A1EO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | C38 | sing | 1.36Å | 1.42Å | |
| O25 | C24 | sing | 1.43Å | 1.42Å | |
| O27 | C26 | sing | 1.43Å | 1.48Å | |
| C24 | C26 | sing | 1.53Å | 1.48Å | |
| C24 | C22 | sing | 1.53Å | 1.56Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| O41 | C40 | sing | 1.36Å | 1.39Å | |
| C38 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.43Å | Aromatic |
| O29 | C28 | sing | 1.43Å | 1.45Å | |
| C26 | C28 | sing | 1.53Å | 1.47Å | |
| C40 | C42 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | O21 | sing | 1.43Å | 1.47Å | |
| C37 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C20 | sing | 1.53Å | 1.53Å | |
| O21 | C20 | sing | 1.43Å | 1.48Å | |
| C42 | C35 | doub | 1.38Å | 1.43Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | O19 | sing | 1.43Å | 1.39Å | |
| O16 | C05 | doub | 1.22Å | 1.19Å | |
| C35 | C34 | sing | 1.51Å | 1.54Å | |
| O19 | C18 | sing | 1.43Å | 1.43Å | |
| O01 | C02 | sing | 1.43Å | 1.46Å | |
| O32 | C31 | sing | 1.43Å | 1.37Å | |
| O32 | C33 | sing | 1.43Å | 1.41Å | |
| C43 | O44 | sing | 1.43Å | 1.45Å | |
| C43 | C02 | sing | 1.53Å | 1.50Å | |
| C43 | C31 | sing | 1.53Å | 1.51Å | |
| C05 | C06 | sing | 1.42Å | 1.54Å | |
| C05 | O04 | sing | 1.35Å | 1.41Å | |
| C03 | C02 | sing | 1.53Å | 1.48Å | |
| C03 | C17 | sing | 1.53Å | 1.52Å | |
| C03 | O04 | sing | 1.43Å | 1.48Å | |
| O30 | C31 | sing | 1.43Å | 1.47Å | |
| O30 | C17 | sing | 1.43Å | 1.49Å | |
| C34 | C33 | sing | 1.53Å | 1.59Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C06 | C07 | doub | 1.35Å | 1.32Å | |
| C07 | C08 | sing | 1.47Å | 1.55Å | |
| C15 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.43Å | |
| C09 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.38Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C42 | H28 | sing | 1.08Å | 1.08Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| O01 | H30 | sing | 0.97Å | 0.95Å | |
| O11 | H31 | sing | 0.97Å | 0.95Å | |
| O13 | H32 | sing | 0.97Å | 0.95Å | |
| O25 | H33 | sing | 0.97Å | 0.95Å | |
| O27 | H34 | sing | 0.97Å | 0.95Å | |
| O29 | H35 | sing | 0.97Å | 0.95Å | |
| O39 | H36 | sing | 0.97Å | 0.95Å | |
| O41 | H37 | sing | 0.97Å | 0.95Å | |
| O44 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | C38 | C40 | 120.2° | 120.1° |
| O39 | C38 | C37 | 119.9° | 120.1° |
| C38 | O39 | H36 | 109.5° | 114.0° |
| O25 | C24 | C26 | 108.4° | 109.6° |
| O25 | C24 | C22 | 108.7° | 109.5° |
| O25 | C24 | H18 | 109.1° | 109.6° |
| C24 | O25 | H33 | 109.5° | 114.0° |
| O27 | C26 | C24 | 110.1° | 109.6° |
| O27 | C26 | C28 | 109.2° | 109.6° |
| O27 | C26 | H19 | 108.9° | 109.6° |
| C26 | O27 | H34 | 109.5° | 114.0° |
| C26 | C24 | C22 | 114.8° | 109.2° |
| C24 | C26 | C28 | 110.9° | 109.0° |
| C26 | C24 | H18 | 108.3° | 109.5° |
| C24 | C26 | H19 | 108.8° | 109.5° |
| C24 | C22 | C23 | 107.4° | 109.5° |
| C24 | C22 | O21 | 116.2° | 109.5° |
| C24 | C22 | H14 | 107.9° | 109.5° |
| C22 | C24 | H18 | 107.4° | 109.5° |
| C23 | C22 | O21 | 107.6° | 109.5° |
| C23 | C22 | H14 | 108.4° | 109.5° |
| C22 | C23 | H15 | 109.5° | 109.5° |
| C22 | C23 | H16 | 109.5° | 109.4° |
| C22 | C23 | H17 | 109.5° | 109.5° |
| O41 | C40 | C38 | 119.6° | 120.1° |
| O41 | C40 | C42 | 119.9° | 120.1° |
| C40 | O41 | H37 | 109.5° | 114.1° |
| C40 | C38 | C37 | 119.9° | 119.8° |
| C38 | C40 | C42 | 120.4° | 119.8° |
| C38 | C37 | C36 | 119.7° | 120.0° |
| C38 | C37 | H27 | 120.2° | 120.0° |
| O29 | C28 | C26 | 108.9° | 109.6° |
| O29 | C28 | C20 | 109.4° | 109.5° |
| O29 | C28 | H20 | 110.7° | 109.5° |
| C28 | O29 | H35 | 109.5° | 114.0° |
| C26 | C28 | C20 | 107.8° | 109.2° |
| C28 | C26 | H19 | 108.9° | 109.5° |
| C26 | C28 | H20 | 110.4° | 109.5° |
| C40 | C42 | C35 | 119.7° | 120.0° |
| C40 | C42 | H28 | 120.2° | 120.0° |
| C22 | O21 | C20 | 114.0° | 114.1° |
| O21 | C22 | H14 | 109.1° | 109.5° |
| C37 | C36 | C35 | 120.4° | 120.1° |
| C37 | C36 | H26 | 119.8° | 120.0° |
| C36 | C37 | H27 | 120.2° | 120.0° |
| C28 | C20 | O21 | 109.6° | 109.4° |
| C28 | C20 | O19 | 107.7° | 109.5° |
| C28 | C20 | H13 | 109.6° | 109.5° |
| C20 | C28 | H20 | 109.6° | 109.5° |
| O21 | C20 | O19 | 108.0° | 109.5° |
| O21 | C20 | H13 | 110.3° | 109.5° |
| C42 | C35 | C36 | 119.9° | 120.2° |
| C42 | C35 | C34 | 120.2° | 119.9° |
| C35 | C42 | H28 | 120.1° | 120.0° |
| C36 | C35 | C34 | 120.0° | 119.9° |
| C35 | C36 | H26 | 119.8° | 119.9° |
| C20 | O19 | C18 | 115.6° | 114.0° |
| O19 | C20 | H13 | 111.6° | 109.5° |
| O16 | C05 | C06 | 120.3° | 120.0° |
| O16 | C05 | O04 | 120.0° | 120.0° |
| C35 | C34 | C33 | 112.4° | 109.5° |
| C35 | C34 | H24 | 108.7° | 109.4° |
| C35 | C34 | H25 | 108.7° | 109.4° |
| O19 | C18 | C17 | 107.1° | 109.4° |
| O19 | C18 | H11 | 110.0° | 109.5° |
| O19 | C18 | H12 | 110.1° | 109.5° |
| O01 | C02 | C43 | 108.7° | 109.5° |
| O01 | C02 | C03 | 108.9° | 109.6° |
| O01 | C02 | H1 | 109.4° | 109.6° |
| C02 | O01 | H30 | 109.5° | 114.0° |
| C31 | O32 | C33 | 114.0° | 114.0° |
| O32 | C31 | C43 | 107.1° | 109.4° |
| O32 | C31 | O30 | 109.0° | 109.5° |
| O32 | C31 | H21 | 110.5° | 109.5° |
| O32 | C33 | C34 | 106.5° | 109.4° |
| O32 | C33 | H22 | 110.2° | 109.5° |
| O32 | C33 | H23 | 110.2° | 109.4° |
| O44 | C43 | C02 | 110.5° | 109.5° |
| O44 | C43 | C31 | 107.6° | 109.5° |
| O44 | C43 | H29 | 109.5° | 109.5° |
| C43 | O44 | H38 | 109.5° | 114.0° |
| C02 | C43 | C31 | 111.6° | 109.2° |
| C43 | C02 | C03 | 111.9° | 109.0° |
| C43 | C02 | H1 | 108.8° | 109.6° |
| C02 | C43 | H29 | 108.8° | 109.5° |
| C43 | C31 | O30 | 112.4° | 109.4° |
| C43 | C31 | H21 | 108.6° | 109.5° |
| C31 | C43 | H29 | 108.7° | 109.6° |
| C06 | C05 | O04 | 119.7° | 120.0° |
| C05 | C06 | C07 | 111.3° | 120.0° |
| C05 | C06 | H3 | 124.4° | 120.0° |
| C05 | O04 | C03 | 114.3° | 117.0° |
| C02 | C03 | C17 | 111.8° | 109.2° |
| C02 | C03 | O04 | 108.9° | 109.5° |
| C03 | C02 | H1 | 109.2° | 109.5° |
| C02 | C03 | H2 | 109.0° | 109.6° |
| C17 | C03 | O04 | 109.8° | 109.5° |
| C03 | C17 | O30 | 111.5° | 109.4° |
| C03 | C17 | C18 | 109.8° | 109.5° |
| C17 | C03 | H2 | 108.4° | 109.6° |
| C03 | C17 | H10 | 109.2° | 109.5° |
| O04 | C03 | H2 | 108.9° | 109.6° |
| C31 | O30 | C17 | 112.9° | 114.1° |
| O30 | C31 | H21 | 109.1° | 109.5° |
| O30 | C17 | C18 | 107.4° | 109.5° |
| O30 | C17 | H10 | 109.5° | 109.5° |
| C34 | C33 | H22 | 110.2° | 109.5° |
| C34 | C33 | H23 | 110.2° | 109.5° |
| C33 | C34 | H24 | 108.7° | 109.5° |
| C33 | C34 | H25 | 108.7° | 109.5° |
| C18 | C17 | H10 | 109.3° | 109.5° |
| C17 | C18 | H11 | 110.1° | 109.4° |
| C17 | C18 | H12 | 110.0° | 109.5° |
| C06 | C07 | C08 | 112.7° | 120.0° |
| C07 | C06 | H3 | 124.3° | 120.0° |
| C06 | C07 | H5 | 123.6° | 120.0° |
| C07 | C08 | C15 | 120.9° | 120.1° |
| C07 | C08 | C09 | 118.7° | 120.1° |
| C08 | C07 | H5 | 123.7° | 120.0° |
| C14 | C15 | C08 | 119.8° | 120.0° |
| C15 | C14 | C12 | 119.7° | 120.2° |
| C15 | C14 | H8 | 120.2° | 119.9° |
| C14 | C15 | H9 | 120.1° | 120.0° |
| C15 | C08 | C09 | 120.4° | 119.8° |
| C08 | C15 | H9 | 120.1° | 120.0° |
| C14 | C12 | C10 | 120.1° | 120.2° |
| C14 | C12 | O13 | 120.0° | 119.9° |
| C12 | C14 | H8 | 120.1° | 119.9° |
| C08 | C09 | C10 | 119.8° | 119.8° |
| C08 | C09 | H7 | 120.1° | 120.1° |
| C10 | C12 | O13 | 119.9° | 119.9° |
| C12 | C10 | C09 | 120.3° | 120.1° |
| C12 | C10 | O11 | 121.2° | 119.9° |
| C12 | O13 | H32 | 109.5° | 114.0° |
| C09 | C10 | O11 | 118.6° | 120.0° |
| C10 | C09 | H7 | 120.1° | 120.1° |
| C10 | O11 | H31 | 109.5° | 114.0° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.4° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.4° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.4° |
| H24 | C34 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | C38 | C40 | O41 | 0.1° | 0.0° |
| O39 | C38 | C40 | C37 | 179.6° | 179.9° |
| O39 | C38 | C40 | C42 | 180.0° | 180.0° |
| O39 | C38 | C37 | C36 | 180.0° | 180.0° |
| O39 | C38 | C37 | H27 | 0.0° | 0.1° |
| O25 | C24 | C26 | O27 | 71.5° | 63.2° |
| O25 | C24 | C26 | C22 | 121.8° | 120.0° |
| O25 | C24 | C26 | H18 | 118.3° | 120.2° |
| O25 | C24 | C22 | H18 | 117.9° | 120.1° |
| O25 | C24 | C22 | C23 | 86.5° | 62.4° |
| O25 | C24 | C26 | C28 | 167.6° | 176.9° |
| O25 | C24 | C22 | O21 | 153.0° | 177.5° |
| O25 | C24 | C22 | H14 | 30.2° | 57.5° |
| O25 | C24 | C26 | H19 | 47.8° | 57.0° |
| O27 | C26 | C24 | C28 | 121.0° | 119.9° |
| O27 | C26 | C24 | H19 | 119.2° | 120.2° |
| O27 | C26 | C24 | C22 | 166.8° | 176.9° |
| O27 | C26 | C28 | O29 | 66.3° | 57.0° |
| O27 | C26 | C28 | H19 | 118.8° | 120.2° |
| O27 | C26 | C28 | C20 | 175.1° | 176.9° |
| O27 | C26 | C24 | H18 | 46.8° | 57.0° |
| O27 | C26 | C28 | H20 | 55.4° | 63.1° |
| C26 | C24 | C22 | H18 | 120.5° | 119.9° |
| C26 | C24 | C22 | C23 | 151.9° | 177.6° |
| C24 | C26 | C28 | O29 | 55.2° | 63.0° |
| C24 | C26 | C28 | H19 | 119.7° | 119.8° |
| C26 | C24 | C22 | O21 | 31.4° | 57.6° |
| C24 | C26 | C28 | C20 | 63.5° | 56.9° |
| C26 | C24 | C22 | H14 | 91.4° | 62.4° |
| C24 | C26 | C28 | H20 | 176.9° | 176.9° |
| C26 | C24 | O25 | H33 | 180.0° | 180.0° |
| C24 | C26 | O27 | H34 | 180.0° | 179.6° |
| C24 | C22 | C23 | O21 | 125.8° | 120.0° |
| C24 | C22 | C23 | H14 | 116.4° | 120.0° |
| C22 | C24 | C26 | C28 | 45.8° | 56.9° |
| C24 | C22 | O21 | H14 | 122.2° | 120.0° |
| C24 | C22 | O21 | C20 | 35.3° | 61.1° |
| C24 | C22 | C23 | H15 | 180.0° | 60.0° |
| C24 | C22 | C23 | H16 | 60.0° | 179.9° |
| C24 | C22 | C23 | H17 | 60.0° | 60.1° |
| C22 | C24 | C26 | H19 | 74.0° | 62.9° |
| C22 | C24 | O25 | H33 | 54.6° | 60.3° |
| C23 | C22 | O21 | H14 | 117.4° | 120.0° |
| C23 | C22 | O21 | C20 | 155.6° | 178.9° |
| C22 | C23 | H15 | H16 | 120.0° | 119.9° |
| C22 | C23 | H15 | H17 | 120.0° | 120.0° |
| C22 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C22 | C24 | H18 | 31.4° | 57.7° |
| O41 | C40 | C38 | C42 | 179.9° | 180.0° |
| O41 | C40 | C38 | C37 | 179.8° | 179.9° |
| O41 | C40 | C42 | C35 | 179.9° | 179.9° |
| O41 | C40 | C42 | H28 | 0.1° | 0.2° |
| C40 | C38 | C37 | C36 | 0.4° | 0.0° |
| C38 | C40 | C42 | C35 | 0.0° | 0.0° |
| C40 | C38 | C37 | H27 | 179.6° | 180.0° |
| C38 | C40 | C42 | H28 | 180.0° | 179.7° |
| C40 | C38 | O39 | H36 | 180.0° | 89.9° |
| C38 | C40 | O41 | H37 | 180.0° | 90.0° |
| C37 | C38 | C40 | C42 | 0.4° | 0.0° |
| C38 | C37 | C36 | H27 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.0° | 0.0° |
| C38 | C37 | C36 | H26 | 180.0° | 179.9° |
| C37 | C38 | O39 | H36 | 0.4° | 90.0° |
| O29 | C28 | C26 | C20 | 118.7° | 120.0° |
| O29 | C28 | C26 | H20 | 121.7° | 120.1° |
| O29 | C28 | C20 | H20 | 121.6° | 120.1° |
| O29 | C28 | C20 | O21 | 50.9° | 62.4° |
| O29 | C28 | C20 | O19 | 168.2° | 177.6° |
| O29 | C28 | C20 | H13 | 70.2° | 57.6° |
| O29 | C28 | C26 | H19 | 174.9° | 177.2° |
| C26 | C28 | C20 | H20 | 120.2° | 119.9° |
| C26 | C28 | C20 | O21 | 67.4° | 57.6° |
| C26 | C28 | C20 | O19 | 49.9° | 62.4° |
| C26 | C28 | C20 | H13 | 171.5° | 177.6° |
| C28 | C26 | C24 | H18 | 74.2° | 62.9° |
| C28 | C26 | O27 | H34 | 58.0° | 60.0° |
| C26 | C28 | O29 | H35 | 180.0° | 179.8° |
| C40 | C42 | C35 | H28 | 180.0° | 179.7° |
| C40 | C42 | C35 | C36 | 0.3° | 0.0° |
| C40 | C42 | C35 | C34 | 179.6° | 179.8° |
| C42 | C40 | O41 | H37 | 0.1° | 90.0° |
| C22 | O21 | C20 | C28 | 52.8° | 61.1° |
| C22 | O21 | C20 | O19 | 64.2° | 58.9° |
| C22 | O21 | C20 | H13 | 173.5° | 178.8° |
| O21 | C22 | C23 | H15 | 54.2° | 180.0° |
| O21 | C22 | C23 | H16 | 65.8° | 60.1° |
| O21 | C22 | C23 | H17 | 174.2° | 59.9° |
| O21 | C22 | C24 | H18 | 89.1° | 62.3° |
| C37 | C36 | C35 | C42 | 0.3° | 0.0° |
| C37 | C36 | C35 | H26 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 179.6° | 179.8° |
| C28 | C20 | O21 | O19 | 117.0° | 120.0° |
| C28 | C20 | O21 | H13 | 120.7° | 120.0° |
| C28 | C20 | O19 | H13 | 120.3° | 120.0° |
| C28 | C20 | O19 | C18 | 140.8° | 175.1° |
| C20 | C28 | C26 | H19 | 56.3° | 62.9° |
| C20 | C28 | O29 | H35 | 62.3° | 60.0° |
| O21 | C20 | O19 | H13 | 121.4° | 120.0° |
| O21 | C20 | O19 | C18 | 100.9° | 65.0° |
| C20 | O21 | C22 | H14 | 86.9° | 58.9° |
| O21 | C20 | C28 | H20 | 172.5° | 177.5° |
| C42 | C35 | C36 | C34 | 179.9° | 179.8° |
| C42 | C35 | C34 | C33 | 117.4° | 90.0° |
| C42 | C35 | C34 | H24 | 3.0° | 150.0° |
| C42 | C35 | C34 | H25 | 122.2° | 30.1° |
| C42 | C35 | C36 | H26 | 179.7° | 179.9° |
| C36 | C35 | C34 | C33 | 62.7° | 90.2° |
| C36 | C35 | C34 | H24 | 176.9° | 29.8° |
| C36 | C35 | C34 | H25 | 57.7° | 149.8° |
| C35 | C36 | C37 | H27 | 180.0° | 180.0° |
| C36 | C35 | C42 | H28 | 179.7° | 179.8° |
| C20 | O19 | C18 | C17 | 139.7° | 180.0° |
| C20 | O19 | C18 | H11 | 100.7° | 60.0° |
| C20 | O19 | C18 | H12 | 20.0° | 60.0° |
| O19 | C20 | C28 | H20 | 70.2° | 57.6° |
| O16 | C05 | C06 | O04 | 178.6° | 180.0° |
| O16 | C05 | O04 | C03 | 28.4° | 0.0° |
| O16 | C05 | C06 | C07 | 137.8° | 0.0° |
| O16 | C05 | C06 | H3 | 42.2° | 180.0° |
| C35 | C34 | C33 | O32 | 65.0° | 179.9° |
| C35 | C34 | C33 | H24 | 120.4° | 120.0° |
| C35 | C34 | C33 | H25 | 120.5° | 120.0° |
| C35 | C34 | C33 | H22 | 54.6° | 60.0° |
| C35 | C34 | C33 | H23 | 175.5° | 60.0° |
| C35 | C34 | H24 | H25 | 118.7° | 119.9° |
| C34 | C35 | C36 | H26 | 0.4° | 0.3° |
| C34 | C35 | C42 | H28 | 0.4° | 0.0° |
| O19 | C18 | C17 | C03 | 55.0° | 175.0° |
| O19 | C18 | C17 | O30 | 66.5° | 65.0° |
| O19 | C18 | C17 | H11 | 119.6° | 120.0° |
| O19 | C18 | C17 | H12 | 119.6° | 120.0° |
| O19 | C18 | C17 | H10 | 174.8° | 55.0° |
| O19 | C18 | H11 | H12 | 121.1° | 120.0° |
| C18 | O19 | C20 | H13 | 20.5° | 55.0° |
| O01 | C02 | C43 | O44 | 66.4° | 63.2° |
| O01 | C02 | C43 | C03 | 120.3° | 119.9° |
| O01 | C02 | C43 | H1 | 119.0° | 120.2° |
| O01 | C02 | C43 | C31 | 173.9° | 176.9° |
| O01 | C02 | C03 | H1 | 119.4° | 120.2° |
| O01 | C02 | C03 | C17 | 174.1° | 176.9° |
| O01 | C02 | C03 | O04 | 64.4° | 63.2° |
| O01 | C02 | C03 | H2 | 54.3° | 56.9° |
| O01 | C02 | C43 | H29 | 53.9° | 56.9° |
| O32 | C31 | C43 | O44 | 66.0° | 62.5° |
| O32 | C31 | C43 | C02 | 172.6° | 177.6° |
| O32 | C31 | C43 | O30 | 119.8° | 120.0° |
| O32 | C31 | C43 | H21 | 119.4° | 120.0° |
| O32 | C31 | O30 | H21 | 120.8° | 120.1° |
| O32 | C31 | O30 | C17 | 171.4° | 178.9° |
| C31 | O32 | C33 | C34 | 118.0° | 180.0° |
| C31 | O32 | C33 | H22 | 122.4° | 59.9° |
| C31 | O32 | C33 | H23 | 1.5° | 60.1° |
| O32 | C31 | C43 | H29 | 52.5° | 57.7° |
| C33 | O32 | C31 | C43 | 125.0° | 175.0° |
| C33 | O32 | C31 | O30 | 113.1° | 65.0° |
| O32 | C33 | C34 | H22 | 119.6° | 120.1° |
| O32 | C33 | C34 | H23 | 119.5° | 119.9° |
| C33 | O32 | C31 | H21 | 6.8° | 55.1° |
| O32 | C33 | H22 | H23 | 121.4° | 120.0° |
| O32 | C33 | C34 | H24 | 55.4° | 60.0° |
| O32 | C33 | C34 | H25 | 174.5° | 60.1° |
| O44 | C43 | C02 | C31 | 119.7° | 119.9° |
| O44 | C43 | C02 | H29 | 120.3° | 120.1° |
| O44 | C43 | C31 | H29 | 118.5° | 120.2° |
| O44 | C43 | C02 | C03 | 173.4° | 176.9° |
| O44 | C43 | C31 | O30 | 174.2° | 177.5° |
| O44 | C43 | C02 | H1 | 52.7° | 57.0° |
| O44 | C43 | C31 | H21 | 53.4° | 57.5° |
| C02 | C43 | C31 | H29 | 120.1° | 119.9° |
| C43 | C02 | C03 | H1 | 120.5° | 119.9° |
| C43 | C02 | C03 | C17 | 53.9° | 57.0° |
| C43 | C02 | C03 | O04 | 175.4° | 176.9° |
| C02 | C43 | C31 | O30 | 52.8° | 57.6° |
| C43 | C02 | C03 | H2 | 65.9° | 62.9° |
| C02 | C43 | C31 | H21 | 68.0° | 62.4° |
| C43 | C02 | O01 | H30 | 180.0° | 60.0° |
| C02 | C43 | O44 | H38 | 180.0° | 180.0° |
| C31 | C43 | C02 | C03 | 53.7° | 57.0° |
| C43 | C31 | O30 | H21 | 120.6° | 120.0° |
| C43 | C31 | O30 | C17 | 52.7° | 61.1° |
| C31 | C43 | C02 | H1 | 67.0° | 62.9° |
| C31 | C43 | O44 | H38 | 57.9° | 60.3° |
| C06 | C05 | O04 | C03 | 150.2° | 180.0° |
| C05 | C06 | C07 | H3 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 179.2° | 180.0° |
| C05 | C06 | C07 | H5 | 0.7° | 0.0° |
| C05 | O04 | C03 | C02 | 123.5° | 90.0° |
| C05 | O04 | C03 | C17 | 113.7° | 150.3° |
| O04 | C05 | C06 | C07 | 43.6° | 180.0° |
| C05 | O04 | C03 | H2 | 4.8° | 30.1° |
| O04 | C05 | C06 | H3 | 136.4° | 0.1° |
| C02 | C03 | C17 | O04 | 121.0° | 119.9° |
| C02 | C03 | C17 | H2 | 120.1° | 120.0° |
| C02 | C03 | O04 | H2 | 118.7° | 120.2° |
| C02 | C03 | C17 | O30 | 53.0° | 57.6° |
| C02 | C03 | C17 | C18 | 172.0° | 177.6° |
| C02 | C03 | C17 | H10 | 68.2° | 62.3° |
| C03 | C02 | C43 | H29 | 66.3° | 63.0° |
| C03 | C02 | O01 | H30 | 57.8° | 179.6° |
| C17 | C03 | O04 | H2 | 118.5° | 120.2° |
| C03 | C17 | O30 | C31 | 52.4° | 61.2° |
| C03 | C17 | O30 | C18 | 120.4° | 120.0° |
| C03 | C17 | O30 | H10 | 121.0° | 120.0° |
| C03 | C17 | C18 | H10 | 119.7° | 120.1° |
| C17 | C03 | C02 | H1 | 66.5° | 62.9° |
| C03 | C17 | C18 | H11 | 64.6° | 55.0° |
| C03 | C17 | C18 | H12 | 174.7° | 65.0° |
| O04 | C03 | C17 | O30 | 174.0° | 177.5° |
| O04 | C03 | C17 | C18 | 67.1° | 62.5° |
| O04 | C03 | C02 | H1 | 55.0° | 57.0° |
| O04 | C03 | C17 | H10 | 52.8° | 57.5° |
| C31 | O30 | C17 | C18 | 172.8° | 178.9° |
| C31 | O30 | C17 | H10 | 68.6° | 58.8° |
| O30 | C31 | C43 | H29 | 67.2° | 62.3° |
| O30 | C17 | C18 | H10 | 118.8° | 120.0° |
| O30 | C17 | C03 | H2 | 67.2° | 62.3° |
| O30 | C17 | C18 | H11 | 173.9° | 175.0° |
| O30 | C17 | C18 | H12 | 53.2° | 55.0° |
| C17 | O30 | C31 | H21 | 67.8° | 58.8° |
| C34 | C33 | H22 | H23 | 121.3° | 120.0° |
| C33 | C34 | H24 | H25 | 118.6° | 120.1° |
| C18 | C17 | C03 | H2 | 51.8° | 57.7° |
| C17 | C18 | H11 | H12 | 121.1° | 120.0° |
| C06 | C07 | C08 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | C15 | 0.3° | 0.3° |
| C06 | C07 | C08 | C09 | 179.5° | 180.0° |
| C07 | C08 | C15 | C14 | 179.8° | 179.7° |
| C07 | C08 | C15 | C09 | 179.8° | 179.7° |
| C07 | C08 | C09 | C10 | 179.7° | 180.0° |
| C08 | C07 | C06 | H3 | 0.7° | 0.1° |
| C07 | C08 | C09 | H7 | 0.3° | 0.1° |
| C07 | C08 | C15 | H9 | 0.2° | 0.3° |
| C14 | C15 | C08 | H9 | 180.0° | 179.4° |
| C15 | C14 | C12 | H8 | 180.0° | 179.8° |
| C14 | C15 | C08 | C09 | 0.0° | 0.6° |
| C15 | C14 | C12 | C10 | 0.1° | 0.3° |
| C15 | C14 | C12 | O13 | 180.0° | 179.7° |
| C08 | C15 | C14 | C12 | 0.1° | 0.6° |
| C15 | C08 | C09 | C10 | 0.1° | 0.3° |
| C15 | C08 | C07 | H5 | 179.7° | 179.7° |
| C15 | C08 | C09 | H7 | 180.0° | 179.8° |
| C08 | C15 | C14 | H8 | 179.9° | 179.7° |
| C14 | C12 | C10 | O13 | 179.9° | 180.0° |
| C14 | C12 | C10 | C09 | 0.0° | 0.0° |
| C14 | C12 | C10 | O11 | 179.5° | 180.0° |
| C12 | C14 | C15 | H9 | 179.9° | 180.0° |
| C14 | C12 | O13 | H32 | 180.0° | 90.0° |
| C08 | C09 | C10 | C12 | 0.1° | 0.0° |
| C08 | C09 | C10 | H7 | 180.0° | 179.9° |
| C08 | C09 | C10 | O11 | 179.6° | 180.0° |
| C09 | C08 | C07 | H5 | 0.5° | 0.0° |
| C09 | C08 | C15 | H9 | 180.0° | 180.0° |
| C12 | C10 | C09 | O11 | 179.5° | 180.0° |
| C12 | C10 | C09 | H7 | 180.0° | 180.0° |
| C10 | C12 | C14 | H8 | 179.9° | 179.9° |
| C12 | C10 | O11 | H31 | 180.0° | 90.0° |
| C10 | C12 | O13 | H32 | 0.1° | 90.0° |
| O13 | C12 | C10 | C09 | 179.9° | 180.0° |
| O13 | C12 | C10 | O11 | 0.4° | 0.0° |
| O13 | C12 | C14 | H8 | 0.0° | 0.1° |
| C09 | C10 | O11 | H31 | 0.5° | 89.9° |
| O11 | C10 | C09 | H7 | 0.4° | 0.1° |
| H1 | C02 | C03 | H2 | 173.7° | 177.2° |
| H1 | C02 | C43 | H29 | 173.0° | 177.2° |
| H1 | C02 | O01 | H30 | 61.4° | 60.2° |
| H2 | C03 | C17 | H10 | 171.7° | 177.7° |
| H3 | C06 | C07 | H5 | 179.3° | 180.0° |
| H8 | C14 | C15 | H9 | 0.1° | 0.2° |
| H10 | C17 | C18 | H11 | 55.1° | 65.0° |
| H10 | C17 | C18 | H12 | 65.6° | 175.0° |
| H13 | C20 | C28 | H20 | 51.4° | 62.4° |
| H14 | C22 | C23 | H15 | 63.7° | 60.0° |
| H14 | C22 | C23 | H16 | 176.3° | 60.0° |
| H14 | C22 | C23 | H17 | 56.4° | 180.0° |
| H14 | C22 | C24 | H18 | 148.1° | 177.7° |
| H15 | C23 | H16 | H17 | 120.0° | 120.1° |
| H18 | C24 | C26 | H19 | 166.0° | 177.2° |
| H18 | C24 | O25 | H33 | 62.2° | 59.8° |
| H19 | C26 | C28 | H20 | 63.4° | 57.1° |
| H19 | C26 | O27 | H34 | 60.8° | 60.2° |
| H20 | C28 | O29 | H35 | 58.5° | 60.1° |
| H21 | C31 | C43 | H29 | 171.9° | 177.7° |
| H22 | C33 | C34 | H24 | 175.0° | 179.9° |
| H22 | C33 | C34 | H25 | 65.9° | 60.0° |
| H23 | C33 | C34 | H24 | 64.1° | 60.0° |
| H23 | C33 | C34 | H25 | 55.0° | 180.0° |
| H26 | C36 | C37 | H27 | 0.0° | 0.0° |
| H29 | C43 | O44 | H38 | 60.1° | 59.9° |
