1AS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C27 | sing | 1.51Å | 1.50Å | |
| C28 | C27 | sing | 1.51Å | 1.50Å | |
| C27 | C26 | doub | 1.31Å | 1.32Å | |
| C26 | C25 | sing | 1.51Å | 1.50Å | |
| C23 | O22 | sing | 1.43Å | 1.41Å | |
| O22 | C1 | sing | 1.36Å | 1.37Å | |
| C25 | C6 | sing | 1.51Å | 1.51Å | |
| O36 | C35 | doub | 1.22Å | 1.17Å | |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.45Å | Aromatic |
| C35 | C34 | sing | 1.47Å | 1.44Å | |
| C35 | O37 | sing | 1.35Å | 1.11Å | |
| O19 | C10 | doub | 1.22Å | 1.19Å | |
| C34 | C33 | doub | 1.33Å | 1.29Å | |
| O24 | C2 | sing | 1.36Å | 1.35Å | |
| O24 | C31 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.47Å | 1.48Å | |
| C33 | C32 | sing | 1.51Å | 1.45Å | |
| C31 | C38 | sing | 1.51Å | 1.49Å | |
| C32 | O30 | sing | 1.43Å | 1.41Å | |
| O30 | C14 | sing | 1.36Å | 1.36Å | |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | O7 | sing | 1.35Å | 1.37Å | |
| C38 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| O7 | C8 | sing | 1.35Å | 1.38Å | |
| C8 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | F44 | sing | 1.35Å | 1.34Å | |
| C13 | C18 | sing | 1.48Å | 1.45Å | |
| C13 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.33Å | 1.33Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | O15 | sing | 1.36Å | 1.37Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| O15 | C16 | sing | 1.43Å | 1.46Å | |
| C16 | C21 | sing | 1.53Å | 1.51Å | |
| C16 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| O37 | H29 | sing | 0.97Å | 0.95Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.08Å | 1.08Å | |
| C42 | H32 | sing | 1.08Å | 1.08Å | |
| C43 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C27 | C28 | 114.4° | 120.0° |
| C29 | C27 | C26 | 122.9° | 120.0° |
| C27 | C29 | H24 | 109.5° | 109.5° |
| C27 | C29 | H25 | 109.4° | 109.5° |
| C27 | C29 | H26 | 109.5° | 109.5° |
| C28 | C27 | C26 | 122.6° | 120.0° |
| C27 | C28 | H9 | 109.5° | 109.4° |
| C27 | C28 | H10 | 109.5° | 109.5° |
| C27 | C28 | H11 | 109.5° | 109.4° |
| C27 | C26 | C25 | 128.0° | 120.0° |
| C27 | C26 | H23 | 116.0° | 120.0° |
| C26 | C25 | C6 | 112.6° | 109.4° |
| C26 | C25 | H7 | 108.7° | 109.5° |
| C26 | C25 | H8 | 108.7° | 109.4° |
| C25 | C26 | H23 | 116.0° | 120.0° |
| C23 | O22 | C1 | 115.1° | 117.0° |
| O22 | C23 | H4 | 109.5° | 109.4° |
| O22 | C23 | H5 | 109.5° | 109.5° |
| O22 | C23 | H6 | 109.5° | 109.5° |
| O22 | C1 | C6 | 119.2° | 120.0° |
| O22 | C1 | C2 | 119.9° | 120.0° |
| C25 | C6 | C1 | 117.4° | 120.2° |
| C25 | C6 | C5 | 123.5° | 120.2° |
| C6 | C25 | H7 | 108.7° | 109.5° |
| C6 | C25 | H8 | 108.7° | 109.5° |
| O36 | C35 | C34 | 112.6° | 120.0° |
| O36 | C35 | O37 | 122.3° | 120.0° |
| C6 | C1 | C2 | 120.9° | 119.9° |
| C1 | C6 | C5 | 118.6° | 119.6° |
| C1 | C2 | O24 | 114.9° | 119.7° |
| C1 | C2 | C3 | 120.3° | 120.6° |
| C6 | C5 | C10 | 124.1° | 121.0° |
| C6 | C5 | C4 | 117.9° | 120.6° |
| C34 | C35 | O37 | 124.3° | 120.0° |
| C35 | C34 | C33 | 124.0° | 120.0° |
| C35 | C34 | H14 | 118.0° | 120.0° |
| C35 | O37 | H29 | 109.5° | 117.1° |
| O19 | C10 | C5 | 120.9° | 122.0° |
| O19 | C10 | C9 | 121.2° | 122.1° |
| C34 | C33 | C32 | 116.6° | 120.0° |
| C33 | C34 | H14 | 118.0° | 120.0° |
| C34 | C33 | H15 | 121.7° | 120.0° |
| C2 | O24 | C31 | 119.4° | 117.0° |
| O24 | C2 | C3 | 124.6° | 119.8° |
| O24 | C31 | C38 | 107.8° | 109.5° |
| O24 | C31 | H27 | 109.9° | 109.5° |
| O24 | C31 | H28 | 109.9° | 109.5° |
| C2 | C3 | C4 | 120.2° | 120.2° |
| C2 | C3 | H18 | 119.9° | 119.9° |
| C10 | C5 | C4 | 117.9° | 118.4° |
| C5 | C10 | C9 | 117.7° | 116.0° |
| C5 | C4 | C3 | 121.8° | 119.0° |
| C5 | C4 | O7 | 122.5° | 121.1° |
| C10 | C9 | C14 | 123.8° | 120.8° |
| C10 | C9 | C8 | 118.7° | 118.5° |
| C33 | C32 | O30 | 106.2° | 109.5° |
| C33 | C32 | H12 | 110.3° | 109.5° |
| C33 | C32 | H13 | 110.3° | 109.5° |
| C32 | C33 | H15 | 121.7° | 120.0° |
| C31 | C38 | C39 | 120.8° | 119.9° |
| C31 | C38 | C43 | 120.8° | 120.0° |
| C38 | C31 | H27 | 109.9° | 109.5° |
| C38 | C31 | H28 | 109.9° | 109.4° |
| C32 | O30 | C14 | 116.7° | 117.0° |
| O30 | C32 | H12 | 110.3° | 109.5° |
| O30 | C32 | H13 | 110.3° | 109.4° |
| O30 | C14 | C9 | 118.2° | 120.5° |
| O30 | C14 | C13 | 120.4° | 120.5° |
| C38 | C39 | C40 | 121.2° | 120.0° |
| C39 | C38 | C43 | 118.4° | 120.1° |
| C38 | C39 | H30 | 119.4° | 120.0° |
| C39 | C40 | C41 | 118.2° | 120.0° |
| C40 | C39 | H30 | 119.4° | 120.0° |
| C39 | C40 | H31 | 120.9° | 120.0° |
| C3 | C4 | O7 | 115.5° | 119.9° |
| C4 | C3 | H18 | 119.9° | 119.9° |
| C4 | O7 | C8 | 121.2° | 122.0° |
| C38 | C43 | C42 | 121.3° | 120.0° |
| C38 | C43 | H33 | 119.4° | 120.0° |
| C14 | C9 | C8 | 117.6° | 120.7° |
| C9 | C14 | C13 | 121.4° | 119.0° |
| C9 | C8 | O7 | 121.7° | 120.9° |
| C9 | C8 | C11 | 122.5° | 119.3° |
| C40 | C41 | C42 | 122.5° | 120.0° |
| C40 | C41 | F44 | 118.4° | 120.0° |
| C41 | C40 | H31 | 120.9° | 120.1° |
| C14 | C13 | C18 | 124.0° | 121.3° |
| C14 | C13 | C12 | 117.6° | 120.0° |
| O7 | C8 | C11 | 115.8° | 119.7° |
| C8 | C11 | C12 | 118.6° | 120.4° |
| C8 | C11 | H19 | 120.7° | 119.9° |
| C43 | C42 | C41 | 118.2° | 120.0° |
| C43 | C42 | H32 | 120.9° | 120.0° |
| C42 | C43 | H33 | 119.3° | 120.0° |
| C42 | C41 | F44 | 118.5° | 120.0° |
| C41 | C42 | H32 | 120.9° | 120.0° |
| C18 | C13 | C12 | 118.1° | 118.6° |
| C13 | C18 | C17 | 120.6° | 118.0° |
| C13 | C18 | H17 | 119.7° | 121.0° |
| C13 | C12 | C11 | 122.3° | 120.5° |
| C13 | C12 | O15 | 120.4° | 118.5° |
| C18 | C17 | C16 | 121.2° | 120.0° |
| C18 | C17 | H16 | 119.4° | 120.0° |
| C17 | C18 | H17 | 119.7° | 121.0° |
| C11 | C12 | O15 | 117.3° | 121.0° |
| C12 | C11 | H19 | 120.7° | 119.7° |
| C12 | O15 | C16 | 119.2° | 117.1° |
| C17 | C16 | O15 | 111.5° | 110.6° |
| C17 | C16 | C21 | 111.1° | 109.2° |
| C17 | C16 | C20 | 111.6° | 109.3° |
| C16 | C17 | H16 | 119.4° | 120.1° |
| O15 | C16 | C21 | 104.2° | 109.3° |
| O15 | C16 | C20 | 107.0° | 109.2° |
| C21 | C16 | C20 | 111.1° | 109.2° |
| C16 | C21 | H1 | 109.5° | 109.5° |
| C16 | C21 | H2 | 109.5° | 109.5° |
| C16 | C21 | H3 | 109.5° | 109.4° |
| C16 | C20 | H20 | 109.5° | 109.5° |
| C16 | C20 | H21 | 109.5° | 109.5° |
| C16 | C20 | H22 | 109.5° | 109.4° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.4° |
| H4 | C23 | H5 | 109.5° | 109.4° |
| H4 | C23 | H6 | 109.4° | 109.5° |
| H5 | C23 | H6 | 109.5° | 109.5° |
| H7 | C25 | H8 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H9 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H12 | C32 | H13 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H22 | 109.4° | 109.5° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H24 | C29 | H25 | 109.4° | 109.4° |
| H24 | C29 | H26 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C27 | C28 | C26 | 180.0° | 179.9° |
| C29 | C27 | C26 | C25 | 178.7° | 180.0° |
| C29 | C27 | C28 | H9 | 180.0° | 120.0° |
| C29 | C27 | C28 | H10 | 60.0° | 0.1° |
| C29 | C27 | C28 | H11 | 60.0° | 120.0° |
| C29 | C27 | C26 | H23 | 1.3° | 0.1° |
| C27 | C29 | H24 | H25 | 120.0° | 120.0° |
| C27 | C29 | H24 | H26 | 120.0° | 120.0° |
| C27 | C29 | H25 | H26 | 120.0° | 120.1° |
| C28 | C27 | C26 | C25 | 1.3° | 0.0° |
| C27 | C28 | H9 | H10 | 120.0° | 119.9° |
| C27 | C28 | H9 | H11 | 120.0° | 120.0° |
| C27 | C28 | H10 | H11 | 120.0° | 120.0° |
| C28 | C27 | C26 | H23 | 178.7° | 180.0° |
| C28 | C27 | C29 | H24 | 180.0° | 90.1° |
| C28 | C27 | C29 | H25 | 60.0° | 150.0° |
| C28 | C27 | C29 | H26 | 60.0° | 29.9° |
| C27 | C26 | C25 | H23 | 180.0° | 180.0° |
| C27 | C26 | C25 | C6 | 119.2° | 125.0° |
| C27 | C26 | C25 | H7 | 1.3° | 5.0° |
| C27 | C26 | C25 | H8 | 120.4° | 115.0° |
| C26 | C27 | C28 | H9 | 0.0° | 60.1° |
| C26 | C27 | C28 | H10 | 120.0° | 180.0° |
| C26 | C27 | C28 | H11 | 120.0° | 60.0° |
| C26 | C27 | C29 | H24 | 0.0° | 90.0° |
| C26 | C27 | C29 | H25 | 119.9° | 30.0° |
| C26 | C27 | C29 | H26 | 120.1° | 150.0° |
| C26 | C25 | C6 | H7 | 120.4° | 120.0° |
| C26 | C25 | C6 | H8 | 120.4° | 120.0° |
| C26 | C25 | C6 | C1 | 90.1° | 90.1° |
| C26 | C25 | C6 | C5 | 98.2° | 90.0° |
| C26 | C25 | H7 | H8 | 118.6° | 120.0° |
| C23 | O22 | C1 | C6 | 105.9° | 90.0° |
| C23 | O22 | C1 | C2 | 73.4° | 90.0° |
| O22 | C23 | H4 | H5 | 120.0° | 120.0° |
| O22 | C23 | H4 | H6 | 120.0° | 120.0° |
| O22 | C23 | H5 | H6 | 120.0° | 120.1° |
| O22 | C1 | C6 | C25 | 10.4° | 0.1° |
| O22 | C1 | C6 | C2 | 179.3° | 180.0° |
| O22 | C1 | C6 | C5 | 177.5° | 180.0° |
| O22 | C1 | C2 | O24 | 5.8° | 0.2° |
| O22 | C1 | C2 | C3 | 178.6° | 179.7° |
| C1 | O22 | C23 | H4 | 180.0° | 60.0° |
| C1 | O22 | C23 | H5 | 60.0° | 180.0° |
| C1 | O22 | C23 | H6 | 60.0° | 60.0° |
| C25 | C6 | C1 | C5 | 172.1° | 179.9° |
| C25 | C6 | C1 | C2 | 170.3° | 179.9° |
| C25 | C6 | C5 | C10 | 10.1° | 0.4° |
| C25 | C6 | C5 | C4 | 165.9° | 179.6° |
| C6 | C25 | H7 | H8 | 118.6° | 120.1° |
| C6 | C25 | C26 | H23 | 60.8° | 55.0° |
| O36 | C35 | C34 | O37 | 169.8° | 179.9° |
| O36 | C35 | C34 | C33 | 178.0° | 0.1° |
| O36 | C35 | C34 | H14 | 2.0° | 180.0° |
| O36 | C35 | O37 | H29 | 0.0° | 0.1° |
| C6 | C1 | C2 | O24 | 173.6° | 179.8° |
| C6 | C1 | C2 | C3 | 2.0° | 0.3° |
| C1 | C6 | C5 | C10 | 178.3° | 179.5° |
| C1 | C6 | C5 | C4 | 5.6° | 0.5° |
| C1 | C6 | C25 | H7 | 30.3° | 29.9° |
| C1 | C6 | C25 | H8 | 149.4° | 150.0° |
| C2 | C1 | C6 | C5 | 1.8° | 0.0° |
| C1 | C2 | O24 | C3 | 175.4° | 179.9° |
| C1 | C2 | O24 | C31 | 176.6° | 180.0° |
| C1 | C2 | C3 | C4 | 1.9° | 0.0° |
| C1 | C2 | C3 | H18 | 178.1° | 180.0° |
| C6 | C5 | C10 | O19 | 15.1° | 12.7° |
| C6 | C5 | C10 | C4 | 176.0° | 180.0° |
| C6 | C5 | C10 | C9 | 170.9° | 167.3° |
| C6 | C5 | C4 | C3 | 6.0° | 0.7° |
| C6 | C5 | C4 | O7 | 170.5° | 179.1° |
| C5 | C6 | C25 | H7 | 141.3° | 150.0° |
| C5 | C6 | C25 | H8 | 22.2° | 30.0° |
| C35 | C34 | C33 | H14 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 177.3° | 180.0° |
| C35 | C34 | C33 | H15 | 2.7° | 0.1° |
| C34 | C35 | O37 | H29 | 168.9° | 180.0° |
| O37 | C35 | C34 | C33 | 12.2° | 180.0° |
| O37 | C35 | C34 | H14 | 167.8° | 0.1° |
| O19 | C10 | C5 | C9 | 174.0° | 180.0° |
| O19 | C10 | C5 | C4 | 168.9° | 167.3° |
| O19 | C10 | C9 | C14 | 6.8° | 12.9° |
| O19 | C10 | C9 | C8 | 172.4° | 167.4° |
| C34 | C33 | C32 | H15 | 180.0° | 179.9° |
| C34 | C33 | C32 | O30 | 55.7° | 135.0° |
| C34 | C33 | C32 | H12 | 63.7° | 105.0° |
| C34 | C33 | C32 | H13 | 175.3° | 15.1° |
| C2 | O24 | C31 | C38 | 77.7° | 180.0° |
| O24 | C2 | C3 | C4 | 173.3° | 180.0° |
| O24 | C2 | C3 | H18 | 6.7° | 0.0° |
| C2 | O24 | C31 | H27 | 42.0° | 60.0° |
| C2 | O24 | C31 | H28 | 162.6° | 60.0° |
| C31 | O24 | C2 | C3 | 1.2° | 0.0° |
| O24 | C31 | C38 | H27 | 119.8° | 120.0° |
| O24 | C31 | C38 | H28 | 119.7° | 120.0° |
| O24 | C31 | C38 | C39 | 36.1° | 89.7° |
| O24 | C31 | C38 | C43 | 143.9° | 90.0° |
| O24 | C31 | H27 | H28 | 120.8° | 120.0° |
| C2 | C3 | C4 | C5 | 2.2° | 0.4° |
| C2 | C3 | C4 | H18 | 180.0° | 180.0° |
| C2 | C3 | C4 | O7 | 174.5° | 179.3° |
| C10 | C5 | C4 | C3 | 177.8° | 179.3° |
| C10 | C5 | C4 | O7 | 5.7° | 0.9° |
| C5 | C10 | C9 | C14 | 179.2° | 167.1° |
| C5 | C10 | C9 | C8 | 1.5° | 12.6° |
| C4 | C5 | C10 | C9 | 5.1° | 12.7° |
| C5 | C4 | C3 | O7 | 176.7° | 179.8° |
| C5 | C4 | O7 | C8 | 2.6° | 16.0° |
| C5 | C4 | C3 | H18 | 177.8° | 179.6° |
| C10 | C9 | C14 | O30 | 1.7° | 1.0° |
| C10 | C9 | C14 | C8 | 179.2° | 179.7° |
| C10 | C9 | C14 | C13 | 178.8° | 179.0° |
| C10 | C9 | C8 | O7 | 1.7° | 1.2° |
| C10 | C9 | C8 | C11 | 179.6° | 179.6° |
| C33 | C32 | O30 | H12 | 119.5° | 120.0° |
| C33 | C32 | O30 | H13 | 119.5° | 120.0° |
| C33 | C32 | O30 | C14 | 141.5° | 180.0° |
| C33 | C32 | H12 | H13 | 121.5° | 120.0° |
| C32 | C33 | C34 | H14 | 2.7° | 0.1° |
| C31 | C38 | C39 | C43 | 180.0° | 179.6° |
| C31 | C38 | C39 | C40 | 178.7° | 179.7° |
| C31 | C38 | C43 | C42 | 177.7° | 179.7° |
| C38 | C31 | H27 | H28 | 120.8° | 120.0° |
| C31 | C38 | C39 | H30 | 1.3° | 0.4° |
| C31 | C38 | C43 | H33 | 2.3° | 0.1° |
| C32 | O30 | C14 | C9 | 95.5° | 90.0° |
| C32 | O30 | C14 | C13 | 85.0° | 90.1° |
| O30 | C32 | H12 | H13 | 121.5° | 120.0° |
| O30 | C32 | C33 | H15 | 124.2° | 45.0° |
| O30 | C14 | C9 | C13 | 179.5° | 179.9° |
| O30 | C14 | C9 | C8 | 177.6° | 179.4° |
| O30 | C14 | C13 | C18 | 6.6° | 0.1° |
| O30 | C14 | C13 | C12 | 178.6° | 179.4° |
| C14 | O30 | C32 | H12 | 99.0° | 60.0° |
| C14 | O30 | C32 | H13 | 22.0° | 60.0° |
| C38 | C39 | C40 | H30 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 1.8° | 0.0° |
| C39 | C38 | C43 | C42 | 2.2° | 0.0° |
| C39 | C38 | C31 | H27 | 155.9° | 30.4° |
| C39 | C38 | C31 | H28 | 83.6° | 150.3° |
| C38 | C39 | C40 | H31 | 178.2° | 179.9° |
| C39 | C38 | C43 | H33 | 177.8° | 179.7° |
| C40 | C39 | C38 | C43 | 1.2° | 0.1° |
| C39 | C40 | C41 | H31 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 4.1° | 0.0° |
| C39 | C40 | C41 | F44 | 166.9° | 180.0° |
| C3 | C4 | O7 | C8 | 179.3° | 164.3° |
| C4 | O7 | C8 | C9 | 1.4° | 16.1° |
| C4 | O7 | C8 | C11 | 179.9° | 164.7° |
| O7 | C4 | C3 | H18 | 5.5° | 0.7° |
| C38 | C43 | C42 | H33 | 180.0° | 179.7° |
| C38 | C43 | C42 | C41 | 0.1° | 0.0° |
| C43 | C38 | C31 | H27 | 24.2° | 150.0° |
| C43 | C38 | C31 | H28 | 96.3° | 30.0° |
| C43 | C38 | C39 | H30 | 178.7° | 179.9° |
| C38 | C43 | C42 | H32 | 179.9° | 179.9° |
| C14 | C9 | C8 | O7 | 177.6° | 179.2° |
| C14 | C9 | C8 | C11 | 1.1° | 0.0° |
| C9 | C14 | C13 | C18 | 173.8° | 179.9° |
| C9 | C14 | C13 | C12 | 1.0° | 0.6° |
| C8 | C9 | C14 | C13 | 1.9° | 0.7° |
| C9 | C8 | O7 | C11 | 178.8° | 179.2° |
| C9 | C8 | C11 | C12 | 0.7° | 0.7° |
| C9 | C8 | C11 | H19 | 179.3° | 179.6° |
| C40 | C41 | C42 | C43 | 3.2° | 0.1° |
| C40 | C41 | C42 | F44 | 171.0° | 180.0° |
| C41 | C40 | C39 | H30 | 178.2° | 179.9° |
| C40 | C41 | C42 | H32 | 176.8° | 180.0° |
| C14 | C13 | C18 | C12 | 174.8° | 179.5° |
| C14 | C13 | C18 | C17 | 167.3° | 163.7° |
| C14 | C13 | C12 | C11 | 0.9° | 0.1° |
| C14 | C13 | C12 | O15 | 177.5° | 179.5° |
| C14 | C13 | C18 | H17 | 12.7° | 16.4° |
| O7 | C8 | C11 | C12 | 179.5° | 179.9° |
| O7 | C8 | C11 | H19 | 0.6° | 1.2° |
| C8 | C11 | C12 | C13 | 1.8° | 0.8° |
| C8 | C11 | C12 | H19 | 180.0° | 178.9° |
| C8 | C11 | C12 | O15 | 176.7° | 178.9° |
| C43 | C42 | C41 | H32 | 180.0° | 179.9° |
| C43 | C42 | C41 | F44 | 167.9° | 179.9° |
| C42 | C41 | C40 | H31 | 175.9° | 180.0° |
| C41 | C42 | C43 | H33 | 179.9° | 179.8° |
| F44 | C41 | C40 | H31 | 13.1° | 0.0° |
| F44 | C41 | C42 | H32 | 12.1° | 0.0° |
| C13 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | C13 | C12 | C11 | 176.1° | 179.4° |
| C18 | C13 | C12 | O15 | 2.4° | 0.9° |
| C13 | C18 | C17 | C16 | 5.6° | 0.6° |
| C13 | C18 | C17 | H16 | 174.4° | 179.2° |
| C12 | C13 | C18 | C17 | 7.5° | 15.8° |
| C13 | C12 | C11 | O15 | 178.5° | 179.7° |
| C13 | C12 | O15 | C16 | 25.3° | 34.5° |
| C12 | C13 | C18 | H17 | 172.5° | 164.1° |
| C13 | C12 | C11 | H19 | 178.3° | 179.7° |
| C18 | C17 | C16 | H16 | 180.0° | 179.8° |
| C18 | C17 | C16 | O15 | 26.1° | 31.1° |
| C18 | C17 | C16 | C21 | 89.6° | 89.2° |
| C18 | C17 | C16 | C20 | 145.7° | 151.4° |
| C11 | C12 | O15 | C16 | 153.2° | 145.8° |
| C12 | O15 | C16 | C17 | 35.7° | 48.4° |
| C12 | O15 | C16 | C21 | 84.2° | 71.8° |
| C12 | O15 | C16 | C20 | 158.0° | 168.7° |
| O15 | C12 | C11 | H19 | 3.3° | 0.0° |
| C17 | C16 | O15 | C21 | 119.9° | 120.3° |
| C17 | C16 | O15 | C20 | 122.3° | 120.3° |
| C17 | C16 | C21 | C20 | 124.9° | 119.5° |
| C17 | C16 | C21 | H1 | 180.0° | 60.0° |
| C17 | C16 | C21 | H2 | 60.0° | 180.0° |
| C17 | C16 | C21 | H3 | 60.0° | 60.0° |
| C16 | C17 | C18 | H17 | 174.5° | 179.4° |
| C17 | C16 | C20 | H20 | 180.0° | 60.0° |
| C17 | C16 | C20 | H21 | 60.0° | 180.0° |
| C17 | C16 | C20 | H22 | 60.0° | 60.0° |
| O15 | C16 | C21 | C20 | 114.9° | 119.5° |
| O15 | C16 | C21 | H1 | 59.8° | 178.9° |
| O15 | C16 | C21 | H2 | 60.2° | 58.9° |
| O15 | C16 | C21 | H3 | 179.8° | 61.1° |
| O15 | C16 | C17 | H16 | 153.9° | 148.6° |
| O15 | C16 | C20 | H20 | 57.8° | 61.1° |
| O15 | C16 | C20 | H21 | 177.8° | 59.0° |
| O15 | C16 | C20 | H22 | 62.3° | 178.9° |
| C16 | C21 | H1 | H2 | 120.0° | 120.0° |
| C16 | C21 | H1 | H3 | 120.0° | 120.0° |
| C16 | C21 | H2 | H3 | 120.0° | 119.9° |
| C21 | C16 | C17 | H16 | 90.4° | 91.1° |
| C21 | C16 | C20 | H20 | 55.4° | 179.4° |
| C21 | C16 | C20 | H21 | 64.6° | 60.5° |
| C21 | C16 | C20 | H22 | 175.4° | 59.4° |
| C20 | C16 | C21 | H1 | 55.1° | 59.5° |
| C20 | C16 | C21 | H2 | 175.1° | 60.6° |
| C20 | C16 | C21 | H3 | 64.9° | 179.5° |
| C20 | C16 | C17 | H16 | 34.3° | 28.4° |
| C16 | C20 | H20 | H21 | 120.0° | 120.0° |
| C16 | C20 | H20 | H22 | 120.0° | 120.0° |
| C16 | C20 | H21 | H22 | 120.0° | 119.9° |
| H1 | C21 | H2 | H3 | 120.0° | 120.0° |
| H4 | C23 | H5 | H6 | 120.0° | 120.0° |
| H7 | C25 | C26 | H23 | 178.7° | 175.0° |
| H8 | C25 | C26 | H23 | 59.6° | 65.0° |
| H9 | C28 | H10 | H11 | 120.0° | 120.1° |
| H12 | C32 | C33 | H15 | 116.3° | 75.0° |
| H13 | C32 | C33 | H15 | 4.7° | 165.0° |
| H14 | C34 | C33 | H15 | 177.3° | 180.0° |
| H16 | C17 | C18 | H17 | 5.6° | 0.8° |
| H20 | C20 | H21 | H22 | 119.9° | 120.0° |
| H24 | C29 | H25 | H26 | 120.0° | 120.0° |
| H30 | C39 | C40 | H31 | 1.8° | 0.0° |
| H32 | C42 | C43 | H33 | 0.1° | 0.3° |
