8TE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O71 | P68 | doub | 1.48Å | 1.61Å | |
| O70 | P68 | sing | 1.61Å | 1.51Å | |
| P68 | O72 | sing | 1.61Å | 1.51Å | |
| P68 | C67 | sing | 1.82Å | 1.81Å | |
| C67 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| O40 | P36 | doub | 1.48Å | 1.50Å | |
| O41 | P36 | sing | 1.61Å | 1.50Å | |
| C12 | C48 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.38Å | 1.47Å | Aromatic |
| P36 | C35 | sing | 1.82Å | 1.81Å | |
| P36 | O39 | sing | 1.61Å | 1.61Å | |
| C8 | C13 | sing | 1.39Å | 1.49Å | Aromatic |
| C8 | C7 | sing | 1.50Å | 1.51Å | |
| C48 | C16 | sing | 1.50Å | 1.51Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | O51 | sing | 1.36Å | 1.37Å | |
| C35 | C20 | sing | 1.51Å | 1.53Å | |
| C7 | C3 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | sing | 1.39Å | 1.48Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C1 | sing | 1.39Å | 1.47Å | Aromatic |
| O37 | P35 | doub | 1.48Å | 1.51Å | |
| C34 | C6 | sing | 1.51Å | 1.51Å | |
| C34 | P35 | sing | 1.82Å | 1.82Å | |
| O38 | P35 | sing | 1.61Å | 1.60Å | |
| C17 | O31 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | doub | 1.39Å | 1.48Å | Aromatic |
| C6 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| P35 | O36 | sing | 1.61Å | 1.51Å | |
| C1 | O33 | sing | 1.36Å | 1.35Å | |
| C1 | C2 | doub | 1.39Å | 1.47Å | Aromatic |
| C18 | C33 | sing | 1.51Å | 1.52Å | |
| C4 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C30 | sing | 1.50Å | 1.51Å | |
| O28 | C43 | sing | 1.36Å | 1.35Å | |
| C33 | C42 | sing | 1.52Å | 1.52Å | |
| C43 | C42 | doub | 1.39Å | 1.47Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.47Å | Aromatic |
| C42 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C44 | sing | 1.50Å | 1.51Å | |
| C44 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | P23 | sing | 1.82Å | 1.80Å | |
| P23 | O26 | doub | 1.48Å | 1.50Å | |
| P23 | O25 | sing | 1.61Å | 1.61Å | |
| P23 | O24 | sing | 1.61Å | 1.51Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C33 | H5 | sing | 1.09Å | 1.10Å | |
| C33 | H6 | sing | 1.09Å | 1.10Å | |
| C34 | H7 | sing | 1.09Å | 1.10Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| O31 | H11 | sing | 0.97Å | 0.95Å | |
| C45 | H12 | sing | 1.08Å | 1.08Å | |
| C47 | H13 | sing | 1.08Å | 1.08Å | |
| C48 | H14 | sing | 1.09Å | 1.10Å | |
| C48 | H15 | sing | 1.09Å | 1.10Å | |
| O41 | H16 | sing | 0.97Å | 0.95Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| O33 | H23 | sing | 0.97Å | 0.95Å | |
| O36 | H24 | sing | 0.97Å | 0.95Å | |
| O38 | H25 | sing | 0.97Å | 0.95Å | |
| O51 | H26 | sing | 0.97Å | 0.95Å | |
| C67 | H27 | sing | 1.09Å | 1.10Å | |
| C67 | H28 | sing | 1.09Å | 1.10Å | |
| O70 | H29 | sing | 0.97Å | 0.95Å | |
| O72 | H30 | sing | 0.97Å | 0.95Å | |
| O24 | H31 | sing | 0.97Å | 0.95Å | |
| O25 | H32 | sing | 0.97Å | 0.95Å | |
| O28 | H33 | sing | 0.97Å | 0.95Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| O39 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O71 | P68 | O70 | 110.1° | 109.5° |
| O71 | P68 | O72 | 110.7° | 109.5° |
| O71 | P68 | C67 | 110.9° | 109.5° |
| O70 | P68 | O72 | 108.6° | 109.5° |
| O70 | P68 | C67 | 107.2° | 109.5° |
| P68 | O70 | H29 | 109.5° | 114.0° |
| O72 | P68 | C67 | 109.2° | 109.4° |
| P68 | O72 | H30 | 109.5° | 114.0° |
| P68 | C67 | C10 | 109.6° | 109.5° |
| P68 | C67 | H27 | 109.4° | 109.5° |
| P68 | C67 | H28 | 109.4° | 109.4° |
| C67 | C10 | C11 | 119.6° | 120.0° |
| C67 | C10 | C9 | 119.1° | 119.9° |
| C10 | C67 | H27 | 109.4° | 109.5° |
| C10 | C67 | H28 | 109.4° | 109.5° |
| C11 | C10 | C9 | 121.3° | 120.1° |
| C10 | C11 | C12 | 121.2° | 119.9° |
| C10 | C11 | H1 | 119.4° | 120.0° |
| C10 | C9 | C8 | 121.6° | 120.1° |
| C10 | C9 | H21 | 119.2° | 120.0° |
| C11 | C12 | C48 | 122.4° | 119.3° |
| C11 | C12 | C13 | 119.4° | 120.1° |
| C12 | C11 | H1 | 119.4° | 120.1° |
| C9 | C8 | C13 | 118.7° | 119.9° |
| C9 | C8 | C7 | 119.7° | 120.1° |
| C8 | C9 | H21 | 119.2° | 120.0° |
| O40 | P36 | O41 | 112.9° | 109.5° |
| O40 | P36 | C35 | 111.4° | 109.5° |
| O40 | P36 | O39 | 111.5° | 109.5° |
| O41 | P36 | C35 | 108.4° | 109.5° |
| O41 | P36 | O39 | 105.9° | 109.5° |
| P36 | O41 | H16 | 109.5° | 113.9° |
| C48 | C12 | C13 | 118.1° | 120.6° |
| C12 | C48 | C16 | 105.6° | 110.2° |
| C12 | C48 | H14 | 110.5° | 109.4° |
| C12 | C48 | H15 | 110.5° | 109.3° |
| C12 | C13 | C8 | 117.7° | 119.9° |
| C12 | C13 | O51 | 119.9° | 120.1° |
| C35 | P36 | O39 | 106.4° | 109.4° |
| P36 | C35 | C20 | 115.5° | 109.4° |
| P36 | C35 | H9 | 108.0° | 109.5° |
| P36 | C35 | H10 | 107.9° | 109.5° |
| P36 | O39 | H36 | 109.5° | 114.0° |
| C13 | C8 | C7 | 121.5° | 120.0° |
| C8 | C13 | O51 | 122.4° | 120.0° |
| C8 | C7 | C3 | 111.8° | 110.1° |
| C8 | C7 | H19 | 108.9° | 109.3° |
| C8 | C7 | H20 | 108.9° | 109.2° |
| C48 | C16 | C15 | 120.0° | 120.1° |
| C48 | C16 | C17 | 121.5° | 120.0° |
| C16 | C48 | H14 | 110.4° | 109.3° |
| C16 | C48 | H15 | 110.4° | 109.3° |
| C16 | C15 | C20 | 122.1° | 120.0° |
| C15 | C16 | C17 | 118.5° | 119.9° |
| C16 | C15 | H2 | 119.0° | 120.0° |
| C15 | C20 | C35 | 120.2° | 119.9° |
| C15 | C20 | C19 | 120.9° | 120.2° |
| C20 | C15 | H2 | 118.9° | 120.0° |
| C13 | O51 | H26 | 109.5° | 114.0° |
| C35 | C20 | C19 | 118.8° | 119.9° |
| C20 | C35 | H9 | 107.9° | 109.5° |
| C20 | C35 | H10 | 107.9° | 109.5° |
| C7 | C3 | C5 | 125.5° | 119.9° |
| C7 | C3 | C1 | 118.2° | 120.3° |
| C3 | C7 | H19 | 108.9° | 109.4° |
| C3 | C7 | H20 | 108.9° | 109.4° |
| C16 | C17 | O31 | 120.0° | 120.0° |
| C16 | C17 | C18 | 118.1° | 119.9° |
| C20 | C19 | C18 | 121.4° | 120.0° |
| C20 | C19 | H22 | 119.3° | 120.0° |
| C3 | C5 | C6 | 121.3° | 120.2° |
| C5 | C3 | C1 | 116.3° | 119.8° |
| C3 | C5 | H18 | 119.3° | 119.9° |
| C5 | C6 | C34 | 122.8° | 120.0° |
| C5 | C6 | C4 | 122.9° | 120.1° |
| C6 | C5 | H18 | 119.4° | 119.9° |
| C3 | C1 | O33 | 119.5° | 120.0° |
| C3 | C1 | C2 | 120.3° | 120.0° |
| O37 | P35 | C34 | 108.9° | 109.5° |
| O37 | P35 | O38 | 110.3° | 109.5° |
| O37 | P35 | O36 | 110.7° | 109.4° |
| C6 | C34 | P35 | 110.3° | 109.5° |
| C34 | C6 | C4 | 114.3° | 120.0° |
| C6 | C34 | H7 | 109.2° | 109.5° |
| C6 | C34 | H8 | 109.3° | 109.5° |
| C34 | P35 | O38 | 107.7° | 109.5° |
| C34 | P35 | O36 | 110.7° | 109.5° |
| P35 | C34 | H7 | 109.3° | 109.4° |
| P35 | C34 | H8 | 109.2° | 109.5° |
| O38 | P35 | O36 | 108.5° | 109.5° |
| P35 | O38 | H25 | 109.5° | 114.0° |
| O31 | C17 | C18 | 121.9° | 120.0° |
| C17 | O31 | H11 | 109.5° | 114.0° |
| C17 | C18 | C19 | 118.9° | 120.0° |
| C17 | C18 | C33 | 120.7° | 119.9° |
| C6 | C4 | C2 | 120.0° | 120.1° |
| C6 | C4 | H17 | 120.0° | 120.0° |
| C19 | C18 | C33 | 120.4° | 120.1° |
| C18 | C19 | H22 | 119.3° | 120.1° |
| P35 | O36 | H24 | 109.5° | 114.0° |
| O33 | C1 | C2 | 120.2° | 120.0° |
| C1 | O33 | H23 | 109.5° | 114.0° |
| C1 | C2 | C4 | 119.1° | 119.8° |
| C1 | C2 | C30 | 121.2° | 121.2° |
| C18 | C33 | C42 | 111.2° | 109.8° |
| C18 | C33 | H5 | 109.1° | 109.5° |
| C18 | C33 | H6 | 109.0° | 109.4° |
| C4 | C2 | C30 | 119.7° | 119.0° |
| C2 | C4 | H17 | 120.0° | 120.0° |
| C2 | C30 | C44 | 108.2° | 111.2° |
| C2 | C30 | H34 | 109.8° | 109.1° |
| C2 | C30 | H35 | 109.8° | 109.1° |
| O28 | C43 | C42 | 121.7° | 120.0° |
| O28 | C43 | C44 | 119.7° | 120.1° |
| C43 | O28 | H33 | 109.5° | 114.0° |
| C33 | C42 | C43 | 120.1° | 120.0° |
| C33 | C42 | C47 | 121.4° | 120.0° |
| C42 | C33 | H5 | 109.0° | 109.5° |
| C42 | C33 | H6 | 109.1° | 109.2° |
| C42 | C43 | C44 | 118.6° | 119.9° |
| C43 | C42 | C47 | 118.5° | 120.0° |
| C43 | C44 | C30 | 118.1° | 120.3° |
| C43 | C44 | C45 | 119.1° | 119.8° |
| C42 | C47 | C46 | 121.3° | 120.0° |
| C42 | C47 | H13 | 119.4° | 120.1° |
| C30 | C44 | C45 | 122.8° | 119.9° |
| C44 | C30 | H34 | 109.8° | 109.1° |
| C44 | C30 | H35 | 109.8° | 109.2° |
| C44 | C45 | C46 | 121.1° | 120.1° |
| C44 | C45 | H12 | 119.5° | 119.9° |
| C47 | C46 | C45 | 121.4° | 120.2° |
| C47 | C46 | C22 | 118.8° | 119.9° |
| C46 | C47 | H13 | 119.4° | 119.9° |
| C45 | C46 | C22 | 119.8° | 119.8° |
| C46 | C45 | H12 | 119.5° | 120.0° |
| C46 | C22 | P23 | 114.1° | 109.4° |
| C46 | C22 | H3 | 108.3° | 109.4° |
| C46 | C22 | H4 | 108.3° | 109.5° |
| C22 | P23 | O26 | 105.3° | 109.5° |
| C22 | P23 | O25 | 108.2° | 109.5° |
| C22 | P23 | O24 | 110.4° | 109.5° |
| P23 | C22 | H3 | 108.3° | 109.5° |
| P23 | C22 | H4 | 108.3° | 109.5° |
| O26 | P23 | O25 | 110.6° | 109.5° |
| O26 | P23 | O24 | 110.2° | 109.4° |
| O25 | P23 | O24 | 111.8° | 109.5° |
| P23 | O25 | H32 | 109.5° | 114.0° |
| P23 | O24 | H31 | 109.5° | 114.0° |
| H3 | C22 | H4 | 109.5° | 109.4° |
| H5 | C33 | H6 | 109.4° | 109.4° |
| H7 | C34 | H8 | 109.5° | 109.4° |
| H9 | C35 | H10 | 109.5° | 109.5° |
| H14 | C48 | H15 | 109.5° | 109.2° |
| H19 | C7 | H20 | 109.5° | 109.4° |
| H27 | C67 | H28 | 109.5° | 109.4° |
| H34 | C30 | H35 | 109.4° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O71 | P68 | O70 | O72 | 121.4° | 120.0° |
| O71 | P68 | O70 | C67 | 120.7° | 120.0° |
| O71 | P68 | O72 | C67 | 122.5° | 120.0° |
| O71 | P68 | C67 | C10 | 162.8° | 55.0° |
| O71 | P68 | C67 | H27 | 77.1° | 175.0° |
| O71 | P68 | C67 | H28 | 42.8° | 65.0° |
| O71 | P68 | O70 | H29 | 0.0° | 60.0° |
| O71 | P68 | O72 | H30 | 0.0° | 180.0° |
| O70 | P68 | O72 | C67 | 116.6° | 120.0° |
| O70 | P68 | C67 | C10 | 77.0° | 175.0° |
| O70 | P68 | C67 | H27 | 43.1° | 64.9° |
| O70 | P68 | C67 | H28 | 163.0° | 55.0° |
| O70 | P68 | O72 | H30 | 121.0° | 60.0° |
| O72 | P68 | C67 | C10 | 40.5° | 65.0° |
| O72 | P68 | C67 | H27 | 160.5° | 55.1° |
| O72 | P68 | C67 | H28 | 79.5° | 175.0° |
| O72 | P68 | O70 | H29 | 121.4° | 60.0° |
| P68 | C67 | C10 | H27 | 120.0° | 120.1° |
| P68 | C67 | C10 | H28 | 120.0° | 120.0° |
| P68 | C67 | C10 | C11 | 70.9° | 90.0° |
| P68 | C67 | C10 | C9 | 109.0° | 90.0° |
| P68 | C67 | H27 | H28 | 119.9° | 119.9° |
| C67 | P68 | O70 | H29 | 120.7° | 180.0° |
| C67 | P68 | O72 | H30 | 122.4° | 60.1° |
| C67 | C10 | C11 | C9 | 179.9° | 180.0° |
| C67 | C10 | C11 | C12 | 179.8° | 179.8° |
| C67 | C10 | C9 | C8 | 179.9° | 179.8° |
| C67 | C10 | C11 | H1 | 0.2° | 0.2° |
| C67 | C10 | C9 | H21 | 0.1° | 0.3° |
| C10 | C67 | H27 | H28 | 119.9° | 120.0° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.2° |
| C10 | C11 | C12 | C48 | 178.7° | 179.8° |
| C10 | C11 | C12 | C13 | 0.5° | 0.3° |
| C11 | C10 | C9 | H21 | 179.7° | 179.8° |
| C11 | C10 | C67 | H27 | 49.2° | 150.0° |
| C11 | C10 | C67 | H28 | 169.1° | 30.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.2° |
| C10 | C9 | C8 | H21 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 0.1° | 0.5° |
| C10 | C9 | C8 | C7 | 178.5° | 179.1° |
| C9 | C10 | C11 | H1 | 180.0° | 179.8° |
| C9 | C10 | C67 | H27 | 131.0° | 30.0° |
| C9 | C10 | C67 | H28 | 11.0° | 150.0° |
| C11 | C12 | C48 | C13 | 178.3° | 179.9° |
| C11 | C12 | C13 | C8 | 0.6° | 0.0° |
| C11 | C12 | C48 | C16 | 100.1° | 176.0° |
| C11 | C12 | C13 | O51 | 179.8° | 179.9° |
| C11 | C12 | C48 | H14 | 140.6° | 63.8° |
| C11 | C12 | C48 | H15 | 19.3° | 55.8° |
| C9 | C8 | C13 | C12 | 0.3° | 0.4° |
| C9 | C8 | C13 | C7 | 178.6° | 179.6° |
| C9 | C8 | C13 | O51 | 179.9° | 179.6° |
| C9 | C8 | C7 | C3 | 98.0° | 89.2° |
| C9 | C8 | C7 | H19 | 22.4° | 31.1° |
| C9 | C8 | C7 | H20 | 141.7° | 150.7° |
| O40 | P36 | O41 | C35 | 123.8° | 120.0° |
| O40 | P36 | O41 | O39 | 122.3° | 120.0° |
| O40 | P36 | C35 | O39 | 121.7° | 120.0° |
| O40 | P36 | C35 | C20 | 53.2° | 55.0° |
| O40 | P36 | C35 | H9 | 174.0° | 175.0° |
| O40 | P36 | C35 | H10 | 67.7° | 65.0° |
| O40 | P36 | O41 | H16 | 0.0° | 180.0° |
| O40 | P36 | O39 | H36 | 0.0° | 60.0° |
| O41 | P36 | C35 | O39 | 113.6° | 120.0° |
| O41 | P36 | C35 | C20 | 177.9° | 65.0° |
| O41 | P36 | C35 | H9 | 61.2° | 55.0° |
| O41 | P36 | C35 | H10 | 57.0° | 175.0° |
| O41 | P36 | O39 | H36 | 123.2° | 60.0° |
| C48 | C12 | C13 | C8 | 179.0° | 179.9° |
| C12 | C48 | C16 | H14 | 119.4° | 120.2° |
| C12 | C48 | C16 | H15 | 119.4° | 120.2° |
| C12 | C48 | C16 | C15 | 78.3° | 98.5° |
| C48 | C12 | C13 | O51 | 1.5° | 0.1° |
| C12 | C48 | C16 | C17 | 101.2° | 82.6° |
| C48 | C12 | C11 | H1 | 1.3° | 0.2° |
| C12 | C48 | H14 | H15 | 121.8° | 119.6° |
| C12 | C13 | C8 | O51 | 179.6° | 180.0° |
| C12 | C13 | C8 | C7 | 178.9° | 179.2° |
| C13 | C12 | C48 | C16 | 78.2° | 3.9° |
| C13 | C12 | C11 | H1 | 179.5° | 179.7° |
| C13 | C12 | C48 | H14 | 41.2° | 116.3° |
| C13 | C12 | C48 | H15 | 162.5° | 124.1° |
| C12 | C13 | O51 | H26 | 180.0° | 90.0° |
| P36 | C35 | C20 | C15 | 73.2° | 90.0° |
| P36 | C35 | C20 | H9 | 120.9° | 120.0° |
| P36 | C35 | C20 | H10 | 120.9° | 120.0° |
| P36 | C35 | C20 | C19 | 109.6° | 89.9° |
| P36 | C35 | H9 | H10 | 117.3° | 120.0° |
| C35 | P36 | O41 | H16 | 123.8° | 60.0° |
| C35 | P36 | O39 | H36 | 121.6° | 180.0° |
| O39 | P36 | C35 | C20 | 68.5° | 175.0° |
| O39 | P36 | C35 | H9 | 52.3° | 65.0° |
| O39 | P36 | C35 | H10 | 170.6° | 55.0° |
| O39 | P36 | O41 | H16 | 122.3° | 60.0° |
| C13 | C8 | C7 | C3 | 80.6° | 91.2° |
| C13 | C8 | C7 | H19 | 159.1° | 148.5° |
| C13 | C8 | C7 | H20 | 39.8° | 28.9° |
| C13 | C8 | C9 | H21 | 179.9° | 179.4° |
| C8 | C13 | O51 | H26 | 0.5° | 90.0° |
| C7 | C8 | C13 | O51 | 1.5° | 0.8° |
| C8 | C7 | C3 | H19 | 120.3° | 120.2° |
| C8 | C7 | C3 | H20 | 120.4° | 120.0° |
| C8 | C7 | C3 | C5 | 84.0° | 81.4° |
| C8 | C7 | C3 | C1 | 96.8° | 99.4° |
| C8 | C7 | H19 | H20 | 118.9° | 119.5° |
| C7 | C8 | C9 | H21 | 1.5° | 1.0° |
| C48 | C16 | C15 | C17 | 179.5° | 178.9° |
| C48 | C16 | C15 | C20 | 179.7° | 178.5° |
| C48 | C16 | C17 | O31 | 0.9° | 1.7° |
| C48 | C16 | C17 | C18 | 179.6° | 178.3° |
| C48 | C16 | C15 | H2 | 0.3° | 1.4° |
| C16 | C48 | H14 | H15 | 121.8° | 119.6° |
| C16 | C15 | C20 | H2 | 180.0° | 179.9° |
| C16 | C15 | C20 | C35 | 178.5° | 179.9° |
| C16 | C15 | C20 | C19 | 1.3° | 0.0° |
| C15 | C16 | C17 | O31 | 179.6° | 179.4° |
| C15 | C16 | C17 | C18 | 0.1° | 0.6° |
| C15 | C16 | C48 | H14 | 162.3° | 141.3° |
| C15 | C16 | C48 | H15 | 41.1° | 21.7° |
| C15 | C20 | C35 | C19 | 177.2° | 179.9° |
| C20 | C15 | C16 | C17 | 0.8° | 0.4° |
| C15 | C20 | C19 | C18 | 1.2° | 0.1° |
| C15 | C20 | C35 | H9 | 166.0° | 150.0° |
| C15 | C20 | C35 | H10 | 47.7° | 30.0° |
| C15 | C20 | C19 | H22 | 178.8° | 179.9° |
| C35 | C20 | C19 | C18 | 178.4° | 179.8° |
| C35 | C20 | C15 | H2 | 1.5° | 0.2° |
| C20 | C35 | H9 | H10 | 117.3° | 120.0° |
| C35 | C20 | C19 | H22 | 1.6° | 0.2° |
| C7 | C3 | C5 | C1 | 179.2° | 179.2° |
| C7 | C3 | C5 | C6 | 179.6° | 178.6° |
| C7 | C3 | C1 | O33 | 0.3° | 1.6° |
| C7 | C3 | C1 | C2 | 179.7° | 178.1° |
| C7 | C3 | C5 | H18 | 0.3° | 1.5° |
| C3 | C7 | H19 | H20 | 118.9° | 119.8° |
| C16 | C17 | O31 | C18 | 179.5° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.5° |
| C16 | C17 | C18 | C33 | 179.8° | 179.5° |
| C17 | C16 | C15 | H2 | 179.2° | 179.7° |
| C16 | C17 | O31 | H11 | 180.0° | 90.1° |
| C17 | C16 | C48 | H14 | 18.2° | 37.6° |
| C17 | C16 | C48 | H15 | 139.4° | 157.2° |
| C20 | C19 | C18 | C17 | 0.5° | 0.1° |
| C20 | C19 | C18 | H22 | 180.0° | 180.0° |
| C20 | C19 | C18 | C33 | 179.3° | 179.9° |
| C19 | C20 | C15 | H2 | 178.7° | 179.9° |
| C19 | C20 | C35 | H9 | 11.3° | 30.1° |
| C19 | C20 | C35 | H10 | 129.5° | 150.1° |
| C3 | C5 | C6 | H18 | 180.0° | 180.0° |
| C3 | C5 | C6 | C34 | 179.5° | 179.9° |
| C3 | C5 | C6 | C4 | 0.4° | 0.1° |
| C5 | C3 | C1 | O33 | 179.5° | 179.2° |
| C5 | C3 | C1 | C2 | 0.4° | 1.0° |
| C5 | C3 | C7 | H19 | 36.3° | 38.8° |
| C5 | C3 | C7 | H20 | 155.6° | 158.6° |
| C6 | C5 | C3 | C1 | 0.5° | 0.6° |
| C5 | C6 | C34 | C4 | 179.9° | 179.8° |
| C5 | C6 | C34 | P35 | 94.2° | 90.0° |
| C5 | C6 | C4 | C2 | 0.2° | 0.5° |
| C5 | C6 | C34 | H7 | 145.7° | 150.0° |
| C5 | C6 | C34 | H8 | 26.0° | 30.1° |
| C5 | C6 | C4 | H17 | 179.8° | 179.5° |
| C3 | C1 | O33 | C2 | 180.0° | 179.7° |
| C3 | C1 | C2 | C4 | 0.3° | 0.7° |
| C3 | C1 | C2 | C30 | 179.8° | 179.2° |
| C1 | C3 | C5 | H18 | 179.5° | 179.4° |
| C1 | C3 | C7 | H19 | 142.8° | 140.4° |
| C1 | C3 | C7 | H20 | 23.5° | 20.6° |
| C3 | C1 | O33 | H23 | 180.0° | 90.3° |
| O37 | P35 | C34 | C6 | 55.3° | 55.0° |
| O37 | P35 | C34 | O38 | 119.6° | 120.0° |
| O37 | P35 | C34 | O36 | 121.9° | 120.0° |
| O37 | P35 | O38 | O36 | 121.4° | 120.0° |
| O37 | P35 | C34 | H7 | 175.4° | 65.0° |
| O37 | P35 | C34 | H8 | 64.9° | 175.0° |
| O37 | P35 | O36 | H24 | 0.0° | 180.0° |
| O37 | P35 | O38 | H25 | 0.0° | 60.0° |
| C6 | C34 | P35 | H7 | 120.1° | 120.0° |
| C6 | C34 | P35 | H8 | 120.1° | 120.0° |
| C6 | C34 | P35 | O38 | 174.9° | 175.0° |
| C6 | C34 | P35 | O36 | 66.6° | 65.0° |
| C34 | C6 | C4 | C2 | 179.7° | 179.8° |
| C6 | C34 | H7 | H8 | 119.6° | 120.0° |
| C34 | C6 | C4 | H17 | 0.3° | 0.3° |
| C34 | C6 | C5 | H18 | 0.5° | 0.1° |
| C34 | P35 | O38 | O36 | 119.9° | 120.0° |
| P35 | C34 | C6 | C4 | 85.9° | 90.2° |
| P35 | C34 | H7 | H8 | 119.6° | 120.0° |
| C34 | P35 | O36 | H24 | 120.8° | 60.0° |
| C34 | P35 | O38 | H25 | 118.7° | 179.9° |
| O38 | P35 | C34 | H7 | 65.0° | 55.0° |
| O38 | P35 | C34 | H8 | 54.8° | 65.0° |
| O38 | P35 | O36 | H24 | 121.2° | 60.0° |
| O31 | C17 | C18 | C19 | 179.5° | 179.5° |
| O31 | C17 | C18 | C33 | 0.4° | 0.5° |
| C17 | C18 | C19 | C33 | 179.8° | 180.0° |
| C17 | C18 | C33 | C42 | 100.4° | 98.0° |
| C17 | C18 | C33 | H5 | 19.9° | 22.3° |
| C17 | C18 | C33 | H6 | 139.3° | 142.2° |
| C18 | C17 | O31 | H11 | 0.5° | 90.0° |
| C17 | C18 | C19 | H22 | 179.4° | 179.9° |
| C6 | C4 | C2 | C1 | 0.2° | 0.1° |
| C6 | C4 | C2 | H17 | 180.0° | 180.0° |
| C6 | C4 | C2 | C30 | 179.9° | 179.9° |
| C4 | C6 | C34 | H7 | 34.2° | 29.7° |
| C4 | C6 | C34 | H8 | 153.9° | 149.7° |
| C4 | C6 | C5 | H18 | 179.6° | 179.9° |
| C19 | C18 | C33 | C42 | 79.8° | 82.1° |
| C19 | C18 | C33 | H5 | 160.0° | 157.7° |
| C19 | C18 | C33 | H6 | 40.5° | 37.8° |
| O36 | P35 | C34 | H7 | 53.5° | 175.0° |
| O36 | P35 | C34 | H8 | 173.2° | 55.0° |
| O36 | P35 | O38 | H25 | 121.4° | 59.9° |
| O33 | C1 | C2 | C4 | 179.6° | 179.6° |
| O33 | C1 | C2 | C30 | 0.2° | 0.6° |
| C1 | C2 | C4 | C30 | 179.9° | 179.9° |
| C1 | C2 | C30 | C44 | 99.8° | 5.8° |
| C1 | C2 | C4 | H17 | 179.9° | 179.9° |
| C2 | C1 | O33 | H23 | 0.0° | 90.0° |
| C1 | C2 | C30 | H34 | 140.4° | 126.2° |
| C1 | C2 | C30 | H35 | 20.0° | 114.7° |
| C18 | C33 | C42 | H5 | 120.3° | 120.2° |
| C18 | C33 | C42 | H6 | 120.3° | 120.0° |
| C18 | C33 | C42 | C43 | 75.5° | 93.3° |
| C18 | C33 | C42 | C47 | 103.9° | 86.2° |
| C18 | C33 | H5 | H6 | 119.2° | 119.9° |
| C33 | C18 | C19 | H22 | 0.7° | 0.1° |
| C4 | C2 | C30 | C44 | 80.3° | 174.3° |
| C4 | C2 | C30 | H34 | 39.5° | 53.9° |
| C4 | C2 | C30 | H35 | 159.9° | 65.2° |
| C2 | C30 | C44 | C43 | 79.9° | 73.7° |
| C2 | C30 | C44 | H34 | 119.8° | 120.4° |
| C2 | C30 | C44 | H35 | 119.8° | 120.4° |
| C2 | C30 | C44 | C45 | 100.1° | 108.0° |
| C30 | C2 | C4 | H17 | 0.0° | 0.0° |
| C2 | C30 | H34 | H35 | 120.6° | 119.1° |
| O28 | C43 | C42 | C33 | 0.6° | 1.1° |
| O28 | C43 | C42 | C44 | 179.9° | 179.5° |
| O28 | C43 | C42 | C47 | 180.0° | 178.5° |
| O28 | C43 | C44 | C30 | 0.2° | 3.6° |
| O28 | C43 | C44 | C45 | 179.8° | 178.2° |
| C33 | C42 | C43 | C47 | 179.4° | 179.5° |
| C33 | C42 | C43 | C44 | 179.3° | 179.5° |
| C33 | C42 | C47 | C46 | 179.7° | 179.8° |
| C42 | C33 | H5 | H6 | 119.2° | 119.7° |
| C33 | C42 | C47 | H13 | 0.3° | 0.2° |
| C42 | C43 | C44 | C30 | 179.9° | 177.0° |
| C42 | C43 | C44 | C45 | 0.1° | 1.3° |
| C43 | C42 | C47 | C46 | 0.3° | 0.2° |
| C43 | C42 | C33 | H5 | 44.8° | 26.9° |
| C43 | C42 | C33 | H6 | 164.2° | 146.7° |
| C43 | C42 | C47 | H13 | 179.7° | 179.8° |
| C42 | C43 | O28 | H33 | 180.0° | 90.0° |
| C44 | C43 | C42 | C47 | 0.1° | 1.0° |
| C43 | C44 | C30 | C45 | 180.0° | 178.3° |
| C43 | C44 | C45 | C46 | 0.7° | 0.9° |
| C43 | C44 | C45 | H12 | 179.3° | 179.2° |
| C44 | C43 | O28 | H33 | 0.1° | 90.5° |
| C43 | C44 | C30 | H34 | 160.3° | 46.7° |
| C43 | C44 | C30 | H35 | 39.9° | 165.8° |
| C42 | C47 | C46 | H13 | 180.0° | 180.0° |
| C42 | C47 | C46 | C45 | 0.9° | 0.2° |
| C42 | C47 | C46 | C22 | 179.2° | 179.7° |
| C47 | C42 | C33 | H5 | 135.8° | 153.6° |
| C47 | C42 | C33 | H6 | 16.4° | 33.7° |
| C30 | C44 | C45 | C46 | 179.3° | 177.4° |
| C30 | C44 | C45 | H12 | 0.7° | 2.6° |
| C44 | C30 | H34 | H35 | 120.6° | 119.2° |
| C44 | C45 | C46 | C47 | 1.1° | 0.1° |
| C44 | C45 | C46 | H12 | 180.0° | 179.9° |
| C44 | C45 | C46 | C22 | 179.4° | 180.0° |
| C45 | C44 | C30 | H34 | 19.8° | 131.6° |
| C45 | C44 | C30 | H35 | 140.1° | 12.4° |
| C47 | C46 | C45 | C22 | 178.3° | 179.9° |
| C47 | C46 | C22 | P23 | 102.4° | 90.1° |
| C47 | C46 | C22 | H3 | 18.3° | 29.9° |
| C47 | C46 | C22 | H4 | 137.0° | 149.9° |
| C47 | C46 | C45 | H12 | 178.9° | 179.9° |
| C45 | C46 | C22 | P23 | 79.3° | 90.1° |
| C45 | C46 | C22 | H3 | 160.0° | 150.0° |
| C45 | C46 | C22 | H4 | 41.4° | 30.0° |
| C45 | C46 | C47 | H13 | 179.1° | 179.8° |
| C46 | C22 | P23 | H3 | 120.7° | 120.0° |
| C46 | C22 | P23 | H4 | 120.7° | 120.0° |
| C46 | C22 | P23 | O26 | 63.4° | 55.0° |
| C46 | C22 | P23 | O25 | 178.3° | 65.0° |
| C46 | C22 | P23 | O24 | 55.6° | 175.0° |
| C46 | C22 | H3 | H4 | 117.9° | 120.0° |
| C22 | C46 | C45 | H12 | 0.6° | 0.0° |
| C22 | C46 | C47 | H13 | 0.8° | 0.3° |
| C22 | P23 | O26 | O25 | 116.7° | 120.0° |
| C22 | P23 | O26 | O24 | 119.1° | 120.0° |
| C22 | P23 | O25 | O24 | 121.8° | 120.0° |
| P23 | C22 | H3 | H4 | 117.9° | 120.0° |
| C22 | P23 | O24 | H31 | 116.0° | 180.0° |
| C22 | P23 | O25 | H32 | 114.9° | 60.0° |
| O26 | P23 | O25 | O24 | 123.3° | 120.0° |
| O26 | P23 | C22 | H3 | 175.9° | 65.0° |
| O26 | P23 | C22 | H4 | 57.3° | 175.1° |
| O26 | P23 | O24 | H31 | 0.0° | 60.0° |
| O26 | P23 | O25 | H32 | 0.0° | 180.0° |
| O25 | P23 | C22 | H3 | 57.6° | 175.0° |
| O25 | P23 | C22 | H4 | 61.1° | 55.0° |
| O25 | P23 | O24 | H31 | 123.5° | 60.0° |
| O24 | P23 | C22 | H3 | 65.1° | 55.0° |
| O24 | P23 | C22 | H4 | 176.2° | 65.0° |
| O24 | P23 | O25 | H32 | 123.3° | 60.0° |
