A1D76
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C16 | sing | 1.36Å | 1.42Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| O23 | C13 | doub | 1.22Å | 1.19Å | |
| C13 | C14 | sing | 1.47Å | 1.52Å | |
| C13 | O12 | sing | 1.35Å | 1.37Å | |
| C14 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.38Å | |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| O47 | C28 | doub | 1.22Å | 1.21Å | |
| O24 | C25 | sing | 1.41Å | 1.43Å | |
| O24 | C11 | sing | 1.41Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C26 | O27 | sing | 1.45Å | 1.40Å | |
| C25 | C08 | sing | 1.51Å | 1.52Å | |
| O12 | C11 | sing | 1.45Å | 1.39Å | |
| O60 | C59 | sing | 1.43Å | 1.43Å | |
| C28 | O27 | sing | 1.31Å | 1.40Å | |
| C28 | C29 | sing | 1.46Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C22 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | O21 | sing | 1.36Å | 1.42Å | |
| O63 | C61 | doub | 1.21Å | 1.22Å | |
| C59 | C61 | sing | 1.49Å | 1.54Å | |
| C59 | C58 | sing | 1.51Å | 1.51Å | |
| O07 | C08 | sing | 1.45Å | 1.46Å | |
| O07 | C06 | sing | 1.32Å | 1.42Å | |
| C61 | O62 | sing | 1.33Å | 1.40Å | |
| C08 | C09 | sing | 1.52Å | 1.49Å | |
| C29 | C30 | doub | 1.39Å | 1.37Å | Aromatic |
| C29 | C37 | sing | 1.41Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C58 | C05 | sing | 1.53Å | 1.57Å | |
| C58 | C57 | sing | 1.50Å | 1.56Å | |
| C10 | O48 | sing | 1.45Å | 1.42Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| O48 | C49 | sing | 1.34Å | 1.39Å | |
| C05 | C06 | sing | 1.52Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| O42 | C41 | sing | 1.36Å | 1.40Å | |
| O40 | C39 | sing | 1.36Å | 1.46Å | |
| C09 | O65 | sing | 1.43Å | 1.41Å | |
| C41 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C43 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.41Å | 1.38Å | Aromatic |
| C06 | O68 | doub | 1.21Å | 1.16Å | |
| O65 | C66 | sing | 1.33Å | 1.43Å | |
| O44 | C43 | sing | 1.36Å | 1.39Å | |
| C43 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.47Å | 1.56Å | |
| C38 | C46 | doub | 1.40Å | 1.40Å | Aromatic |
| C37 | C35 | doub | 1.40Å | 1.38Å | Aromatic |
| O62 | C56 | sing | 1.35Å | 1.44Å | |
| O03 | C02 | doub | 1.21Å | 1.27Å | |
| C31 | O32 | sing | 1.36Å | 1.43Å | |
| C31 | C33 | doub | 1.39Å | 1.37Å | Aromatic |
| C45 | C46 | sing | 1.40Å | 1.39Å | Aromatic |
| C46 | C66 | sing | 1.48Å | 1.56Å | |
| C57 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C57 | C50 | sing | 1.41Å | 1.43Å | Aromatic |
| C66 | O67 | doub | 1.21Å | 1.17Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | sing | 1.34Å | 1.23Å | |
| C49 | C50 | sing | 1.47Å | 1.52Å | |
| C49 | O64 | doub | 1.21Å | 1.15Å | |
| C56 | C54 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | O36 | sing | 1.36Å | 1.37Å | |
| C50 | C51 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | O34 | sing | 1.36Å | 1.38Å | |
| C54 | O55 | sing | 1.36Å | 1.36Å | |
| C54 | C52 | doub | 1.39Å | 1.40Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.40Å | Aromatic |
| C52 | O53 | sing | 1.36Å | 1.39Å | |
| C10 | H1 | sing | 1.11Å | 1.10Å | |
| C11 | H2 | sing | 1.11Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.11Å | 1.10Å | |
| C09 | H7 | sing | 1.14Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.11Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C45 | H14 | sing | 1.08Å | 1.08Å | |
| C51 | H15 | sing | 1.08Å | 1.08Å | |
| C58 | H16 | sing | 1.11Å | 1.10Å | |
| C59 | H17 | sing | 1.09Å | 1.10Å | |
| O01 | H18 | sing | 0.97Å | 0.95Å | |
| O17 | H19 | sing | 0.97Å | 0.95Å | |
| O19 | H20 | sing | 0.97Å | 0.95Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| O32 | H22 | sing | 0.97Å | 0.95Å | |
| O34 | H23 | sing | 0.97Å | 0.95Å | |
| O36 | H24 | sing | 0.97Å | 0.95Å | |
| O40 | H25 | sing | 0.97Å | 0.95Å | |
| O42 | H26 | sing | 0.97Å | 0.95Å | |
| O44 | H27 | sing | 0.97Å | 0.95Å | |
| O53 | H28 | sing | 0.97Å | 0.95Å | |
| O55 | H29 | sing | 0.97Å | 0.95Å | |
| O60 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | C15 | 119.7° | 120.0° |
| O17 | C16 | C18 | 120.4° | 119.9° |
| C16 | O17 | H19 | 109.5° | 114.0° |
| C16 | C15 | C14 | 118.7° | 119.9° |
| C15 | C16 | C18 | 119.9° | 120.1° |
| C16 | C15 | H8 | 120.7° | 120.0° |
| C15 | C14 | C13 | 119.8° | 120.1° |
| C15 | C14 | C22 | 122.3° | 119.9° |
| C14 | C15 | H8 | 120.7° | 120.0° |
| C16 | C18 | O19 | 120.2° | 120.0° |
| C16 | C18 | C20 | 120.5° | 120.1° |
| O23 | C13 | C14 | 121.8° | 120.0° |
| O23 | C13 | O12 | 121.9° | 120.0° |
| C14 | C13 | O12 | 116.3° | 120.0° |
| C13 | C14 | C22 | 117.9° | 120.0° |
| C13 | O12 | C11 | 112.9° | 117.0° |
| C14 | C22 | C20 | 119.0° | 119.9° |
| C14 | C22 | H9 | 120.5° | 120.0° |
| O19 | C18 | C20 | 119.3° | 120.0° |
| C18 | O19 | H20 | 109.5° | 114.0° |
| C18 | C20 | C22 | 119.7° | 120.1° |
| C18 | C20 | O21 | 119.3° | 119.9° |
| O47 | C28 | O27 | 121.3° | 115.4° |
| O47 | C28 | C29 | 121.6° | 115.4° |
| C25 | O24 | C11 | 119.4° | 119.8° |
| O24 | C25 | C26 | 109.1° | 112.1° |
| O24 | C25 | C08 | 110.8° | 112.3° |
| O24 | C25 | H10 | 108.3° | 107.7° |
| O24 | C11 | O12 | 109.0° | 110.8° |
| O24 | C11 | C10 | 116.8° | 115.3° |
| O24 | C11 | H2 | 108.4° | 107.3° |
| C25 | C26 | O27 | 109.6° | 109.4° |
| C26 | C25 | C08 | 114.4° | 111.5° |
| C26 | C25 | H10 | 106.9° | 105.1° |
| C25 | C26 | H11 | 109.4° | 110.4° |
| C25 | C26 | H12 | 109.4° | 108.9° |
| C26 | O27 | C28 | 120.7° | 122.1° |
| O27 | C26 | H11 | 109.4° | 110.3° |
| O27 | C26 | H12 | 109.4° | 109.0° |
| C25 | C08 | O07 | 99.6° | 112.0° |
| C25 | C08 | C09 | 116.2° | 114.3° |
| C25 | C08 | H6 | 109.6° | 108.5° |
| C08 | C25 | H10 | 107.1° | 107.7° |
| O12 | C11 | C10 | 104.9° | 110.4° |
| O12 | C11 | H2 | 109.6° | 105.7° |
| O60 | C59 | C61 | 105.0° | 108.8° |
| O60 | C59 | C58 | 107.3° | 108.6° |
| O60 | C59 | H17 | 110.4° | 108.4° |
| C59 | O60 | H30 | 109.5° | 114.0° |
| O27 | C28 | C29 | 117.0° | 129.2° |
| C28 | C29 | C30 | 117.8° | 120.7° |
| C28 | C29 | C37 | 121.9° | 119.4° |
| C11 | C10 | O48 | 107.7° | 111.9° |
| C11 | C10 | C09 | 112.4° | 116.1° |
| C11 | C10 | H1 | 108.7° | 107.6° |
| C10 | C11 | H2 | 108.0° | 106.8° |
| C22 | C20 | O21 | 121.0° | 120.0° |
| C20 | C22 | H9 | 120.5° | 120.1° |
| C20 | O21 | H21 | 109.5° | 114.0° |
| O63 | C61 | C59 | 123.2° | 118.7° |
| O63 | C61 | O62 | 123.5° | 118.7° |
| C61 | C59 | C58 | 115.8° | 113.3° |
| C59 | C61 | O62 | 113.3° | 122.5° |
| C61 | C59 | H17 | 108.9° | 108.9° |
| C59 | C58 | C05 | 113.3° | 110.9° |
| C59 | C58 | C57 | 109.0° | 111.1° |
| C59 | C58 | H16 | 108.4° | 106.5° |
| C58 | C59 | H17 | 109.3° | 108.7° |
| C08 | O07 | C06 | 122.2° | 124.3° |
| O07 | C08 | C09 | 110.6° | 107.8° |
| O07 | C08 | H6 | 110.5° | 106.1° |
| O07 | C06 | C05 | 115.6° | 120.2° |
| O07 | C06 | O68 | 122.0° | 122.5° |
| C61 | O62 | C56 | 123.0° | 120.7° |
| C08 | C09 | C10 | 113.1° | 116.2° |
| C08 | C09 | O65 | 111.7° | 114.0° |
| C09 | C08 | H6 | 110.0° | 107.7° |
| C08 | C09 | H7 | 109.4° | 103.1° |
| C30 | C29 | C37 | 120.2° | 119.9° |
| C29 | C30 | C31 | 119.5° | 120.7° |
| C29 | C30 | H13 | 120.2° | 119.8° |
| C29 | C37 | C38 | 124.1° | 122.9° |
| C29 | C37 | C35 | 119.3° | 118.7° |
| C30 | C31 | O32 | 119.8° | 120.0° |
| C30 | C31 | C33 | 120.5° | 119.9° |
| C31 | C30 | H13 | 120.2° | 119.5° |
| C05 | C58 | C57 | 110.7° | 112.2° |
| C58 | C05 | C06 | 108.0° | 109.2° |
| C58 | C05 | C04 | 114.2° | 110.9° |
| C58 | C05 | H5 | 108.7° | 109.4° |
| C05 | C58 | H16 | 107.6° | 107.9° |
| C58 | C57 | C56 | 117.9° | 121.2° |
| C58 | C57 | C50 | 122.3° | 120.2° |
| C57 | C58 | H16 | 107.7° | 107.9° |
| O48 | C10 | C09 | 109.9° | 108.3° |
| C10 | O48 | C49 | 113.7° | 120.3° |
| O48 | C10 | H1 | 109.8° | 105.3° |
| C10 | C09 | O65 | 103.0° | 113.9° |
| C09 | C10 | H1 | 108.3° | 107.1° |
| C10 | C09 | H7 | 108.8° | 104.0° |
| O48 | C49 | C50 | 119.0° | 121.2° |
| O48 | C49 | O64 | 121.4° | 118.9° |
| C06 | C05 | C04 | 107.0° | 109.5° |
| C05 | C06 | O68 | 122.4° | 117.3° |
| C06 | C05 | H5 | 109.2° | 108.5° |
| C05 | C04 | C02 | 110.1° | 109.5° |
| C05 | C04 | H3 | 109.3° | 109.5° |
| C05 | C04 | H4 | 109.3° | 109.5° |
| C04 | C05 | H5 | 109.5° | 109.3° |
| O42 | C41 | C39 | 120.8° | 119.7° |
| O42 | C41 | C43 | 118.8° | 119.9° |
| C41 | O42 | H26 | 109.5° | 114.1° |
| O40 | C39 | C41 | 119.2° | 119.1° |
| O40 | C39 | C38 | 120.1° | 120.4° |
| C39 | O40 | H25 | 109.5° | 114.0° |
| C09 | O65 | C66 | 116.1° | 125.6° |
| O65 | C09 | H7 | 110.6° | 103.4° |
| C39 | C41 | C43 | 120.5° | 120.4° |
| C41 | C39 | C38 | 120.8° | 120.5° |
| C41 | C43 | O44 | 119.2° | 120.0° |
| C41 | C43 | C45 | 119.5° | 119.9° |
| C39 | C38 | C37 | 117.7° | 117.7° |
| C39 | C38 | C46 | 118.5° | 118.6° |
| O65 | C66 | C46 | 114.6° | 118.1° |
| O65 | C66 | O67 | 122.2° | 121.8° |
| O44 | C43 | C45 | 121.4° | 120.0° |
| C43 | O44 | H27 | 109.5° | 114.0° |
| C43 | C45 | C46 | 120.0° | 120.4° |
| C43 | C45 | H14 | 120.0° | 119.7° |
| C37 | C38 | C46 | 123.8° | 123.7° |
| C38 | C37 | C35 | 116.5° | 118.4° |
| C38 | C46 | C45 | 120.8° | 120.2° |
| C38 | C46 | C66 | 121.5° | 122.1° |
| C37 | C35 | C33 | 120.4° | 120.6° |
| C37 | C35 | O36 | 118.6° | 120.5° |
| O62 | C56 | C57 | 121.1° | 122.0° |
| O62 | C56 | C54 | 118.4° | 117.2° |
| O03 | C02 | C04 | 119.9° | 120.0° |
| O03 | C02 | O01 | 119.7° | 120.0° |
| O32 | C31 | C33 | 119.7° | 120.1° |
| C31 | O32 | H22 | 109.5° | 114.0° |
| C31 | C33 | C35 | 119.9° | 120.1° |
| C31 | C33 | O34 | 120.1° | 120.0° |
| C45 | C46 | C66 | 117.7° | 117.7° |
| C46 | C45 | H14 | 120.0° | 119.9° |
| C46 | C66 | O67 | 123.2° | 120.1° |
| C56 | C57 | C50 | 119.7° | 118.7° |
| C57 | C56 | C54 | 120.5° | 120.8° |
| C57 | C50 | C49 | 124.5° | 120.8° |
| C57 | C50 | C51 | 119.5° | 119.9° |
| C04 | C02 | O01 | 120.4° | 120.1° |
| C02 | C04 | H3 | 109.3° | 109.4° |
| C02 | C04 | H4 | 109.3° | 109.4° |
| C02 | O01 | H18 | 109.5° | 117.0° |
| C50 | C49 | O64 | 119.6° | 119.9° |
| C49 | C50 | C51 | 116.0° | 119.3° |
| C56 | C54 | O55 | 118.6° | 119.8° |
| C56 | C54 | C52 | 119.8° | 120.4° |
| C33 | C35 | O36 | 121.0° | 118.9° |
| C35 | C33 | O34 | 120.1° | 119.8° |
| C35 | O36 | H24 | 109.5° | 114.0° |
| C50 | C51 | C52 | 121.0° | 121.2° |
| C50 | C51 | H15 | 119.5° | 119.3° |
| C33 | O34 | H23 | 109.5° | 113.9° |
| O55 | C54 | C52 | 121.6° | 119.9° |
| C54 | O55 | H29 | 109.5° | 114.0° |
| C54 | C52 | C51 | 119.5° | 119.1° |
| C54 | C52 | O53 | 122.0° | 120.4° |
| C51 | C52 | O53 | 118.4° | 120.5° |
| C52 | C51 | H15 | 119.5° | 119.5° |
| C52 | O53 | H28 | 109.5° | 114.0° |
| H3 | C04 | H4 | 109.5° | 109.4° |
| H11 | C26 | H12 | 109.5° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | C15 | C18 | 180.0° | 179.9° |
| O17 | C16 | C15 | C14 | 179.8° | 180.0° |
| O17 | C16 | C18 | O19 | 0.2° | 0.0° |
| O17 | C16 | C18 | C20 | 180.0° | 179.9° |
| O17 | C16 | C15 | H8 | 0.2° | 0.0° |
| C16 | C15 | C14 | H8 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.9° | 179.9° |
| C16 | C15 | C14 | C22 | 0.5° | 0.2° |
| C15 | C16 | C18 | O19 | 179.8° | 179.9° |
| C15 | C16 | C18 | C20 | 0.1° | 0.0° |
| C15 | C16 | O17 | H19 | 180.0° | 90.0° |
| C14 | C15 | C16 | C18 | 0.2° | 0.1° |
| C15 | C14 | C13 | O23 | 29.3° | 179.7° |
| C15 | C14 | C13 | C22 | 179.6° | 179.7° |
| C15 | C14 | C13 | O12 | 151.2° | 0.3° |
| C15 | C14 | C22 | C20 | 0.4° | 0.6° |
| C15 | C14 | C22 | H9 | 179.6° | 179.7° |
| C16 | C18 | O19 | C20 | 179.8° | 179.9° |
| C16 | C18 | C20 | C22 | 0.1° | 0.3° |
| C16 | C18 | C20 | O21 | 180.0° | 180.0° |
| C18 | C16 | C15 | H8 | 179.8° | 180.0° |
| C18 | C16 | O17 | H19 | 0.0° | 90.1° |
| C16 | C18 | O19 | H20 | 180.0° | 90.0° |
| O23 | C13 | C14 | O12 | 179.5° | 180.0° |
| O23 | C13 | C14 | C22 | 151.1° | 0.0° |
| O23 | C13 | O12 | C11 | 13.4° | 0.0° |
| C14 | C13 | O12 | C11 | 166.1° | 180.0° |
| C13 | C14 | C22 | C20 | 179.9° | 179.7° |
| C13 | C14 | C15 | H8 | 0.1° | 0.0° |
| C13 | C14 | C22 | H9 | 0.1° | 0.0° |
| O12 | C13 | C14 | C22 | 28.5° | 180.0° |
| C13 | O12 | C11 | O24 | 78.8° | 56.1° |
| C13 | O12 | C11 | C10 | 155.5° | 175.0° |
| C13 | O12 | C11 | H2 | 39.7° | 59.8° |
| C14 | C22 | C20 | C18 | 0.1° | 0.6° |
| C14 | C22 | C20 | H9 | 180.0° | 179.7° |
| C14 | C22 | C20 | O21 | 179.8° | 179.7° |
| C22 | C14 | C15 | H8 | 179.5° | 179.8° |
| O19 | C18 | C20 | C22 | 179.8° | 179.7° |
| O19 | C18 | C20 | O21 | 0.2° | 0.0° |
| C18 | C20 | C22 | O21 | 180.0° | 179.7° |
| C18 | C20 | C22 | H9 | 179.9° | 179.7° |
| C20 | C18 | O19 | H20 | 0.3° | 90.0° |
| C18 | C20 | O21 | H21 | 180.0° | 90.0° |
| O47 | C28 | O27 | C26 | 12.3° | 168.3° |
| O47 | C28 | O27 | C29 | 178.6° | 179.3° |
| O47 | C28 | C29 | C30 | 41.9° | 133.9° |
| O47 | C28 | C29 | C37 | 140.7° | 47.4° |
| O24 | C25 | C26 | C08 | 124.7° | 126.9° |
| O24 | C25 | C26 | H10 | 116.9° | 116.7° |
| O24 | C25 | C26 | O27 | 146.2° | 152.8° |
| O24 | C25 | C08 | H10 | 117.9° | 118.5° |
| C25 | O24 | C11 | O12 | 77.5° | 82.0° |
| C25 | O24 | C11 | C10 | 41.0° | 44.2° |
| O24 | C25 | C08 | O07 | 71.0° | 78.2° |
| O24 | C25 | C08 | C09 | 47.6° | 44.7° |
| C25 | O24 | C11 | H2 | 163.2° | 163.1° |
| O24 | C25 | C08 | H6 | 173.1° | 165.0° |
| O24 | C25 | C26 | H11 | 26.2° | 31.2° |
| O24 | C25 | C26 | H12 | 93.8° | 88.2° |
| C11 | O24 | C25 | C26 | 83.8° | 75.2° |
| C11 | O24 | C25 | C08 | 43.0° | 51.3° |
| O24 | C11 | O12 | C10 | 125.7° | 129.0° |
| O24 | C11 | O12 | H2 | 118.5° | 115.9° |
| O24 | C11 | C10 | H2 | 122.5° | 119.1° |
| O24 | C11 | C10 | O48 | 82.7° | 94.5° |
| O24 | C11 | C10 | C09 | 38.4° | 30.5° |
| O24 | C11 | C10 | H1 | 158.3° | 150.4° |
| C11 | O24 | C25 | H10 | 160.2° | 169.8° |
| C25 | C26 | O27 | H11 | 120.0° | 121.6° |
| C25 | C26 | O27 | H12 | 120.0° | 119.0° |
| C26 | C25 | C08 | H10 | 118.2° | 114.8° |
| C25 | C26 | O27 | C28 | 101.8° | 145.6° |
| C26 | C25 | C08 | O07 | 165.1° | 155.0° |
| C26 | C25 | C08 | C09 | 76.2° | 82.0° |
| C26 | C25 | C08 | H6 | 49.3° | 38.2° |
| C25 | C26 | H11 | H12 | 119.9° | 119.4° |
| O27 | C26 | C25 | C08 | 21.5° | 25.8° |
| C26 | O27 | C28 | C29 | 166.4° | 12.4° |
| O27 | C26 | C25 | H10 | 96.9° | 90.5° |
| O27 | C26 | H11 | H12 | 120.0° | 119.6° |
| C25 | C08 | O07 | C09 | 122.7° | 126.6° |
| C25 | C08 | O07 | H6 | 115.2° | 118.2° |
| C25 | C08 | O07 | C06 | 175.1° | 16.0° |
| C25 | C08 | C09 | H6 | 125.2° | 120.6° |
| C25 | C08 | C09 | C10 | 48.9° | 34.8° |
| C25 | C08 | C09 | O65 | 66.8° | 100.7° |
| C25 | C08 | C09 | H7 | 170.4° | 147.9° |
| C08 | C25 | C26 | H11 | 98.6° | 95.7° |
| C08 | C25 | C26 | H12 | 141.5° | 144.9° |
| O12 | C11 | C10 | H2 | 116.8° | 114.4° |
| O12 | C11 | C10 | O48 | 156.5° | 139.1° |
| O12 | C11 | C10 | C09 | 82.3° | 95.9° |
| O12 | C11 | C10 | H1 | 37.6° | 23.9° |
| O60 | C59 | C61 | O63 | 96.4° | 86.8° |
| O60 | C59 | C61 | C58 | 118.2° | 120.9° |
| O60 | C59 | C61 | H17 | 118.3° | 118.0° |
| O60 | C59 | C58 | H17 | 119.7° | 117.7° |
| O60 | C59 | C61 | O62 | 82.9° | 93.1° |
| O60 | C59 | C58 | C05 | 169.9° | 147.5° |
| O60 | C59 | C58 | C57 | 66.3° | 87.0° |
| O60 | C59 | C58 | H16 | 50.7° | 30.3° |
| O27 | C28 | C29 | C30 | 136.7° | 45.4° |
| O27 | C28 | C29 | C37 | 40.7° | 133.3° |
| C28 | O27 | C26 | H11 | 138.2° | 24.0° |
| C28 | O27 | C26 | H12 | 18.2° | 95.4° |
| C28 | C29 | C30 | C37 | 177.5° | 178.7° |
| C28 | C29 | C30 | C31 | 179.2° | 179.5° |
| C28 | C29 | C37 | C38 | 3.6° | 2.5° |
| C28 | C29 | C37 | C35 | 179.4° | 179.8° |
| C28 | C29 | C30 | H13 | 0.8° | 0.5° |
| C11 | C10 | C09 | C08 | 42.7° | 27.6° |
| C11 | C10 | O48 | C09 | 122.7° | 129.2° |
| C11 | C10 | O48 | H1 | 118.2° | 116.6° |
| C11 | C10 | C09 | H1 | 120.1° | 120.1° |
| C11 | C10 | O48 | C49 | 165.7° | 44.0° |
| C11 | C10 | C09 | O65 | 78.1° | 108.0° |
| C11 | C10 | C09 | H7 | 164.5° | 140.2° |
| C22 | C20 | O21 | H21 | 0.0° | 89.8° |
| O21 | C20 | C22 | H9 | 0.2° | 0.1° |
| O63 | C61 | C59 | O62 | 179.3° | 179.9° |
| O63 | C61 | C59 | C58 | 145.4° | 152.4° |
| O63 | C61 | O62 | C56 | 177.8° | 174.6° |
| O63 | C61 | C59 | H17 | 21.8° | 31.2° |
| C61 | C59 | C58 | H17 | 123.4° | 121.3° |
| C61 | C59 | C58 | C05 | 73.1° | 91.5° |
| C61 | C59 | C58 | C57 | 50.6° | 34.0° |
| C59 | C61 | O62 | C56 | 1.5° | 5.6° |
| C61 | C59 | C58 | H16 | 167.6° | 151.3° |
| C61 | C59 | O60 | H30 | 180.0° | 60.0° |
| C58 | C59 | C61 | O62 | 35.3° | 27.8° |
| C59 | C58 | C05 | C57 | 122.8° | 124.9° |
| C59 | C58 | C05 | H16 | 119.7° | 116.3° |
| C59 | C58 | C57 | H16 | 117.4° | 116.4° |
| C59 | C58 | C05 | C06 | 150.3° | 133.6° |
| C59 | C58 | C05 | C04 | 90.8° | 105.7° |
| C59 | C58 | C57 | C56 | 32.1° | 23.6° |
| C59 | C58 | C57 | C50 | 146.4° | 157.3° |
| C59 | C58 | C05 | H5 | 31.9° | 15.0° |
| C58 | C59 | O60 | H30 | 56.2° | 176.3° |
| O07 | C08 | C09 | H6 | 122.3° | 114.2° |
| O07 | C08 | C09 | C10 | 63.6° | 90.4° |
| C08 | O07 | C06 | C05 | 169.6° | 164.1° |
| O07 | C08 | C09 | O65 | 179.2° | 134.0° |
| C08 | O07 | C06 | O68 | 11.9° | 17.0° |
| O07 | C08 | C09 | H7 | 57.9° | 22.7° |
| O07 | C08 | C25 | H10 | 46.9° | 40.2° |
| C06 | O07 | C08 | C09 | 52.3° | 110.5° |
| O07 | C06 | C05 | C58 | 70.6° | 127.1° |
| O07 | C06 | C05 | O68 | 178.5° | 179.0° |
| O07 | C06 | C05 | C04 | 166.0° | 5.6° |
| O07 | C06 | C05 | H5 | 47.6° | 113.7° |
| C06 | O07 | C08 | H6 | 69.7° | 134.3° |
| C61 | O62 | C56 | C57 | 20.5° | 8.3° |
| C61 | O62 | C56 | C54 | 160.9° | 172.1° |
| O62 | C61 | C59 | H17 | 158.8° | 148.9° |
| C08 | C09 | C10 | O48 | 77.2° | 99.2° |
| C08 | C09 | C10 | O65 | 120.8° | 135.6° |
| C08 | C09 | C10 | H7 | 121.8° | 112.6° |
| C08 | C09 | O65 | H7 | 122.1° | 111.2° |
| C08 | C09 | O65 | C66 | 68.1° | 84.2° |
| C08 | C09 | C10 | H1 | 162.8° | 147.7° |
| C09 | C08 | C25 | H10 | 165.6° | 163.2° |
| C29 | C30 | C31 | H13 | 180.0° | 179.9° |
| C30 | C29 | C37 | C38 | 179.1° | 176.2° |
| C30 | C29 | C37 | C35 | 2.1° | 1.1° |
| C29 | C30 | C31 | O32 | 179.6° | 179.1° |
| C29 | C30 | C31 | C33 | 0.6° | 1.2° |
| C37 | C29 | C30 | C31 | 1.7° | 1.9° |
| C29 | C37 | C38 | C39 | 105.5° | 128.7° |
| C29 | C37 | C38 | C35 | 177.1° | 177.3° |
| C29 | C37 | C38 | C46 | 75.9° | 48.7° |
| C29 | C37 | C35 | C33 | 1.4° | 0.3° |
| C29 | C37 | C35 | O36 | 178.8° | 178.8° |
| C37 | C29 | C30 | H13 | 178.3° | 178.2° |
| C30 | C31 | O32 | C33 | 179.8° | 179.7° |
| C30 | C31 | C33 | C35 | 0.1° | 0.2° |
| C30 | C31 | C33 | O34 | 180.0° | 179.9° |
| C30 | C31 | O32 | H22 | 180.0° | 90.0° |
| C05 | C58 | C57 | H16 | 117.4° | 118.8° |
| C58 | C05 | C06 | C04 | 123.4° | 121.6° |
| C58 | C05 | C06 | H5 | 118.1° | 119.2° |
| C58 | C05 | C04 | H5 | 122.2° | 120.7° |
| C58 | C05 | C06 | O68 | 110.9° | 53.9° |
| C05 | C58 | C57 | C56 | 93.1° | 101.2° |
| C05 | C58 | C57 | C50 | 88.3° | 77.9° |
| C58 | C05 | C04 | C02 | 159.1° | 174.5° |
| C58 | C05 | C04 | H3 | 39.0° | 65.5° |
| C58 | C05 | C04 | H4 | 80.8° | 54.5° |
| C05 | C58 | C59 | H17 | 50.2° | 29.7° |
| C57 | C58 | C05 | C06 | 86.9° | 101.5° |
| C57 | C58 | C05 | C04 | 32.0° | 19.2° |
| C58 | C57 | C56 | O62 | 1.6° | 2.0° |
| C58 | C57 | C56 | C50 | 178.6° | 179.1° |
| C58 | C57 | C50 | C49 | 0.1° | 2.0° |
| C58 | C57 | C56 | C54 | 179.8° | 177.5° |
| C58 | C57 | C50 | C51 | 179.6° | 176.0° |
| C57 | C58 | C05 | H5 | 154.7° | 139.9° |
| C57 | C58 | C59 | H17 | 174.0° | 155.3° |
| O48 | C10 | C09 | H1 | 119.9° | 113.1° |
| O48 | C10 | C09 | O65 | 162.0° | 125.2° |
| C10 | O48 | C49 | C50 | 175.1° | 159.1° |
| C10 | O48 | C49 | O64 | 7.4° | 21.2° |
| O48 | C10 | C11 | H2 | 39.7° | 24.6° |
| O48 | C10 | C09 | H7 | 44.6° | 13.4° |
| C09 | C10 | O48 | C49 | 71.6° | 85.2° |
| C10 | C09 | O65 | H7 | 116.1° | 112.2° |
| C10 | C09 | O65 | C66 | 170.2° | 52.4° |
| C09 | C10 | C11 | H2 | 160.9° | 149.6° |
| C10 | C09 | C08 | H6 | 174.1° | 155.4° |
| O48 | C49 | C50 | C57 | 28.6° | 154.3° |
| O48 | C49 | C50 | O64 | 177.6° | 179.7° |
| O48 | C49 | C50 | C51 | 151.1° | 23.6° |
| C49 | O48 | C10 | H1 | 47.4° | 160.5° |
| C06 | C05 | C04 | H5 | 118.2° | 118.8° |
| C06 | C05 | C04 | C02 | 81.4° | 65.0° |
| C06 | C05 | C04 | H3 | 158.6° | 55.0° |
| C06 | C05 | C04 | H4 | 38.8° | 175.0° |
| C06 | C05 | C58 | H16 | 30.5° | 17.3° |
| C04 | C05 | C06 | O68 | 12.5° | 175.4° |
| C05 | C04 | C02 | O03 | 30.9° | 0.0° |
| C05 | C04 | C02 | H3 | 120.1° | 120.1° |
| C05 | C04 | C02 | H4 | 120.1° | 120.0° |
| C05 | C04 | C02 | O01 | 148.3° | 180.0° |
| C05 | C04 | H3 | H4 | 119.7° | 120.0° |
| C04 | C05 | C58 | H16 | 149.5° | 138.0° |
| O42 | C41 | C39 | O40 | 0.3° | 3.8° |
| O42 | C41 | C39 | C43 | 179.3° | 180.0° |
| O42 | C41 | C39 | C38 | 180.0° | 177.8° |
| O42 | C41 | C43 | O44 | 0.4° | 0.3° |
| O42 | C41 | C43 | C45 | 179.6° | 179.6° |
| O40 | C39 | C41 | C38 | 179.7° | 178.4° |
| O40 | C39 | C41 | C43 | 179.6° | 176.2° |
| O40 | C39 | C38 | C37 | 0.2° | 1.7° |
| O40 | C39 | C38 | C46 | 178.8° | 175.9° |
| C09 | O65 | C66 | C46 | 160.4° | 174.9° |
| C09 | O65 | C66 | O67 | 19.3° | 3.4° |
| O65 | C09 | C10 | H1 | 42.1° | 12.1° |
| O65 | C09 | C08 | H6 | 58.5° | 19.9° |
| C39 | C41 | C43 | O44 | 179.7° | 179.7° |
| C39 | C41 | C43 | C45 | 1.1° | 0.4° |
| C41 | C39 | C38 | C37 | 179.8° | 180.0° |
| C41 | C39 | C38 | C46 | 1.6° | 2.5° |
| C41 | C39 | O40 | H25 | 180.0° | 88.4° |
| C39 | C41 | O42 | H26 | 180.0° | 90.0° |
| C43 | C41 | C39 | C38 | 0.7° | 2.2° |
| C41 | C43 | O44 | C45 | 179.2° | 179.9° |
| C41 | C43 | C45 | C46 | 2.3° | 1.1° |
| C41 | C43 | C45 | H14 | 177.7° | 178.9° |
| C43 | C41 | O42 | H26 | 0.7° | 90.0° |
| C41 | C43 | O44 | H27 | 180.0° | 90.1° |
| C39 | C38 | C37 | C46 | 178.5° | 177.4° |
| C39 | C38 | C37 | C35 | 71.5° | 54.0° |
| C39 | C38 | C46 | C45 | 2.8° | 0.9° |
| C39 | C38 | C46 | C66 | 180.0° | 179.0° |
| C38 | C39 | O40 | H25 | 0.3° | 89.9° |
| O68 | C06 | C05 | H5 | 131.0° | 65.3° |
| O65 | C66 | C46 | C38 | 137.9° | 152.5° |
| O65 | C66 | C46 | C45 | 39.4° | 29.4° |
| O65 | C66 | C46 | O67 | 179.7° | 178.4° |
| C66 | O65 | C09 | H7 | 54.0° | 164.6° |
| O44 | C43 | C45 | C46 | 178.5° | 178.7° |
| O44 | C43 | C45 | H14 | 1.5° | 1.2° |
| C43 | C45 | C46 | C38 | 3.2° | 0.8° |
| C43 | C45 | C46 | H14 | 180.0° | 179.9° |
| C43 | C45 | C46 | C66 | 179.5° | 177.3° |
| C45 | C43 | O44 | H27 | 0.8° | 90.1° |
| C37 | C38 | C46 | C45 | 178.7° | 178.3° |
| C37 | C38 | C46 | C66 | 1.5° | 3.6° |
| C38 | C37 | C35 | C33 | 178.6° | 177.7° |
| C38 | C37 | C35 | O36 | 1.6° | 1.4° |
| C46 | C38 | C37 | C35 | 107.0° | 128.6° |
| C38 | C46 | C45 | C66 | 177.3° | 178.1° |
| C38 | C46 | C66 | O67 | 41.7° | 25.9° |
| C38 | C46 | C45 | H14 | 176.8° | 179.2° |
| C37 | C35 | C33 | C31 | 0.3° | 0.9° |
| C37 | C35 | C33 | O36 | 179.9° | 179.1° |
| C37 | C35 | C33 | O34 | 179.6° | 179.1° |
| C37 | C35 | O36 | H24 | 180.0° | 90.8° |
| O62 | C56 | C57 | C54 | 178.6° | 179.6° |
| O62 | C56 | C57 | C50 | 179.7° | 178.9° |
| O62 | C56 | C54 | O55 | 0.8° | 0.6° |
| O62 | C56 | C54 | C52 | 179.5° | 179.0° |
| O03 | C02 | C04 | O01 | 179.1° | 180.0° |
| O03 | C02 | C04 | H3 | 151.0° | 120.1° |
| O03 | C02 | C04 | H4 | 89.2° | 120.0° |
| O03 | C02 | O01 | H18 | 0.0° | 0.0° |
| O32 | C31 | C33 | C35 | 179.7° | 179.5° |
| O32 | C31 | C33 | O34 | 0.2° | 0.5° |
| O32 | C31 | C30 | H13 | 0.4° | 0.9° |
| C31 | C33 | C35 | O34 | 179.9° | 180.0° |
| C31 | C33 | C35 | O36 | 179.8° | 178.2° |
| C33 | C31 | C30 | H13 | 179.4° | 178.8° |
| C33 | C31 | O32 | H22 | 0.2° | 90.3° |
| C31 | C33 | O34 | H23 | 180.0° | 90.0° |
| C45 | C46 | C66 | O67 | 140.9° | 152.2° |
| C66 | C46 | C45 | H14 | 0.5° | 2.6° |
| C56 | C57 | C50 | C49 | 178.7° | 178.9° |
| C56 | C57 | C50 | C51 | 1.0° | 3.1° |
| C57 | C56 | C54 | O55 | 179.4° | 179.9° |
| C57 | C56 | C54 | C52 | 0.8° | 0.5° |
| C56 | C57 | C58 | H16 | 149.5° | 140.1° |
| C57 | C50 | C49 | C51 | 179.7° | 178.0° |
| C57 | C50 | C49 | O64 | 153.8° | 25.9° |
| C50 | C57 | C56 | C54 | 1.1° | 1.6° |
| C57 | C50 | C51 | C52 | 0.6° | 2.6° |
| C57 | C50 | C51 | H15 | 179.4° | 177.3° |
| C50 | C57 | C58 | H16 | 29.1° | 40.9° |
| C02 | C04 | H3 | H4 | 119.7° | 119.9° |
| C02 | C04 | C05 | H5 | 36.9° | 53.8° |
| C04 | C02 | O01 | H18 | 179.1° | 180.0° |
| O01 | C02 | C04 | H3 | 28.1° | 60.0° |
| O01 | C02 | C04 | H4 | 91.7° | 59.9° |
| C49 | C50 | C51 | C52 | 179.1° | 179.4° |
| C49 | C50 | C51 | H15 | 0.9° | 0.6° |
| O64 | C49 | C50 | C51 | 26.5° | 156.1° |
| C56 | C54 | O55 | C52 | 179.7° | 179.6° |
| C56 | C54 | C52 | C51 | 0.4° | 1.1° |
| C56 | C54 | C52 | O53 | 179.3° | 178.8° |
| C56 | C54 | O55 | H29 | 180.0° | 89.6° |
| C35 | C33 | O34 | H23 | 0.1° | 90.0° |
| C33 | C35 | O36 | H24 | 0.2° | 90.1° |
| O36 | C35 | C33 | O34 | 0.2° | 1.8° |
| C50 | C51 | C52 | C54 | 0.3° | 0.5° |
| C50 | C51 | C52 | H15 | 180.0° | 180.0° |
| C50 | C51 | C52 | O53 | 179.4° | 179.6° |
| O55 | C54 | C52 | C51 | 179.9° | 179.3° |
| O55 | C54 | C52 | O53 | 0.4° | 0.8° |
| C54 | C52 | C51 | O53 | 179.7° | 179.9° |
| C54 | C52 | C51 | H15 | 179.7° | 179.5° |
| C54 | C52 | O53 | H28 | 180.0° | 89.9° |
| C52 | C54 | O55 | H29 | 0.3° | 90.0° |
| C51 | C52 | O53 | H28 | 0.3° | 90.0° |
| O53 | C52 | C51 | H15 | 0.6° | 0.4° |
| H1 | C10 | C11 | H2 | 79.2° | 90.5° |
| H1 | C10 | C09 | H7 | 75.3° | 99.7° |
| H3 | C04 | C05 | H5 | 83.2° | 173.8° |
| H4 | C04 | C05 | H5 | 157.0° | 66.2° |
| H5 | C05 | C58 | H16 | 87.9° | 101.4° |
| H6 | C08 | C09 | H7 | 64.3° | 91.5° |
| H6 | C08 | C25 | H10 | 69.0° | 76.6° |
| H10 | C25 | C26 | H11 | 143.1° | 147.9° |
| H10 | C25 | C26 | H12 | 23.1° | 28.5° |
| H16 | C58 | C59 | H17 | 69.0° | 87.5° |
| H17 | C59 | O60 | H30 | 62.8° | 58.4° |
