9KX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C2 | doub | 1.31Å | 1.34Å | |
| O | C3 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.33Å | 1.31Å | |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | doub | 1.33Å | 1.32Å | |
| C8 | C10 | sing | 1.50Å | 1.48Å | |
| C8 | C14 | sing | 1.52Å | 1.50Å | |
| C15 | C10 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.55Å | 1.49Å | |
| C10 | C11 | sing | 1.55Å | 1.48Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | C11 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| O2 | C21 | doub | 1.21Å | 1.24Å | |
| C11 | C17 | sing | 1.52Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.54Å | 1.51Å | |
| C21 | C22 | sing | 1.41Å | 1.49Å | |
| C21 | C19 | sing | 1.51Å | 1.48Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | C24 | doub | 1.34Å | 1.33Å | |
| C22 | C23 | doub | 1.36Å | 1.32Å | |
| C23 | C24 | sing | 1.46Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| O | H36 | sing | 0.97Å | 0.95Å | |
| C | H37 | sing | 1.09Å | 1.10Å | |
| C | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C2 | C3 | 122.6° | 120.6° |
| C9 | C2 | C1 | 120.2° | 120.6° |
| C2 | C9 | H8 | 120.0° | 120.0° |
| C2 | C9 | H9 | 120.0° | 120.0° |
| O | C3 | C2 | 108.9° | 109.6° |
| O | C3 | C4 | 109.0° | 109.6° |
| O | C3 | H3 | 109.4° | 109.7° |
| C3 | O | H36 | 109.5° | 114.0° |
| C3 | C2 | C1 | 117.2° | 118.8° |
| C2 | C3 | C4 | 112.7° | 108.6° |
| C2 | C3 | H3 | 108.5° | 109.7° |
| C2 | C1 | O1 | 110.1° | 109.6° |
| C2 | C1 | C | 109.7° | 108.6° |
| C2 | C1 | H2 | 108.3° | 109.8° |
| C3 | C4 | C5 | 114.6° | 108.6° |
| C4 | C3 | H3 | 108.3° | 109.6° |
| C3 | C4 | H4 | 108.2° | 109.6° |
| C3 | C4 | H5 | 108.2° | 109.7° |
| O1 | C1 | C | 111.3° | 109.6° |
| C1 | O1 | H1 | 109.5° | 114.1° |
| O1 | C1 | H2 | 109.5° | 109.6° |
| C1 | C | C5 | 110.5° | 108.6° |
| C | C1 | H2 | 107.8° | 109.6° |
| C1 | C | H37 | 109.2° | 109.7° |
| C1 | C | H38 | 109.2° | 109.6° |
| C4 | C5 | C | 121.1° | 118.8° |
| C4 | C5 | C6 | 120.3° | 120.6° |
| C5 | C4 | H4 | 108.2° | 109.6° |
| C5 | C4 | H5 | 108.2° | 109.6° |
| C | C5 | C6 | 118.6° | 120.6° |
| C5 | C | H37 | 109.2° | 109.6° |
| C5 | C | H38 | 109.2° | 109.6° |
| C5 | C6 | C7 | 123.5° | 120.0° |
| C5 | C6 | H6 | 118.2° | 120.0° |
| C6 | C7 | C8 | 121.0° | 120.0° |
| C7 | C6 | H6 | 118.3° | 120.0° |
| C6 | C7 | H7 | 119.5° | 120.0° |
| C7 | C8 | C10 | 121.1° | 122.4° |
| C7 | C8 | C14 | 122.8° | 122.4° |
| C8 | C7 | H7 | 119.5° | 120.0° |
| C10 | C8 | C14 | 116.1° | 115.2° |
| C8 | C10 | C15 | 121.1° | 116.7° |
| C8 | C10 | C11 | 110.9° | 105.5° |
| C8 | C10 | H10 | 106.5° | 110.7° |
| C8 | C14 | C13 | 113.9° | 110.5° |
| C8 | C14 | H15 | 108.4° | 109.2° |
| C8 | C14 | H16 | 108.4° | 109.3° |
| C10 | C15 | C16 | 105.2° | 102.7° |
| C15 | C10 | C11 | 104.9° | 101.2° |
| C15 | C10 | H10 | 106.0° | 111.2° |
| C10 | C15 | H17 | 110.5° | 110.7° |
| C10 | C15 | H18 | 110.5° | 110.7° |
| C15 | C16 | C17 | 105.3° | 106.4° |
| C16 | C15 | H17 | 110.5° | 110.8° |
| C16 | C15 | H18 | 110.5° | 110.8° |
| C15 | C16 | H19 | 110.5° | 110.1° |
| C15 | C16 | H20 | 110.5° | 110.1° |
| C10 | C11 | C18 | 110.1° | 109.2° |
| C10 | C11 | C17 | 100.2° | 103.2° |
| C10 | C11 | C12 | 108.7° | 107.6° |
| C11 | C10 | H10 | 106.5° | 110.9° |
| C14 | C13 | C12 | 111.1° | 111.7° |
| C14 | C13 | H13 | 109.1° | 109.1° |
| C14 | C13 | H14 | 109.0° | 108.9° |
| C13 | C14 | H15 | 108.4° | 109.4° |
| C13 | C14 | H16 | 108.3° | 109.3° |
| C18 | C11 | C17 | 110.6° | 109.2° |
| C18 | C11 | C12 | 108.8° | 108.8° |
| C11 | C18 | H22 | 109.5° | 109.5° |
| C11 | C18 | H23 | 109.5° | 109.5° |
| C11 | C18 | H24 | 109.5° | 109.4° |
| C16 | C17 | C11 | 104.7° | 105.0° |
| C16 | C17 | C19 | 115.2° | 110.4° |
| C17 | C16 | H19 | 110.5° | 110.1° |
| C17 | C16 | H20 | 110.5° | 110.1° |
| C16 | C17 | H21 | 107.1° | 110.3° |
| O2 | C21 | C22 | 123.9° | 120.0° |
| O2 | C21 | C19 | 120.3° | 120.0° |
| C17 | C11 | C12 | 118.0° | 118.4° |
| C11 | C17 | C19 | 114.7° | 110.3° |
| C11 | C17 | H21 | 107.4° | 110.3° |
| C11 | C12 | C13 | 111.1° | 107.6° |
| C11 | C12 | H11 | 109.0° | 109.9° |
| C11 | C12 | H12 | 109.1° | 109.8° |
| C13 | C12 | H11 | 109.1° | 109.8° |
| C13 | C12 | H12 | 109.1° | 109.9° |
| C12 | C13 | H13 | 109.0° | 109.0° |
| C12 | C13 | H14 | 109.0° | 109.1° |
| C22 | C21 | C19 | 115.6° | 120.0° |
| C21 | C22 | C23 | 118.3° | 120.0° |
| C21 | C22 | H29 | 120.9° | 120.0° |
| C21 | C19 | C17 | 110.6° | 109.5° |
| C21 | C19 | C20 | 109.9° | 109.5° |
| C21 | C19 | H25 | 108.7° | 109.4° |
| C17 | C19 | C20 | 111.3° | 109.5° |
| C19 | C17 | H21 | 107.2° | 110.3° |
| C17 | C19 | H25 | 108.1° | 109.5° |
| C26 | C25 | C24 | 117.4° | 120.0° |
| C26 | C25 | H32 | 121.3° | 120.0° |
| C25 | C26 | H33 | 109.5° | 109.5° |
| C25 | C26 | H34 | 109.5° | 109.5° |
| C25 | C26 | H35 | 109.5° | 109.5° |
| C25 | C24 | C23 | 120.3° | 120.0° |
| C25 | C24 | H31 | 119.9° | 120.0° |
| C24 | C25 | H32 | 121.3° | 120.0° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C23 | C22 | H29 | 120.9° | 120.0° |
| C22 | C23 | H30 | 120.1° | 120.0° |
| C24 | C23 | H30 | 120.1° | 120.0° |
| C23 | C24 | H31 | 119.8° | 120.0° |
| C20 | C19 | H25 | 108.2° | 109.4° |
| C19 | C20 | H26 | 109.5° | 109.4° |
| C19 | C20 | H27 | 109.5° | 109.5° |
| C19 | C20 | H28 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.4° | 109.8° |
| H8 | C9 | H9 | 120.0° | 120.0° |
| H11 | C12 | H12 | 109.5° | 109.8° |
| H13 | C13 | H14 | 109.5° | 109.0° |
| H15 | C14 | H16 | 109.5° | 109.2° |
| H17 | C15 | H18 | 109.5° | 110.8° |
| H19 | C16 | H20 | 109.5° | 110.1° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H26 | C20 | H27 | 109.4° | 109.4° |
| H26 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.4° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.4° |
| H33 | C26 | H35 | 109.4° | 109.5° |
| H34 | C26 | H35 | 109.5° | 109.4° |
| H37 | C | H38 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C2 | C3 | O | 8.9° | 115.5° |
| C9 | C2 | C3 | C1 | 178.5° | 180.0° |
| C9 | C2 | C3 | C4 | 130.0° | 124.7° |
| C9 | C2 | C1 | O1 | 117.0° | 5.0° |
| C9 | C2 | C1 | C | 120.1° | 124.7° |
| C9 | C2 | C1 | H2 | 2.7° | 115.4° |
| C9 | C2 | C3 | H3 | 110.1° | 5.0° |
| C2 | C9 | H8 | H9 | 180.0° | 180.0° |
| O | C3 | C2 | C4 | 121.1° | 119.8° |
| O | C3 | C2 | H3 | 119.0° | 120.5° |
| O | C3 | C2 | C1 | 169.6° | 64.4° |
| O | C3 | C4 | H3 | 118.9° | 120.5° |
| O | C3 | C4 | C5 | 153.4° | 70.3° |
| O | C3 | C4 | H4 | 32.6° | 49.4° |
| O | C3 | C4 | H5 | 85.9° | 170.0° |
| C2 | C3 | C4 | H3 | 120.1° | 119.8° |
| C3 | C2 | C1 | O1 | 64.4° | 175.0° |
| C3 | C2 | C1 | C | 58.4° | 55.3° |
| C2 | C3 | C4 | C5 | 32.4° | 49.5° |
| C3 | C2 | C1 | H2 | 175.9° | 64.6° |
| C2 | C3 | C4 | H4 | 88.4° | 169.1° |
| C2 | C3 | C4 | H5 | 153.1° | 70.3° |
| C3 | C2 | C9 | H8 | 178.5° | 0.0° |
| C3 | C2 | C9 | H9 | 1.5° | 180.0° |
| C2 | C3 | O | H36 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 48.6° | 55.3° |
| C2 | C1 | O1 | C | 121.9° | 119.1° |
| C2 | C1 | O1 | H2 | 119.0° | 120.6° |
| C2 | C1 | C | H2 | 117.7° | 120.0° |
| C2 | C1 | C | C5 | 50.9° | 49.5° |
| C2 | C1 | O1 | H1 | 180.0° | 60.9° |
| C1 | C2 | C3 | H3 | 71.4° | 175.0° |
| C1 | C2 | C9 | H8 | 0.0° | 180.0° |
| C1 | C2 | C9 | H9 | 180.0° | 0.0° |
| C2 | C1 | C | H37 | 171.1° | 70.3° |
| C2 | C1 | C | H38 | 69.2° | 169.2° |
| C3 | C4 | C5 | H4 | 120.8° | 119.7° |
| C3 | C4 | C5 | H5 | 120.8° | 119.8° |
| C3 | C4 | C5 | C | 31.8° | 55.3° |
| C3 | C4 | C5 | C6 | 149.9° | 124.7° |
| C3 | C4 | H4 | H5 | 117.7° | 120.5° |
| C4 | C3 | O | H36 | 56.7° | 179.1° |
| O1 | C1 | C | H2 | 120.1° | 120.3° |
| O1 | C1 | C | C5 | 71.2° | 169.2° |
| O1 | C1 | C | H37 | 48.9° | 49.4° |
| O1 | C1 | C | H38 | 168.6° | 71.1° |
| C1 | C | C5 | C4 | 41.1° | 55.3° |
| C1 | C | C5 | H37 | 120.2° | 119.8° |
| C1 | C | C5 | H38 | 120.2° | 119.7° |
| C1 | C | C5 | C6 | 140.6° | 124.6° |
| C | C1 | O1 | H1 | 58.1° | 180.0° |
| C1 | C | H37 | H38 | 119.5° | 120.4° |
| C4 | C5 | C | C6 | 178.3° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 174.3° |
| C5 | C4 | C3 | H3 | 87.7° | 169.2° |
| C5 | C4 | H4 | H5 | 117.7° | 120.4° |
| C4 | C5 | C6 | H6 | 179.9° | 5.7° |
| C4 | C5 | C | H37 | 161.2° | 64.5° |
| C4 | C5 | C | H38 | 79.1° | 175.0° |
| C | C5 | C6 | C7 | 178.1° | 5.7° |
| C5 | C | C1 | H2 | 168.7° | 70.5° |
| C | C5 | C4 | H4 | 88.9° | 174.9° |
| C | C5 | C4 | H5 | 152.6° | 64.5° |
| C | C5 | C6 | H6 | 1.9° | 174.3° |
| C5 | C | H37 | H38 | 119.5° | 120.4° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 164.3° | 174.8° |
| C6 | C5 | C4 | H4 | 89.3° | 5.0° |
| C6 | C5 | C4 | H5 | 29.1° | 115.5° |
| C5 | C6 | C7 | H7 | 15.7° | 5.2° |
| C6 | C5 | C | H37 | 20.5° | 115.5° |
| C6 | C5 | C | H38 | 99.2° | 4.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C10 | 178.7° | 180.0° |
| C6 | C7 | C8 | C14 | 0.8° | 0.3° |
| C7 | C8 | C10 | C14 | 178.0° | 179.7° |
| C7 | C8 | C10 | C15 | 8.5° | 10.4° |
| C7 | C8 | C10 | C11 | 132.0° | 121.9° |
| C7 | C8 | C14 | C13 | 140.5° | 129.7° |
| C8 | C7 | C6 | H6 | 15.7° | 5.2° |
| C7 | C8 | C10 | H10 | 112.5° | 118.1° |
| C7 | C8 | C14 | H15 | 98.8° | 109.9° |
| C7 | C8 | C14 | H16 | 19.9° | 9.5° |
| C8 | C10 | C15 | C11 | 126.3° | 113.9° |
| C8 | C10 | C15 | H10 | 121.2° | 128.2° |
| C8 | C10 | C15 | C16 | 156.0° | 156.2° |
| C8 | C10 | C11 | H10 | 115.5° | 119.9° |
| C10 | C8 | C14 | C13 | 41.5° | 50.5° |
| C8 | C10 | C11 | C18 | 59.3° | 51.5° |
| C8 | C10 | C11 | C17 | 175.8° | 167.6° |
| C8 | C10 | C11 | C12 | 59.9° | 66.5° |
| C10 | C8 | C7 | H7 | 1.3° | 0.0° |
| C10 | C8 | C14 | H15 | 79.2° | 69.8° |
| C10 | C8 | C14 | H16 | 162.1° | 170.8° |
| C8 | C10 | C15 | H17 | 36.7° | 37.9° |
| C8 | C10 | C15 | H18 | 84.7° | 85.4° |
| C14 | C8 | C10 | C15 | 173.5° | 169.9° |
| C14 | C8 | C10 | C11 | 50.0° | 58.4° |
| C8 | C14 | C13 | H15 | 120.7° | 120.3° |
| C8 | C14 | C13 | H16 | 120.7° | 120.3° |
| C8 | C14 | C13 | C12 | 42.9° | 48.8° |
| C14 | C8 | C7 | H7 | 179.2° | 179.7° |
| C14 | C8 | C10 | H10 | 65.5° | 61.6° |
| C8 | C14 | C13 | H13 | 163.1° | 71.8° |
| C8 | C14 | C13 | H14 | 77.4° | 169.3° |
| C8 | C14 | H15 | H16 | 118.0° | 119.5° |
| C10 | C15 | C16 | H17 | 119.3° | 118.3° |
| C10 | C15 | C16 | H18 | 119.3° | 118.3° |
| C15 | C10 | C11 | H10 | 112.1° | 118.0° |
| C15 | C10 | C11 | C18 | 73.1° | 70.6° |
| C10 | C15 | C16 | C17 | 3.5° | 24.2° |
| C15 | C10 | C11 | C17 | 43.4° | 45.5° |
| C15 | C10 | C11 | C12 | 167.8° | 171.4° |
| C10 | C15 | H17 | H18 | 122.0° | 123.3° |
| C10 | C15 | C16 | H19 | 122.8° | 143.4° |
| C10 | C15 | C16 | H20 | 115.8° | 95.1° |
| C16 | C15 | C10 | C11 | 29.8° | 42.3° |
| C15 | C16 | C17 | H19 | 119.3° | 119.2° |
| C15 | C16 | C17 | H20 | 119.3° | 119.3° |
| C15 | C16 | C17 | C11 | 23.3° | 3.9° |
| C15 | C16 | C17 | C19 | 150.2° | 122.8° |
| C16 | C15 | C10 | H10 | 82.7° | 75.5° |
| C16 | C15 | H17 | H18 | 122.0° | 123.4° |
| C15 | C16 | H19 | H20 | 121.9° | 121.6° |
| C15 | C16 | C17 | H21 | 90.6° | 115.0° |
| C10 | C11 | C18 | C17 | 109.8° | 112.2° |
| C10 | C11 | C18 | C12 | 119.1° | 117.2° |
| C10 | C11 | C17 | C16 | 41.0° | 30.2° |
| C10 | C11 | C17 | C12 | 117.7° | 118.7° |
| C10 | C11 | C12 | C13 | 63.8° | 68.1° |
| C10 | C11 | C17 | C19 | 168.2° | 149.2° |
| C10 | C11 | C12 | H11 | 175.9° | 172.4° |
| C10 | C11 | C12 | H12 | 56.4° | 51.5° |
| C11 | C10 | C15 | H17 | 89.5° | 76.1° |
| C11 | C10 | C15 | H18 | 149.1° | 160.6° |
| C10 | C11 | C17 | H21 | 72.7° | 88.7° |
| C10 | C11 | C18 | H22 | 180.0° | 65.7° |
| C10 | C11 | C18 | H23 | 60.0° | 174.3° |
| C10 | C11 | C18 | H24 | 60.0° | 54.3° |
| C14 | C13 | C12 | C11 | 54.8° | 59.2° |
| C14 | C13 | C12 | H13 | 120.2° | 120.7° |
| C14 | C13 | C12 | H14 | 120.2° | 120.4° |
| C14 | C13 | C12 | H11 | 175.0° | 178.7° |
| C14 | C13 | C12 | H12 | 65.5° | 60.4° |
| C14 | C13 | H13 | H14 | 119.3° | 118.8° |
| C13 | C14 | H15 | H16 | 118.0° | 119.5° |
| C18 | C11 | C17 | C16 | 75.2° | 85.9° |
| C18 | C11 | C17 | C12 | 126.1° | 125.2° |
| C18 | C11 | C12 | C13 | 56.1° | 50.1° |
| C18 | C11 | C17 | C19 | 52.1° | 33.1° |
| C18 | C11 | C10 | H10 | 174.8° | 171.4° |
| C18 | C11 | C12 | H11 | 64.1° | 69.4° |
| C18 | C11 | C12 | H12 | 176.3° | 169.7° |
| C18 | C11 | C17 | H21 | 171.2° | 155.2° |
| C11 | C18 | H22 | H23 | 120.0° | 120.0° |
| C11 | C18 | H22 | H24 | 120.0° | 120.0° |
| C11 | C18 | H23 | H24 | 120.0° | 119.9° |
| C16 | C17 | C11 | C19 | 127.3° | 118.9° |
| C16 | C17 | C11 | H21 | 113.6° | 118.9° |
| C16 | C17 | C11 | C12 | 158.7° | 148.9° |
| C16 | C17 | C19 | C21 | 40.5° | 58.4° |
| C16 | C17 | C19 | H21 | 119.1° | 122.2° |
| C16 | C17 | C19 | C20 | 82.0° | 178.5° |
| C17 | C16 | C15 | H17 | 115.8° | 94.1° |
| C17 | C16 | C15 | H18 | 122.8° | 142.5° |
| C17 | C16 | H19 | H20 | 121.9° | 121.5° |
| C16 | C17 | C19 | H25 | 159.4° | 61.5° |
| O2 | C21 | C22 | C19 | 175.9° | 180.0° |
| O2 | C21 | C19 | C17 | 64.9° | 30.0° |
| O2 | C21 | C22 | C23 | 37.6° | 0.0° |
| O2 | C21 | C19 | C20 | 58.3° | 90.0° |
| O2 | C21 | C19 | H25 | 176.5° | 150.1° |
| O2 | C21 | C22 | H29 | 142.4° | 180.0° |
| C17 | C11 | C12 | C13 | 176.9° | 175.6° |
| C11 | C17 | C19 | C21 | 81.2° | 174.1° |
| C11 | C17 | C19 | H21 | 119.2° | 122.2° |
| C11 | C17 | C19 | C20 | 156.3° | 65.9° |
| C17 | C11 | C10 | H10 | 68.7° | 72.5° |
| C17 | C11 | C12 | H11 | 62.9° | 56.1° |
| C17 | C11 | C12 | H12 | 56.7° | 64.8° |
| C11 | C17 | C16 | H19 | 96.0° | 115.3° |
| C11 | C17 | C16 | H20 | 142.6° | 123.2° |
| C17 | C11 | C18 | H22 | 70.2° | 46.5° |
| C17 | C11 | C18 | H23 | 169.8° | 73.5° |
| C17 | C11 | C18 | H24 | 49.8° | 166.5° |
| C11 | C17 | C19 | H25 | 37.7° | 54.1° |
| C11 | C12 | C13 | H11 | 120.2° | 119.5° |
| C11 | C12 | C13 | H12 | 120.3° | 119.6° |
| C12 | C11 | C17 | C19 | 74.0° | 92.2° |
| C12 | C11 | C10 | H10 | 55.7° | 53.4° |
| C11 | C12 | H11 | H12 | 119.3° | 120.9° |
| C11 | C12 | C13 | H13 | 175.0° | 61.5° |
| C11 | C12 | C13 | H14 | 65.4° | 179.6° |
| C12 | C11 | C17 | H21 | 45.0° | 30.0° |
| C12 | C11 | C18 | H22 | 60.9° | 177.1° |
| C12 | C11 | C18 | H23 | 59.1° | 57.1° |
| C12 | C11 | C18 | H24 | 179.1° | 62.9° |
| C13 | C12 | H11 | H12 | 119.2° | 121.0° |
| C12 | C13 | H13 | H14 | 119.2° | 119.0° |
| C12 | C13 | C14 | H15 | 77.8° | 71.5° |
| C12 | C13 | C14 | H16 | 163.5° | 169.1° |
| C22 | C21 | C19 | C17 | 119.0° | 150.0° |
| C21 | C22 | C23 | H29 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 177.6° | 180.0° |
| C22 | C21 | C19 | C20 | 117.8° | 90.0° |
| C22 | C21 | C19 | H25 | 0.4° | 30.0° |
| C21 | C22 | C23 | H30 | 2.4° | 0.0° |
| C21 | C19 | C17 | C20 | 122.5° | 120.0° |
| C21 | C19 | C17 | H25 | 118.9° | 120.0° |
| C19 | C21 | C22 | C23 | 138.3° | 180.0° |
| C21 | C19 | C20 | H25 | 118.6° | 119.9° |
| C21 | C19 | C17 | H21 | 159.6° | 63.8° |
| C21 | C19 | C20 | H26 | 180.0° | 174.7° |
| C21 | C19 | C20 | H27 | 60.0° | 54.7° |
| C21 | C19 | C20 | H28 | 60.0° | 65.3° |
| C19 | C21 | C22 | H29 | 41.7° | 0.0° |
| C17 | C19 | C20 | H25 | 118.5° | 120.1° |
| C19 | C17 | C16 | H19 | 30.9° | 3.6° |
| C19 | C17 | C16 | H20 | 90.4° | 117.9° |
| C17 | C19 | C20 | H26 | 57.2° | 65.3° |
| C17 | C19 | C20 | H27 | 177.1° | 174.7° |
| C17 | C19 | C20 | H28 | 62.9° | 54.7° |
| C26 | C25 | C24 | H32 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.0° | 180.0° |
| C26 | C25 | C24 | H31 | 0.9° | 0.0° |
| C25 | C26 | H33 | H34 | 120.0° | 120.0° |
| C25 | C26 | H33 | H35 | 120.0° | 120.1° |
| C25 | C26 | H34 | H35 | 120.0° | 120.0° |
| C25 | C24 | C23 | C22 | 168.6° | 180.0° |
| C25 | C24 | C23 | H31 | 180.0° | 180.0° |
| C25 | C24 | C23 | H30 | 11.4° | 0.0° |
| C24 | C25 | C26 | H33 | 180.0° | 180.0° |
| C24 | C25 | C26 | H34 | 60.0° | 60.0° |
| C24 | C25 | C26 | H35 | 60.0° | 60.0° |
| C22 | C23 | C24 | H30 | 180.0° | 180.0° |
| C22 | C23 | C24 | H31 | 11.4° | 0.0° |
| C24 | C23 | C22 | H29 | 2.4° | 0.0° |
| C23 | C24 | C25 | H32 | 1.0° | 0.0° |
| C20 | C19 | C17 | H21 | 37.1° | 56.2° |
| C19 | C20 | H26 | H27 | 120.0° | 120.0° |
| C19 | C20 | H26 | H28 | 120.0° | 120.0° |
| C19 | C20 | H27 | H28 | 120.0° | 120.0° |
| H1 | O1 | C1 | H2 | 61.0° | 59.7° |
| H2 | C1 | C | H37 | 71.2° | 169.7° |
| H2 | C1 | C | H38 | 48.5° | 49.2° |
| H3 | C3 | C4 | H4 | 151.5° | 71.1° |
| H3 | C3 | C4 | H5 | 33.1° | 49.5° |
| H3 | C3 | O | H36 | 61.6° | 60.5° |
| H6 | C6 | C7 | H7 | 164.3° | 174.9° |
| H10 | C10 | C15 | H17 | 157.9° | 166.1° |
| H10 | C10 | C15 | H18 | 36.6° | 42.8° |
| H11 | C12 | C13 | H13 | 64.8° | 58.0° |
| H11 | C12 | C13 | H14 | 54.8° | 60.9° |
| H12 | C12 | C13 | H13 | 54.8° | 179.0° |
| H12 | C12 | C13 | H14 | 174.3° | 60.0° |
| H13 | C13 | C14 | H15 | 42.4° | 167.9° |
| H13 | C13 | C14 | H16 | 76.3° | 48.5° |
| H14 | C13 | C14 | H15 | 162.0° | 49.0° |
| H14 | C13 | C14 | H16 | 43.3° | 70.4° |
| H17 | C15 | C16 | H19 | 3.5° | 25.1° |
| H17 | C15 | C16 | H20 | 124.8° | 146.6° |
| H18 | C15 | C16 | H19 | 117.9° | 98.3° |
| H18 | C15 | C16 | H20 | 3.4° | 23.2° |
| H19 | C16 | C17 | H21 | 150.1° | 125.9° |
| H20 | C16 | C17 | H21 | 28.8° | 4.4° |
| H21 | C17 | C19 | H25 | 81.5° | 176.3° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
| H25 | C19 | C20 | H26 | 61.4° | 54.7° |
| H25 | C19 | C20 | H27 | 58.6° | 65.2° |
| H25 | C19 | C20 | H28 | 178.6° | 174.7° |
| H26 | C20 | H27 | H28 | 120.0° | 120.0° |
| H29 | C22 | C23 | H30 | 177.6° | 180.0° |
| H30 | C23 | C24 | H31 | 168.6° | 180.0° |
| H31 | C24 | C25 | H32 | 179.1° | 180.0° |
| H32 | C25 | C26 | H33 | 0.0° | 0.0° |
| H32 | C25 | C26 | H34 | 120.0° | 120.0° |
| H32 | C25 | C26 | H35 | 120.0° | 120.0° |
| H33 | C26 | H34 | H35 | 120.0° | 119.9° |
