A1LZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C14 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.31Å | 1.33Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.51Å | 1.49Å | |
| C04 | C03 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C05 | C03 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | doub | 1.31Å | 1.33Å | |
| C30 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C01 | O32 | sing | 1.45Å | 1.42Å | |
| C62 | C37 | sing | 1.53Å | 1.52Å | |
| C63 | C33 | sing | 1.51Å | 1.49Å | |
| O32 | C56 | sing | 1.34Å | 1.45Å | |
| O25 | C56 | doub | 1.21Å | 1.21Å | |
| C56 | C49 | sing | 1.51Å | 1.52Å | |
| C55 | O36 | sing | 1.45Å | 1.42Å | |
| C37 | C41 | sing | 1.52Å | 1.48Å | |
| C37 | C31 | sing | 1.54Å | 1.51Å | |
| C33 | C26 | doub | 1.40Å | 1.47Å | Aromatic |
| C33 | C38 | sing | 1.39Å | 1.47Å | Aromatic |
| C59 | C26 | sing | 1.40Å | 1.47Å | Aromatic |
| C59 | C41 | doub | 1.38Å | 1.32Å | Aromatic |
| C50 | C46 | sing | 1.51Å | 1.47Å | |
| C49 | C45 | sing | 1.53Å | 1.53Å | |
| C26 | N11 | sing | 1.38Å | 1.34Å | Aromatic |
| C41 | N10 | sing | 1.32Å | 1.32Å | Aromatic |
| C46 | C38 | sing | 1.46Å | 1.49Å | |
| C46 | O51 | doub | 1.21Å | 1.18Å | |
| C38 | C42 | doub | 1.43Å | 1.47Å | Aromatic |
| O29 | C57 | doub | 1.21Å | 1.20Å | |
| O36 | C57 | sing | 1.34Å | 1.44Å | |
| C31 | C45 | sing | 1.53Å | 1.53Å | |
| C31 | C24 | sing | 1.51Å | 1.49Å | |
| C57 | C53 | sing | 1.51Å | 1.51Å | |
| N11 | C42 | sing | 1.37Å | 1.33Å | Aromatic |
| N10 | C24 | doub | 1.32Å | 1.25Å | Aromatic |
| C42 | C60 | sing | 1.39Å | 1.46Å | Aromatic |
| C24 | C58 | sing | 1.38Å | 1.49Å | Aromatic |
| C58 | C53 | sing | 1.51Å | 1.49Å | |
| C58 | C44 | doub | 1.40Å | 1.47Å | Aromatic |
| C60 | C27 | doub | 1.38Å | 1.46Å | Aromatic |
| C53 | C48 | sing | 1.51Å | 1.49Å | |
| C64 | C34 | sing | 1.53Å | 1.52Å | |
| C44 | N13 | sing | 1.38Å | 1.37Å | Aromatic |
| C44 | C40 | sing | 1.41Å | 1.32Å | Aromatic |
| C27 | N12 | sing | 1.31Å | 1.35Å | Aromatic |
| C27 | C34 | sing | 1.52Å | 1.49Å | |
| N12 | C43 | doub | 1.33Å | 1.38Å | Aromatic |
| N13 | C28 | sing | 1.38Å | 1.35Å | Aromatic |
| C48 | C40 | sing | 1.47Å | 1.44Å | |
| C48 | O54 | doub | 1.21Å | 1.33Å | |
| C40 | C35 | doub | 1.40Å | 1.45Å | Aromatic |
| C34 | C39 | sing | 1.52Å | 1.52Å | |
| C28 | C35 | sing | 1.39Å | 1.46Å | Aromatic |
| C28 | C61 | doub | 1.40Å | 1.44Å | Aromatic |
| C43 | C61 | sing | 1.40Å | 1.45Å | Aromatic |
| C43 | C39 | sing | 1.48Å | 1.45Å | |
| C35 | C65 | sing | 1.51Å | 1.49Å | |
| C39 | C47 | doub | 1.33Å | 1.45Å | |
| C47 | C52 | sing | 1.51Å | 1.47Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.08Å | 1.08Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C06 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C08 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| C09 | H30 | sing | 1.09Å | 1.10Å | |
| C09 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C45 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C47 | H40 | sing | 1.08Å | 1.08Å | |
| C49 | H43 | sing | 1.09Å | 1.10Å | |
| C49 | H44 | sing | 1.09Å | 1.10Å | |
| C50 | H45 | sing | 1.09Å | 1.10Å | |
| C50 | H46 | sing | 1.09Å | 1.10Å | |
| C50 | H47 | sing | 1.09Å | 1.10Å | |
| C52 | H48 | sing | 1.09Å | 1.10Å | |
| C52 | H49 | sing | 1.09Å | 1.10Å | |
| C52 | H50 | sing | 1.09Å | 1.10Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C55 | H52 | sing | 1.09Å | 1.10Å | |
| C55 | H53 | sing | 1.09Å | 1.10Å | |
| C55 | H54 | sing | 1.09Å | 1.10Å | |
| C59 | H55 | sing | 1.09Å | 1.08Å | |
| C60 | H56 | sing | 1.10Å | 1.08Å | |
| C61 | H57 | sing | 1.08Å | 1.08Å | |
| C62 | H58 | sing | 1.09Å | 1.10Å | |
| C62 | H59 | sing | 1.09Å | 1.10Å | |
| C62 | H60 | sing | 1.09Å | 1.10Å | |
| C63 | H61 | sing | 1.09Å | 1.10Å | |
| C63 | H62 | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| C64 | H65 | sing | 1.09Å | 1.10Å | |
| C64 | H66 | sing | 1.09Å | 1.10Å | |
| C65 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | H68 | sing | 1.09Å | 1.10Å | |
| C65 | H69 | sing | 1.09Å | 1.10Å | |
| C31 | H73 | sing | 1.09Å | 1.10Å | |
| C34 | H74 | sing | 1.09Å | 1.10Å | |
| C37 | H75 | sing | 1.09Å | 1.10Å | |
| N11 | H41 | sing | 0.97Å | 1.00Å | |
| N13 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C14 | 109.1° | 109.5° |
| C09 | C08 | C07 | 111.4° | 109.5° |
| C09 | C08 | H28 | 109.0° | 109.4° |
| C08 | C09 | H29 | 109.5° | 109.4° |
| C08 | C09 | H30 | 109.5° | 109.5° |
| C08 | C09 | H31 | 109.5° | 109.4° |
| C14 | C15 | C16 | 105.2° | 109.5° |
| C15 | C14 | C08 | 111.3° | 109.5° |
| C15 | C14 | H1 | 109.0° | 109.4° |
| C15 | C14 | H2 | 109.0° | 109.5° |
| C14 | C15 | H3 | 110.5° | 109.6° |
| C14 | C15 | H4 | 110.5° | 109.4° |
| C15 | C16 | C17 | 122.2° | 120.0° |
| C16 | C15 | H3 | 110.5° | 109.5° |
| C16 | C15 | H4 | 110.5° | 109.4° |
| C15 | C16 | H5 | 118.9° | 120.0° |
| C14 | C08 | C07 | 108.9° | 109.5° |
| C08 | C14 | H1 | 109.0° | 109.4° |
| C08 | C14 | H2 | 109.0° | 109.5° |
| C14 | C08 | H28 | 109.2° | 109.5° |
| C08 | C07 | C06 | 111.0° | 109.5° |
| C08 | C07 | H26 | 109.1° | 109.5° |
| C08 | C07 | H27 | 109.0° | 109.5° |
| C07 | C08 | H28 | 109.1° | 109.5° |
| C18 | C17 | C16 | 123.1° | 120.0° |
| C18 | C17 | C19 | 119.9° | 120.0° |
| C17 | C18 | H6 | 109.5° | 109.4° |
| C17 | C18 | H7 | 109.5° | 109.5° |
| C17 | C18 | H8 | 109.5° | 109.5° |
| C16 | C17 | C19 | 116.9° | 120.0° |
| C17 | C16 | H5 | 118.9° | 120.0° |
| C07 | C06 | C05 | 112.1° | 109.5° |
| C07 | C06 | H24 | 108.8° | 109.5° |
| C07 | C06 | H25 | 108.8° | 109.5° |
| C06 | C07 | H26 | 109.1° | 109.4° |
| C06 | C07 | H27 | 109.1° | 109.5° |
| C06 | C05 | C03 | 109.9° | 109.5° |
| C06 | C05 | H22 | 109.4° | 109.4° |
| C06 | C05 | H23 | 109.4° | 109.5° |
| C05 | C06 | H24 | 108.8° | 109.5° |
| C05 | C06 | H25 | 108.8° | 109.5° |
| C17 | C19 | C20 | 103.8° | 109.5° |
| C17 | C19 | H9 | 110.9° | 109.5° |
| C17 | C19 | H10 | 110.9° | 109.5° |
| C04 | C03 | C05 | 119.9° | 120.0° |
| C04 | C03 | C02 | 118.5° | 120.0° |
| C03 | C04 | H19 | 109.5° | 109.5° |
| C03 | C04 | H20 | 109.5° | 109.5° |
| C03 | C04 | H21 | 109.5° | 109.5° |
| C19 | C20 | C21 | 109.9° | 109.5° |
| C20 | C19 | H9 | 110.9° | 109.5° |
| C20 | C19 | H10 | 110.9° | 109.4° |
| C19 | C20 | H11 | 109.4° | 109.5° |
| C19 | C20 | H12 | 109.4° | 109.4° |
| C20 | C21 | C22 | 108.2° | 109.5° |
| C21 | C20 | H11 | 109.4° | 109.5° |
| C21 | C20 | H12 | 109.3° | 109.5° |
| C20 | C21 | H13 | 109.8° | 109.5° |
| C20 | C21 | H14 | 109.8° | 109.5° |
| C05 | C03 | C02 | 121.6° | 120.0° |
| C03 | C05 | H22 | 109.4° | 109.5° |
| C03 | C05 | H23 | 109.4° | 109.5° |
| C03 | C02 | C01 | 123.6° | 120.0° |
| C03 | C02 | H18 | 118.2° | 120.0° |
| C30 | C22 | C21 | 111.3° | 109.4° |
| C30 | C22 | C23 | 109.3° | 109.5° |
| C30 | C22 | H15 | 110.1° | 109.4° |
| C22 | C30 | H35 | 109.5° | 109.5° |
| C22 | C30 | H36 | 109.5° | 109.5° |
| C22 | C30 | H37 | 109.4° | 109.4° |
| C21 | C22 | C23 | 105.1° | 109.5° |
| C22 | C21 | H13 | 109.7° | 109.4° |
| C22 | C21 | H14 | 109.8° | 109.5° |
| C21 | C22 | H15 | 110.4° | 109.5° |
| C23 | C22 | H15 | 110.4° | 109.5° |
| C22 | C23 | H32 | 109.5° | 109.5° |
| C22 | C23 | H33 | 109.5° | 109.4° |
| C22 | C23 | H34 | 109.5° | 109.4° |
| C02 | C01 | O32 | 107.7° | 109.5° |
| C02 | C01 | H16 | 109.9° | 109.4° |
| C02 | C01 | H17 | 109.9° | 109.5° |
| C01 | C02 | H18 | 118.2° | 119.9° |
| C01 | O32 | C56 | 122.7° | 117.0° |
| O32 | C01 | H16 | 109.9° | 109.5° |
| O32 | C01 | H17 | 109.9° | 109.5° |
| C62 | C37 | C41 | 106.2° | 110.8° |
| C62 | C37 | C31 | 110.7° | 110.8° |
| C37 | C62 | H58 | 109.5° | 109.4° |
| C37 | C62 | H59 | 109.5° | 109.5° |
| C37 | C62 | H60 | 109.5° | 109.5° |
| C62 | C37 | H75 | 112.8° | 110.7° |
| C63 | C33 | C26 | 127.2° | 126.2° |
| C63 | C33 | C38 | 132.2° | 126.2° |
| C33 | C63 | H61 | 109.5° | 109.5° |
| C33 | C63 | H62 | 109.5° | 109.5° |
| C33 | C63 | H63 | 109.5° | 109.5° |
| O32 | C56 | O25 | 115.5° | 120.0° |
| O32 | C56 | C49 | 120.7° | 120.0° |
| O25 | C56 | C49 | 123.8° | 120.0° |
| C56 | C49 | C45 | 116.6° | 109.5° |
| C56 | C49 | H43 | 107.6° | 109.5° |
| C56 | C49 | H44 | 107.6° | 109.4° |
| C55 | O36 | C57 | 122.6° | 117.0° |
| O36 | C55 | H52 | 109.5° | 109.4° |
| O36 | C55 | H53 | 109.5° | 109.5° |
| O36 | C55 | H54 | 109.5° | 109.5° |
| C41 | C37 | C31 | 99.9° | 103.0° |
| C37 | C41 | C59 | 120.0° | 124.6° |
| C37 | C41 | N10 | 112.5° | 109.1° |
| C41 | C37 | H75 | 113.4° | 110.8° |
| C37 | C31 | C45 | 112.7° | 110.7° |
| C37 | C31 | C24 | 102.9° | 103.1° |
| C37 | C31 | H73 | 108.0° | 110.7° |
| C31 | C37 | H75 | 112.9° | 110.7° |
| C26 | C33 | C38 | 100.6° | 107.7° |
| C33 | C26 | C59 | 121.3° | 122.4° |
| C33 | C26 | N11 | 115.7° | 108.4° |
| C33 | C38 | C46 | 130.8° | 126.3° |
| C33 | C38 | C42 | 105.1° | 107.3° |
| C26 | C59 | C41 | 132.3° | 123.5° |
| C59 | C26 | N11 | 122.9° | 129.2° |
| C26 | C59 | H55 | 113.8° | 117.7° |
| C59 | C41 | N10 | 127.5° | 126.3° |
| C41 | C59 | H55 | 113.9° | 118.8° |
| C50 | C46 | C38 | 124.9° | 120.0° |
| C50 | C46 | O51 | 117.3° | 120.0° |
| C46 | C50 | H45 | 109.5° | 109.5° |
| C46 | C50 | H46 | 109.5° | 109.5° |
| C46 | C50 | H47 | 109.4° | 109.5° |
| C49 | C45 | C31 | 112.7° | 109.5° |
| C49 | C45 | H38 | 108.7° | 109.5° |
| C49 | C45 | H39 | 108.7° | 109.5° |
| C45 | C49 | H43 | 107.7° | 109.4° |
| C45 | C49 | H44 | 107.7° | 109.5° |
| C26 | N11 | C42 | 105.4° | 109.2° |
| C26 | N11 | H41 | 127.3° | 125.4° |
| C41 | N10 | C24 | 111.1° | 115.4° |
| C38 | C46 | O51 | 117.8° | 120.0° |
| C46 | C38 | C42 | 124.1° | 126.4° |
| C38 | C42 | N11 | 113.2° | 107.5° |
| C38 | C42 | C60 | 124.4° | 122.1° |
| O29 | C57 | O36 | 114.8° | 119.9° |
| O29 | C57 | C53 | 121.9° | 120.1° |
| O36 | C57 | C53 | 123.3° | 120.0° |
| C45 | C31 | C24 | 116.7° | 110.7° |
| C31 | C45 | H38 | 108.7° | 109.4° |
| C31 | C45 | H39 | 108.7° | 109.5° |
| C45 | C31 | H73 | 107.8° | 110.7° |
| C31 | C24 | N10 | 110.7° | 109.4° |
| C31 | C24 | C58 | 126.7° | 126.2° |
| C24 | C31 | H73 | 108.2° | 110.7° |
| C57 | C53 | C58 | 107.9° | 110.3° |
| C57 | C53 | C48 | 107.0° | 110.3° |
| C57 | C53 | H51 | 113.1° | 110.3° |
| N11 | C42 | C60 | 122.1° | 130.4° |
| C42 | N11 | H41 | 127.3° | 125.4° |
| N10 | C24 | C58 | 122.4° | 124.4° |
| C42 | C60 | C27 | 128.5° | 126.7° |
| C42 | C60 | H56 | 115.7° | 116.8° |
| C24 | C58 | C53 | 128.8° | 127.3° |
| C24 | C58 | C44 | 122.5° | 124.4° |
| C53 | C58 | C44 | 108.7° | 108.3° |
| C58 | C53 | C48 | 101.5° | 105.2° |
| C58 | C53 | H51 | 113.3° | 110.3° |
| C58 | C44 | N13 | 136.1° | 140.9° |
| C58 | C44 | C40 | 109.8° | 111.1° |
| C60 | C27 | N12 | 122.8° | 129.2° |
| C60 | C27 | C34 | 119.8° | 122.4° |
| C27 | C60 | H56 | 115.8° | 116.5° |
| C53 | C48 | C40 | 109.9° | 105.9° |
| C53 | C48 | O54 | 129.7° | 127.0° |
| C48 | C53 | H51 | 113.3° | 110.3° |
| C64 | C34 | C27 | 101.7° | 110.6° |
| C64 | C34 | C39 | 122.7° | 110.7° |
| C34 | C64 | H64 | 109.5° | 109.5° |
| C34 | C64 | H65 | 109.5° | 109.5° |
| C34 | C64 | H66 | 109.5° | 109.5° |
| C64 | C34 | H74 | 110.7° | 110.5° |
| N13 | C44 | C40 | 114.1° | 108.0° |
| C44 | N13 | C28 | 102.0° | 108.5° |
| C44 | N13 | H42 | 129.0° | 125.7° |
| C44 | C40 | C48 | 110.0° | 109.3° |
| C44 | C40 | C35 | 110.1° | 107.4° |
| N12 | C27 | C34 | 117.3° | 108.3° |
| C27 | N12 | C43 | 104.7° | 114.7° |
| C27 | C34 | C39 | 98.5° | 103.5° |
| C27 | C34 | H74 | 111.2° | 110.6° |
| N12 | C43 | C61 | 124.7° | 126.7° |
| N12 | C43 | C39 | 112.8° | 109.7° |
| N13 | C28 | C35 | 115.8° | 108.5° |
| N13 | C28 | C61 | 121.5° | 124.9° |
| C28 | N13 | H42 | 129.0° | 125.8° |
| C40 | C48 | O54 | 120.3° | 127.1° |
| C48 | C40 | C35 | 139.8° | 143.3° |
| C40 | C35 | C28 | 97.9° | 107.6° |
| C40 | C35 | C65 | 126.0° | 126.1° |
| C34 | C39 | C43 | 106.6° | 103.7° |
| C34 | C39 | C47 | 125.8° | 128.1° |
| C39 | C34 | H74 | 110.6° | 110.6° |
| C35 | C28 | C61 | 122.7° | 126.6° |
| C28 | C35 | C65 | 136.1° | 126.3° |
| C28 | C61 | C43 | 121.4° | 120.5° |
| C28 | C61 | H57 | 119.3° | 120.2° |
| C61 | C43 | C39 | 122.4° | 123.6° |
| C43 | C61 | H57 | 119.4° | 119.3° |
| C43 | C39 | C47 | 127.5° | 128.2° |
| C35 | C65 | H67 | 109.5° | 109.4° |
| C35 | C65 | H68 | 109.4° | 109.5° |
| C35 | C65 | H69 | 109.5° | 109.4° |
| C39 | C47 | C52 | 113.8° | 120.0° |
| C39 | C47 | H40 | 123.1° | 119.9° |
| C52 | C47 | H40 | 123.1° | 120.0° |
| C47 | C52 | H48 | 109.5° | 109.5° |
| C47 | C52 | H49 | 109.5° | 109.5° |
| C47 | C52 | H50 | 109.5° | 109.4° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.4° | 109.5° |
| H6 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.4° | 109.4° |
| H11 | C20 | H12 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H16 | C01 | H17 | 109.4° | 109.4° |
| H19 | C04 | H20 | 109.4° | 109.5° |
| H19 | C04 | H21 | 109.5° | 109.4° |
| H20 | C04 | H21 | 109.5° | 109.5° |
| H22 | C05 | H23 | 109.5° | 109.4° |
| H24 | C06 | H25 | 109.5° | 109.4° |
| H26 | C07 | H27 | 109.5° | 109.6° |
| H29 | C09 | H30 | 109.5° | 109.5° |
| H29 | C09 | H31 | 109.5° | 109.5° |
| H30 | C09 | H31 | 109.4° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H32 | C23 | H34 | 109.4° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| H35 | C30 | H37 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.4° |
| H38 | C45 | H39 | 109.5° | 109.4° |
| H43 | C49 | H44 | 109.5° | 109.5° |
| H45 | C50 | H46 | 109.5° | 109.5° |
| H45 | C50 | H47 | 109.4° | 109.5° |
| H46 | C50 | H47 | 109.5° | 109.5° |
| H48 | C52 | H49 | 109.4° | 109.4° |
| H48 | C52 | H50 | 109.5° | 109.5° |
| H49 | C52 | H50 | 109.5° | 109.5° |
| H52 | C55 | H53 | 109.5° | 109.5° |
| H52 | C55 | H54 | 109.4° | 109.5° |
| H53 | C55 | H54 | 109.5° | 109.5° |
| H58 | C62 | H59 | 109.5° | 109.4° |
| H58 | C62 | H60 | 109.5° | 109.5° |
| H59 | C62 | H60 | 109.5° | 109.5° |
| H61 | C63 | H62 | 109.5° | 109.4° |
| H61 | C63 | H63 | 109.5° | 109.4° |
| H62 | C63 | H63 | 109.5° | 109.4° |
| H64 | C64 | H65 | 109.5° | 109.4° |
| H64 | C64 | H66 | 109.5° | 109.5° |
| H65 | C64 | H66 | 109.5° | 109.4° |
| H67 | C65 | H68 | 109.5° | 109.5° |
| H67 | C65 | H69 | 109.5° | 109.5° |
| H68 | C65 | H69 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C14 | C15 | 111.0° | 64.9° |
| C09 | C08 | C14 | C07 | 121.8° | 120.0° |
| C09 | C08 | C14 | H28 | 119.1° | 120.0° |
| C09 | C08 | C07 | H28 | 120.4° | 120.0° |
| C09 | C08 | C07 | C06 | 60.0° | 65.0° |
| C09 | C08 | C14 | H1 | 9.3° | 55.0° |
| C09 | C08 | C14 | H2 | 128.8° | 175.0° |
| C09 | C08 | C07 | H26 | 60.3° | 175.1° |
| C09 | C08 | C07 | H27 | 179.8° | 55.0° |
| C08 | C09 | H29 | H30 | 120.0° | 120.0° |
| C08 | C09 | H29 | H31 | 120.0° | 120.0° |
| C08 | C09 | H30 | H31 | 120.0° | 120.0° |
| C14 | C15 | C16 | H3 | 119.3° | 120.1° |
| C14 | C15 | C16 | H4 | 119.3° | 119.9° |
| C15 | C14 | C08 | H1 | 120.3° | 119.9° |
| C15 | C14 | C08 | H2 | 120.3° | 120.1° |
| C15 | C14 | C08 | C07 | 127.2° | 175.1° |
| C14 | C15 | C16 | C17 | 162.9° | 126.1° |
| C15 | C14 | H1 | H2 | 119.1° | 120.0° |
| C14 | C15 | H3 | H4 | 122.0° | 120.0° |
| C14 | C15 | C16 | H5 | 17.1° | 54.0° |
| C15 | C14 | C08 | H28 | 8.1° | 55.0° |
| C16 | C15 | C14 | C08 | 82.3° | 180.0° |
| C15 | C16 | C17 | C18 | 0.7° | 6.8° |
| C15 | C16 | C17 | H5 | 180.0° | 179.9° |
| C15 | C16 | C17 | C19 | 179.5° | 173.2° |
| C16 | C15 | C14 | H1 | 157.4° | 60.1° |
| C16 | C15 | C14 | H2 | 37.9° | 59.9° |
| C16 | C15 | H3 | H4 | 122.0° | 119.9° |
| C14 | C08 | C07 | H28 | 119.1° | 120.0° |
| C14 | C08 | C07 | C06 | 179.6° | 175.0° |
| C08 | C14 | H1 | H2 | 119.2° | 120.0° |
| C08 | C14 | C15 | H3 | 158.3° | 59.9° |
| C08 | C14 | C15 | H4 | 37.0° | 60.1° |
| C14 | C08 | C07 | H26 | 60.2° | 55.0° |
| C14 | C08 | C07 | H27 | 59.3° | 65.0° |
| C14 | C08 | C09 | H29 | 180.0° | 60.0° |
| C14 | C08 | C09 | H30 | 60.0° | 180.0° |
| C14 | C08 | C09 | H31 | 60.0° | 59.9° |
| C08 | C07 | C06 | H26 | 120.2° | 120.0° |
| C08 | C07 | C06 | H27 | 120.2° | 120.0° |
| C08 | C07 | C06 | C05 | 149.1° | 180.0° |
| C07 | C08 | C14 | H1 | 112.5° | 65.0° |
| C07 | C08 | C14 | H2 | 6.9° | 55.0° |
| C08 | C07 | C06 | H24 | 28.7° | 60.0° |
| C08 | C07 | C06 | H25 | 90.5° | 60.0° |
| C08 | C07 | H26 | H27 | 119.2° | 120.0° |
| C07 | C08 | C09 | H29 | 59.7° | 60.0° |
| C07 | C08 | C09 | H30 | 179.7° | 60.0° |
| C07 | C08 | C09 | H31 | 60.3° | 180.0° |
| C18 | C17 | C16 | C19 | 178.8° | 180.0° |
| C18 | C17 | C19 | C20 | 97.1° | 85.0° |
| C18 | C17 | C16 | H5 | 179.3° | 173.1° |
| C17 | C18 | H6 | H7 | 120.0° | 120.0° |
| C17 | C18 | H6 | H8 | 120.0° | 120.0° |
| C17 | C18 | H7 | H8 | 120.0° | 120.0° |
| C18 | C17 | C19 | H9 | 143.9° | 35.1° |
| C18 | C17 | C19 | H10 | 22.0° | 155.0° |
| C16 | C17 | C19 | C20 | 81.8° | 95.0° |
| C17 | C16 | C15 | H3 | 43.6° | 113.8° |
| C17 | C16 | C15 | H4 | 77.8° | 6.2° |
| C16 | C17 | C18 | H6 | 180.0° | 84.7° |
| C16 | C17 | C18 | H7 | 60.0° | 155.4° |
| C16 | C17 | C18 | H8 | 60.0° | 35.3° |
| C16 | C17 | C19 | H9 | 37.3° | 145.0° |
| C16 | C17 | C19 | H10 | 159.1° | 25.0° |
| C07 | C06 | C05 | H24 | 120.4° | 120.0° |
| C07 | C06 | C05 | H25 | 120.4° | 120.0° |
| C07 | C06 | C05 | C03 | 118.3° | 180.0° |
| C07 | C06 | C05 | H22 | 1.7° | 60.0° |
| C07 | C06 | C05 | H23 | 121.6° | 60.0° |
| C07 | C06 | H24 | H25 | 118.8° | 120.0° |
| C06 | C07 | H26 | H27 | 119.3° | 120.0° |
| C06 | C07 | C08 | H28 | 60.5° | 55.0° |
| C06 | C05 | C03 | C04 | 31.0° | 87.1° |
| C06 | C05 | C03 | H22 | 120.0° | 120.0° |
| C06 | C05 | C03 | H23 | 120.1° | 120.0° |
| C06 | C05 | C03 | C02 | 148.4° | 92.9° |
| C06 | C05 | H22 | H23 | 119.8° | 119.9° |
| C05 | C06 | H24 | H25 | 118.8° | 120.0° |
| C05 | C06 | C07 | H26 | 90.7° | 60.0° |
| C05 | C06 | C07 | H27 | 28.9° | 60.0° |
| C17 | C19 | C20 | H9 | 119.1° | 120.0° |
| C17 | C19 | C20 | H10 | 119.1° | 120.0° |
| C17 | C19 | C20 | C21 | 150.1° | 180.0° |
| C19 | C17 | C16 | H5 | 0.5° | 6.9° |
| C19 | C17 | C18 | H6 | 1.2° | 95.4° |
| C19 | C17 | C18 | H7 | 121.2° | 24.6° |
| C19 | C17 | C18 | H8 | 118.8° | 144.6° |
| C17 | C19 | H9 | H10 | 122.7° | 120.0° |
| C17 | C19 | C20 | H11 | 89.8° | 60.0° |
| C17 | C19 | C20 | H12 | 30.0° | 60.0° |
| C04 | C03 | C05 | C02 | 179.3° | 180.0° |
| C04 | C03 | C02 | C01 | 179.9° | 174.5° |
| C04 | C03 | C02 | H18 | 0.1° | 5.6° |
| C03 | C04 | H19 | H20 | 120.0° | 120.0° |
| C03 | C04 | H19 | H21 | 120.0° | 119.9° |
| C03 | C04 | H20 | H21 | 120.0° | 120.0° |
| C04 | C03 | C05 | H22 | 89.1° | 32.9° |
| C04 | C03 | C05 | H23 | 151.0° | 152.9° |
| C19 | C20 | C21 | H11 | 120.1° | 120.0° |
| C19 | C20 | C21 | H12 | 120.1° | 120.0° |
| C19 | C20 | C21 | C22 | 145.6° | 180.0° |
| C20 | C19 | H9 | H10 | 122.6° | 120.0° |
| C19 | C20 | H11 | H12 | 119.8° | 120.0° |
| C19 | C20 | C21 | H13 | 25.8° | 60.1° |
| C19 | C20 | C21 | H14 | 94.6° | 60.0° |
| C20 | C21 | C22 | C30 | 59.9° | 175.0° |
| C20 | C21 | C22 | H13 | 119.8° | 120.0° |
| C20 | C21 | C22 | H14 | 119.8° | 120.0° |
| C20 | C21 | C22 | C23 | 178.2° | 65.0° |
| C21 | C20 | C19 | H9 | 31.0° | 60.0° |
| C21 | C20 | C19 | H10 | 90.8° | 60.0° |
| C21 | C20 | H11 | H12 | 119.8° | 120.0° |
| C20 | C21 | H13 | H14 | 120.6° | 120.0° |
| C20 | C21 | C22 | H15 | 62.8° | 55.0° |
| C05 | C03 | C02 | C01 | 0.6° | 5.5° |
| C05 | C03 | C02 | H18 | 179.4° | 174.4° |
| C05 | C03 | C04 | H19 | 180.0° | 90.0° |
| C05 | C03 | C04 | H20 | 60.0° | 30.0° |
| C05 | C03 | C04 | H21 | 60.0° | 150.0° |
| C03 | C05 | H22 | H23 | 119.8° | 120.0° |
| C03 | C05 | C06 | H24 | 121.3° | 60.0° |
| C03 | C05 | C06 | H25 | 2.1° | 60.0° |
| C03 | C02 | C01 | H18 | 180.0° | 179.9° |
| C03 | C02 | C01 | O32 | 141.1° | 134.4° |
| C03 | C02 | C01 | H16 | 21.4° | 14.4° |
| C03 | C02 | C01 | H17 | 99.2° | 105.5° |
| C02 | C03 | C04 | H19 | 0.6° | 90.0° |
| C02 | C03 | C04 | H20 | 119.3° | 150.0° |
| C02 | C03 | C04 | H21 | 120.6° | 29.9° |
| C02 | C03 | C05 | H22 | 91.6° | 147.1° |
| C02 | C03 | C05 | H23 | 28.3° | 27.1° |
| C30 | C22 | C21 | C23 | 118.3° | 120.0° |
| C30 | C22 | C21 | H15 | 122.6° | 120.0° |
| C30 | C22 | C23 | H15 | 121.3° | 120.0° |
| C30 | C22 | C21 | H13 | 59.9° | 65.0° |
| C30 | C22 | C21 | H14 | 179.7° | 55.0° |
| C30 | C22 | C23 | H32 | 180.0° | 60.0° |
| C30 | C22 | C23 | H33 | 60.0° | 180.0° |
| C30 | C22 | C23 | H34 | 60.0° | 60.0° |
| C22 | C30 | H35 | H36 | 120.0° | 120.0° |
| C22 | C30 | H35 | H37 | 120.0° | 120.0° |
| C22 | C30 | H36 | H37 | 120.0° | 119.9° |
| C21 | C22 | C23 | H15 | 119.0° | 120.0° |
| C22 | C21 | C20 | H11 | 94.3° | 60.0° |
| C22 | C21 | C20 | H12 | 25.5° | 60.0° |
| C22 | C21 | H13 | H14 | 120.5° | 120.0° |
| C21 | C22 | C23 | H32 | 60.3° | 180.0° |
| C21 | C22 | C23 | H33 | 179.7° | 60.0° |
| C21 | C22 | C23 | H34 | 59.6° | 60.0° |
| C21 | C22 | C30 | H35 | 180.0° | 60.0° |
| C21 | C22 | C30 | H36 | 60.0° | 180.0° |
| C21 | C22 | C30 | H37 | 60.0° | 60.0° |
| C23 | C22 | C21 | H13 | 58.4° | 55.0° |
| C23 | C22 | C21 | H14 | 62.0° | 175.0° |
| C22 | C23 | H32 | H33 | 120.0° | 120.0° |
| C22 | C23 | H32 | H34 | 120.0° | 120.0° |
| C22 | C23 | H33 | H34 | 120.0° | 119.9° |
| C23 | C22 | C30 | H35 | 64.2° | 180.0° |
| C23 | C22 | C30 | H36 | 175.8° | 59.9° |
| C23 | C22 | C30 | H37 | 55.8° | 60.0° |
| C02 | C01 | O32 | H16 | 119.7° | 120.0° |
| C02 | C01 | O32 | H17 | 119.8° | 120.1° |
| C02 | C01 | O32 | C56 | 101.8° | 180.0° |
| C02 | C01 | H16 | H17 | 120.8° | 120.0° |
| C01 | O32 | C56 | O25 | 46.9° | 0.1° |
| C01 | O32 | C56 | C49 | 133.1° | 180.0° |
| O32 | C01 | H16 | H17 | 120.8° | 120.0° |
| O32 | C01 | C02 | H18 | 39.0° | 45.7° |
| C62 | C37 | C41 | C31 | 115.1° | 118.4° |
| C62 | C37 | C41 | H75 | 124.5° | 123.2° |
| C62 | C37 | C31 | H75 | 127.6° | 123.2° |
| C62 | C37 | C41 | C59 | 67.1° | 58.9° |
| C62 | C37 | C41 | N10 | 112.7° | 120.5° |
| C62 | C37 | C31 | C45 | 132.3° | 121.3° |
| C62 | C37 | C31 | C24 | 101.1° | 120.3° |
| C37 | C62 | H58 | H59 | 120.0° | 119.9° |
| C37 | C62 | H58 | H60 | 120.0° | 120.0° |
| C37 | C62 | H59 | H60 | 120.0° | 120.0° |
| C62 | C37 | C31 | H73 | 13.3° | 1.8° |
| C63 | C33 | C26 | C38 | 179.4° | 179.9° |
| C63 | C33 | C26 | C59 | 2.2° | 2.8° |
| C63 | C33 | C26 | N11 | 179.5° | 178.4° |
| C63 | C33 | C38 | C46 | 0.2° | 0.7° |
| C63 | C33 | C38 | C42 | 178.7° | 179.3° |
| C33 | C63 | H61 | H62 | 120.0° | 120.1° |
| C33 | C63 | H61 | H63 | 120.0° | 120.1° |
| C33 | C63 | H62 | H63 | 120.0° | 120.0° |
| O32 | C56 | O25 | C49 | 180.0° | 179.9° |
| O32 | C56 | C49 | C45 | 149.4° | 180.0° |
| C56 | O32 | C01 | H16 | 138.5° | 60.0° |
| C56 | O32 | C01 | H17 | 18.0° | 59.9° |
| O32 | C56 | C49 | H43 | 89.5° | 60.0° |
| O32 | C56 | C49 | H44 | 28.4° | 60.1° |
| O25 | C56 | C49 | C45 | 30.6° | 0.1° |
| O25 | C56 | C49 | H43 | 90.4° | 119.9° |
| O25 | C56 | C49 | H44 | 151.6° | 120.0° |
| C56 | C49 | C45 | H43 | 121.0° | 120.0° |
| C56 | C49 | C45 | H44 | 121.0° | 120.0° |
| C56 | C49 | C45 | C31 | 73.1° | 175.9° |
| C56 | C49 | C45 | H38 | 166.4° | 64.2° |
| C56 | C49 | C45 | H39 | 47.4° | 55.8° |
| C56 | C49 | H43 | H44 | 116.7° | 120.0° |
| C55 | O36 | C57 | O29 | 20.0° | 0.1° |
| C55 | O36 | C57 | C53 | 160.2° | 180.0° |
| O36 | C55 | H52 | H53 | 120.0° | 120.0° |
| O36 | C55 | H52 | H54 | 120.0° | 120.0° |
| O36 | C55 | H53 | H54 | 120.0° | 120.0° |
| C41 | C37 | C31 | H75 | 120.8° | 118.4° |
| C37 | C41 | C59 | C26 | 179.1° | 179.4° |
| C37 | C41 | C59 | N10 | 179.8° | 179.3° |
| C41 | C37 | C31 | C45 | 116.2° | 120.3° |
| C41 | C37 | C31 | C24 | 10.5° | 1.8° |
| C37 | C41 | N10 | C24 | 8.8° | 1.5° |
| C37 | C41 | C59 | H55 | 0.9° | 0.0° |
| C41 | C37 | C62 | H58 | 180.0° | 58.6° |
| C41 | C37 | C62 | H59 | 60.0° | 178.5° |
| C41 | C37 | C62 | H60 | 60.0° | 61.4° |
| C41 | C37 | C31 | H73 | 124.8° | 116.6° |
| C31 | C37 | C41 | C59 | 177.8° | 177.4° |
| C37 | C31 | C45 | C49 | 56.6° | 69.8° |
| C31 | C37 | C41 | N10 | 2.4° | 2.0° |
| C37 | C31 | C45 | C24 | 118.9° | 113.7° |
| C37 | C31 | C45 | H73 | 119.1° | 123.1° |
| C37 | C31 | C24 | H73 | 114.2° | 118.4° |
| C37 | C31 | C24 | N10 | 17.2° | 1.2° |
| C37 | C31 | C24 | C58 | 158.8° | 179.5° |
| C37 | C31 | C45 | H38 | 63.9° | 170.2° |
| C37 | C31 | C45 | H39 | 177.1° | 50.3° |
| C31 | C37 | C62 | H58 | 72.5° | 55.0° |
| C31 | C37 | C62 | H59 | 167.5° | 64.9° |
| C31 | C37 | C62 | H60 | 47.5° | 175.0° |
| C33 | C26 | C59 | N11 | 177.1° | 178.6° |
| C33 | C26 | C59 | C41 | 172.9° | 176.3° |
| C26 | C33 | C38 | C46 | 179.6° | 179.4° |
| C26 | C33 | C38 | C42 | 0.7° | 0.6° |
| C33 | C26 | N11 | C42 | 2.6° | 1.9° |
| C33 | C26 | C59 | H55 | 7.1° | 4.2° |
| C26 | C33 | C63 | H61 | 89.6° | 90.1° |
| C26 | C33 | C63 | H62 | 150.4° | 149.9° |
| C26 | C33 | C63 | H63 | 30.4° | 30.0° |
| C33 | C26 | N11 | H41 | 177.4° | 178.1° |
| C38 | C33 | C26 | C59 | 178.4° | 177.3° |
| C33 | C38 | C46 | C50 | 37.1° | 94.5° |
| C38 | C33 | C26 | N11 | 1.1° | 1.6° |
| C33 | C38 | C46 | C42 | 178.7° | 180.0° |
| C33 | C38 | C46 | O51 | 144.2° | 85.5° |
| C33 | C38 | C42 | N11 | 2.4° | 0.6° |
| C33 | C38 | C42 | C60 | 175.8° | 178.9° |
| C38 | C33 | C63 | H61 | 89.6° | 90.1° |
| C38 | C33 | C63 | H62 | 30.4° | 29.9° |
| C38 | C33 | C63 | H63 | 150.4° | 149.9° |
| C26 | C59 | C41 | H55 | 180.0° | 179.4° |
| C26 | C59 | C41 | N10 | 0.7° | 1.3° |
| C59 | C26 | N11 | C42 | 179.8° | 176.8° |
| C59 | C26 | N11 | H41 | 0.2° | 3.2° |
| C41 | C59 | C26 | N11 | 10.0° | 5.1° |
| C59 | C41 | N10 | C24 | 170.9° | 177.9° |
| C59 | C41 | C37 | H75 | 57.4° | 64.2° |
| C50 | C46 | C38 | O51 | 178.7° | 180.0° |
| C50 | C46 | C38 | C42 | 141.6° | 85.5° |
| C46 | C50 | H45 | H46 | 120.0° | 120.0° |
| C46 | C50 | H45 | H47 | 120.0° | 120.0° |
| C46 | C50 | H46 | H47 | 120.0° | 120.0° |
| C49 | C45 | C31 | H38 | 120.5° | 120.0° |
| C49 | C45 | C31 | H39 | 120.5° | 120.1° |
| C49 | C45 | C31 | C24 | 175.4° | 176.5° |
| C49 | C45 | H38 | H39 | 118.5° | 120.0° |
| C45 | C49 | H43 | H44 | 116.8° | 120.0° |
| C49 | C45 | C31 | H73 | 62.6° | 53.3° |
| C26 | N11 | C42 | C38 | 3.0° | 1.5° |
| C26 | N11 | C42 | H41 | 180.0° | 179.9° |
| C26 | N11 | C42 | C60 | 176.6° | 177.9° |
| N11 | C26 | C59 | H55 | 170.0° | 174.3° |
| C41 | N10 | C24 | C31 | 16.5° | 0.2° |
| C41 | N10 | C24 | C58 | 159.7° | 179.2° |
| N10 | C41 | C59 | H55 | 179.3° | 179.3° |
| N10 | C41 | C37 | H75 | 122.8° | 116.3° |
| C46 | C38 | C42 | N11 | 178.6° | 179.5° |
| C46 | C38 | C42 | C60 | 5.2° | 1.0° |
| C38 | C46 | C50 | H45 | 178.6° | 85.0° |
| C38 | C46 | C50 | H46 | 61.3° | 155.0° |
| C38 | C46 | C50 | H47 | 58.7° | 35.0° |
| O51 | C46 | C38 | C42 | 37.0° | 94.5° |
| O51 | C46 | C50 | H45 | 0.0° | 95.0° |
| O51 | C46 | C50 | H46 | 120.0° | 25.0° |
| O51 | C46 | C50 | H47 | 120.0° | 145.0° |
| C38 | C42 | N11 | C60 | 173.6° | 179.4° |
| C38 | C42 | C60 | C27 | 167.6° | 177.0° |
| C38 | C42 | C60 | H56 | 12.4° | 2.5° |
| C38 | C42 | N11 | H41 | 177.0° | 178.5° |
| O29 | C57 | O36 | C53 | 179.9° | 179.9° |
| O29 | C57 | C53 | C58 | 110.3° | 2.7° |
| O29 | C57 | C53 | C48 | 141.2° | 118.6° |
| O29 | C57 | C53 | H51 | 15.8° | 119.3° |
| O36 | C57 | C53 | C58 | 69.5° | 177.3° |
| O36 | C57 | C53 | C48 | 38.9° | 61.5° |
| O36 | C57 | C53 | H51 | 164.4° | 60.6° |
| C57 | O36 | C55 | H52 | 180.0° | 60.0° |
| C57 | O36 | C55 | H53 | 60.0° | 60.0° |
| C57 | O36 | C55 | H54 | 60.0° | 180.0° |
| C45 | C31 | C24 | H73 | 121.8° | 123.1° |
| C45 | C31 | C24 | N10 | 106.9° | 119.6° |
| C45 | C31 | C24 | C58 | 77.1° | 61.1° |
| C31 | C45 | H38 | H39 | 118.6° | 120.0° |
| C31 | C45 | C49 | H43 | 47.9° | 55.8° |
| C31 | C45 | C49 | H44 | 165.8° | 64.2° |
| C45 | C31 | C37 | H75 | 4.6° | 1.9° |
| C31 | C24 | N10 | C58 | 176.2° | 179.3° |
| C31 | C24 | C58 | C53 | 5.0° | 1.6° |
| C31 | C24 | C58 | C44 | 172.7° | 178.1° |
| C24 | C31 | C45 | H38 | 55.0° | 56.5° |
| C24 | C31 | C45 | H39 | 64.1° | 63.4° |
| C24 | C31 | C37 | H75 | 131.3° | 116.6° |
| C57 | C53 | C58 | C24 | 68.1° | 58.3° |
| C57 | C53 | C58 | C48 | 112.2° | 119.0° |
| C57 | C53 | C58 | H51 | 125.9° | 122.1° |
| C57 | C53 | C58 | C44 | 109.9° | 121.9° |
| C57 | C53 | C48 | H51 | 125.3° | 122.1° |
| C57 | C53 | C48 | C40 | 109.7° | 122.6° |
| C57 | C53 | C48 | O54 | 67.3° | 57.4° |
| N11 | C42 | C60 | C27 | 5.3° | 3.6° |
| N11 | C42 | C60 | H56 | 174.7° | 176.9° |
| N10 | C24 | C58 | C53 | 179.4° | 177.6° |
| N10 | C24 | C58 | C44 | 2.8° | 2.6° |
| N10 | C24 | C31 | H73 | 131.3° | 117.3° |
| C42 | C60 | C27 | H56 | 180.0° | 179.5° |
| C42 | C60 | C27 | N12 | 6.5° | 2.6° |
| C42 | C60 | C27 | C34 | 176.5° | 178.1° |
| C60 | C42 | N11 | H41 | 3.4° | 2.0° |
| C24 | C58 | C53 | C44 | 178.0° | 179.8° |
| C24 | C58 | C53 | C48 | 179.6° | 177.2° |
| C24 | C58 | C44 | N13 | 2.1° | 1.1° |
| C24 | C58 | C44 | C40 | 178.8° | 179.1° |
| C24 | C58 | C53 | H51 | 57.8° | 63.8° |
| C58 | C24 | C31 | H73 | 44.6° | 62.1° |
| C58 | C53 | C48 | H51 | 121.8° | 118.9° |
| C53 | C58 | C44 | N13 | 179.8° | 178.7° |
| C53 | C58 | C44 | C40 | 0.6° | 1.1° |
| C58 | C53 | C48 | C40 | 3.3° | 3.6° |
| C58 | C53 | C48 | O54 | 179.8° | 176.4° |
| C44 | C58 | C53 | C48 | 2.3° | 3.0° |
| C58 | C44 | N13 | C40 | 179.1° | 179.8° |
| C58 | C44 | N13 | C28 | 179.6° | 178.3° |
| C58 | C44 | C40 | C48 | 1.5° | 1.3° |
| C58 | C44 | C40 | C35 | 179.2° | 179.0° |
| C44 | C58 | C53 | H51 | 124.2° | 116.0° |
| C58 | C44 | N13 | H42 | 0.4° | 1.7° |
| C60 | C27 | C34 | C64 | 55.6° | 59.4° |
| C60 | C27 | N12 | C34 | 177.1° | 179.4° |
| C60 | C27 | N12 | C43 | 177.3° | 178.0° |
| C60 | C27 | C34 | C39 | 178.3° | 178.0° |
| C60 | C27 | C34 | H74 | 62.2° | 63.5° |
| C53 | C48 | C40 | C44 | 3.2° | 3.1° |
| C53 | C48 | C40 | O54 | 177.3° | 180.0° |
| C53 | C48 | C40 | C35 | 179.8° | 177.3° |
| C64 | C34 | C27 | N12 | 127.2° | 120.0° |
| C64 | C34 | C27 | C39 | 126.1° | 118.6° |
| C64 | C34 | C27 | H74 | 117.8° | 122.9° |
| C64 | C34 | C39 | H74 | 133.6° | 122.9° |
| C64 | C34 | C39 | C43 | 111.4° | 119.6° |
| C64 | C34 | C39 | C47 | 70.4° | 60.4° |
| C34 | C64 | H64 | H65 | 120.0° | 120.0° |
| C34 | C64 | H64 | H66 | 120.0° | 120.1° |
| C34 | C64 | H65 | H66 | 120.0° | 120.0° |
| C44 | N13 | C28 | H42 | 180.0° | 180.0° |
| N13 | C44 | C40 | C48 | 177.8° | 178.8° |
| N13 | C44 | C40 | C35 | 0.1° | 0.9° |
| C44 | N13 | C28 | C35 | 0.9° | 1.5° |
| C44 | N13 | C28 | C61 | 178.9° | 178.2° |
| C40 | C44 | N13 | C28 | 0.5° | 1.5° |
| C44 | C40 | C48 | C35 | 176.6° | 179.6° |
| C44 | C40 | C48 | O54 | 179.6° | 176.9° |
| C44 | C40 | C35 | C28 | 0.6° | 0.0° |
| C44 | C40 | C35 | C65 | 179.5° | 180.0° |
| C40 | C44 | N13 | H42 | 179.5° | 178.5° |
| N12 | C27 | C34 | C39 | 1.1° | 1.4° |
| C27 | N12 | C43 | C61 | 178.5° | 178.6° |
| C27 | N12 | C43 | C39 | 1.0° | 0.7° |
| N12 | C27 | C60 | H56 | 173.5° | 176.9° |
| N12 | C27 | C34 | H74 | 115.0° | 117.1° |
| C34 | C27 | N12 | C43 | 0.2° | 1.4° |
| C27 | C34 | C39 | H74 | 116.5° | 118.5° |
| C27 | C34 | C39 | C43 | 1.5° | 1.0° |
| C27 | C34 | C39 | C47 | 179.7° | 178.9° |
| C34 | C27 | C60 | H56 | 3.5° | 2.4° |
| C27 | C34 | C64 | H64 | 180.0° | 64.1° |
| C27 | C34 | C64 | H65 | 60.0° | 175.9° |
| C27 | C34 | C64 | H66 | 60.0° | 55.9° |
| N12 | C43 | C39 | C34 | 1.7° | 0.3° |
| N12 | C43 | C61 | C28 | 3.8° | 2.5° |
| N12 | C43 | C61 | C39 | 177.3° | 179.2° |
| N12 | C43 | C39 | C47 | 179.8° | 179.6° |
| N12 | C43 | C61 | H57 | 176.2° | 177.5° |
| N13 | C28 | C35 | C40 | 1.0° | 0.9° |
| N13 | C28 | C35 | C61 | 179.8° | 179.7° |
| N13 | C28 | C61 | C43 | 1.5° | 1.3° |
| N13 | C28 | C35 | C65 | 179.7° | 179.1° |
| N13 | C28 | C61 | H57 | 178.5° | 178.8° |
| C48 | C40 | C35 | C28 | 177.2° | 179.6° |
| C48 | C40 | C35 | C65 | 3.9° | 0.4° |
| C40 | C48 | C53 | H51 | 125.1° | 115.3° |
| O54 | C48 | C40 | C35 | 2.9° | 2.7° |
| O54 | C48 | C53 | H51 | 58.0° | 64.7° |
| C40 | C35 | C28 | C65 | 178.7° | 180.0° |
| C40 | C35 | C28 | C61 | 178.8° | 178.8° |
| C40 | C35 | C65 | H67 | 89.4° | 180.0° |
| C40 | C35 | C65 | H68 | 150.7° | 60.0° |
| C40 | C35 | C65 | H69 | 30.6° | 60.1° |
| C34 | C39 | C43 | C61 | 179.3° | 179.6° |
| C34 | C39 | C43 | C47 | 178.1° | 179.9° |
| C34 | C39 | C47 | C52 | 2.0° | 5.8° |
| C34 | C39 | C47 | H40 | 178.0° | 174.2° |
| C39 | C34 | C64 | H64 | 71.8° | 178.3° |
| C39 | C34 | C64 | H65 | 48.2° | 61.7° |
| C39 | C34 | C64 | H66 | 168.2° | 58.2° |
| C35 | C28 | C61 | C43 | 178.3° | 179.1° |
| C35 | C28 | C61 | H57 | 1.7° | 0.8° |
| C28 | C35 | C65 | H67 | 89.1° | 0.0° |
| C28 | C35 | C65 | H68 | 30.9° | 120.0° |
| C28 | C35 | C65 | H69 | 150.9° | 120.0° |
| C35 | C28 | N13 | H42 | 179.1° | 178.5° |
| C28 | C61 | C43 | H57 | 180.0° | 179.9° |
| C28 | C61 | C43 | C39 | 178.9° | 178.3° |
| C61 | C28 | C35 | C65 | 0.1° | 1.2° |
| C61 | C28 | N13 | H42 | 1.1° | 1.8° |
| C61 | C43 | C39 | C47 | 2.6° | 0.3° |
| C43 | C39 | C47 | C52 | 179.8° | 174.3° |
| C43 | C39 | C47 | H40 | 0.2° | 5.7° |
| C39 | C43 | C61 | H57 | 1.1° | 1.8° |
| C43 | C39 | C34 | H74 | 115.0° | 117.5° |
| C35 | C65 | H67 | H68 | 120.0° | 120.0° |
| C35 | C65 | H67 | H69 | 120.0° | 119.9° |
| C35 | C65 | H68 | H69 | 120.0° | 120.0° |
| C39 | C47 | C52 | H40 | 180.0° | 179.9° |
| C39 | C47 | C52 | H48 | 180.0° | 34.7° |
| C39 | C47 | C52 | H49 | 60.0° | 154.7° |
| C39 | C47 | C52 | H50 | 60.0° | 85.3° |
| C47 | C39 | C34 | H74 | 63.2° | 62.5° |
| C47 | C52 | H48 | H49 | 120.0° | 120.0° |
| C47 | C52 | H48 | H50 | 120.0° | 120.0° |
| C47 | C52 | H49 | H50 | 120.0° | 120.0° |
| H1 | C14 | C15 | H3 | 38.0° | 60.0° |
| H1 | C14 | C15 | H4 | 83.3° | 180.0° |
| H1 | C14 | C08 | H28 | 128.4° | 175.0° |
| H2 | C14 | C15 | H3 | 81.4° | 180.0° |
| H2 | C14 | C15 | H4 | 157.3° | 60.0° |
| H2 | C14 | C08 | H28 | 112.1° | 65.1° |
| H3 | C15 | C16 | H5 | 136.4° | 66.1° |
| H4 | C15 | C16 | H5 | 102.2° | 173.9° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H9 | C19 | C20 | H11 | 151.1° | 180.0° |
| H9 | C19 | C20 | H12 | 89.1° | 60.0° |
| H10 | C19 | C20 | H11 | 29.3° | 60.1° |
| H10 | C19 | C20 | H12 | 149.1° | 180.0° |
| H11 | C20 | C21 | H13 | 145.9° | 179.9° |
| H11 | C20 | C21 | H14 | 25.5° | 60.0° |
| H12 | C20 | C21 | H13 | 94.3° | 59.9° |
| H12 | C20 | C21 | H14 | 145.3° | 180.0° |
| H13 | C21 | C22 | H15 | 177.4° | 175.0° |
| H14 | C21 | C22 | H15 | 57.0° | 65.0° |
| H15 | C22 | C23 | H32 | 58.7° | 60.0° |
| H15 | C22 | C23 | H33 | 61.3° | 60.0° |
| H15 | C22 | C23 | H34 | 178.7° | 180.0° |
| H15 | C22 | C30 | H35 | 57.3° | 60.0° |
| H15 | C22 | C30 | H36 | 62.8° | 60.1° |
| H15 | C22 | C30 | H37 | 177.2° | 180.0° |
| H16 | C01 | C02 | H18 | 158.7° | 165.7° |
| H17 | C01 | C02 | H18 | 80.8° | 74.4° |
| H19 | C04 | H20 | H21 | 120.0° | 120.0° |
| H22 | C05 | C06 | H24 | 118.6° | 180.0° |
| H22 | C05 | C06 | H25 | 122.1° | 60.0° |
| H23 | C05 | C06 | H24 | 1.3° | 60.1° |
| H23 | C05 | C06 | H25 | 118.0° | 180.0° |
| H24 | C06 | C07 | H26 | 148.9° | 180.0° |
| H24 | C06 | C07 | H27 | 91.5° | 60.0° |
| H25 | C06 | C07 | H26 | 29.7° | 60.0° |
| H25 | C06 | C07 | H27 | 149.3° | 180.0° |
| H26 | C07 | C08 | H28 | 179.3° | 65.0° |
| H27 | C07 | C08 | H28 | 59.8° | 174.9° |
| H28 | C08 | C09 | H29 | 60.8° | NaN° |
| H28 | C08 | C09 | H30 | 59.2° | 60.0° |
| H28 | C08 | C09 | H31 | 179.2° | 60.0° |
| H29 | C09 | H30 | H31 | 120.0° | 120.0° |
| H32 | C23 | H33 | H34 | 119.9° | 120.0° |
| H35 | C30 | H36 | H37 | 120.0° | 120.0° |
| H38 | C45 | C49 | H43 | 72.6° | 175.8° |
| H38 | C45 | C49 | H44 | 45.3° | 55.8° |
| H38 | C45 | C31 | H73 | 177.0° | 66.7° |
| H39 | C45 | C49 | H43 | 168.4° | 64.2° |
| H39 | C45 | C49 | H44 | 73.7° | 175.8° |
| H39 | C45 | C31 | H73 | 57.9° | 173.4° |
| H40 | C47 | C52 | H48 | 0.0° | 145.2° |
| H40 | C47 | C52 | H49 | 120.0° | 25.2° |
| H40 | C47 | C52 | H50 | 120.0° | 94.8° |
| H45 | C50 | H46 | H47 | 120.0° | 120.0° |
| H48 | C52 | H49 | H50 | 120.0° | 120.0° |
| H52 | C55 | H53 | H54 | 119.9° | 120.0° |
| H58 | C62 | H59 | H60 | 120.0° | 120.1° |
| H58 | C62 | C37 | H75 | 55.2° | 178.2° |
| H59 | C62 | C37 | H75 | 64.8° | 58.3° |
| H60 | C62 | C37 | H75 | 175.2° | 61.8° |
| H61 | C63 | H62 | H63 | 120.0° | 119.9° |
| H64 | C64 | H65 | H66 | 120.0° | 120.0° |
| H64 | C64 | C34 | H74 | 61.8° | 58.8° |
| H65 | C64 | C34 | H74 | 178.2° | 61.2° |
| H66 | C64 | C34 | H74 | 58.2° | 178.8° |
| H67 | C65 | H68 | H69 | 120.0° | 120.1° |
| H73 | C31 | C37 | H75 | 114.4° | 125.0° |
