BYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | doub | 1.34Å | 1.41Å | Aromatic |
| C34 | S35 | sing | 1.71Å | 1.69Å | Aromatic |
| C33 | C32 | sing | 1.37Å | 1.43Å | Aromatic |
| S35 | C31 | sing | 1.76Å | 1.69Å | Aromatic |
| C32 | C31 | doub | 1.37Å | 1.41Å | Aromatic |
| C31 | C29 | sing | 1.46Å | 1.53Å | |
| C29 | O28 | sing | 1.35Å | 1.41Å | |
| C29 | O30 | doub | 1.22Å | 1.19Å | |
| O28 | C25 | sing | 1.36Å | 1.41Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| O36 | C37 | sing | 1.43Å | 1.42Å | |
| O36 | C24 | sing | 1.36Å | 1.41Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| O52 | C51 | doub | 1.22Å | 1.19Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| N50 | C51 | sing | 1.35Å | 1.48Å | |
| N50 | C47 | sing | 1.39Å | 1.48Å | |
| C51 | O53 | sing | 1.35Å | 1.42Å | |
| C27 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| N08 | C06 | sing | 1.35Å | 1.47Å | |
| N08 | C09 | sing | 1.39Å | 1.47Å | |
| C04 | C02 | sing | 1.53Å | 1.55Å | |
| C46 | C47 | doub | 1.39Å | 1.39Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| S71 | C70 | sing | 1.71Å | 1.70Å | Aromatic |
| S71 | C67 | sing | 1.76Å | 1.69Å | Aromatic |
| O05 | C02 | sing | 1.45Å | 1.43Å | |
| O05 | C06 | sing | 1.35Å | 1.42Å | |
| C73 | O72 | sing | 1.43Å | 1.43Å | |
| C14 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C56 | C54 | sing | 1.53Å | 1.55Å | |
| C70 | C69 | doub | 1.34Å | 1.41Å | Aromatic |
| C47 | C48 | sing | 1.39Å | 1.39Å | Aromatic |
| C55 | C54 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | sing | 1.51Å | 1.59Å | |
| C06 | O07 | doub | 1.21Å | 1.19Å | |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C44 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| O53 | C54 | sing | 1.45Å | 1.43Å | |
| C54 | C57 | sing | 1.53Å | 1.54Å | |
| O66 | C65 | doub | 1.22Å | 1.18Å | |
| O72 | C60 | sing | 1.36Å | 1.41Å | |
| C67 | C65 | sing | 1.46Å | 1.55Å | |
| C67 | C68 | doub | 1.37Å | 1.41Å | Aromatic |
| C69 | C68 | sing | 1.37Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C48 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| C65 | O64 | sing | 1.35Å | 1.41Å | |
| C44 | C49 | sing | 1.40Å | 1.39Å | Aromatic |
| C44 | C42 | sing | 1.48Å | 1.57Å | |
| C21 | C18 | sing | 1.54Å | 1.52Å | |
| C21 | C20 | sing | 1.54Å | 1.52Å | |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.56Å | |
| N17 | C15 | sing | 1.35Å | 1.49Å | |
| N17 | C18 | sing | 1.46Å | 1.49Å | |
| N41 | C42 | sing | 1.35Å | 1.50Å | |
| N41 | C20 | sing | 1.47Å | 1.45Å | |
| C60 | C59 | doub | 1.38Å | 1.39Å | Aromatic |
| C60 | C61 | sing | 1.39Å | 1.40Å | Aromatic |
| C59 | C58 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | O43 | doub | 1.22Å | 1.19Å | |
| C15 | O16 | doub | 1.22Å | 1.19Å | |
| C18 | C19 | sing | 1.54Å | 1.48Å | |
| C18 | C74 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C20 | C38 | sing | 1.51Å | 1.55Å | |
| O64 | C61 | sing | 1.36Å | 1.43Å | |
| O75 | C74 | doub | 1.21Å | 1.26Å | |
| C61 | C62 | doub | 1.38Å | 1.40Å | Aromatic |
| O39 | C38 | doub | 1.21Å | 1.26Å | |
| C58 | C19 | sing | 1.51Å | 1.57Å | |
| C58 | C63 | doub | 1.38Å | 1.40Å | Aromatic |
| C74 | O76 | sing | 1.34Å | 1.26Å | |
| C38 | O40 | sing | 1.34Å | 1.27Å | |
| C62 | C63 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C45 | H25 | sing | 1.08Å | 1.08Å | |
| C46 | H26 | sing | 1.08Å | 1.08Å | |
| C48 | H27 | sing | 1.08Å | 1.08Å | |
| C49 | H28 | sing | 1.08Å | 1.08Å | |
| C55 | H29 | sing | 1.09Å | 1.10Å | |
| C55 | H30 | sing | 1.09Å | 1.10Å | |
| C55 | H31 | sing | 1.09Å | 1.10Å | |
| C56 | H32 | sing | 1.09Å | 1.10Å | |
| C56 | H33 | sing | 1.09Å | 1.10Å | |
| C56 | H34 | sing | 1.09Å | 1.10Å | |
| C57 | H35 | sing | 1.09Å | 1.10Å | |
| C57 | H36 | sing | 1.09Å | 1.10Å | |
| C57 | H37 | sing | 1.09Å | 1.10Å | |
| C59 | H38 | sing | 1.08Å | 1.08Å | |
| C62 | H39 | sing | 1.08Å | 1.08Å | |
| C63 | H40 | sing | 1.08Å | 1.08Å | |
| C68 | H41 | sing | 1.08Å | 1.08Å | |
| C69 | H42 | sing | 1.08Å | 1.08Å | |
| C70 | H43 | sing | 1.08Å | 1.08Å | |
| C73 | H44 | sing | 1.09Å | 1.10Å | |
| C73 | H45 | sing | 1.09Å | 1.10Å | |
| C73 | H46 | sing | 1.09Å | 1.10Å | |
| N08 | H47 | sing | 0.97Å | 1.00Å | |
| N17 | H48 | sing | 0.97Å | 1.00Å | |
| N41 | H49 | sing | 0.97Å | 1.00Å | |
| N50 | H50 | sing | 0.97Å | 1.00Å | |
| O40 | H51 | sing | 0.97Å | 0.95Å | |
| O76 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | S35 | 105.8° | 110.9° |
| C34 | C33 | C32 | 114.9° | 115.2° |
| C34 | C33 | H20 | 122.6° | 122.4° |
| C33 | C34 | H21 | 127.1° | 124.5° |
| C34 | S35 | C31 | 99.4° | 91.6° |
| S35 | C34 | H21 | 127.1° | 124.5° |
| C33 | C32 | C31 | 113.3° | 113.2° |
| C33 | C32 | H19 | 123.3° | 123.4° |
| C32 | C33 | H20 | 122.6° | 122.4° |
| S35 | C31 | C32 | 106.6° | 109.1° |
| S35 | C31 | C29 | 126.6° | 125.4° |
| C32 | C31 | C29 | 126.8° | 125.4° |
| C31 | C32 | H19 | 123.3° | 123.4° |
| C31 | C29 | O28 | 120.8° | 120.0° |
| C31 | C29 | O30 | 119.5° | 120.0° |
| O28 | C29 | O30 | 119.7° | 119.9° |
| C29 | O28 | C25 | 111.9° | 117.1° |
| O28 | C25 | C26 | 120.0° | 120.1° |
| O28 | C25 | C24 | 120.5° | 120.1° |
| C26 | C25 | C24 | 119.5° | 119.8° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H4 | 120.0° | 120.0° |
| C25 | C24 | O36 | 119.9° | 120.1° |
| C25 | C24 | C23 | 119.9° | 119.8° |
| C37 | O36 | C24 | 114.3° | 117.0° |
| O36 | C37 | H22 | 109.5° | 109.4° |
| O36 | C37 | H23 | 109.5° | 109.5° |
| O36 | C37 | H24 | 109.5° | 109.4° |
| O36 | C24 | C23 | 120.1° | 120.1° |
| C26 | C27 | C22 | 121.5° | 120.2° |
| C27 | C26 | H4 | 120.0° | 120.0° |
| C26 | C27 | H18 | 119.2° | 119.9° |
| C24 | C23 | C22 | 121.5° | 120.0° |
| C24 | C23 | H17 | 119.3° | 120.0° |
| O52 | C51 | N50 | 119.7° | 120.0° |
| O52 | C51 | O53 | 120.5° | 120.0° |
| C01 | C02 | C04 | 108.1° | 109.5° |
| C01 | C02 | O05 | 108.0° | 109.5° |
| C01 | C02 | C03 | 107.9° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C51 | N50 | C47 | 119.8° | 120.0° |
| N50 | C51 | O53 | 119.8° | 120.0° |
| C51 | N50 | H50 | 120.1° | 120.0° |
| N50 | C47 | C46 | 119.7° | 120.0° |
| N50 | C47 | C48 | 120.1° | 119.9° |
| C47 | N50 | H50 | 120.1° | 120.0° |
| C51 | O53 | C54 | 116.8° | 117.0° |
| C27 | C22 | C23 | 117.5° | 120.1° |
| C27 | C22 | C21 | 118.0° | 119.9° |
| C22 | C27 | H18 | 119.3° | 119.9° |
| C23 | C22 | C21 | 124.5° | 120.0° |
| C22 | C23 | H17 | 119.3° | 120.0° |
| C06 | N08 | C09 | 119.0° | 120.0° |
| N08 | C06 | O05 | 118.5° | 120.0° |
| N08 | C06 | O07 | 118.8° | 120.0° |
| C06 | N08 | H47 | 120.5° | 120.0° |
| N08 | C09 | C14 | 120.3° | 120.0° |
| N08 | C09 | C10 | 119.6° | 119.9° |
| C09 | N08 | H47 | 120.5° | 120.0° |
| C04 | C02 | O05 | 111.8° | 109.5° |
| C04 | C02 | C03 | 110.5° | 109.5° |
| C02 | C04 | H11 | 109.5° | 109.5° |
| C02 | C04 | H12 | 109.5° | 109.5° |
| C02 | C04 | H13 | 109.5° | 109.4° |
| C47 | C46 | C45 | 119.9° | 120.1° |
| C46 | C47 | C48 | 120.2° | 120.1° |
| C47 | C46 | H26 | 120.1° | 119.9° |
| C46 | C45 | C44 | 120.0° | 119.9° |
| C46 | C45 | H25 | 120.0° | 120.1° |
| C45 | C46 | H26 | 120.0° | 120.0° |
| C70 | S71 | C67 | 99.4° | 91.6° |
| S71 | C70 | C69 | 106.0° | 110.9° |
| S71 | C70 | H43 | 127.0° | 124.5° |
| S71 | C67 | C65 | 126.9° | 125.4° |
| S71 | C67 | C68 | 106.3° | 109.1° |
| C02 | O05 | C06 | 119.8° | 117.0° |
| O05 | C02 | C03 | 110.4° | 109.4° |
| O05 | C06 | O07 | 122.7° | 120.0° |
| C73 | O72 | C60 | 114.5° | 117.0° |
| O72 | C73 | H44 | 109.5° | 109.5° |
| O72 | C73 | H45 | 109.5° | 109.4° |
| O72 | C73 | H46 | 109.5° | 109.5° |
| C09 | C14 | C13 | 119.9° | 120.1° |
| C14 | C09 | C10 | 120.1° | 120.1° |
| C09 | C14 | H15 | 120.1° | 120.0° |
| C14 | C13 | C12 | 119.9° | 119.9° |
| C14 | C13 | H2 | 120.1° | 120.1° |
| C13 | C14 | H15 | 120.0° | 119.9° |
| C02 | C03 | H8 | 109.5° | 109.4° |
| C02 | C03 | H9 | 109.5° | 109.4° |
| C02 | C03 | H10 | 109.5° | 109.4° |
| C56 | C54 | C55 | 109.3° | 109.5° |
| C56 | C54 | O53 | 110.9° | 109.5° |
| C56 | C54 | C57 | 108.9° | 109.5° |
| C54 | C56 | H32 | 109.5° | 109.5° |
| C54 | C56 | H33 | 109.5° | 109.5° |
| C54 | C56 | H34 | 109.4° | 109.5° |
| C70 | C69 | C68 | 114.4° | 115.1° |
| C70 | C69 | H42 | 122.8° | 122.4° |
| C69 | C70 | H43 | 127.0° | 124.5° |
| C47 | C48 | C49 | 120.0° | 120.1° |
| C47 | C48 | H27 | 120.0° | 119.9° |
| C55 | C54 | O53 | 110.0° | 109.5° |
| C55 | C54 | C57 | 108.9° | 109.5° |
| C54 | C55 | H29 | 109.5° | 109.5° |
| C54 | C55 | H30 | 109.5° | 109.5° |
| C54 | C55 | H31 | 109.5° | 109.5° |
| C22 | C21 | C18 | 121.9° | 113.6° |
| C22 | C21 | C20 | 123.3° | 113.6° |
| C22 | C21 | H3 | 106.2° | 112.9° |
| C09 | C10 | C11 | 120.0° | 120.1° |
| C09 | C10 | H1 | 120.0° | 119.9° |
| C45 | C44 | C49 | 120.2° | 119.8° |
| C45 | C44 | C42 | 119.2° | 120.1° |
| C44 | C45 | H25 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.2° | 119.8° |
| C13 | C12 | C15 | 120.0° | 120.1° |
| C12 | C13 | H2 | 120.0° | 120.0° |
| O53 | C54 | C57 | 108.9° | 109.5° |
| C54 | C57 | H35 | 109.5° | 109.5° |
| C54 | C57 | H36 | 109.4° | 109.5° |
| C54 | C57 | H37 | 109.5° | 109.5° |
| O66 | C65 | C67 | 120.3° | 120.0° |
| O66 | C65 | O64 | 120.1° | 120.0° |
| O72 | C60 | C59 | 117.9° | 120.1° |
| O72 | C60 | C61 | 122.6° | 120.1° |
| C65 | C67 | C68 | 126.8° | 125.5° |
| C67 | C65 | O64 | 119.6° | 120.0° |
| C67 | C68 | C69 | 113.9° | 113.3° |
| C67 | C68 | H41 | 123.1° | 123.4° |
| C69 | C68 | H41 | 123.1° | 123.4° |
| C68 | C69 | H42 | 122.8° | 122.5° |
| C10 | C11 | C12 | 119.8° | 119.9° |
| C11 | C10 | H1 | 120.0° | 120.0° |
| C10 | C11 | H14 | 120.1° | 120.0° |
| C48 | C49 | C44 | 119.7° | 119.9° |
| C49 | C48 | H27 | 120.0° | 120.0° |
| C48 | C49 | H28 | 120.1° | 120.0° |
| C65 | O64 | C61 | 116.9° | 117.0° |
| C49 | C44 | C42 | 120.6° | 120.1° |
| C44 | C49 | H28 | 120.2° | 120.0° |
| C44 | C42 | N41 | 119.7° | 119.9° |
| C44 | C42 | O43 | 117.5° | 120.0° |
| C18 | C21 | C20 | 89.7° | 87.1° |
| C21 | C18 | N17 | 113.2° | 113.6° |
| C21 | C18 | C19 | 88.9° | 87.0° |
| C21 | C18 | C74 | 113.9° | 113.6° |
| C18 | C21 | H3 | 107.0° | 113.6° |
| C21 | C20 | N41 | 113.4° | 113.7° |
| C21 | C20 | C19 | 87.2° | 87.0° |
| C21 | C20 | C38 | 107.2° | 113.7° |
| C20 | C21 | H3 | 107.0° | 113.6° |
| C11 | C12 | C15 | 119.7° | 120.1° |
| C12 | C11 | H14 | 120.1° | 120.1° |
| C12 | C15 | N17 | 119.0° | 120.0° |
| C12 | C15 | O16 | 119.7° | 120.0° |
| C15 | N17 | C18 | 122.8° | 120.0° |
| N17 | C15 | O16 | 121.4° | 120.0° |
| C15 | N17 | H48 | 118.6° | 120.0° |
| N17 | C18 | C19 | 110.9° | 113.6° |
| N17 | C18 | C74 | 114.1° | 112.9° |
| C18 | N17 | H48 | 118.6° | 120.0° |
| C42 | N41 | C20 | 125.8° | 119.9° |
| N41 | C42 | O43 | 122.8° | 120.0° |
| C42 | N41 | H49 | 117.1° | 120.1° |
| N41 | C20 | C19 | 123.1° | 113.6° |
| N41 | C20 | C38 | 113.2° | 112.8° |
| C20 | N41 | H49 | 117.1° | 120.0° |
| C59 | C60 | C61 | 119.5° | 119.9° |
| C60 | C59 | C58 | 121.2° | 120.0° |
| C60 | C59 | H38 | 119.4° | 120.0° |
| C60 | C61 | O64 | 122.5° | 120.1° |
| C60 | C61 | C62 | 119.3° | 119.8° |
| C59 | C58 | C19 | 117.2° | 120.0° |
| C59 | C58 | C63 | 119.4° | 120.1° |
| C58 | C59 | H38 | 119.4° | 119.9° |
| C19 | C18 | C74 | 113.3° | 113.6° |
| C18 | C19 | C20 | 91.0° | 87.1° |
| C18 | C19 | C58 | 141.6° | 113.6° |
| C18 | C19 | H16 | 108.2° | 113.6° |
| C18 | C74 | O75 | 120.1° | 120.0° |
| C18 | C74 | O76 | 119.9° | 120.0° |
| C19 | C20 | C38 | 109.1° | 113.6° |
| C20 | C19 | C58 | 92.2° | 113.6° |
| C20 | C19 | H16 | 107.7° | 113.7° |
| C20 | C38 | O39 | 119.9° | 120.0° |
| C20 | C38 | O40 | 120.1° | 120.0° |
| O64 | C61 | C62 | 118.2° | 120.1° |
| O75 | C74 | O76 | 120.0° | 120.0° |
| C61 | C62 | C63 | 121.2° | 120.0° |
| C61 | C62 | H39 | 119.4° | 120.0° |
| O39 | C38 | O40 | 119.9° | 120.0° |
| C19 | C58 | C63 | 123.1° | 119.9° |
| C58 | C19 | H16 | 107.1° | 112.9° |
| C58 | C63 | C62 | 119.3° | 120.1° |
| C58 | C63 | H40 | 120.4° | 119.9° |
| C74 | O76 | H52 | 109.5° | 117.0° |
| C38 | O40 | H51 | 109.5° | 117.0° |
| C63 | C62 | H39 | 119.4° | 120.0° |
| C62 | C63 | H40 | 120.3° | 120.0° |
| H5 | C01 | H6 | 109.4° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H8 | C03 | H10 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.6° |
| H11 | C04 | H12 | 109.4° | 109.5° |
| H11 | C04 | H13 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.4° | 109.5° |
| H22 | C37 | H23 | 109.5° | 109.5° |
| H22 | C37 | H24 | 109.5° | 109.5° |
| H23 | C37 | H24 | 109.4° | 109.5° |
| H29 | C55 | H30 | 109.4° | 109.5° |
| H29 | C55 | H31 | 109.5° | 109.4° |
| H30 | C55 | H31 | 109.5° | 109.5° |
| H32 | C56 | H33 | 109.5° | 109.5° |
| H32 | C56 | H34 | 109.5° | 109.5° |
| H33 | C56 | H34 | 109.5° | 109.5° |
| H35 | C57 | H36 | 109.5° | 109.4° |
| H35 | C57 | H37 | 109.5° | 109.5° |
| H36 | C57 | H37 | 109.5° | 109.5° |
| H44 | C73 | H45 | 109.5° | 109.5° |
| H44 | C73 | H46 | 109.4° | 109.5° |
| H45 | C73 | H46 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | S35 | H21 | 180.0° | 179.8° |
| C34 | C33 | C32 | H20 | 180.0° | 180.0° |
| C33 | C34 | S35 | C31 | 0.2° | 0.3° |
| C34 | C33 | C32 | C31 | 0.2° | 0.0° |
| C34 | C33 | C32 | H19 | 179.8° | 180.0° |
| S35 | C34 | C33 | C32 | 0.0° | 0.2° |
| C34 | S35 | C31 | C32 | 0.3° | 0.3° |
| C34 | S35 | C31 | C29 | 179.8° | 180.0° |
| S35 | C34 | C33 | H20 | 180.0° | 179.8° |
| C33 | C32 | C31 | S35 | 0.3° | 0.2° |
| C33 | C32 | C31 | H19 | 180.0° | 180.0° |
| C33 | C32 | C31 | C29 | 179.8° | 180.0° |
| C32 | C33 | C34 | H21 | 180.0° | 180.0° |
| S35 | C31 | C32 | C29 | 179.5° | 179.7° |
| S35 | C31 | C29 | O28 | 130.7° | 0.3° |
| S35 | C31 | C29 | O30 | 49.1° | 179.7° |
| S35 | C31 | C32 | H19 | 179.7° | 179.8° |
| C31 | S35 | C34 | H21 | 179.9° | 179.9° |
| C32 | C31 | C29 | O28 | 49.9° | 180.0° |
| C32 | C31 | C29 | O30 | 130.3° | 0.0° |
| C31 | C32 | C33 | H20 | 179.8° | 180.0° |
| C31 | C29 | O28 | O30 | 179.8° | 180.0° |
| C31 | C29 | O28 | C25 | 164.9° | 175.2° |
| C29 | C31 | C32 | H19 | 0.2° | 0.0° |
| C29 | O28 | C25 | C26 | 86.0° | 100.6° |
| C29 | O28 | C25 | C24 | 93.1° | 79.7° |
| O30 | C29 | O28 | C25 | 15.3° | 4.8° |
| O28 | C25 | C26 | C24 | 179.1° | 179.8° |
| O28 | C25 | C24 | O36 | 0.8° | 0.0° |
| O28 | C25 | C26 | C27 | 179.8° | 180.0° |
| O28 | C25 | C24 | C23 | 179.8° | 180.0° |
| O28 | C25 | C26 | H4 | 0.2° | 0.0° |
| C26 | C25 | C24 | O36 | 179.9° | 179.8° |
| C25 | C26 | C27 | H4 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.6° | 0.2° |
| C25 | C26 | C27 | C22 | 1.0° | 0.1° |
| C25 | C26 | C27 | H18 | 179.0° | 180.0° |
| C25 | C24 | O36 | C37 | 111.6° | 180.0° |
| C25 | C24 | O36 | C23 | 179.5° | 180.0° |
| C24 | C25 | C26 | C27 | 0.6° | 0.2° |
| C25 | C24 | C23 | C22 | 0.9° | 0.0° |
| C24 | C25 | C26 | H4 | 179.3° | 179.8° |
| C25 | C24 | C23 | H17 | 179.1° | 180.0° |
| C37 | O36 | C24 | C23 | 68.9° | 0.0° |
| O36 | C37 | H22 | H23 | 120.0° | 120.0° |
| O36 | C37 | H22 | H24 | 120.0° | 119.9° |
| O36 | C37 | H23 | H24 | 120.0° | 120.0° |
| O36 | C24 | C23 | C22 | 179.6° | 180.0° |
| O36 | C24 | C23 | H17 | 0.4° | 0.0° |
| C24 | O36 | C37 | H22 | 180.0° | 180.0° |
| C24 | O36 | C37 | H23 | 60.0° | 60.0° |
| C24 | O36 | C37 | H24 | 60.0° | 60.0° |
| C26 | C27 | C22 | H18 | 180.0° | 179.9° |
| C26 | C27 | C22 | C23 | 1.2° | 0.3° |
| C26 | C27 | C22 | C21 | 179.9° | 180.0° |
| C24 | C23 | C22 | C27 | 1.2° | 0.3° |
| C24 | C23 | C22 | H17 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 180.0° | 180.0° |
| O52 | C51 | N50 | O53 | 179.0° | 180.0° |
| O52 | C51 | N50 | C47 | 140.6° | 5.0° |
| O52 | C51 | O53 | C54 | 66.5° | 0.0° |
| O52 | C51 | N50 | H50 | 39.4° | 175.0° |
| C01 | C02 | C04 | O05 | 118.7° | 120.0° |
| C01 | C02 | C04 | C03 | 117.8° | 120.1° |
| C01 | C02 | O05 | C03 | 117.8° | 120.0° |
| C01 | C02 | O05 | C06 | 165.4° | 60.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.1° |
| C02 | C01 | H5 | H7 | 120.0° | 119.9° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | C03 | H8 | 180.0° | 60.0° |
| C01 | C02 | C03 | H9 | 60.0° | 180.0° |
| C01 | C02 | C03 | H10 | 60.0° | 59.9° |
| C01 | C02 | C04 | H11 | 180.0° | 60.0° |
| C01 | C02 | C04 | H12 | 60.0° | 180.0° |
| C01 | C02 | C04 | H13 | 60.0° | 60.0° |
| C51 | N50 | C47 | H50 | 180.0° | 180.0° |
| C51 | N50 | C47 | C46 | 99.4° | 32.2° |
| C51 | N50 | C47 | C48 | 80.1° | 147.7° |
| N50 | C51 | O53 | C54 | 114.5° | 180.0° |
| C47 | N50 | C51 | O53 | 40.3° | 174.9° |
| N50 | C47 | C46 | C48 | 179.5° | 179.9° |
| N50 | C47 | C46 | C45 | 179.6° | 180.0° |
| N50 | C47 | C48 | C49 | 179.7° | 180.0° |
| N50 | C47 | C46 | H26 | 0.4° | 0.0° |
| N50 | C47 | C48 | H27 | 0.3° | 0.0° |
| C51 | O53 | C54 | C56 | 34.4° | 180.0° |
| C51 | O53 | C54 | C55 | 86.6° | 60.0° |
| C51 | O53 | C54 | C57 | 154.2° | 60.0° |
| O53 | C51 | N50 | H50 | 139.7° | 5.1° |
| C27 | C22 | C23 | C21 | 178.8° | 179.7° |
| C27 | C22 | C21 | C18 | 48.7° | 51.9° |
| C27 | C22 | C21 | C20 | 162.3° | 45.7° |
| C27 | C22 | C21 | H3 | 74.0° | 176.9° |
| C22 | C27 | C26 | H4 | 179.0° | 179.9° |
| C27 | C22 | C23 | H17 | 178.8° | 179.8° |
| C23 | C22 | C21 | C18 | 132.6° | 127.8° |
| C23 | C22 | C21 | C20 | 19.0° | 134.7° |
| C23 | C22 | C21 | H3 | 104.7° | 3.5° |
| C23 | C22 | C27 | H18 | 178.7° | 179.7° |
| C06 | N08 | C09 | H47 | 180.0° | 180.0° |
| N08 | C06 | O05 | C02 | 151.8° | 180.0° |
| N08 | C06 | O05 | O07 | 178.9° | 180.0° |
| C06 | N08 | C09 | C14 | 158.9° | 143.7° |
| C06 | N08 | C09 | C10 | 21.0° | 36.2° |
| C09 | N08 | C06 | O05 | 124.0° | 175.3° |
| N08 | C09 | C14 | C10 | 179.9° | 179.9° |
| N08 | C09 | C14 | C13 | 179.9° | 179.5° |
| C09 | N08 | C06 | O07 | 54.9° | 4.7° |
| N08 | C09 | C10 | C11 | 179.9° | 180.0° |
| N08 | C09 | C10 | H1 | 0.1° | 0.3° |
| N08 | C09 | C14 | H15 | 0.1° | 0.0° |
| C04 | C02 | O05 | C03 | 123.5° | 120.0° |
| C04 | C02 | O05 | C06 | 46.6° | 180.0° |
| C04 | C02 | C01 | H5 | 180.0° | 180.0° |
| C04 | C02 | C01 | H6 | 60.0° | 60.0° |
| C04 | C02 | C01 | H7 | 60.0° | 60.1° |
| C04 | C02 | C03 | H8 | 62.0° | 60.0° |
| C04 | C02 | C03 | H9 | 177.9° | 60.0° |
| C04 | C02 | C03 | H10 | 58.0° | 180.0° |
| C02 | C04 | H11 | H12 | 120.0° | 120.0° |
| C02 | C04 | H11 | H13 | 120.0° | 119.9° |
| C02 | C04 | H12 | H13 | 120.0° | 120.0° |
| C47 | C46 | C45 | H26 | 180.0° | 180.0° |
| C47 | C46 | C45 | C44 | 0.4° | 0.1° |
| C46 | C47 | C48 | C49 | 0.3° | 0.1° |
| C47 | C46 | C45 | H25 | 179.7° | 180.0° |
| C46 | C47 | C48 | H27 | 179.8° | 180.0° |
| C46 | C47 | N50 | H50 | 80.6° | 147.7° |
| C45 | C46 | C47 | C48 | 0.2° | 0.1° |
| C46 | C45 | C44 | H25 | 180.0° | 179.9° |
| C46 | C45 | C44 | C49 | 0.8° | 0.1° |
| C46 | C45 | C44 | C42 | 179.5° | 179.8° |
| S71 | C70 | C69 | H43 | 180.0° | 179.8° |
| C70 | S71 | C67 | C65 | 179.9° | 180.0° |
| C70 | S71 | C67 | C68 | 0.1° | 0.3° |
| S71 | C70 | C69 | C68 | 0.0° | 0.2° |
| S71 | C70 | C69 | H42 | 180.0° | 179.8° |
| C67 | S71 | C70 | C69 | 0.1° | 0.3° |
| S71 | C67 | C65 | O66 | 18.2° | 179.7° |
| S71 | C67 | C65 | C68 | 179.7° | 179.6° |
| S71 | C67 | C68 | C69 | 0.2° | 0.2° |
| S71 | C67 | C65 | O64 | 160.8° | 0.4° |
| S71 | C67 | C68 | H41 | 179.8° | 179.8° |
| C67 | S71 | C70 | H43 | 179.9° | 179.9° |
| C02 | O05 | C06 | O07 | 29.3° | 0.0° |
| O05 | C02 | C01 | H5 | 58.8° | 60.1° |
| O05 | C02 | C01 | H6 | 61.2° | 60.0° |
| O05 | C02 | C01 | H7 | 178.9° | 180.0° |
| O05 | C02 | C03 | H8 | 62.2° | 180.0° |
| O05 | C02 | C03 | H9 | 57.8° | 60.0° |
| O05 | C02 | C03 | H10 | 177.8° | 60.1° |
| O05 | C02 | C04 | H11 | 61.3° | 60.0° |
| O05 | C02 | C04 | H12 | 178.7° | 60.0° |
| O05 | C02 | C04 | H13 | 58.8° | 180.0° |
| C06 | O05 | C02 | C03 | 76.9° | 60.0° |
| O05 | C06 | N08 | H47 | 56.0° | 4.7° |
| C73 | O72 | C60 | C59 | 43.8° | 0.0° |
| C73 | O72 | C60 | C61 | 136.5° | 180.0° |
| O72 | C73 | H44 | H45 | 120.0° | 120.0° |
| O72 | C73 | H44 | H46 | 120.0° | 120.0° |
| O72 | C73 | H45 | H46 | 120.0° | 120.0° |
| C09 | C14 | C13 | H15 | 180.0° | 179.5° |
| C09 | C14 | C13 | C12 | 0.1° | 0.7° |
| C14 | C09 | C10 | C11 | 0.0° | 0.0° |
| C14 | C09 | C10 | H1 | 180.0° | 179.7° |
| C09 | C14 | C13 | H2 | 179.9° | 179.7° |
| C14 | C09 | N08 | H47 | 21.1° | 36.3° |
| C13 | C14 | C09 | C10 | 0.0° | 0.5° |
| C14 | C13 | C12 | H2 | 180.0° | 179.5° |
| C14 | C13 | C12 | C11 | 0.2° | 0.4° |
| C14 | C13 | C12 | C15 | 179.9° | 180.0° |
| C03 | C02 | C01 | H5 | 60.5° | 59.9° |
| C03 | C02 | C01 | H6 | 179.5° | 180.0° |
| C03 | C02 | C01 | H7 | 59.5° | 60.0° |
| C02 | C03 | H8 | H9 | 120.0° | 119.9° |
| C02 | C03 | H8 | H10 | 120.0° | 119.9° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C03 | C02 | C04 | H11 | 62.1° | 180.0° |
| C03 | C02 | C04 | H12 | 57.8° | 60.0° |
| C03 | C02 | C04 | H13 | 177.8° | 60.1° |
| C56 | C54 | C55 | O53 | 121.9° | 120.0° |
| C56 | C54 | C55 | C57 | 118.8° | 120.0° |
| C56 | C54 | O53 | C57 | 119.7° | 120.0° |
| C56 | C54 | C55 | H29 | 180.0° | 60.0° |
| C56 | C54 | C55 | H30 | 60.0° | 60.0° |
| C56 | C54 | C55 | H31 | 60.0° | 180.0° |
| C54 | C56 | H32 | H33 | 120.0° | 120.0° |
| C54 | C56 | H32 | H34 | 120.0° | 120.0° |
| C54 | C56 | H33 | H34 | 120.0° | 120.0° |
| C56 | C54 | C57 | H35 | 180.0° | 179.9° |
| C56 | C54 | C57 | H36 | 60.0° | 60.0° |
| C56 | C54 | C57 | H37 | 60.0° | 60.0° |
| C70 | C69 | C68 | C67 | 0.1° | 0.0° |
| C70 | C69 | C68 | H42 | 180.0° | 180.0° |
| C70 | C69 | C68 | H41 | 179.9° | 180.0° |
| C47 | C48 | C49 | H27 | 180.0° | 179.9° |
| C47 | C48 | C49 | C44 | 0.2° | 0.1° |
| C48 | C47 | C46 | H26 | 179.8° | 179.9° |
| C47 | C48 | C49 | H28 | 179.8° | 179.7° |
| C48 | C47 | N50 | H50 | 100.0° | 32.3° |
| C55 | C54 | O53 | C57 | 119.2° | 120.0° |
| C54 | C55 | H29 | H30 | 120.0° | 120.1° |
| C54 | C55 | H29 | H31 | 120.0° | 120.0° |
| C54 | C55 | H30 | H31 | 120.0° | 120.0° |
| C55 | C54 | C56 | H32 | 180.0° | 180.0° |
| C55 | C54 | C56 | H33 | 60.0° | 60.0° |
| C55 | C54 | C56 | H34 | 60.0° | 60.0° |
| C55 | C54 | C57 | H35 | 60.9° | 60.1° |
| C55 | C54 | C57 | H36 | 179.1° | 180.0° |
| C55 | C54 | C57 | H37 | 59.1° | 60.0° |
| C22 | C21 | C18 | C20 | 130.0° | 114.6° |
| C22 | C21 | C18 | H3 | 122.3° | 130.9° |
| C22 | C21 | C20 | H3 | 123.3° | 130.8° |
| C22 | C21 | C18 | N17 | 4.0° | 25.5° |
| C22 | C21 | C20 | N41 | 9.4° | 25.5° |
| C22 | C21 | C18 | C19 | 116.3° | 140.0° |
| C22 | C21 | C18 | C74 | 128.6° | 105.5° |
| C22 | C21 | C20 | C19 | 115.6° | 140.0° |
| C22 | C21 | C20 | C38 | 135.2° | 105.5° |
| C21 | C22 | C23 | H17 | 0.1° | 0.1° |
| C21 | C22 | C27 | H18 | 0.1° | 0.1° |
| O07 | C06 | N08 | H47 | 125.0° | 175.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | H14 | 179.9° | 179.7° |
| C10 | C09 | C14 | H15 | 180.0° | 180.0° |
| C10 | C09 | N08 | H47 | 159.0° | 143.8° |
| C45 | C44 | C49 | C48 | 0.8° | 0.1° |
| C45 | C44 | C49 | C42 | 178.7° | 179.7° |
| C45 | C44 | C42 | N41 | 53.0° | 0.3° |
| C45 | C44 | C42 | O43 | 127.3° | 179.7° |
| C44 | C45 | C46 | H26 | 179.6° | 179.9° |
| C45 | C44 | C49 | H28 | 179.3° | 179.7° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C13 | C12 | C11 | C15 | 179.7° | 179.6° |
| C13 | C12 | C15 | N17 | 15.7° | 179.9° |
| C13 | C12 | C15 | O16 | 164.6° | 0.1° |
| C13 | C12 | C11 | H14 | 179.8° | 179.9° |
| C12 | C13 | C14 | H15 | 179.9° | 179.8° |
| O53 | C54 | C55 | H29 | 58.1° | 180.0° |
| O53 | C54 | C55 | H30 | 178.0° | 60.0° |
| O53 | C54 | C55 | H31 | 61.9° | 60.0° |
| O53 | C54 | C56 | H32 | 58.6° | 60.0° |
| O53 | C54 | C56 | H33 | 61.4° | 60.0° |
| O53 | C54 | C56 | H34 | 178.6° | 180.0° |
| O53 | C54 | C57 | H35 | 59.0° | 60.0° |
| O53 | C54 | C57 | H36 | 61.0° | 60.0° |
| O53 | C54 | C57 | H37 | 179.0° | 180.0° |
| C57 | C54 | C55 | H29 | 61.2° | 59.9° |
| C57 | C54 | C55 | H30 | 58.8° | 180.0° |
| C57 | C54 | C55 | H31 | 178.8° | 60.0° |
| C57 | C54 | C56 | H32 | 61.2° | 60.0° |
| C57 | C54 | C56 | H33 | 178.8° | 180.0° |
| C57 | C54 | C56 | H34 | 58.8° | 60.0° |
| C54 | C57 | H35 | H36 | 120.0° | 120.0° |
| C54 | C57 | H35 | H37 | 120.0° | 120.0° |
| C54 | C57 | H36 | H37 | 120.0° | 120.0° |
| O66 | C65 | C67 | O64 | 179.1° | 179.9° |
| O66 | C65 | C67 | C68 | 162.1° | 0.1° |
| O66 | C65 | O64 | C61 | 52.2° | 5.1° |
| O72 | C60 | C59 | C61 | 179.7° | 180.0° |
| O72 | C60 | C59 | C58 | 178.4° | 180.0° |
| O72 | C60 | C61 | O64 | 0.1° | 0.0° |
| O72 | C60 | C61 | C62 | 179.6° | 180.0° |
| O72 | C60 | C59 | H38 | 1.6° | 0.0° |
| C60 | O72 | C73 | H44 | 180.0° | 60.0° |
| C60 | O72 | C73 | H45 | 60.0° | 60.0° |
| C60 | O72 | C73 | H46 | 60.0° | 180.0° |
| C65 | C67 | C68 | C69 | 179.9° | 179.9° |
| C67 | C65 | O64 | C61 | 126.8° | 175.0° |
| C65 | C67 | C68 | H41 | 0.1° | 0.1° |
| C67 | C68 | C69 | H41 | 180.0° | 179.9° |
| C68 | C67 | C65 | O64 | 18.8° | 180.0° |
| C67 | C68 | C69 | H42 | 179.9° | 180.0° |
| C68 | C69 | C70 | H43 | 180.0° | 180.0° |
| C10 | C11 | C12 | H14 | 180.0° | 180.0° |
| C10 | C11 | C12 | C15 | 179.9° | 179.5° |
| C48 | C49 | C44 | H28 | 180.0° | 179.8° |
| C48 | C49 | C44 | C42 | 179.4° | 179.8° |
| C65 | O64 | C61 | C60 | 36.6° | 81.4° |
| C65 | O64 | C61 | C62 | 143.8° | 98.7° |
| C49 | C44 | C42 | N41 | 128.3° | 180.0° |
| C49 | C44 | C42 | O43 | 51.4° | 0.0° |
| C49 | C44 | C45 | H25 | 179.2° | 180.0° |
| C44 | C49 | C48 | H27 | 179.8° | 180.0° |
| C44 | C42 | N41 | O43 | 179.7° | 180.0° |
| C44 | C42 | N41 | C20 | 178.4° | 176.1° |
| C42 | C44 | C45 | H25 | 0.5° | 0.4° |
| C42 | C44 | C49 | H28 | 0.6° | 0.1° |
| C44 | C42 | N41 | H49 | 1.6° | 3.8° |
| C18 | C21 | C20 | H3 | 107.7° | 114.6° |
| C21 | C18 | N17 | C15 | 147.5° | 69.9° |
| C21 | C18 | N17 | C19 | 98.1° | 97.4° |
| C21 | C18 | N17 | C74 | 132.5° | 131.3° |
| C18 | C21 | C20 | N41 | 138.4° | 89.1° |
| C21 | C18 | C19 | C74 | 115.7° | 114.5° |
| C18 | C21 | C20 | C19 | 13.3° | 25.5° |
| C18 | C21 | C20 | C38 | 95.8° | 140.0° |
| C21 | C18 | C74 | O75 | 62.2° | 23.9° |
| C21 | C18 | C19 | C58 | 81.1° | 140.0° |
| C21 | C18 | C74 | O76 | 117.8° | 156.1° |
| C21 | C18 | C19 | H16 | 122.7° | 89.2° |
| C21 | C18 | N17 | H48 | 32.5° | 110.2° |
| C20 | C21 | C18 | N17 | 126.0° | 89.1° |
| C21 | C20 | N41 | C42 | 143.4° | 77.5° |
| C21 | C20 | N41 | C19 | 102.7° | 97.5° |
| C21 | C20 | N41 | C38 | 122.5° | 131.4° |
| C20 | C21 | C18 | C74 | 101.4° | 140.0° |
| C21 | C20 | C19 | C38 | 107.3° | 114.6° |
| C21 | C20 | C38 | O39 | 43.0° | 66.9° |
| C21 | C20 | C19 | C58 | 128.1° | 140.0° |
| C21 | C20 | C38 | O40 | 137.0° | 113.0° |
| C21 | C20 | C19 | H16 | 123.2° | 89.2° |
| C21 | C20 | N41 | H49 | 36.6° | 102.4° |
| C11 | C12 | C15 | N17 | 164.0° | 0.5° |
| C11 | C12 | C15 | O16 | 15.6° | 179.5° |
| C12 | C11 | C10 | H1 | 179.9° | 180.0° |
| C11 | C12 | C13 | H2 | 179.8° | 180.0° |
| C12 | C15 | N17 | O16 | 179.6° | 180.0° |
| C12 | C15 | N17 | C18 | 179.5° | 175.8° |
| C15 | C12 | C13 | H2 | 0.1° | 0.5° |
| C15 | C12 | C11 | H14 | 0.1° | 0.6° |
| C12 | C15 | N17 | H48 | 0.6° | 4.1° |
| C15 | N17 | C18 | H48 | 180.0° | 180.0° |
| C15 | N17 | C18 | C19 | 49.4° | 167.3° |
| C15 | N17 | C18 | C74 | 80.0° | 61.4° |
| C18 | N17 | C15 | O16 | 0.2° | 4.2° |
| N17 | C18 | C19 | C74 | 129.8° | 130.9° |
| N17 | C18 | C19 | C20 | 128.2° | 89.1° |
| N17 | C18 | C74 | O75 | 69.9° | 155.1° |
| N17 | C18 | C19 | C58 | 33.4° | 25.5° |
| N17 | C18 | C74 | O76 | 110.1° | 24.9° |
| N17 | C18 | C21 | H3 | 126.3° | 156.3° |
| N17 | C18 | C19 | H16 | 122.8° | 156.3° |
| C42 | N41 | C20 | H49 | 180.0° | 179.9° |
| C42 | N41 | C20 | C19 | 114.0° | 175.0° |
| C42 | N41 | C20 | C38 | 20.8° | 53.8° |
| C20 | N41 | C42 | O43 | 1.9° | 3.9° |
| N41 | C20 | C19 | C18 | 130.0° | 89.2° |
| N41 | C20 | C19 | C38 | 136.4° | 130.8° |
| N41 | C20 | C38 | O39 | 82.9° | 161.7° |
| N41 | C20 | C19 | C58 | 11.7° | 25.3° |
| N41 | C20 | C38 | O40 | 97.1° | 18.4° |
| N41 | C20 | C21 | H3 | 113.9° | 156.3° |
| N41 | C20 | C19 | H16 | 120.5° | 156.2° |
| C60 | C59 | C58 | H38 | 180.0° | 179.9° |
| C59 | C60 | C61 | O64 | 179.5° | 180.0° |
| C59 | C60 | C61 | C62 | 0.0° | 0.0° |
| C60 | C59 | C58 | C19 | 178.3° | 180.0° |
| C60 | C59 | C58 | C63 | 4.2° | 0.3° |
| C61 | C60 | C59 | C58 | 2.0° | 0.0° |
| C60 | C61 | O64 | C62 | 179.5° | 180.0° |
| C60 | C61 | C62 | C63 | 0.3° | 0.2° |
| C61 | C60 | C59 | H38 | 178.0° | 180.0° |
| C60 | C61 | C62 | H39 | 179.7° | 180.0° |
| C59 | C58 | C19 | C18 | 7.5° | 44.8° |
| C59 | C58 | C19 | C20 | 101.9° | 142.3° |
| C59 | C58 | C19 | C63 | 173.8° | 179.7° |
| C59 | C58 | C63 | C62 | 4.4° | 0.5° |
| C59 | C58 | C19 | H16 | 148.9° | 86.4° |
| C59 | C58 | C63 | H40 | 175.6° | 179.7° |
| O43 | C42 | N41 | H49 | 178.1° | 176.1° |
| O16 | C15 | N17 | H48 | 179.8° | 175.8° |
| C18 | C19 | C20 | C58 | 141.7° | 114.5° |
| C18 | C19 | C20 | H16 | 109.5° | 114.6° |
| C18 | C19 | C20 | C38 | 93.6° | 140.0° |
| C19 | C18 | C74 | O75 | 161.9° | 73.6° |
| C18 | C19 | C58 | H16 | 156.4° | 131.2° |
| C18 | C19 | C58 | C63 | 178.7° | 135.5° |
| C19 | C18 | C74 | O76 | 18.2° | 106.4° |
| C19 | C18 | C21 | H3 | 121.4° | 89.1° |
| C19 | C18 | N17 | H48 | 130.6° | 12.7° |
| C74 | C18 | C19 | C20 | 102.0° | 140.0° |
| C18 | C74 | O75 | O76 | 180.0° | 180.0° |
| C74 | C18 | C19 | C58 | 163.2° | 105.5° |
| C74 | C18 | C21 | H3 | 6.3° | 25.4° |
| C74 | C18 | C19 | H16 | 7.0° | 25.3° |
| C74 | C18 | N17 | H48 | 100.0° | 118.6° |
| C18 | C74 | O76 | H52 | 180.0° | 180.0° |
| C19 | C20 | C38 | O39 | 136.1° | 30.6° |
| C20 | C19 | C58 | H16 | 109.3° | 131.3° |
| C20 | C19 | C58 | C63 | 84.3° | 38.0° |
| C19 | C20 | C38 | O40 | 43.9° | 149.6° |
| C19 | C20 | C21 | H3 | 121.0° | 89.1° |
| C19 | C20 | N41 | H49 | 66.1° | 4.9° |
| C20 | C38 | O39 | O40 | 180.0° | 179.9° |
| C38 | C20 | C19 | C58 | 124.6° | 105.5° |
| C38 | C20 | C21 | H3 | 11.9° | 25.4° |
| C38 | C20 | C19 | H16 | 15.9° | 25.4° |
| C38 | C20 | N41 | H49 | 159.1° | 126.3° |
| C20 | C38 | O40 | H51 | 180.0° | 180.0° |
| O64 | C61 | C62 | C63 | 179.3° | 179.8° |
| O64 | C61 | C62 | H39 | 0.7° | 0.0° |
| O75 | C74 | O76 | H52 | 0.0° | 0.0° |
| C61 | C62 | C63 | C58 | 2.5° | 0.4° |
| C61 | C62 | C63 | H39 | 180.0° | 179.8° |
| C61 | C62 | C63 | H40 | 177.5° | 179.7° |
| O39 | C38 | O40 | H51 | 0.0° | 0.1° |
| C19 | C58 | C63 | C62 | 178.1° | 179.8° |
| C19 | C58 | C59 | H38 | 1.7° | 0.1° |
| C19 | C58 | C63 | H40 | 1.9° | 0.0° |
| C58 | C63 | C62 | H40 | 180.0° | 179.9° |
| C63 | C58 | C19 | H16 | 25.0° | 93.3° |
| C63 | C58 | C59 | H38 | 175.8° | 179.8° |
| C58 | C63 | C62 | H39 | 177.5° | 179.8° |
| H1 | C10 | C11 | H14 | 0.1° | 0.0° |
| H2 | C13 | C14 | H15 | 0.1° | 0.3° |
| H4 | C26 | C27 | H18 | 1.0° | 0.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H8 | C03 | H9 | H10 | 120.0° | 120.1° |
| H11 | C04 | H12 | H13 | 120.0° | 120.0° |
| H19 | C32 | C33 | H20 | 0.2° | 0.0° |
| H20 | C33 | C34 | H21 | 0.0° | 0.0° |
| H22 | C37 | H23 | H24 | 120.0° | 120.0° |
| H25 | C45 | C46 | H26 | 0.3° | 0.1° |
| H27 | C48 | C49 | H28 | 0.2° | 0.2° |
| H29 | C55 | H30 | H31 | 120.0° | 119.9° |
| H32 | C56 | H33 | H34 | 120.0° | 120.0° |
| H35 | C57 | H36 | H37 | 120.0° | 120.0° |
| H39 | C62 | C63 | H40 | 2.5° | 0.1° |
| H41 | C68 | C69 | H42 | 0.1° | 0.1° |
| H42 | C69 | C70 | H43 | 0.0° | 0.0° |
| H44 | C73 | H45 | H46 | 120.0° | 120.0° |
