ZMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | O33 | sing | 1.43Å | 1.40Å | |
| C49 | C48 | doub | 1.37Å | 1.39Å | Aromatic |
| C49 | C50 | sing | 1.39Å | 1.38Å | Aromatic |
| C48 | C47 | sing | 1.40Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C34 | O33 | sing | 1.43Å | 1.40Å | |
| C31 | O30 | sing | 1.43Å | 1.40Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.49Å | |
| C43 | N38 | sing | 1.47Å | 1.49Å | |
| N51 | C50 | sing | 1.39Å | 1.46Å | |
| N51 | C52 | sing | 1.39Å | 1.43Å | |
| C50 | C75 | doub | 1.39Å | 1.39Å | Aromatic |
| N74 | C52 | doub | 1.32Å | 1.32Å | Aromatic |
| N74 | C73 | sing | 1.33Å | 1.31Å | Aromatic |
| O46 | C45 | doub | 1.22Å | 1.18Å | |
| O30 | C29 | sing | 1.43Å | 1.41Å | |
| C47 | C45 | sing | 1.47Å | 1.54Å | |
| C47 | C76 | doub | 1.40Å | 1.39Å | Aromatic |
| C45 | N44 | sing | 1.35Å | 1.47Å | |
| C36 | N38 | sing | 1.35Å | 1.46Å | |
| C36 | O37 | doub | 1.21Å | 1.19Å | |
| C52 | N53 | sing | 1.32Å | 1.32Å | Aromatic |
| N44 | C41 | sing | 1.46Å | 1.46Å | |
| N38 | C39 | sing | 1.47Å | 1.50Å | |
| O24 | C23 | sing | 1.43Å | 1.41Å | |
| O24 | C25 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C41 | C40 | sing | 1.53Å | 1.49Å | |
| C73 | C71 | doub | 1.38Å | 1.39Å | Aromatic |
| C75 | C76 | sing | 1.38Å | 1.40Å | Aromatic |
| C76 | F77 | sing | 1.35Å | 1.36Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| O21 | C20 | doub | 1.21Å | 1.19Å | |
| N53 | C54 | doub | 1.33Å | 1.32Å | Aromatic |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C71 | C54 | sing | 1.40Å | 1.38Å | Aromatic |
| C71 | C72 | sing | 1.51Å | 1.54Å | |
| O27 | C28 | sing | 1.43Å | 1.40Å | |
| O27 | C26 | sing | 1.43Å | 1.40Å | |
| C22 | C20 | sing | 1.51Å | 1.53Å | |
| O65 | S63 | doub | 1.42Å | 1.48Å | |
| C20 | N17 | sing | 1.35Å | 1.45Å | |
| C54 | N55 | sing | 1.39Å | 1.45Å | |
| O64 | S63 | doub | 1.42Å | 1.46Å | |
| S63 | N62 | sing | 1.66Å | 1.70Å | |
| S63 | C66 | sing | 1.81Å | 1.83Å | |
| C67 | C66 | sing | 1.53Å | 1.53Å | |
| N17 | C18 | sing | 1.47Å | 1.50Å | |
| N17 | C16 | sing | 1.47Å | 1.49Å | |
| N55 | C56 | sing | 1.40Å | 1.46Å | |
| C70 | C56 | doub | 1.39Å | 1.40Å | Aromatic |
| C70 | C61 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| N62 | C61 | sing | 1.40Å | 1.44Å | |
| C66 | C68 | sing | 1.53Å | 1.52Å | |
| C66 | C69 | sing | 1.53Å | 1.52Å | |
| C56 | C57 | sing | 1.39Å | 1.39Å | Aromatic |
| C61 | C59 | doub | 1.39Å | 1.38Å | Aromatic |
| CL96 | C95 | sing | 1.74Å | 1.78Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C19 | C14 | sing | 1.53Å | 1.47Å | |
| C94 | C91 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.47Å | |
| C57 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C59 | C58 | sing | 1.38Å | 1.38Å | Aromatic |
| C59 | CL60 | sing | 1.74Å | 1.77Å | |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| C95 | C97 | doub | 1.38Å | 1.38Å | Aromatic |
| C95 | C86 | sing | 1.39Å | 1.38Å | Aromatic |
| C97 | C98 | sing | 1.38Å | 1.38Å | Aromatic |
| C91 | C93 | sing | 1.53Å | 1.53Å | |
| C91 | C92 | sing | 1.53Å | 1.53Å | |
| C91 | S88 | sing | 1.81Å | 1.81Å | |
| N87 | C86 | sing | 1.40Å | 1.45Å | |
| N87 | S88 | sing | 1.66Å | 1.71Å | |
| N13 | C11 | sing | 1.35Å | 1.45Å | |
| C86 | C85 | doub | 1.39Å | 1.39Å | Aromatic |
| O90 | S88 | doub | 1.42Å | 1.47Å | |
| C98 | C84 | doub | 1.39Å | 1.38Å | Aromatic |
| S88 | O89 | doub | 1.42Å | 1.46Å | |
| F79 | C78 | sing | 1.35Å | 1.37Å | |
| C11 | O12 | doub | 1.22Å | 1.20Å | |
| C11 | C10 | sing | 1.47Å | 1.54Å | |
| C85 | C84 | sing | 1.39Å | 1.40Å | Aromatic |
| C84 | N83 | sing | 1.40Å | 1.47Å | |
| C78 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C78 | C80 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| N83 | C82 | sing | 1.39Å | 1.45Å | |
| C80 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.37Å | 1.39Å | Aromatic |
| C82 | N81 | doub | 1.33Å | 1.32Å | Aromatic |
| C82 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| N81 | C05 | sing | 1.32Å | 1.32Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | N06 | sing | 1.39Å | 1.45Å | |
| C05 | N06 | sing | 1.39Å | 1.44Å | |
| C05 | N04 | doub | 1.33Å | 1.32Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| N04 | C03 | sing | 1.32Å | 1.32Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H44 | sing | 1.09Å | 1.10Å | |
| C48 | H45 | sing | 1.08Å | 1.08Å | |
| C49 | H46 | sing | 1.08Å | 1.08Å | |
| C57 | H47 | sing | 1.08Å | 1.08Å | |
| C58 | H48 | sing | 1.08Å | 1.08Å | |
| C67 | H49 | sing | 1.09Å | 1.10Å | |
| C67 | H50 | sing | 1.09Å | 1.10Å | |
| C67 | H51 | sing | 1.09Å | 1.10Å | |
| C68 | H52 | sing | 1.09Å | 1.10Å | |
| C68 | H53 | sing | 1.09Å | 1.10Å | |
| C68 | H54 | sing | 1.09Å | 1.10Å | |
| C69 | H55 | sing | 1.09Å | 1.10Å | |
| C69 | H56 | sing | 1.09Å | 1.10Å | |
| C69 | H57 | sing | 1.09Å | 1.10Å | |
| C70 | H58 | sing | 1.08Å | 1.08Å | |
| C72 | H59 | sing | 1.09Å | 1.10Å | |
| C72 | H60 | sing | 1.09Å | 1.10Å | |
| C72 | H61 | sing | 1.09Å | 1.10Å | |
| C73 | H62 | sing | 1.08Å | 1.08Å | |
| C75 | H63 | sing | 1.08Å | 1.08Å | |
| C80 | H64 | sing | 1.08Å | 1.08Å | |
| C85 | H65 | sing | 1.08Å | 1.08Å | |
| C92 | H66 | sing | 1.09Å | 1.10Å | |
| C92 | H67 | sing | 1.09Å | 1.10Å | |
| C92 | H68 | sing | 1.09Å | 1.10Å | |
| C93 | H69 | sing | 1.09Å | 1.10Å | |
| C93 | H70 | sing | 1.09Å | 1.10Å | |
| C93 | H71 | sing | 1.09Å | 1.10Å | |
| C94 | H72 | sing | 1.09Å | 1.10Å | |
| C94 | H73 | sing | 1.09Å | 1.10Å | |
| C94 | H74 | sing | 1.09Å | 1.10Å | |
| C97 | H75 | sing | 1.08Å | 1.08Å | |
| C98 | H76 | sing | 1.08Å | 1.08Å | |
| N06 | H77 | sing | 0.97Å | 1.00Å | |
| N13 | H78 | sing | 0.97Å | 1.00Å | |
| N44 | H79 | sing | 0.97Å | 1.00Å | |
| N51 | H80 | sing | 0.97Å | 1.00Å | |
| N55 | H81 | sing | 0.97Å | 1.00Å | |
| N62 | H82 | sing | 0.97Å | 1.00Å | |
| N83 | H83 | sing | 0.97Å | 1.00Å | |
| N87 | H84 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | O33 | 109.0° | 109.4° |
| C32 | C31 | O30 | 109.2° | 109.5° |
| C32 | C31 | H28 | 109.6° | 109.4° |
| C32 | C31 | H29 | 109.6° | 109.5° |
| C31 | C32 | H30 | 109.6° | 109.5° |
| C31 | C32 | H31 | 109.6° | 109.5° |
| C32 | O33 | C34 | 115.0° | 113.9° |
| O33 | C32 | H30 | 109.6° | 109.5° |
| O33 | C32 | H31 | 109.6° | 109.5° |
| C48 | C49 | C50 | 120.5° | 120.3° |
| C49 | C48 | C47 | 119.1° | 120.1° |
| C49 | C48 | H45 | 120.4° | 119.9° |
| C48 | C49 | H46 | 119.7° | 119.9° |
| C49 | C50 | N51 | 115.7° | 119.9° |
| C49 | C50 | C75 | 120.8° | 120.2° |
| C50 | C49 | H46 | 119.8° | 119.8° |
| C48 | C47 | C45 | 119.2° | 120.1° |
| C48 | C47 | C76 | 120.4° | 119.8° |
| C47 | C48 | H45 | 120.5° | 119.9° |
| C34 | C35 | C36 | 113.3° | 109.5° |
| C35 | C34 | O33 | 109.3° | 109.4° |
| C35 | C34 | H32 | 109.5° | 109.4° |
| C35 | C34 | H33 | 109.5° | 109.4° |
| C34 | C35 | H34 | 108.5° | 109.4° |
| C34 | C35 | H35 | 108.5° | 109.5° |
| C35 | C36 | N38 | 119.2° | 120.0° |
| C35 | C36 | O37 | 120.2° | 120.0° |
| C36 | C35 | H34 | 108.5° | 109.5° |
| C36 | C35 | H35 | 108.5° | 109.5° |
| O33 | C34 | H32 | 109.5° | 109.5° |
| O33 | C34 | H33 | 109.5° | 109.5° |
| C31 | O30 | C29 | 114.8° | 114.0° |
| O30 | C31 | H28 | 109.5° | 109.5° |
| O30 | C31 | H29 | 109.5° | 109.5° |
| C43 | C42 | C41 | 115.0° | 109.3° |
| C42 | C43 | N38 | 110.9° | 108.9° |
| C43 | C42 | H41 | 108.1° | 109.5° |
| C43 | C42 | H42 | 108.1° | 109.5° |
| C42 | C43 | H43 | 109.1° | 109.6° |
| C42 | C43 | H44 | 109.1° | 109.6° |
| C42 | C41 | N44 | 107.8° | 109.5° |
| C42 | C41 | C40 | 115.1° | 109.5° |
| C42 | C41 | H40 | 108.3° | 109.5° |
| C41 | C42 | H41 | 108.1° | 109.5° |
| C41 | C42 | H42 | 108.1° | 109.4° |
| C43 | N38 | C36 | 124.0° | 120.6° |
| C43 | N38 | C39 | 110.5° | 118.7° |
| N38 | C43 | H43 | 109.1° | 109.4° |
| N38 | C43 | H44 | 109.1° | 109.6° |
| C50 | N51 | C52 | 128.8° | 120.0° |
| N51 | C50 | C75 | 123.5° | 119.9° |
| C50 | N51 | H80 | 115.6° | 120.0° |
| N51 | C52 | N74 | 115.9° | 119.2° |
| N51 | C52 | N53 | 121.4° | 119.2° |
| C52 | N51 | H80 | 115.6° | 120.0° |
| C50 | C75 | C76 | 118.5° | 119.9° |
| C50 | C75 | H63 | 120.8° | 120.0° |
| C52 | N74 | C73 | 120.1° | 120.9° |
| N74 | C52 | N53 | 122.7° | 121.7° |
| N74 | C73 | C71 | 120.3° | 119.3° |
| N74 | C73 | H62 | 119.8° | 120.4° |
| O46 | C45 | C47 | 124.4° | 120.1° |
| O46 | C45 | N44 | 121.4° | 120.0° |
| O30 | C29 | C28 | 111.9° | 109.5° |
| O30 | C29 | H26 | 108.8° | 109.5° |
| O30 | C29 | H27 | 108.9° | 109.4° |
| C45 | C47 | C76 | 120.2° | 120.1° |
| C47 | C45 | N44 | 114.0° | 120.0° |
| C47 | C76 | C75 | 120.7° | 119.7° |
| C47 | C76 | F77 | 119.6° | 120.1° |
| C45 | N44 | C41 | 123.1° | 120.0° |
| C45 | N44 | H79 | 118.5° | 120.0° |
| N38 | C36 | O37 | 120.6° | 120.0° |
| C36 | N38 | C39 | 125.5° | 120.7° |
| C52 | N53 | C54 | 119.2° | 120.6° |
| N44 | C41 | C40 | 108.4° | 109.4° |
| N44 | C41 | H40 | 108.7° | 109.5° |
| C41 | N44 | H79 | 118.4° | 120.1° |
| N38 | C39 | C40 | 115.0° | 108.9° |
| N38 | C39 | H36 | 108.1° | 109.6° |
| N38 | C39 | H37 | 108.1° | 109.6° |
| C23 | O24 | C25 | 114.2° | 114.0° |
| O24 | C23 | C22 | 110.0° | 109.5° |
| O24 | C23 | H22 | 109.3° | 109.5° |
| O24 | C23 | H23 | 109.3° | 109.4° |
| O24 | C25 | C26 | 111.1° | 109.4° |
| O24 | C25 | H24 | 109.0° | 109.5° |
| O24 | C25 | H25 | 109.1° | 109.5° |
| C23 | C22 | C20 | 112.5° | 109.5° |
| C23 | C22 | H3 | 108.7° | 109.5° |
| C23 | C22 | H4 | 108.7° | 109.4° |
| C22 | C23 | H22 | 109.4° | 109.5° |
| C22 | C23 | H23 | 109.3° | 109.4° |
| C41 | C40 | C39 | 115.7° | 109.3° |
| C41 | C40 | H38 | 107.9° | 109.5° |
| C41 | C40 | H39 | 107.9° | 109.5° |
| C40 | C41 | H40 | 108.4° | 109.4° |
| C73 | C71 | C54 | 116.8° | 118.5° |
| C73 | C71 | C72 | 120.2° | 120.7° |
| C71 | C73 | H62 | 119.8° | 120.4° |
| C75 | C76 | F77 | 119.7° | 120.1° |
| C76 | C75 | H63 | 120.8° | 120.1° |
| C29 | C28 | O27 | 107.4° | 109.5° |
| C29 | C28 | H7 | 110.0° | 109.4° |
| C29 | C28 | H8 | 110.0° | 109.5° |
| C28 | C29 | H26 | 108.9° | 109.5° |
| C28 | C29 | H27 | 108.9° | 109.5° |
| C25 | C26 | O27 | 109.3° | 109.5° |
| C25 | C26 | H5 | 109.5° | 109.5° |
| C25 | C26 | H6 | 109.5° | 109.5° |
| C26 | C25 | H24 | 109.1° | 109.4° |
| C26 | C25 | H25 | 109.0° | 109.5° |
| O21 | C20 | C22 | 119.4° | 120.0° |
| O21 | C20 | N17 | 119.6° | 120.0° |
| N53 | C54 | C71 | 120.9° | 119.0° |
| N53 | C54 | N55 | 122.2° | 120.5° |
| C40 | C39 | H36 | 108.1° | 109.6° |
| C40 | C39 | H37 | 108.1° | 109.5° |
| C39 | C40 | H38 | 107.9° | 109.5° |
| C39 | C40 | H39 | 107.9° | 109.5° |
| C54 | C71 | C72 | 123.0° | 120.7° |
| C71 | C54 | N55 | 116.9° | 120.5° |
| C71 | C72 | H59 | 109.5° | 109.5° |
| C71 | C72 | H60 | 109.5° | 109.5° |
| C71 | C72 | H61 | 109.5° | 109.5° |
| C28 | O27 | C26 | 112.1° | 114.0° |
| O27 | C28 | H7 | 110.0° | 109.5° |
| O27 | C28 | H8 | 110.0° | 109.5° |
| O27 | C26 | H5 | 109.5° | 109.4° |
| O27 | C26 | H6 | 109.5° | 109.5° |
| C22 | C20 | N17 | 121.0° | 120.0° |
| C20 | C22 | H3 | 108.7° | 109.6° |
| C20 | C22 | H4 | 108.7° | 109.4° |
| O65 | S63 | O64 | 105.9° | 121.0° |
| O65 | S63 | N62 | 113.0° | 104.3° |
| O65 | S63 | C66 | 109.8° | 110.5° |
| C20 | N17 | C18 | 124.0° | 120.6° |
| C20 | N17 | C16 | 123.9° | 120.7° |
| C54 | N55 | C56 | 124.2° | 120.0° |
| C54 | N55 | H81 | 117.9° | 120.0° |
| O64 | S63 | N62 | 108.5° | 104.3° |
| O64 | S63 | C66 | 110.9° | 110.5° |
| N62 | S63 | C66 | 108.7° | 104.4° |
| S63 | N62 | C61 | 123.3° | 120.0° |
| S63 | N62 | H82 | 105.9° | 120.0° |
| S63 | C66 | C67 | 108.3° | 109.5° |
| S63 | C66 | C68 | 110.1° | 109.5° |
| S63 | C66 | C69 | 109.1° | 109.5° |
| C67 | C66 | C68 | 110.0° | 109.5° |
| C67 | C66 | C69 | 110.6° | 109.4° |
| C66 | C67 | H49 | 109.5° | 109.5° |
| C66 | C67 | H50 | 109.5° | 109.5° |
| C66 | C67 | H51 | 109.5° | 109.4° |
| C18 | N17 | C16 | 112.1° | 118.7° |
| N17 | C18 | C19 | 115.7° | 108.8° |
| N17 | C18 | H18 | 107.9° | 109.6° |
| N17 | C18 | H19 | 107.9° | 109.7° |
| N17 | C16 | C15 | 110.9° | 108.8° |
| N17 | C16 | H16 | 109.1° | 109.6° |
| N17 | C16 | H17 | 109.1° | 109.7° |
| N55 | C56 | C70 | 122.2° | 120.0° |
| N55 | C56 | C57 | 115.8° | 120.0° |
| C56 | N55 | H81 | 117.9° | 120.0° |
| C56 | C70 | C61 | 118.0° | 119.9° |
| C70 | C56 | C57 | 122.0° | 120.0° |
| C56 | C70 | H58 | 121.0° | 120.1° |
| C70 | C61 | N62 | 121.8° | 120.1° |
| C70 | C61 | C59 | 119.6° | 119.9° |
| C61 | C70 | H58 | 121.0° | 120.0° |
| C18 | C19 | C14 | 108.4° | 109.3° |
| C19 | C18 | H18 | 107.9° | 109.6° |
| C19 | C18 | H19 | 107.9° | 109.6° |
| C18 | C19 | H20 | 109.7° | 109.5° |
| C18 | C19 | H21 | 109.8° | 109.5° |
| N62 | C61 | C59 | 118.6° | 120.0° |
| C61 | N62 | H82 | 105.9° | 120.0° |
| C68 | C66 | C69 | 108.8° | 109.5° |
| C66 | C68 | H52 | 109.5° | 109.5° |
| C66 | C68 | H53 | 109.5° | 109.5° |
| C66 | C68 | H54 | 109.5° | 109.5° |
| C66 | C69 | H55 | 109.5° | 109.5° |
| C66 | C69 | H56 | 109.5° | 109.4° |
| C66 | C69 | H57 | 109.5° | 109.5° |
| C56 | C57 | C58 | 119.5° | 120.1° |
| C56 | C57 | H47 | 120.2° | 120.0° |
| C61 | C59 | C58 | 122.9° | 120.1° |
| C61 | C59 | CL60 | 118.1° | 119.9° |
| CL96 | C95 | C97 | 120.6° | 120.0° |
| CL96 | C95 | C86 | 117.5° | 120.0° |
| C16 | C15 | C14 | 112.6° | 109.4° |
| C16 | C15 | H1 | 108.7° | 109.5° |
| C16 | C15 | H2 | 108.7° | 109.5° |
| C15 | C16 | H16 | 109.1° | 109.5° |
| C15 | C16 | H17 | 109.1° | 109.6° |
| C19 | C14 | C15 | 109.8° | 109.5° |
| C19 | C14 | N13 | 118.6° | 109.4° |
| C19 | C14 | H15 | 110.2° | 109.4° |
| C14 | C19 | H20 | 109.8° | 109.5° |
| C14 | C19 | H21 | 109.7° | 109.5° |
| C94 | C91 | C93 | 110.6° | 109.4° |
| C94 | C91 | C92 | 111.6° | 109.5° |
| C94 | C91 | S88 | 109.3° | 109.5° |
| C91 | C94 | H72 | 109.5° | 109.5° |
| C91 | C94 | H73 | 109.5° | 109.4° |
| C91 | C94 | H74 | 109.5° | 109.5° |
| C15 | C14 | N13 | 96.8° | 109.5° |
| C14 | C15 | H1 | 108.7° | 109.5° |
| C14 | C15 | H2 | 108.7° | 109.5° |
| C15 | C14 | H15 | 110.2° | 109.4° |
| C57 | C58 | C59 | 117.9° | 120.1° |
| C58 | C57 | H47 | 120.2° | 119.9° |
| C57 | C58 | H48 | 121.1° | 119.9° |
| C58 | C59 | CL60 | 118.9° | 120.0° |
| C59 | C58 | H48 | 121.0° | 119.9° |
| C14 | N13 | C11 | 118.8° | 120.0° |
| N13 | C14 | H15 | 110.4° | 109.5° |
| C14 | N13 | H78 | 120.6° | 119.9° |
| C97 | C95 | C86 | 121.9° | 120.0° |
| C95 | C97 | C98 | 119.2° | 120.1° |
| C95 | C97 | H75 | 120.4° | 119.9° |
| C95 | C86 | N87 | 117.9° | 120.0° |
| C95 | C86 | C85 | 118.9° | 119.9° |
| C97 | C98 | C84 | 119.7° | 120.1° |
| C98 | C97 | H75 | 120.5° | 119.9° |
| C97 | C98 | H76 | 120.2° | 120.0° |
| C93 | C91 | C92 | 108.8° | 109.5° |
| C93 | C91 | S88 | 108.3° | 109.5° |
| C91 | C93 | H69 | 109.5° | 109.5° |
| C91 | C93 | H70 | 109.5° | 109.5° |
| C91 | C93 | H71 | 109.5° | 109.5° |
| C92 | C91 | S88 | 108.2° | 109.5° |
| C91 | C92 | H66 | 109.5° | 109.4° |
| C91 | C92 | H67 | 109.5° | 109.5° |
| C91 | C92 | H68 | 109.5° | 109.5° |
| C91 | S88 | N87 | 108.0° | 104.4° |
| C91 | S88 | O90 | 110.6° | 110.6° |
| C91 | S88 | O89 | 109.6° | 110.5° |
| C86 | N87 | S88 | 124.0° | 120.0° |
| N87 | C86 | C85 | 123.1° | 120.1° |
| C86 | N87 | H84 | 105.7° | 120.1° |
| N87 | S88 | O90 | 106.8° | 104.3° |
| N87 | S88 | O89 | 113.1° | 104.3° |
| S88 | N87 | H84 | 105.7° | 119.9° |
| N13 | C11 | O12 | 119.9° | 120.0° |
| N13 | C11 | C10 | 120.8° | 120.0° |
| C11 | N13 | H78 | 120.6° | 120.0° |
| C86 | C85 | C84 | 119.5° | 119.9° |
| C86 | C85 | H65 | 120.3° | 120.1° |
| O90 | S88 | O89 | 108.6° | 121.1° |
| C98 | C84 | C85 | 120.8° | 119.9° |
| C98 | C84 | N83 | 116.0° | 120.0° |
| C84 | C98 | H76 | 120.1° | 119.9° |
| F79 | C78 | C10 | 120.5° | 120.1° |
| F79 | C78 | C80 | 118.3° | 120.1° |
| O12 | C11 | C10 | 118.7° | 120.0° |
| C11 | C10 | C78 | 118.9° | 120.1° |
| C11 | C10 | C09 | 120.8° | 120.1° |
| C85 | C84 | N83 | 123.2° | 120.1° |
| C84 | C85 | H65 | 120.3° | 120.1° |
| C84 | N83 | C82 | 122.6° | 120.0° |
| C84 | N83 | H83 | 118.7° | 120.0° |
| C10 | C78 | C80 | 121.2° | 119.7° |
| C78 | C10 | C09 | 119.3° | 119.8° |
| C78 | C80 | C07 | 118.6° | 119.9° |
| C78 | C80 | H64 | 120.7° | 120.1° |
| C10 | C09 | C08 | 119.7° | 120.1° |
| C10 | C09 | H14 | 120.1° | 120.0° |
| N83 | C82 | N81 | 120.8° | 120.5° |
| N83 | C82 | C02 | 119.4° | 120.5° |
| C82 | N83 | H83 | 118.7° | 120.0° |
| C80 | C07 | C08 | 120.6° | 120.2° |
| C80 | C07 | N06 | 122.8° | 119.9° |
| C07 | C80 | H64 | 120.7° | 120.0° |
| C09 | C08 | C07 | 120.3° | 120.3° |
| C09 | C08 | H13 | 119.9° | 119.8° |
| C08 | C09 | H14 | 120.1° | 120.0° |
| N81 | C82 | C02 | 119.8° | 119.0° |
| C82 | N81 | C05 | 119.4° | 120.6° |
| C82 | C02 | C01 | 121.4° | 120.8° |
| C82 | C02 | C03 | 119.1° | 118.4° |
| N81 | C05 | N06 | 120.4° | 119.2° |
| N81 | C05 | N04 | 122.3° | 121.6° |
| C08 | C07 | N06 | 116.5° | 119.9° |
| C07 | C08 | H13 | 119.8° | 119.9° |
| C07 | N06 | C05 | 128.2° | 120.0° |
| C07 | N06 | H77 | 115.9° | 120.0° |
| N06 | C05 | N04 | 117.3° | 119.2° |
| C05 | N06 | H77 | 115.9° | 120.1° |
| C05 | N04 | C03 | 122.3° | 120.9° |
| C01 | C02 | C03 | 119.4° | 120.8° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.4° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C03 | N04 | 117.1° | 119.3° |
| C02 | C03 | H12 | 121.4° | 120.4° |
| N04 | C03 | H12 | 121.5° | 120.3° |
| H1 | C15 | H2 | 109.5° | 109.4° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.4° | 109.6° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H36 | C39 | H37 | 109.5° | 109.6° |
| H38 | C40 | H39 | 109.5° | 109.5° |
| H41 | C42 | H42 | 109.5° | 109.5° |
| H43 | C43 | H44 | 109.4° | 109.7° |
| H49 | C67 | H50 | 109.5° | 109.5° |
| H49 | C67 | H51 | 109.5° | 109.5° |
| H50 | C67 | H51 | 109.4° | 109.5° |
| H52 | C68 | H53 | 109.5° | 109.5° |
| H52 | C68 | H54 | 109.5° | 109.5° |
| H53 | C68 | H54 | 109.5° | 109.5° |
| H55 | C69 | H56 | 109.5° | 109.5° |
| H55 | C69 | H57 | 109.4° | 109.5° |
| H56 | C69 | H57 | 109.5° | 109.5° |
| H59 | C72 | H60 | 109.4° | 109.5° |
| H59 | C72 | H61 | 109.5° | 109.5° |
| H60 | C72 | H61 | 109.4° | 109.5° |
| H66 | C92 | H67 | 109.4° | 109.4° |
| H66 | C92 | H68 | 109.5° | 109.5° |
| H67 | C92 | H68 | 109.5° | 109.5° |
| H69 | C93 | H70 | 109.5° | 109.4° |
| H69 | C93 | H71 | 109.5° | 109.4° |
| H70 | C93 | H71 | 109.5° | 109.4° |
| H72 | C94 | H73 | 109.4° | 109.4° |
| H72 | C94 | H74 | 109.5° | 109.5° |
| H73 | C94 | H74 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | O33 | H30 | 119.9° | 120.0° |
| C31 | C32 | O33 | H31 | 119.9° | 120.0° |
| C31 | C32 | O33 | C34 | 145.9° | 180.0° |
| C32 | C31 | O30 | H28 | 120.0° | 120.0° |
| C32 | C31 | O30 | H29 | 120.0° | 120.0° |
| C32 | C31 | O30 | C29 | 96.8° | 180.0° |
| C32 | C31 | H28 | H29 | 120.2° | 120.0° |
| C31 | C32 | H30 | H31 | 120.2° | 120.1° |
| C32 | O33 | C34 | C35 | 53.3° | 180.0° |
| O33 | C32 | C31 | O30 | 76.6° | 65.0° |
| O33 | C32 | C31 | H28 | 43.4° | 175.0° |
| O33 | C32 | C31 | H29 | 163.4° | 55.0° |
| O33 | C32 | H30 | H31 | 120.2° | 120.0° |
| C32 | O33 | C34 | H32 | 173.3° | 60.1° |
| C32 | O33 | C34 | H33 | 66.7° | 60.1° |
| C48 | C49 | C50 | H46 | 180.0° | 180.0° |
| C49 | C48 | C47 | H45 | 180.0° | 179.9° |
| C48 | C49 | C50 | N51 | 177.7° | 180.0° |
| C48 | C49 | C50 | C75 | 0.2° | 0.1° |
| C49 | C48 | C47 | C45 | 177.5° | 180.0° |
| C49 | C48 | C47 | C76 | 1.8° | 0.3° |
| C50 | C49 | C48 | C47 | 0.9° | 0.1° |
| C49 | C50 | N51 | C75 | 177.9° | 180.0° |
| C49 | C50 | N51 | C52 | 155.8° | 34.2° |
| C49 | C50 | C75 | C76 | 0.4° | 0.3° |
| C50 | C49 | C48 | H45 | 179.0° | 180.0° |
| C49 | C50 | C75 | H63 | 179.6° | 179.9° |
| C49 | C50 | N51 | H80 | 24.2° | 145.9° |
| C48 | C47 | C45 | O46 | 51.4° | 179.7° |
| C48 | C47 | C45 | C76 | 175.7° | 179.7° |
| C48 | C47 | C45 | N44 | 124.2° | 0.3° |
| C48 | C47 | C76 | C75 | 2.0° | 0.6° |
| C48 | C47 | C76 | F77 | 178.8° | 179.7° |
| C47 | C48 | C49 | H46 | 179.1° | 180.0° |
| C34 | C35 | C36 | H34 | 120.6° | 120.0° |
| C34 | C35 | C36 | H35 | 120.6° | 120.0° |
| C35 | C34 | O33 | H32 | 120.0° | 119.9° |
| C35 | C34 | O33 | H33 | 120.0° | 120.0° |
| C34 | C35 | C36 | N38 | 164.5° | 180.0° |
| C34 | C35 | C36 | O37 | 15.3° | 0.0° |
| C35 | C34 | H32 | H33 | 120.1° | 120.0° |
| C34 | C35 | H34 | H35 | 118.3° | 120.0° |
| C36 | C35 | C34 | O33 | 72.4° | 180.0° |
| C35 | C36 | N38 | C43 | 0.3° | 180.0° |
| C35 | C36 | N38 | O37 | 179.8° | 180.0° |
| C35 | C36 | N38 | C39 | 179.8° | 0.2° |
| C36 | C35 | C34 | H32 | 47.6° | 60.0° |
| C36 | C35 | C34 | H33 | 167.6° | 60.0° |
| C36 | C35 | H34 | H35 | 118.2° | 120.0° |
| C34 | O33 | C32 | H30 | 26.0° | 60.0° |
| C34 | O33 | C32 | H31 | 94.1° | 60.0° |
| O33 | C34 | H32 | H33 | 120.1° | 120.1° |
| O33 | C34 | C35 | H34 | 48.1° | 60.0° |
| O33 | C34 | C35 | H35 | 167.0° | 60.0° |
| C31 | O30 | C29 | C28 | 131.8° | 180.0° |
| C31 | O30 | C29 | H26 | 107.9° | 59.9° |
| C31 | O30 | C29 | H27 | 11.4° | 60.0° |
| O30 | C31 | H28 | H29 | 120.1° | 120.0° |
| O30 | C31 | C32 | H30 | 43.3° | 175.0° |
| O30 | C31 | C32 | H31 | 163.5° | 55.0° |
| C43 | C42 | C41 | H41 | 120.8° | 120.0° |
| C43 | C42 | C41 | H42 | 120.8° | 120.0° |
| C42 | C43 | N38 | H43 | 120.2° | 119.8° |
| C42 | C43 | N38 | H44 | 120.2° | 119.9° |
| C42 | C43 | N38 | C36 | 116.4° | 126.4° |
| C43 | C42 | C41 | N44 | 132.5° | 178.7° |
| C42 | C43 | N38 | C39 | 63.1° | 53.4° |
| C43 | C42 | C41 | C40 | 11.3° | 61.3° |
| C43 | C42 | C41 | H40 | 110.1° | 58.6° |
| C43 | C42 | H41 | H42 | 117.5° | 120.1° |
| C42 | C43 | H43 | H44 | 119.3° | 120.4° |
| C41 | C42 | C43 | N38 | 41.6° | 54.6° |
| C42 | C41 | N44 | C45 | 90.3° | 84.9° |
| C42 | C41 | N44 | C40 | 125.2° | 120.1° |
| C42 | C41 | N44 | H40 | 117.2° | 120.1° |
| C42 | C41 | C40 | H40 | 121.4° | 120.0° |
| C42 | C41 | C40 | C39 | 43.4° | 61.3° |
| C42 | C41 | C40 | H38 | 77.6° | 178.7° |
| C42 | C41 | C40 | H39 | 164.3° | 58.7° |
| C41 | C42 | H41 | H42 | 117.5° | 120.0° |
| C41 | C42 | C43 | H43 | 161.9° | 65.1° |
| C41 | C42 | C43 | H44 | 78.6° | 174.4° |
| C42 | C41 | N44 | H79 | 89.7° | 95.0° |
| C43 | N38 | C36 | C39 | 179.5° | 179.7° |
| C43 | N38 | C36 | O37 | 179.9° | 0.0° |
| C43 | N38 | C39 | C40 | 31.1° | 53.3° |
| C43 | N38 | C39 | H36 | 151.9° | 173.2° |
| C43 | N38 | C39 | H37 | 89.7° | 66.5° |
| N38 | C43 | C42 | H41 | 162.4° | 174.6° |
| N38 | C43 | C42 | H42 | 79.2° | 65.3° |
| N38 | C43 | H43 | H44 | 119.3° | 120.2° |
| C50 | N51 | C52 | H80 | 180.0° | 179.9° |
| C50 | N51 | C52 | N74 | 178.9° | 5.6° |
| C50 | N51 | C52 | N53 | 0.4° | 174.6° |
| N51 | C50 | C75 | C76 | 177.4° | 179.7° |
| N51 | C50 | C49 | H46 | 2.3° | 0.0° |
| N51 | C50 | C75 | H63 | 2.6° | 0.1° |
| C52 | N51 | C50 | C75 | 26.3° | 145.8° |
| N51 | C52 | N74 | N53 | 178.5° | 179.8° |
| N51 | C52 | N74 | C73 | 178.5° | 179.8° |
| N51 | C52 | N53 | C54 | 178.1° | 180.0° |
| C50 | C75 | C76 | C47 | 1.2° | 0.6° |
| C50 | C75 | C76 | H63 | 180.0° | 179.8° |
| C50 | C75 | C76 | F77 | 179.5° | 179.7° |
| C75 | C50 | C49 | H46 | 179.8° | 180.0° |
| C75 | C50 | N51 | H80 | 153.7° | 34.1° |
| C52 | N74 | C73 | C71 | 0.7° | 0.6° |
| N74 | C52 | N53 | C54 | 0.4° | 0.2° |
| C52 | N74 | C73 | H62 | 179.3° | 179.7° |
| N74 | C52 | N51 | H80 | 1.0° | 174.3° |
| C73 | N74 | C52 | N53 | 0.0° | 0.0° |
| N74 | C73 | C71 | H62 | 180.0° | 179.1° |
| N74 | C73 | C71 | C54 | 1.0° | 0.8° |
| N74 | C73 | C71 | C72 | 179.6° | 179.7° |
| O46 | C45 | C47 | N44 | 175.6° | 180.0° |
| O46 | C45 | C47 | C76 | 133.0° | 0.0° |
| O46 | C45 | N44 | C41 | 3.0° | 0.0° |
| O46 | C45 | N44 | H79 | 177.0° | 180.0° |
| O30 | C29 | C28 | H26 | 120.3° | 120.0° |
| O30 | C29 | C28 | H27 | 120.4° | 119.9° |
| O30 | C29 | C28 | O27 | 55.3° | 65.0° |
| O30 | C29 | C28 | H7 | 64.4° | 175.0° |
| O30 | C29 | C28 | H8 | 175.0° | 55.0° |
| O30 | C29 | H26 | H27 | 118.9° | 119.9° |
| C29 | O30 | C31 | H28 | 23.2° | 60.0° |
| C29 | O30 | C31 | H29 | 143.3° | 60.0° |
| C47 | C45 | N44 | C41 | 178.7° | 180.0° |
| C45 | C47 | C76 | C75 | 177.6° | 179.7° |
| C45 | C47 | C76 | F77 | 3.2° | 0.0° |
| C45 | C47 | C48 | H45 | 2.5° | 0.1° |
| C47 | C45 | N44 | H79 | 1.3° | 0.0° |
| C76 | C47 | C45 | N44 | 51.4° | 180.0° |
| C47 | C76 | C75 | F77 | 179.3° | 179.7° |
| C76 | C47 | C48 | H45 | 178.2° | 179.8° |
| C47 | C76 | C75 | H63 | 178.8° | 179.6° |
| C45 | N44 | C41 | H79 | 180.0° | 180.0° |
| C45 | N44 | C41 | C40 | 144.5° | 155.0° |
| C45 | N44 | C41 | H40 | 26.9° | 35.1° |
| C36 | N38 | C39 | C40 | 148.4° | 126.4° |
| N38 | C36 | C35 | H34 | 43.9° | 60.0° |
| N38 | C36 | C35 | H35 | 75.0° | 60.0° |
| C36 | N38 | C39 | H36 | 27.6° | 6.5° |
| C36 | N38 | C39 | H37 | 90.8° | 113.8° |
| C36 | N38 | C43 | H43 | 3.8° | 113.8° |
| C36 | N38 | C43 | H44 | 123.4° | 6.5° |
| O37 | C36 | N38 | C39 | 0.4° | 179.8° |
| O37 | C36 | C35 | H34 | 135.9° | 120.0° |
| O37 | C36 | C35 | H35 | 105.3° | 120.0° |
| C52 | N53 | C54 | C71 | 0.1° | 0.1° |
| C52 | N53 | C54 | N55 | 179.7° | 180.0° |
| N53 | C52 | N51 | H80 | 179.6° | 5.5° |
| N44 | C41 | C40 | H40 | 117.8° | 120.0° |
| N44 | C41 | C40 | C39 | 164.2° | 178.6° |
| N44 | C41 | C40 | H38 | 43.3° | 58.7° |
| N44 | C41 | C40 | H39 | 74.9° | 61.4° |
| N44 | C41 | C42 | H41 | 11.6° | 58.6° |
| N44 | C41 | C42 | H42 | 106.7° | 61.4° |
| N38 | C39 | C40 | C41 | 21.3° | 54.5° |
| N38 | C39 | C40 | H36 | 120.8° | 119.9° |
| N38 | C39 | C40 | H37 | 120.8° | 119.8° |
| N38 | C39 | H36 | H37 | 117.5° | 120.3° |
| N38 | C39 | C40 | H38 | 99.6° | 174.5° |
| N38 | C39 | C40 | H39 | 142.2° | 65.5° |
| C39 | N38 | C43 | H43 | 176.6° | 66.4° |
| C39 | N38 | C43 | H44 | 57.1° | 173.3° |
| O24 | C23 | C22 | H22 | 120.1° | 120.0° |
| O24 | C23 | C22 | H23 | 120.1° | 119.9° |
| C23 | O24 | C25 | C26 | 109.8° | 180.0° |
| O24 | C23 | C22 | C20 | 73.5° | 180.0° |
| O24 | C23 | C22 | H3 | 47.0° | 59.9° |
| O24 | C23 | C22 | H4 | 166.1° | 60.1° |
| O24 | C23 | H22 | H23 | 119.8° | 120.0° |
| C23 | O24 | C25 | H24 | 130.0° | 60.1° |
| C23 | O24 | C25 | H25 | 10.5° | 59.9° |
| C25 | O24 | C23 | C22 | 61.3° | 180.0° |
| O24 | C25 | C26 | H24 | 120.2° | 119.9° |
| O24 | C25 | C26 | H25 | 120.2° | 120.0° |
| O24 | C25 | C26 | O27 | 31.0° | 65.1° |
| O24 | C25 | C26 | H5 | 150.9° | 175.0° |
| O24 | C25 | C26 | H6 | 89.0° | 54.9° |
| C25 | O24 | C23 | H22 | 58.8° | 60.0° |
| C25 | O24 | C23 | H23 | 178.7° | 60.1° |
| O24 | C25 | H24 | H25 | 119.3° | 120.0° |
| C23 | C22 | C20 | O21 | 28.2° | 0.1° |
| C23 | C22 | C20 | H3 | 120.4° | 120.1° |
| C23 | C22 | C20 | H4 | 120.5° | 119.9° |
| C23 | C22 | C20 | N17 | 153.0° | 180.0° |
| C23 | C22 | H3 | H4 | 118.6° | 119.9° |
| C22 | C23 | H22 | H23 | 119.7° | 120.0° |
| C41 | C40 | C39 | H38 | 120.9° | 120.0° |
| C41 | C40 | C39 | H39 | 120.9° | 120.0° |
| C41 | C40 | C39 | H36 | 99.5° | 174.4° |
| C41 | C40 | C39 | H37 | 142.1° | 65.3° |
| C41 | C40 | H38 | H39 | 117.1° | 120.0° |
| C40 | C41 | C42 | H41 | 109.5° | 178.7° |
| C40 | C41 | C42 | H42 | 132.1° | 58.6° |
| C40 | C41 | N44 | H79 | 35.5° | 25.0° |
| C73 | C71 | C54 | N53 | 0.6° | 0.6° |
| C73 | C71 | C54 | C72 | 179.4° | 179.4° |
| C73 | C71 | C54 | N55 | 179.7° | 179.5° |
| C73 | C71 | C72 | H59 | 90.3° | 89.4° |
| C73 | C71 | C72 | H60 | 149.7° | 30.6° |
| C73 | C71 | C72 | H61 | 29.7° | 150.6° |
| F77 | C76 | C75 | H63 | 0.5° | 0.1° |
| C29 | C28 | O27 | H7 | 119.7° | 120.0° |
| C29 | C28 | O27 | H8 | 119.7° | 120.0° |
| C29 | C28 | O27 | C26 | 75.3° | 179.9° |
| C29 | C28 | H7 | H8 | 121.0° | 120.0° |
| C28 | C29 | H26 | H27 | 118.9° | 120.0° |
| C25 | C26 | O27 | C28 | 130.2° | 180.0° |
| C25 | C26 | O27 | H5 | 120.0° | 120.0° |
| C25 | C26 | O27 | H6 | 120.0° | 120.1° |
| C25 | C26 | H5 | H6 | 120.1° | 120.1° |
| C26 | C25 | H24 | H25 | 119.2° | 120.0° |
| O21 | C20 | C22 | N17 | 178.8° | 180.0° |
| O21 | C20 | N17 | C18 | 0.7° | 0.0° |
| O21 | C20 | N17 | C16 | 178.6° | 180.0° |
| O21 | C20 | C22 | H3 | 148.6° | 120.0° |
| O21 | C20 | C22 | H4 | 92.3° | 120.0° |
| N53 | C54 | C71 | N55 | 179.8° | 179.9° |
| N53 | C54 | C71 | C72 | 180.0° | 180.0° |
| N53 | C54 | N55 | C56 | 3.4° | 4.9° |
| N53 | C54 | N55 | H81 | 176.6° | 175.2° |
| C40 | C39 | H36 | H37 | 117.5° | 120.3° |
| C39 | C40 | H38 | H39 | 117.2° | 120.1° |
| C39 | C40 | C41 | H40 | 78.0° | 58.7° |
| C71 | C54 | N55 | C56 | 176.4° | 175.2° |
| C54 | C71 | C72 | H59 | 90.3° | 90.0° |
| C54 | C71 | C72 | H60 | 29.7° | 150.0° |
| C54 | C71 | C72 | H61 | 149.7° | 30.0° |
| C54 | C71 | C73 | H62 | 179.1° | 180.0° |
| C71 | C54 | N55 | H81 | 3.6° | 4.7° |
| C72 | C71 | C54 | N55 | 0.3° | 0.1° |
| C71 | C72 | H59 | H60 | 120.0° | 120.0° |
| C71 | C72 | H59 | H61 | 120.0° | 120.0° |
| C71 | C72 | H60 | H61 | 120.0° | 120.0° |
| C72 | C71 | C73 | H62 | 0.4° | 0.6° |
| C28 | O27 | C26 | H5 | 10.3° | 60.0° |
| C28 | O27 | C26 | H6 | 109.8° | 59.9° |
| O27 | C28 | H7 | H8 | 120.9° | 120.0° |
| O27 | C28 | C29 | H26 | 175.7° | 175.0° |
| O27 | C28 | C29 | H27 | 65.1° | 55.0° |
| O27 | C26 | H5 | H6 | 120.1° | 120.0° |
| C26 | O27 | C28 | H7 | 165.0° | 60.0° |
| C26 | O27 | C28 | H8 | 44.4° | 60.0° |
| O27 | C26 | C25 | H24 | 89.3° | 175.0° |
| O27 | C26 | C25 | H25 | 151.2° | 55.0° |
| C22 | C20 | N17 | C18 | 178.1° | 180.0° |
| C22 | C20 | N17 | C16 | 0.2° | 0.0° |
| C20 | C22 | H3 | H4 | 118.6° | 120.0° |
| C20 | C22 | C23 | H22 | 166.4° | 60.0° |
| C20 | C22 | C23 | H23 | 46.6° | 60.1° |
| O65 | S63 | O64 | N62 | 121.6° | 116.8° |
| O65 | S63 | O64 | C66 | 119.1° | 131.5° |
| O65 | S63 | N62 | C66 | 122.2° | 116.1° |
| O65 | S63 | C66 | C67 | 59.9° | 68.4° |
| O65 | S63 | N62 | C61 | 44.1° | 178.7° |
| O65 | S63 | C66 | C68 | 60.3° | 51.6° |
| O65 | S63 | C66 | C69 | 179.6° | 171.6° |
| O65 | S63 | N62 | H82 | 166.0° | 1.3° |
| C20 | N17 | C18 | C16 | 178.2° | 180.0° |
| C20 | N17 | C18 | C19 | 134.7° | 126.4° |
| C20 | N17 | C16 | C15 | 135.3° | 126.4° |
| N17 | C20 | C22 | H3 | 32.6° | 60.0° |
| N17 | C20 | C22 | H4 | 86.5° | 60.1° |
| C20 | N17 | C16 | H16 | 15.1° | 113.8° |
| C20 | N17 | C16 | H17 | 104.4° | 6.5° |
| C20 | N17 | C18 | H18 | 104.4° | 6.6° |
| C20 | N17 | C18 | H19 | 13.8° | 113.7° |
| C54 | N55 | C56 | H81 | 180.0° | 179.9° |
| C54 | N55 | C56 | C70 | 25.8° | 147.5° |
| C54 | N55 | C56 | C57 | 155.3° | 32.7° |
| O64 | S63 | N62 | C66 | 120.7° | 116.1° |
| O64 | S63 | C66 | C67 | 56.8° | 68.3° |
| O64 | S63 | N62 | C61 | 161.2° | 50.8° |
| O64 | S63 | C66 | C68 | 177.0° | 171.6° |
| O64 | S63 | C66 | C69 | 63.7° | 51.6° |
| O64 | S63 | N62 | H82 | 76.9° | 129.2° |
| N62 | S63 | C66 | C67 | 176.0° | 180.0° |
| S63 | N62 | C61 | C70 | 48.9° | 35.9° |
| S63 | N62 | C61 | H82 | 121.9° | 180.0° |
| N62 | S63 | C66 | C68 | 63.8° | 60.0° |
| N62 | S63 | C66 | C69 | 55.5° | 60.0° |
| S63 | N62 | C61 | C59 | 134.0° | 144.2° |
| S63 | C66 | C67 | C68 | 120.3° | 120.0° |
| S63 | C66 | C67 | C69 | 119.5° | 120.0° |
| C66 | S63 | N62 | C61 | 78.1° | 65.2° |
| S63 | C66 | C68 | C69 | 119.5° | 120.0° |
| S63 | C66 | C67 | H49 | 180.0° | 60.0° |
| S63 | C66 | C67 | H50 | 60.0° | 60.0° |
| S63 | C66 | C67 | H51 | 60.0° | 180.0° |
| S63 | C66 | C68 | H52 | 180.0° | 60.0° |
| S63 | C66 | C68 | H53 | 60.0° | 60.0° |
| S63 | C66 | C68 | H54 | 60.0° | 180.0° |
| S63 | C66 | C69 | H55 | 180.0° | 180.0° |
| S63 | C66 | C69 | H56 | 60.0° | 60.0° |
| S63 | C66 | C69 | H57 | 60.0° | 60.0° |
| C66 | S63 | N62 | H82 | 43.8° | 114.8° |
| C67 | C66 | C68 | C69 | 121.3° | 120.0° |
| C66 | C67 | H49 | H50 | 120.0° | 120.0° |
| C66 | C67 | H49 | H51 | 120.0° | 120.0° |
| C66 | C67 | H50 | H51 | 120.0° | 120.0° |
| C67 | C66 | C68 | H52 | 60.8° | 180.0° |
| C67 | C66 | C68 | H53 | 179.3° | 60.0° |
| C67 | C66 | C68 | H54 | 59.3° | 60.0° |
| C67 | C66 | C69 | H55 | 61.0° | 60.0° |
| C67 | C66 | C69 | H56 | 59.0° | 60.0° |
| C67 | C66 | C69 | H57 | 179.0° | 179.9° |
| N17 | C18 | C19 | H18 | 120.9° | 119.8° |
| N17 | C18 | C19 | H19 | 120.9° | 119.9° |
| C18 | N17 | C16 | C15 | 46.5° | 53.6° |
| N17 | C18 | C19 | C14 | 52.6° | 54.6° |
| C18 | N17 | C16 | H16 | 166.7° | 66.2° |
| C18 | N17 | C16 | H17 | 73.8° | 173.5° |
| N17 | C18 | H18 | H19 | 117.1° | 120.4° |
| N17 | C18 | C19 | H20 | 172.4° | 65.3° |
| N17 | C18 | C19 | H21 | 67.2° | 174.6° |
| C16 | N17 | C18 | C19 | 47.1° | 53.6° |
| N17 | C16 | C15 | H16 | 120.2° | 119.8° |
| N17 | C16 | C15 | H17 | 120.2° | 120.0° |
| N17 | C16 | C15 | C14 | 55.9° | 54.6° |
| N17 | C16 | C15 | H1 | 64.6° | 174.7° |
| N17 | C16 | C15 | H2 | 176.3° | 65.4° |
| N17 | C16 | H16 | H17 | 119.3° | 120.4° |
| C16 | N17 | C18 | H18 | 73.8° | 173.4° |
| C16 | N17 | C18 | H19 | 168.0° | 66.3° |
| N55 | C56 | C70 | C57 | 178.8° | 179.8° |
| N55 | C56 | C70 | C61 | 178.7° | 179.8° |
| N55 | C56 | C57 | C58 | 178.5° | 179.7° |
| N55 | C56 | C57 | H47 | 1.5° | 0.2° |
| N55 | C56 | C70 | H58 | 1.4° | 0.2° |
| C56 | C70 | C61 | H58 | 180.0° | 180.0° |
| C56 | C70 | C61 | N62 | 177.1° | 180.0° |
| C56 | C70 | C61 | C59 | 0.1° | 0.0° |
| C70 | C56 | C57 | C58 | 0.4° | 0.1° |
| C70 | C56 | C57 | H47 | 179.6° | 180.0° |
| C70 | C56 | N55 | H81 | 154.2° | 32.5° |
| C70 | C61 | N62 | C59 | 177.1° | 180.0° |
| C61 | C70 | C56 | C57 | 0.1° | 0.0° |
| C70 | C61 | C59 | C58 | 0.3° | 0.0° |
| C70 | C61 | C59 | CL60 | 179.3° | 180.0° |
| C70 | C61 | N62 | H82 | 170.8° | 144.1° |
| C18 | C19 | C14 | H20 | 119.8° | 120.0° |
| C18 | C19 | C14 | H21 | 119.8° | 119.9° |
| C18 | C19 | C14 | C15 | 58.6° | 61.3° |
| C18 | C19 | C14 | N13 | 168.4° | 178.6° |
| C18 | C19 | C14 | H15 | 63.0° | 58.6° |
| C19 | C18 | H18 | H19 | 117.2° | 120.3° |
| C18 | C19 | H20 | H21 | 120.5° | 120.1° |
| N62 | C61 | C59 | C58 | 177.4° | 180.0° |
| N62 | C61 | C59 | CL60 | 2.1° | 0.1° |
| N62 | C61 | C70 | H58 | 2.8° | 0.0° |
| C68 | C66 | C67 | H49 | 59.6° | 60.0° |
| C68 | C66 | C67 | H50 | 60.4° | 180.0° |
| C68 | C66 | C67 | H51 | 179.7° | 60.0° |
| C66 | C68 | H52 | H53 | 120.0° | 120.0° |
| C66 | C68 | H52 | H54 | 120.0° | 120.0° |
| C66 | C68 | H53 | H54 | 120.0° | 120.0° |
| C68 | C66 | C69 | H55 | 59.8° | 60.1° |
| C68 | C66 | C69 | H56 | 179.9° | 180.0° |
| C68 | C66 | C69 | H57 | 60.1° | 60.0° |
| C69 | C66 | C67 | H49 | 60.6° | 180.0° |
| C69 | C66 | C67 | H50 | 179.4° | 60.0° |
| C69 | C66 | C67 | H51 | 59.5° | 60.0° |
| C69 | C66 | C68 | H52 | 60.5° | 60.0° |
| C69 | C66 | C68 | H53 | 59.5° | 180.0° |
| C69 | C66 | C68 | H54 | 179.5° | 60.0° |
| C66 | C69 | H55 | H56 | 120.0° | 120.0° |
| C66 | C69 | H55 | H57 | 120.0° | 120.0° |
| C66 | C69 | H56 | H57 | 120.0° | 120.0° |
| C56 | C57 | C58 | H47 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.6° | 0.1° |
| C56 | C57 | C58 | H48 | 179.4° | 180.0° |
| C57 | C56 | C70 | H58 | 179.8° | 180.0° |
| C57 | C56 | N55 | H81 | 24.7° | 147.3° |
| C61 | C59 | C58 | C57 | 0.5° | 0.0° |
| C61 | C59 | C58 | CL60 | 179.5° | 179.9° |
| C61 | C59 | C58 | H48 | 179.5° | 180.0° |
| C59 | C61 | C70 | H58 | 179.9° | 180.0° |
| C59 | C61 | N62 | H82 | 12.1° | 35.8° |
| CL96 | C95 | C97 | C86 | 179.3° | 179.7° |
| CL96 | C95 | C97 | C98 | 179.3° | 180.0° |
| CL96 | C95 | C86 | N87 | 1.0° | 0.2° |
| CL96 | C95 | C86 | C85 | 179.3° | 179.7° |
| CL96 | C95 | C97 | H75 | 0.7° | 0.3° |
| C16 | C15 | C14 | C19 | 63.0° | 61.3° |
| C16 | C15 | C14 | H1 | 120.5° | 120.0° |
| C16 | C15 | C14 | H2 | 120.5° | 120.0° |
| C16 | C15 | C14 | N13 | 173.3° | 178.6° |
| C16 | C15 | H1 | H2 | 118.6° | 120.1° |
| C16 | C15 | C14 | H15 | 58.6° | 58.6° |
| C15 | C16 | H16 | H17 | 119.4° | 120.3° |
| C19 | C14 | C15 | N13 | 123.8° | 120.0° |
| C19 | C14 | C15 | H15 | 121.6° | 120.0° |
| C19 | C14 | N13 | H15 | 128.5° | 119.9° |
| C19 | C14 | N13 | C11 | 119.7° | 84.9° |
| C19 | C14 | C15 | H1 | 57.5° | 178.7° |
| C19 | C14 | C15 | H2 | 176.5° | 58.7° |
| C14 | C19 | C18 | H18 | 68.3° | 174.4° |
| C14 | C19 | C18 | H19 | 173.5° | 65.3° |
| C14 | C19 | H20 | H21 | 120.5° | 120.1° |
| C19 | C14 | N13 | H78 | 60.3° | 95.1° |
| C94 | C91 | C93 | C92 | 122.9° | 120.0° |
| C94 | C91 | C93 | S88 | 119.8° | 120.0° |
| C94 | C91 | C92 | S88 | 120.3° | 120.1° |
| C94 | C91 | S88 | N87 | 52.8° | 59.9° |
| C94 | C91 | S88 | O90 | 63.9° | 171.6° |
| C94 | C91 | S88 | O89 | 176.5° | 51.7° |
| C94 | C91 | C92 | H66 | 180.0° | 180.0° |
| C94 | C91 | C92 | H67 | 60.0° | 60.1° |
| C94 | C91 | C92 | H68 | 60.0° | 60.0° |
| C94 | C91 | C93 | H69 | 180.0° | 60.0° |
| C94 | C91 | C93 | H70 | 60.0° | 60.0° |
| C94 | C91 | C93 | H71 | 60.0° | 180.0° |
| C91 | C94 | H72 | H73 | 120.0° | 119.9° |
| C91 | C94 | H72 | H74 | 120.0° | 120.1° |
| C91 | C94 | H73 | H74 | 120.0° | 120.1° |
| C15 | C14 | N13 | H15 | 114.5° | 120.0° |
| C15 | C14 | N13 | C11 | 123.3° | 155.0° |
| C14 | C15 | H1 | H2 | 118.5° | 120.0° |
| C14 | C15 | C16 | H16 | 176.1° | 65.2° |
| C14 | C15 | C16 | H17 | 64.4° | 174.6° |
| C15 | C14 | C19 | H20 | 178.3° | 58.6° |
| C15 | C14 | C19 | H21 | 61.3° | 178.7° |
| C15 | C14 | N13 | H78 | 56.7° | 25.0° |
| C57 | C58 | C59 | H48 | 180.0° | 179.9° |
| C57 | C58 | C59 | CL60 | 179.0° | 179.9° |
| C59 | C58 | C57 | H47 | 179.4° | 180.0° |
| CL60 | C59 | C58 | H48 | 1.0° | 0.0° |
| C14 | N13 | C11 | H78 | 180.0° | 180.0° |
| C14 | N13 | C11 | O12 | 0.2° | 0.0° |
| C14 | N13 | C11 | C10 | 170.4° | 180.0° |
| N13 | C14 | C15 | H1 | 66.3° | 58.6° |
| N13 | C14 | C15 | H2 | 52.8° | 61.4° |
| N13 | C14 | C19 | H20 | 71.8° | 61.5° |
| N13 | C14 | C19 | H21 | 48.6° | 58.6° |
| C95 | C97 | C98 | H75 | 180.0° | 179.7° |
| C97 | C95 | C86 | N87 | 178.3° | 180.0° |
| C97 | C95 | C86 | C85 | 0.0° | 0.0° |
| C95 | C97 | C98 | C84 | 0.6° | 0.5° |
| C95 | C97 | C98 | H76 | 179.4° | 180.0° |
| C86 | C95 | C97 | C98 | 0.1° | 0.3° |
| C95 | C86 | N87 | C85 | 178.2° | 179.9° |
| C95 | C86 | N87 | S88 | 145.4° | 144.4° |
| C95 | C86 | C85 | C84 | 0.4° | 0.0° |
| C95 | C86 | C85 | H65 | 179.6° | 179.9° |
| C86 | C95 | C97 | H75 | 179.9° | 180.0° |
| C95 | C86 | N87 | H84 | 92.6° | 35.6° |
| C97 | C98 | C84 | H76 | 180.0° | 179.5° |
| C97 | C98 | C84 | C85 | 1.1° | 0.5° |
| C97 | C98 | C84 | N83 | 179.3° | 179.7° |
| C93 | C91 | C92 | S88 | 117.4° | 120.0° |
| C93 | C91 | S88 | N87 | 67.8° | 60.0° |
| C93 | C91 | S88 | O90 | 175.6° | 51.6° |
| C93 | C91 | S88 | O89 | 55.9° | 171.6° |
| C93 | C91 | C92 | H66 | 57.7° | 60.1° |
| C93 | C91 | C92 | H67 | 177.7° | 180.0° |
| C93 | C91 | C92 | H68 | 62.3° | 59.9° |
| C91 | C93 | H69 | H70 | 120.0° | 120.1° |
| C91 | C93 | H69 | H71 | 120.0° | 120.1° |
| C91 | C93 | H70 | H71 | 120.0° | 120.1° |
| C93 | C91 | C94 | H72 | 180.0° | 60.0° |
| C93 | C91 | C94 | H73 | 60.0° | 180.0° |
| C93 | C91 | C94 | H74 | 60.0° | 60.0° |
| C92 | C91 | S88 | N87 | 174.5° | 180.0° |
| C92 | C91 | S88 | O90 | 57.9° | 68.4° |
| C92 | C91 | S88 | O89 | 61.8° | 68.4° |
| C91 | C92 | H66 | H67 | 120.0° | 119.9° |
| C91 | C92 | H66 | H68 | 120.0° | 120.0° |
| C91 | C92 | H67 | H68 | 120.0° | 120.1° |
| C92 | C91 | C93 | H69 | 57.1° | 60.0° |
| C92 | C91 | C93 | H70 | 62.9° | 180.0° |
| C92 | C91 | C93 | H71 | 177.1° | 60.0° |
| C92 | C91 | C94 | H72 | 58.8° | 59.9° |
| C92 | C91 | C94 | H73 | 178.8° | 60.0° |
| C92 | C91 | C94 | H74 | 61.3° | 180.0° |
| C91 | S88 | N87 | C86 | 82.6° | 65.5° |
| C91 | S88 | N87 | O90 | 119.0° | 116.1° |
| C91 | S88 | N87 | O89 | 121.6° | 116.0° |
| C91 | S88 | O90 | O89 | 120.4° | 131.5° |
| S88 | C91 | C92 | H66 | 59.6° | 59.9° |
| S88 | C91 | C92 | H67 | 60.4° | 60.0° |
| S88 | C91 | C92 | H68 | 179.7° | 179.9° |
| S88 | C91 | C93 | H69 | 60.2° | 180.0° |
| S88 | C91 | C93 | H70 | 179.8° | 60.0° |
| S88 | C91 | C93 | H71 | 59.8° | 60.0° |
| S88 | C91 | C94 | H72 | 60.9° | 180.0° |
| S88 | C91 | C94 | H73 | 59.1° | 60.1° |
| S88 | C91 | C94 | H74 | 179.1° | 60.0° |
| C91 | S88 | N87 | H84 | 155.5° | 114.5° |
| C86 | N87 | S88 | H84 | 122.0° | 180.0° |
| C86 | N87 | S88 | O90 | 158.4° | 178.4° |
| C86 | N87 | S88 | O89 | 39.0° | 50.5° |
| N87 | C86 | C85 | C84 | 177.8° | 180.0° |
| N87 | C86 | C85 | H65 | 2.2° | 0.0° |
| S88 | N87 | C86 | C85 | 36.3° | 35.6° |
| N87 | S88 | O90 | O89 | 122.3° | 116.8° |
| N13 | C11 | O12 | C10 | 170.9° | 180.0° |
| N13 | C11 | C10 | C78 | 20.1° | 179.7° |
| N13 | C11 | C10 | C09 | 170.9° | 0.0° |
| C11 | N13 | C14 | H15 | 8.8° | 35.0° |
| C86 | C85 | C84 | C98 | 1.0° | 0.3° |
| C86 | C85 | C84 | H65 | 180.0° | 180.0° |
| C86 | C85 | C84 | N83 | 179.1° | 180.0° |
| C85 | C86 | N87 | H84 | 85.6° | 144.4° |
| O90 | S88 | N87 | H84 | 36.4° | 1.6° |
| C98 | C84 | C85 | N83 | 178.1° | 179.8° |
| C98 | C84 | N83 | C82 | 152.4° | 36.1° |
| C98 | C84 | C85 | H65 | 179.0° | 179.8° |
| C84 | C98 | C97 | H75 | 179.4° | 179.8° |
| C98 | C84 | N83 | H83 | 27.6° | 143.9° |
| O89 | S88 | N87 | H84 | 82.9° | 129.5° |
| F79 | C78 | C10 | C11 | 7.5° | 0.3° |
| F79 | C78 | C10 | C80 | 178.8° | 179.9° |
| F79 | C78 | C10 | C09 | 176.7° | 180.0° |
| F79 | C78 | C80 | C07 | 180.0° | 179.9° |
| F79 | C78 | C80 | H64 | 0.0° | 0.1° |
| O12 | C11 | C10 | C78 | 150.7° | 0.3° |
| O12 | C11 | C10 | C09 | 18.3° | 180.0° |
| O12 | C11 | N13 | H78 | 179.8° | 180.0° |
| C11 | C10 | C78 | C09 | 169.2° | 179.7° |
| C11 | C10 | C78 | C80 | 173.6° | 179.7° |
| C11 | C10 | C09 | C08 | 173.8° | 180.0° |
| C11 | C10 | C09 | H14 | 6.2° | 0.1° |
| C10 | C11 | N13 | H78 | 9.6° | 0.0° |
| C85 | C84 | N83 | C82 | 29.4° | 144.2° |
| C85 | C84 | C98 | H76 | 178.9° | 180.0° |
| C85 | C84 | N83 | H83 | 150.6° | 35.9° |
| C84 | N83 | C82 | H83 | 180.0° | 180.0° |
| C84 | N83 | C82 | N81 | 5.7° | 1.7° |
| C84 | N83 | C82 | C02 | 174.7° | 178.3° |
| N83 | C84 | C85 | H65 | 0.9° | 0.0° |
| N83 | C84 | C98 | H76 | 0.7° | 0.2° |
| C10 | C78 | C80 | C07 | 1.1° | 0.0° |
| C78 | C10 | C09 | C08 | 4.8° | 0.3° |
| C78 | C10 | C09 | H14 | 175.2° | 179.6° |
| C10 | C78 | C80 | H64 | 178.9° | 180.0° |
| C80 | C78 | C10 | C09 | 4.5° | 0.0° |
| C78 | C80 | C07 | H64 | 180.0° | 180.0° |
| C78 | C80 | C07 | C08 | 1.8° | 0.3° |
| C78 | C80 | C07 | N06 | 179.0° | 179.7° |
| C10 | C09 | C08 | H14 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 1.9° | 0.6° |
| C10 | C09 | C08 | H13 | 178.1° | 179.5° |
| N83 | C82 | N81 | C02 | 179.6° | 180.0° |
| N83 | C82 | N81 | C05 | 178.1° | 180.0° |
| N83 | C82 | C02 | C01 | 0.7° | 0.0° |
| N83 | C82 | C02 | C03 | 178.5° | 179.7° |
| C80 | C07 | C08 | C09 | 1.5° | 0.5° |
| C80 | C07 | C08 | N06 | 177.3° | 179.5° |
| C80 | C07 | N06 | C05 | 6.9° | 36.5° |
| C80 | C07 | C08 | H13 | 178.5° | 179.5° |
| C80 | C07 | N06 | H77 | 173.1° | 143.5° |
| C09 | C08 | C07 | H13 | 180.0° | 180.0° |
| C09 | C08 | C07 | N06 | 178.8° | 180.0° |
| C82 | N81 | C05 | N06 | 178.1° | 180.0° |
| C82 | N81 | C05 | N04 | 2.5° | 0.3° |
| N81 | C82 | C02 | C01 | 179.6° | 180.0° |
| N81 | C82 | C02 | C03 | 1.8° | 0.3° |
| N81 | C82 | N83 | H83 | 174.3° | 178.3° |
| C02 | C82 | N81 | C05 | 2.3° | 0.0° |
| C82 | C02 | C01 | C03 | 177.8° | 179.7° |
| C82 | C02 | C03 | N04 | 1.5° | 0.3° |
| C82 | C02 | C01 | H9 | 91.2° | 90.3° |
| C82 | C02 | C01 | H10 | 148.9° | 29.7° |
| C82 | C02 | C01 | H11 | 28.8° | 149.7° |
| C82 | C02 | C03 | H12 | 178.5° | 179.7° |
| C02 | C82 | N83 | H83 | 5.4° | 1.7° |
| N81 | C05 | N06 | C07 | 9.6° | 179.7° |
| N81 | C05 | N06 | N04 | 179.4° | 179.7° |
| N81 | C05 | N04 | C03 | 2.3° | 0.3° |
| N81 | C05 | N06 | H77 | 170.4° | 0.2° |
| C08 | C07 | N06 | C05 | 175.9° | 144.0° |
| C07 | C08 | C09 | H14 | 178.1° | 179.4° |
| C08 | C07 | C80 | H64 | 178.2° | 179.7° |
| C08 | C07 | N06 | H77 | 4.1° | 35.9° |
| C07 | N06 | C05 | H77 | 180.0° | 180.0° |
| C07 | N06 | C05 | N04 | 169.9° | 0.6° |
| N06 | C07 | C08 | H13 | 1.2° | 0.0° |
| N06 | C07 | C80 | H64 | 1.0° | 0.3° |
| N06 | C05 | N04 | C03 | 178.3° | 180.0° |
| C05 | N04 | C03 | C02 | 1.7° | 0.0° |
| C05 | N04 | C03 | H12 | 178.3° | 180.0° |
| N04 | C05 | N06 | H77 | 10.2° | 179.5° |
| C01 | C02 | C03 | N04 | 179.3° | 180.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 0.7° | 0.0° |
| C02 | C03 | N04 | H12 | 180.0° | 180.0° |
| C03 | C02 | C01 | H9 | 91.0° | 90.0° |
| C03 | C02 | C01 | H10 | 28.9° | 150.0° |
| C03 | C02 | C01 | H11 | 148.9° | 30.0° |
| H1 | C15 | C14 | H15 | 179.1° | 61.4° |
| H1 | C15 | C16 | H16 | 55.6° | 54.9° |
| H1 | C15 | C16 | H17 | 175.2° | 65.4° |
| H2 | C15 | C14 | H15 | 61.9° | 178.6° |
| H2 | C15 | C16 | H16 | 63.4° | 174.8° |
| H2 | C15 | C16 | H17 | 56.1° | 54.6° |
| H3 | C22 | C23 | H22 | 73.1° | 179.9° |
| H3 | C22 | C23 | H23 | 167.0° | 60.0° |
| H4 | C22 | C23 | H22 | 46.0° | 60.0° |
| H4 | C22 | C23 | H23 | 73.9° | 180.0° |
| H5 | C26 | C25 | H24 | 30.7° | 55.1° |
| H5 | C26 | C25 | H25 | 88.8° | 64.9° |
| H6 | C26 | C25 | H24 | 150.8° | 65.0° |
| H6 | C26 | C25 | H25 | 31.2° | 175.0° |
| H7 | C28 | C29 | H26 | 56.0° | 55.0° |
| H7 | C28 | C29 | H27 | 175.2° | 65.1° |
| H8 | C28 | C29 | H26 | 64.7° | 65.0° |
| H8 | C28 | C29 | H27 | 54.6° | 175.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H13 | C08 | C09 | H14 | 1.9° | 0.6° |
| H15 | C14 | C19 | H20 | 56.8° | 178.6° |
| H15 | C14 | C19 | H21 | 177.2° | 61.3° |
| H15 | C14 | N13 | H78 | 171.2° | 145.0° |
| H18 | C18 | C19 | H20 | 51.5° | 54.5° |
| H18 | C18 | C19 | H21 | 171.8° | 65.6° |
| H19 | C18 | C19 | H20 | 66.7° | 174.7° |
| H19 | C18 | C19 | H21 | 53.6° | 54.6° |
| H28 | C31 | C32 | H30 | 163.3° | 55.0° |
| H28 | C31 | C32 | H31 | 76.6° | 65.0° |
| H29 | C31 | C32 | H30 | 76.6° | 65.0° |
| H29 | C31 | C32 | H31 | 43.5° | 174.9° |
| H32 | C34 | C35 | H34 | 168.1° | 60.0° |
| H32 | C34 | C35 | H35 | 73.0° | 179.9° |
| H33 | C34 | C35 | H34 | 71.8° | 180.0° |
| H33 | C34 | C35 | H35 | 47.1° | 60.0° |
| H36 | C39 | C40 | H38 | 139.6° | 65.6° |
| H36 | C39 | C40 | H39 | 21.4° | 54.4° |
| H37 | C39 | C40 | H38 | 21.2° | 54.7° |
| H37 | C39 | C40 | H39 | 97.0° | 174.7° |
| H38 | C40 | C41 | H40 | 161.1° | 61.3° |
| H39 | C40 | C41 | H40 | 42.9° | 178.7° |
| H40 | C41 | C42 | H41 | 129.1° | 61.4° |
| H40 | C41 | C42 | H42 | 10.7° | 178.5° |
| H40 | C41 | N44 | H79 | 153.1° | 144.9° |
| H41 | C42 | C43 | H43 | 77.3° | 54.9° |
| H41 | C42 | C43 | H44 | 42.2° | 65.6° |
| H42 | C42 | C43 | H43 | 41.1° | 175.0° |
| H42 | C42 | C43 | H44 | 160.6° | 54.5° |
| H45 | C48 | C49 | H46 | 1.0° | 0.0° |
| H47 | C57 | C58 | H48 | 0.6° | 0.0° |
| H49 | C67 | H50 | H51 | 120.0° | 120.0° |
| H52 | C68 | H53 | H54 | 120.0° | 120.0° |
| H55 | C69 | H56 | H57 | 120.0° | 120.1° |
| H59 | C72 | H60 | H61 | 120.0° | 120.0° |
| H66 | C92 | H67 | H68 | 120.0° | 120.0° |
| H69 | C93 | H70 | H71 | 120.0° | 119.9° |
| H72 | C94 | H73 | H74 | 120.0° | 120.0° |
| H75 | C97 | C98 | H76 | 0.6° | 0.2° |
