 | 73.1° | 58.9° |
| C67 | O62 | C4 | H2 | 11.4° | 29.9° |
| O62 | C67 | H74 | H75 | 120.0° | 120.0° |
| O62 | C67 | H74 | H76 | 120.0° | 120.0° |
| O62 | C67 | H75 | H76 | 120.0° | 120.0° |
| C33 | C34 | C54 | H29 | 117.7° | 115.8° |
| C34 | C33 | O48 | C32 | 118.7° | 131.0° |
| C34 | C33 | O48 | H28 | 119.9° | 114.2° |
| C34 | C33 | C32 | H28 | 115.5° | 120.1° |
| C34 | C33 | O48 | C12 | 136.6° | 151.5° |
| C34 | C33 | C32 | C31 | 105.3° | 41.0° |
| C34 | C33 | C32 | C46 | 130.7° | 87.1° |
| C33 | C34 | C29 | H24 | 19.8° | 71.0° |
| C34 | C33 | C32 | H27 | 10.9° | 158.4° |
| C33 | C34 | C54 | H56 | 56.0° | 74.1° |
| C33 | C34 | C54 | H57 | 176.0° | 45.8° |
| C33 | C34 | C54 | H58 | 64.0° | 165.9° |
| C54 | C34 | C33 | O48 | 65.1° | 151.9° |
| C54 | C34 | C33 | C32 | 58.9° | 25.5° |
| C54 | C34 | C29 | H24 | 104.2° | 158.9° |
| C54 | C34 | C33 | H28 | 174.3° | 95.0° |
| C34 | C54 | H56 | H57 | 120.0° | 119.9° |
| C34 | C54 | H56 | H58 | 120.0° | 120.1° |
| C34 | C54 | H57 | H58 | 120.0° | 120.1° |
| C8 | C9 | O59 | C10 | 123.3° | 119.8° |
| C8 | C9 | O59 | H89 | 116.8° | 120.2° |
| C8 | C9 | C10 | H89 | 119.8° | 119.9° |
| C8 | C9 | C10 | C11 | 52.5° | 57.0° |
| C8 | C9 | C10 | O60 | 67.4° | 62.9° |
| C8 | C9 | C10 | C61 | 173.5° | 176.9° |
| C9 | C8 | C58 | H62 | 57.3° | 60.0° |
| C9 | C8 | C58 | H63 | 177.3° | 180.0° |
| C9 | C8 | C58 | H64 | 62.7° | 60.1° |
| C8 | C9 | O59 | H94 | 180.0° | 60.0° |
| O48 | C33 | C32 | H28 | 122.2° | 113.3° |
| C33 | O48 | C12 | C11 | 129.4° | 179.0° |
| O48 | C33 | C32 | C31 | 132.4° | 85.6° |
| O48 | C33 | C32 | C46 | 8.4° | 146.4° |
| C33 | O48 | C12 | H6 | 11.1° | 58.9° |
| O48 | C33 | C32 | H27 | 111.3° | 31.8° |
| O48 | C33 | C34 | H29 | 177.4° | 92.6° |
| C33 | C32 | C31 | O38 | 105.8° | 115.0° |
| C32 | C33 | O48 | C12 | 104.7° | 77.6° |
| C33 | C32 | C31 | O40 | 72.9° | 64.3° |
| C33 | C32 | C31 | C46 | 125.7° | 128.4° |
| C33 | C32 | C31 | H27 | 116.3° | 117.8° |
| C33 | C32 | C46 | H27 | 119.6° | 115.4° |
| C32 | C33 | C34 | H29 | 58.6° | 140.9° |
| C33 | C32 | C46 | H46 | 180.0° | 169.7° |
| C33 | C32 | C46 | H47 | 60.0° | 49.7° |
| C33 | C32 | C46 | H48 | 60.0° | 70.2° |
| O38 | C31 | O40 | C32 | 178.6° | 179.3° |
| O38 | C31 | C32 | C46 | 128.5° | 13.4° |
| O38 | C31 | C32 | H27 | 10.5° | 127.2° |
| C31 | O38 | C37 | H32 | 11.0° | 130.2° |
| C51 | C45 | C37 | H32 | 58.3° | 81.2° |
| C51 | C45 | C50 | H49 | 53.0° | 56.8° |
| C51 | C45 | C50 | H50 | 173.5° | 176.8° |
| C45 | C51 | H51 | H52 | 120.0° | 120.0° |
| C45 | C51 | H51 | H53 | 120.0° | 120.0° |
| C45 | C51 | H52 | H53 | 120.0° | 120.0° |
| O48 | C12 | C11 | H6 | 119.2° | 120.1° |
| O48 | C12 | C11 | C10 | 60.9° | 62.4° |
| O48 | C12 | C11 | H4 | 179.1° | 57.5° |
| O48 | C12 | C11 | H5 | 59.1° | 177.7° |
| C12 | O48 | C33 | H28 | 16.7° | 37.3° |
| C12 | C11 | C10 | C9 | 58.4° | 57.0° |
| C12 | C11 | C10 | H4 | 120.0° | 119.9° |
| C12 | C11 | C10 | H5 | 120.0° | 120.0° |
| C12 | C11 | C10 | O60 | 62.6° | 62.9° |
| C12 | C11 | C10 | C61 | 179.7° | 176.9° |
| C12 | C11 | H4 | H5 | 120.0° | 120.2° |
| O40 | C31 | C32 | C46 | 52.8° | 167.3° |
| O40 | C31 | C32 | H27 | 170.9° | 53.5° |
| C31 | C32 | C46 | H27 | 117.8° | 114.3° |
| C31 | C32 | C33 | H28 | 10.2° | 161.1° |
| C31 | C32 | C46 | H46 | 57.3° | 60.0° |
| C31 | C32 | C46 | H47 | 177.3° | 180.0° |
| C31 | C32 | C46 | H48 | 62.7° | 60.0° |
| C46 | C32 | C33 | H28 | 113.8° | 33.1° |
| C32 | C46 | H46 | H47 | 120.0° | 120.1° |
| C32 | C46 | H46 | H48 | 120.0° | 120.0° |
| C32 | C46 | H47 | H48 | 120.0° | 120.0° |
| O59 | C9 | C10 | H89 | 120.1° | 120.1° |
| O59 | C9 | C10 | C11 | 172.7° | 177.0° |
| O59 | C9 | C10 | O60 | 52.8° | 57.1° |
| O59 | C9 | C10 | C61 | 66.3° | 63.1° |
| O59 | C9 | C8 | H84 | 47.4° | 57.5° |
| C9 | C10 | C11 | O60 | 121.0° | 119.9° |
| C9 | C10 | C11 | C61 | 121.3° | 119.9° |
| C9 | C10 | O60 | C61 | 120.0° | 120.2° |
| C9 | C10 | C11 | H4 | 61.6° | 176.9° |
| C9 | C10 | C11 | H5 | 178.4° | 63.0° |
| C9 | C10 | C61 | H65 | 180.0° | 55.2° |
| C9 | C10 | C61 | H66 | 60.0° | 64.7° |
| C9 | C10 | C61 | H67 | 60.0° | 175.2° |
| C10 | C9 | C8 | H84 | 75.0° | 62.5° |
| C10 | C9 | O59 | H94 | 56.7° | 179.7° |
| C9 | C10 | O60 | H95 | 180.0° | 175.1° |
| C11 | C10 | O60 | C61 | 118.2° | 120.2° |
| C10 | C11 | H4 | H5 | 120.0° | 120.1° |
| C10 | C11 | C12 | H6 | 179.9° | 177.6° |
| C11 | C10 | C61 | H65 | 57.7° | 174.9° |
| C11 | C10 | C61 | H66 | 177.7° | 54.9° |
| C11 | C10 | C61 | H67 | 62.3° | 65.1° |
| C11 | C10 | C9 | H89 | 67.3° | 62.9° |
| C11 | C10 | O60 | H95 | 58.2° | 65.3° |
| O60 | C10 | C11 | H4 | 177.4° | 57.0° |
| O60 | C10 | C11 | H5 | 57.4° | 177.1° |
| O60 | C10 | C61 | H65 | 59.8° | 64.9° |
| O60 | C10 | C61 | H66 | 60.2° | 175.1° |
| O60 | C10 | C61 | H67 | 179.8° | 55.1° |
| O60 | C10 | C9 | H89 | 172.9° | 177.2° |
| C61 | C10 | C11 | H4 | 59.7° | 63.2° |
| C61 | C10 | C11 | H5 | 60.3° | 57.0° |
| C10 | C61 | H65 | H66 | 120.0° | 120.0° |
| C10 | C61 | H65 | H67 | 120.0° | 120.0° |
| C10 | C61 | H66 | H67 | 120.0° | 120.0° |
| C61 | C10 | C9 | H89 | 53.7° | 57.0° |
| C61 | C10 | O60 | H95 | 60.0° | 54.9° |
| H1 | C2 | C1 | H10 | 85.1° | 177.7° |
| H1 | C2 | C3 | H25 | 11.3° | 56.9° |
| H1 | C2 | O64 | H96 | 66.1° | 59.9° |
| H2 | C4 | C5 | H3 | 165.1° | 177.6° |
| H2 | C4 | C3 | H25 | 40.2° | 56.9° |
| H4 | C11 | C12 | H6 | 59.9° | 62.5° |
| H5 | C11 | C12 | H6 | 60.1° | 57.6° |
| H7 | C14 | C15 | H8 | 91.9° | 177.7° |
| H7 | C14 | C15 | H9 | 26.9° | 57.5° |
| H7 | C14 | C56 | H59 | 62.6° | 180.0° |
| H7 | C14 | C56 | H60 | 177.3° | 60.1° |
| H7 | C14 | C56 | H61 | 57.4° | 60.0° |
| H8 | C15 | C16 | H11 | 51.1° | 57.0° |
| H9 | C15 | C16 | H11 | 169.8° | 63.2° |
| H10 | C1 | C65 | H68 | 66.5° | 179.9° |
| H10 | C1 | C65 | H69 | 53.5° | 60.0° |
| H10 | C1 | C65 | H70 | 173.5° | 60.1° |
| H11 | C16 | C17 | H12 | 19.6° | 57.0° |
| H11 | C16 | N55 | H90 | 157.6° | 122.0° |
| H12 | C17 | C18 | H13 | 150.7° | 177.7° |
| H12 | C17 | O57 | H93 | 64.1° | 54.9° |
| H14 | C21 | C23 | H16 | 156.8° | 174.6° |
| H15 | C21 | C23 | H16 | 83.3° | 65.4° |
| H16 | C23 | C24 | H17 | 63.5° | 175.3° |
| H16 | C23 | C24 | H18 | 56.5° | 55.3° |
| H16 | C23 | C24 | H19 | 176.5° | 64.8° |
| H16 | C23 | C25 | H20 | 62.5° | 55.0° |
| H16 | C23 | C25 | H21 | 57.5° | 65.0° |
| H16 | C23 | C25 | H22 | 177.5° | 175.1° |
| H17 | C24 | H18 | H19 | 120.0° | 120.0° |
| H20 | C25 | H21 | H22 | 120.0° | 120.0° |
| H23 | C26 | C35 | H30 | 151.5° | 177.6° |
| H23 | C26 | C41 | H33 | 61.3° | 171.5° |
| H23 | C26 | C41 | H34 | 178.7° | 68.5° |
| H23 | C26 | C41 | H35 | 58.7° | 51.5° |
| H24 | C29 | C30 | H26 | 100.5° | 106.0° |
| H24 | C29 | C34 | H29 | 137.4° | 44.1° |
| H26 | C30 | C44 | H42 | 62.5° | 179.5° |
| H26 | C30 | C44 | H43 | 177.5° | 60.4° |
| H26 | C30 | C44 | H44 | 57.5° | 59.5° |
| H26 | C30 | C53 | H54 | 104.7° | 105.9° |
| H26 | C30 | C53 | H55 | 137.5° | 135.2° |
| H27 | C32 | C33 | H28 | 126.5° | 81.5° |
| H27 | C32 | C46 | H46 | 60.5° | 54.3° |
| H27 | C32 | C46 | H47 | 59.6° | 65.7° |
| H27 | C32 | C46 | H48 | 179.5° | 174.3° |
| H28 | C33 | C34 | H29 | 56.8° | 20.5° |
| H29 | C34 | C54 | H56 | 61.7° | 170.1° |
| H29 | C34 | C54 | H57 | 58.3° | 70.0° |
| H29 | C34 | C54 | H58 | 178.3° | 50.1° |
| H30 | C35 | C36 | H31 | 30.6° | 77.7° |
| H31 | C36 | C37 | H32 | 81.9° | 33.3° |
| H31 | C36 | C43 | H39 | 60.2° | 169.4° |
| H31 | C36 | C43 | H40 | 59.8° | 49.4° |
| H31 | C36 | C43 | H41 | 179.8° | 70.6° |
| H32 | C37 | C45 | H45 | 177.7° | 158.8° |
| H33 | C41 | H34 | H35 | 120.0° | 120.0° |
| H36 | C42 | H37 | H38 | 120.0° | 120.0° |
| H39 | C43 | H40 | H41 | 120.0° | 119.9° |
| H42 | C44 | H43 | H44 | 120.0° | 120.0° |
| H45 | C45 | C50 | H49 | 67.0° | 176.8° |
| H45 | C45 | C50 | H50 | 53.6° | 63.2° |
| H45 | C45 | C51 | H51 | 60.3° | 59.4° |
| H45 | C45 | C51 | H52 | 179.7° | 60.7° |
| H45 | C45 | C51 | H53 | 59.7° | 179.4° |
| H46 | C46 | H47 | H48 | 120.0° | 119.9° |
| H51 | C51 | H52 | H53 | 120.0° | 120.0° |
| H56 | C54 | H57 | H58 | 120.0° | 120.0° |
| H59 | C56 | H60 | H61 | 120.0° | 120.0° |
| H62 | C58 | H63 | H64 | 120.0° | 120.0° |
| H62 | C58 | C8 | H84 | 60.8° | 60.0° |
| H63 | C58 | C8 | H84 | 59.2° | 60.0° |
| H64 | C58 | C8 | H84 | 179.2° | 180.0° |
| H65 | C61 | H66 | H67 | 120.0° | 120.0° |
| H68 | C65 | H69 | H70 | 120.0° | 120.0° |
| H71 | C66 | H72 | H73 | 120.0° | 120.0° |
| H74 | C67 | H75 | H76 | 120.0° | 120.0° |
| H77 | C69 | H78 | H79 | 120.0° | 120.0° |
| H80 | C73 | C74 | H81 | 1.4° | 0.0° |
| H81 | C74 | C75 | H82 | 0.8° | 0.0° |
| H82 | C75 | C76 | H83 | 0.2° | 0.3° |
| H84 | C8 | C9 | H89 | 164.9° | 177.6° |
| H85 | C82 | C83 | H87 | 176.3° | 60.1° |
| H85 | C82 | C83 | H88 | 63.5° | 180.0° |
| H85 | C82 | N80 | H91 | 88.8° | 138.0° |
| H86 | C82 | C83 | H87 | 57.6° | 180.0° |
| H86 | C82 | C83 | H88 | 177.8° | 60.1° |
| H86 | C82 | N80 | H91 | 152.5° | 102.0° |
| H87 | C83 | N84 | H92 | 27.5° | 120.0° |
| H88 | C83 | N84 | H92 | 147.7° | 120.0° |
| H89 | C9 | O59 | H94 | 63.2° | 60.2° |
