AQR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C10 | doub | 1.36Å | 1.40Å | |
| C1 | C2 | sing | 1.41Å | 1.39Å | |
| C10 | C5 | sing | 1.41Å | 1.49Å | |
| C10 | C9 | sing | 1.51Å | 1.46Å | |
| C11 | C12 | sing | 1.52Å | 1.56Å | |
| C11 | C9 | sing | 1.52Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | C18 | sing | 1.51Å | 1.58Å | |
| C13 | C26 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C25 | sing | 1.52Å | 1.55Å | |
| C14 | C8 | sing | 1.52Å | 1.49Å | |
| C15 | C16 | sing | 1.52Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.52Å | 1.57Å | |
| C17 | C22 | sing | 1.52Å | 1.53Å | |
| C17 | C27 | sing | 1.55Å | 1.53Å | |
| C18 | C19 | sing | 1.52Å | 1.56Å | |
| C19 | C20 | sing | 1.52Å | 1.54Å | |
| C2 | C3 | sing | 1.41Å | 1.48Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C20 | C21 | sing | 1.52Å | 1.51Å | |
| C20 | C28 | sing | 1.50Å | 1.51Å | |
| C20 | C29 | sing | 1.56Å | 1.53Å | |
| C21 | C22 | sing | 1.52Å | 1.51Å | |
| C23 | C4 | sing | 1.51Å | 1.50Å | |
| C24 | C9 | sing | 1.54Å | 1.53Å | |
| C28 | O28 | doub | 1.21Å | 1.25Å | |
| C28 | O29 | sing | 1.34Å | 1.26Å | |
| C3 | C4 | doub | 1.36Å | 1.47Å | |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | sing | 1.41Å | 1.47Å | |
| C5 | C6 | doub | 1.40Å | 1.38Å | |
| C6 | C7 | sing | 1.40Å | 1.38Å | |
| C7 | C8 | doub | 1.34Å | 1.39Å | |
| C8 | C9 | sing | 1.50Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.11Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.10Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.10Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.14Å | 1.10Å | |
| C19 | H9 | sing | 1.10Å | 1.10Å | |
| C19 | H10 | sing | 1.11Å | 1.10Å | |
| C21 | H11 | sing | 1.10Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.10Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 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 | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| C7 | H34 | sing | 1.08Å | 1.08Å | |
| O29 | H35 | sing | 0.97Å | 0.95Å | |
| O3 | H36 | sing | 0.97Å | 0.95Å | |
| C15 | H37 | sing | 1.08Å | 1.10Å | |
| C16 | H38 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C1 | C2 | 121.1° | 120.3° |
| C1 | C10 | C5 | 120.2° | 119.9° |
| C1 | C10 | C9 | 121.1° | 118.7° |
| C10 | C1 | H1 | 119.4° | 120.3° |
| C1 | C2 | C3 | 121.9° | 119.9° |
| C1 | C2 | O2 | 119.7° | 120.0° |
| C2 | C1 | H1 | 119.4° | 119.4° |
| C5 | C10 | C9 | 118.6° | 121.4° |
| C10 | C5 | C4 | 119.6° | 119.8° |
| C10 | C5 | C6 | 122.4° | 119.3° |
| C10 | C9 | C11 | 128.4° | 109.4° |
| C10 | C9 | C24 | 81.5° | 105.4° |
| C10 | C9 | C8 | 114.7° | 111.7° |
| C12 | C11 | C9 | 114.9° | 113.7° |
| C11 | C12 | C13 | 115.7° | 111.7° |
| C12 | C11 | H2 | 108.1° | 108.0° |
| C12 | C11 | H3 | 108.1° | 110.8° |
| C11 | C12 | H4 | 107.9° | 108.2° |
| C11 | C12 | H5 | 107.9° | 110.7° |
| C11 | C9 | C24 | 83.3° | 108.2° |
| C11 | C9 | C8 | 116.0° | 112.4° |
| C9 | C11 | H2 | 108.1° | 108.0° |
| C9 | C11 | H3 | 108.1° | 110.0° |
| C12 | C13 | C14 | 103.6° | 108.0° |
| C12 | C13 | C18 | 117.5° | 110.9° |
| C12 | C13 | C26 | 107.1° | 107.4° |
| C13 | C12 | H4 | 107.9° | 108.1° |
| C13 | C12 | H5 | 107.9° | 110.6° |
| C14 | C13 | C18 | 112.9° | 110.6° |
| C14 | C13 | C26 | 111.7° | 107.3° |
| C13 | C14 | C15 | 110.1° | 108.4° |
| C13 | C14 | C25 | 115.6° | 111.8° |
| C13 | C14 | C8 | 112.3° | 106.6° |
| C18 | C13 | C26 | 104.0° | 112.4° |
| C13 | C18 | C17 | 116.2° | 116.0° |
| C13 | C18 | C19 | 108.9° | 115.1° |
| C13 | C18 | H8 | 105.9° | 104.7° |
| C13 | C26 | H24 | 109.5° | 109.4° |
| C13 | C26 | H25 | 109.4° | 109.4° |
| C13 | C26 | H26 | 109.4° | 109.5° |
| C15 | C14 | C25 | 111.4° | 109.1° |
| C15 | C14 | C8 | 104.3° | 110.0° |
| C14 | C15 | C16 | 117.7° | 110.0° |
| C14 | C15 | H6 | 107.4° | 108.0° |
| C14 | C15 | H37 | 107.4° | 111.8° |
| C25 | C14 | C8 | 102.3° | 111.0° |
| C14 | C25 | H21 | 109.5° | 109.5° |
| C14 | C25 | H22 | 109.5° | 109.5° |
| C14 | C25 | H23 | 109.5° | 109.4° |
| C14 | C8 | C7 | 115.5° | 118.4° |
| C14 | C8 | C9 | 121.9° | 119.9° |
| C15 | C16 | C17 | 116.9° | 112.9° |
| C16 | C15 | H6 | 107.4° | 108.1° |
| C15 | C16 | H7 | 107.5° | 110.8° |
| C16 | C15 | H37 | 107.4° | 110.9° |
| C15 | C16 | H38 | 107.6° | 108.4° |
| C16 | C17 | C18 | 112.3° | 113.3° |
| C16 | C17 | C22 | 103.5° | 110.7° |
| C16 | C17 | C27 | 109.9° | 105.7° |
| C17 | C16 | H7 | 107.6° | 109.7° |
| C17 | C16 | H38 | 107.6° | 108.1° |
| C18 | C17 | C22 | 117.3° | 111.6° |
| C18 | C17 | C27 | 112.5° | 107.3° |
| C17 | C18 | C19 | 112.9° | 112.3° |
| C17 | C18 | H8 | 106.0° | 104.0° |
| C22 | C17 | C27 | 100.4° | 107.7° |
| C17 | C22 | C21 | 116.1° | 109.9° |
| C17 | C22 | H13 | 107.8° | 108.4° |
| C17 | C22 | H14 | 107.8° | 111.7° |
| C17 | C27 | H27 | 109.5° | 109.5° |
| C17 | C27 | H28 | 109.5° | 109.5° |
| C17 | C27 | H29 | 109.5° | 109.5° |
| C18 | C19 | C20 | 120.3° | 117.7° |
| C19 | C18 | H8 | 106.1° | 102.8° |
| C18 | C19 | H9 | 106.7° | 108.9° |
| C18 | C19 | H10 | 106.7° | 108.2° |
| C19 | C20 | C21 | 109.5° | 114.2° |
| C19 | C20 | C28 | 112.6° | 112.7° |
| C19 | C20 | C29 | 111.1° | 106.3° |
| C20 | C19 | H9 | 106.7° | 108.2° |
| C20 | C19 | H10 | 106.7° | 108.2° |
| C3 | C2 | O2 | 118.4° | 120.1° |
| C2 | C3 | C4 | 119.1° | 120.0° |
| C2 | C3 | O3 | 120.2° | 120.2° |
| C21 | C20 | C28 | 107.0° | 110.9° |
| C21 | C20 | C29 | 109.0° | 106.1° |
| C20 | C21 | C22 | 108.2° | 112.1° |
| C20 | C21 | H11 | 109.8° | 108.0° |
| C20 | C21 | H12 | 109.8° | 110.4° |
| C28 | C20 | C29 | 107.4° | 105.9° |
| C20 | C28 | O28 | 117.4° | 120.1° |
| C20 | C28 | O29 | 119.8° | 120.0° |
| C20 | C29 | H30 | 109.5° | 109.5° |
| C20 | C29 | H31 | 109.5° | 109.5° |
| C20 | C29 | H32 | 109.5° | 109.5° |
| C22 | C21 | H11 | 109.8° | 107.9° |
| C22 | C21 | H12 | 109.8° | 111.4° |
| C21 | C22 | H13 | 107.8° | 108.3° |
| C21 | C22 | H14 | 107.8° | 111.0° |
| C23 | C4 | C3 | 121.7° | 118.9° |
| C23 | C4 | C5 | 120.3° | 121.1° |
| C4 | C23 | H15 | 109.5° | 109.4° |
| C4 | C23 | H16 | 109.4° | 109.5° |
| C4 | C23 | H17 | 109.5° | 109.5° |
| C24 | C9 | C8 | 96.9° | 109.4° |
| C9 | C24 | H18 | 109.5° | 109.5° |
| C9 | C24 | H19 | 109.4° | 109.4° |
| C9 | C24 | H20 | 109.5° | 109.5° |
| O28 | C28 | O29 | 122.8° | 120.0° |
| C28 | O29 | H35 | 109.5° | 117.0° |
| C4 | C3 | O3 | 120.6° | 119.8° |
| C3 | C4 | C5 | 118.0° | 120.0° |
| C3 | O3 | H36 | 109.5° | 114.0° |
| C4 | C5 | C6 | 118.0° | 120.9° |
| C5 | C6 | C7 | 119.5° | 120.3° |
| C5 | C6 | H33 | 120.3° | 121.4° |
| C6 | C7 | C8 | 122.3° | 122.8° |
| C7 | C6 | H33 | 120.3° | 118.3° |
| C6 | C7 | H34 | 118.9° | 118.0° |
| C7 | C8 | C9 | 122.5° | 121.7° |
| C8 | C7 | H34 | 118.8° | 119.2° |
| H2 | C11 | H3 | 109.5° | 106.1° |
| H4 | C12 | H5 | 109.5° | 107.3° |
| H6 | C15 | H37 | 109.5° | 107.9° |
| H7 | C16 | H38 | 109.5° | 106.8° |
| H9 | C19 | H10 | 109.4° | 104.8° |
| H11 | C21 | H12 | 109.5° | 106.8° |
| H13 | C22 | H14 | 109.5° | 107.4° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.4° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.4° |
| H24 | C26 | H26 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H27 | C27 | H29 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H32 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C1 | C2 | H1 | 180.0° | 179.6° |
| C1 | C10 | C5 | C9 | 179.9° | 178.2° |
| C1 | C10 | C9 | C11 | 11.8° | 38.5° |
| C10 | C1 | C2 | C3 | 0.6° | 1.3° |
| C10 | C1 | C2 | O2 | 179.9° | 178.9° |
| C1 | C10 | C9 | C24 | 86.2° | 77.6° |
| C1 | C10 | C5 | C4 | 0.2° | 4.7° |
| C1 | C10 | C5 | C6 | 179.7° | 173.0° |
| C1 | C10 | C9 | C8 | 179.9° | 163.7° |
| C2 | C1 | C10 | C5 | 0.5° | 1.9° |
| C2 | C1 | C10 | C9 | 179.6° | 176.4° |
| C1 | C2 | C3 | O2 | 179.6° | 179.8° |
| C1 | C2 | C3 | C4 | 0.3° | 1.6° |
| C1 | C2 | C3 | O3 | 179.7° | 178.5° |
| C5 | C10 | C9 | C11 | 168.4° | 143.3° |
| C10 | C5 | C4 | C23 | 179.2° | 176.6° |
| C5 | C10 | C9 | C24 | 94.0° | 100.6° |
| C10 | C5 | C4 | C3 | 0.0° | 4.3° |
| C10 | C5 | C4 | C6 | 179.9° | 177.7° |
| C10 | C5 | C6 | C7 | 0.4° | 4.6° |
| C5 | C10 | C9 | C8 | 0.3° | 18.1° |
| C5 | C10 | C1 | H1 | 179.5° | 178.5° |
| C10 | C5 | C6 | H33 | 179.6° | 175.2° |
| C10 | C9 | C11 | C12 | 179.8° | 162.8° |
| C10 | C9 | C11 | C24 | 73.5° | 114.3° |
| C10 | C9 | C11 | C8 | 168.0° | 124.8° |
| C10 | C9 | C8 | C14 | 179.2° | 164.2° |
| C10 | C9 | C24 | C8 | 114.0° | 120.3° |
| C9 | C10 | C5 | C4 | 179.9° | 173.5° |
| C9 | C10 | C5 | C6 | 0.2° | 8.8° |
| C10 | C9 | C8 | C7 | 0.6° | 15.9° |
| C9 | C10 | C1 | H1 | 0.4° | 3.3° |
| C10 | C9 | C11 | H2 | 59.4° | 77.4° |
| C10 | C9 | C11 | H3 | 59.0° | 38.0° |
| C10 | C9 | C24 | H18 | 180.0° | 67.0° |
| C10 | C9 | C24 | H19 | 60.0° | 173.1° |
| C10 | C9 | C24 | H20 | 60.0° | 53.1° |
| C12 | C11 | C9 | H2 | 120.8° | 119.8° |
| C12 | C11 | C9 | H3 | 120.8° | 124.9° |
| C11 | C12 | C13 | H4 | 120.9° | 118.9° |
| C11 | C12 | C13 | H5 | 120.9° | 123.8° |
| C11 | C12 | C13 | C14 | 61.9° | 64.2° |
| C11 | C12 | C13 | C18 | 172.8° | 174.5° |
| C11 | C12 | C13 | C26 | 56.3° | 51.2° |
| C12 | C11 | C9 | C24 | 106.6° | 82.8° |
| C12 | C11 | C9 | C8 | 12.2° | 38.1° |
| C12 | C11 | H2 | H3 | 117.5° | 118.8° |
| C11 | C12 | H4 | H5 | 117.2° | 119.5° |
| C9 | C11 | C12 | C13 | 25.7° | 52.0° |
| C11 | C9 | C8 | C14 | 11.1° | 40.7° |
| C11 | C9 | C24 | C8 | 115.5° | 122.8° |
| C11 | C9 | C8 | C7 | 170.2° | 139.4° |
| C9 | C11 | H2 | H3 | 117.5° | 117.9° |
| C9 | C11 | C12 | H4 | 146.7° | 170.9° |
| C9 | C11 | C12 | H5 | 95.2° | 71.8° |
| C11 | C9 | C24 | H18 | 49.5° | 176.1° |
| C11 | C9 | C24 | H19 | 70.5° | 56.1° |
| C11 | C9 | C24 | H20 | 169.5° | 63.9° |
| C12 | C13 | C14 | C18 | 128.2° | 121.6° |
| C12 | C13 | C14 | C26 | 114.9° | 115.5° |
| C12 | C13 | C18 | C26 | 118.1° | 120.3° |
| C12 | C13 | C14 | C15 | 177.5° | 179.2° |
| C12 | C13 | C14 | C25 | 55.1° | 60.5° |
| C12 | C13 | C14 | C8 | 61.8° | 60.9° |
| C12 | C13 | C18 | C17 | 138.7° | 169.3° |
| C12 | C13 | C18 | C19 | 92.4° | 56.6° |
| C13 | C12 | C11 | H2 | 146.5° | 171.8° |
| C13 | C12 | C11 | H3 | 95.0° | 72.5° |
| C13 | C12 | H4 | H5 | 117.2° | 119.3° |
| C12 | C13 | C18 | H8 | 21.3° | 55.4° |
| C12 | C13 | C26 | H24 | 180.0° | 54.7° |
| C12 | C13 | C26 | H25 | 60.0° | 174.6° |
| C12 | C13 | C26 | H26 | 60.0° | 65.3° |
| C14 | C13 | C18 | C26 | 121.3° | 119.9° |
| C13 | C14 | C15 | C25 | 129.7° | 121.9° |
| C13 | C14 | C15 | C8 | 120.7° | 116.2° |
| C13 | C14 | C25 | C8 | 122.3° | 118.8° |
| C13 | C14 | C15 | C16 | 42.7° | 63.2° |
| C14 | C13 | C18 | C17 | 18.1° | 49.5° |
| C14 | C13 | C18 | C19 | 147.0° | 176.4° |
| C13 | C14 | C8 | C7 | 150.6° | 127.8° |
| C13 | C14 | C8 | C9 | 28.1° | 52.3° |
| C14 | C13 | C12 | H4 | 177.2° | 176.9° |
| C14 | C13 | C12 | H5 | 59.0° | 59.7° |
| C13 | C14 | C15 | H6 | 163.9° | 179.0° |
| C14 | C13 | C18 | H8 | 99.3° | 64.4° |
| C13 | C14 | C25 | H21 | 180.0° | 54.3° |
| C13 | C14 | C25 | H22 | 60.0° | 174.4° |
| C13 | C14 | C25 | H23 | 60.0° | 65.7° |
| C14 | C13 | C26 | H24 | 67.2° | 170.5° |
| C14 | C13 | C26 | H25 | 52.8° | 69.5° |
| C14 | C13 | C26 | H26 | 172.8° | 50.5° |
| C13 | C14 | C15 | H37 | 78.5° | 60.4° |
| C18 | C13 | C14 | C15 | 54.2° | 59.2° |
| C18 | C13 | C14 | C25 | 73.2° | 61.0° |
| C18 | C13 | C14 | C8 | 170.0° | 177.6° |
| C13 | C18 | C17 | C16 | 30.5° | 41.8° |
| C13 | C18 | C17 | C19 | 126.9° | 135.3° |
| C13 | C18 | C17 | H8 | 117.3° | 114.3° |
| C13 | C18 | C17 | C22 | 150.1° | 84.0° |
| C13 | C18 | C17 | C27 | 94.2° | 158.2° |
| C13 | C18 | C19 | H8 | 113.6° | 113.2° |
| C13 | C18 | C19 | C20 | 143.7° | 95.8° |
| C18 | C13 | C12 | H4 | 51.9° | 55.5° |
| C18 | C13 | C12 | H5 | 66.3° | 61.7° |
| C13 | C18 | C19 | H9 | 22.1° | 27.8° |
| C13 | C18 | C19 | H10 | 94.8° | 141.2° |
| C18 | C13 | C26 | H24 | 54.9° | 67.6° |
| C18 | C13 | C26 | H25 | 174.9° | 52.3° |
| C18 | C13 | C26 | H26 | 65.1° | 172.3° |
| C26 | C13 | C14 | C15 | 62.6° | 63.8° |
| C26 | C13 | C14 | C25 | 170.0° | 176.0° |
| C26 | C13 | C14 | C8 | 53.2° | 54.6° |
| C26 | C13 | C18 | C17 | 103.2° | 70.4° |
| C26 | C13 | C18 | C19 | 25.7° | 63.7° |
| C26 | C13 | C12 | H4 | 64.6° | 67.7° |
| C26 | C13 | C12 | H5 | 177.2° | 175.1° |
| C26 | C13 | C18 | H8 | 139.5° | 175.7° |
| C13 | C26 | H24 | H25 | 120.0° | 119.9° |
| C13 | C26 | H24 | H26 | 120.0° | 120.0° |
| C13 | C26 | H25 | H26 | 119.9° | 120.0° |
| C15 | C14 | C25 | C8 | 110.9° | 121.4° |
| C14 | C15 | C16 | H6 | 121.2° | 117.8° |
| C14 | C15 | C16 | H37 | 121.2° | 124.1° |
| C14 | C15 | C16 | C17 | 7.3° | 56.3° |
| C15 | C14 | C8 | C7 | 31.4° | 10.5° |
| C15 | C14 | C8 | C9 | 147.4° | 169.7° |
| C14 | C15 | H6 | H37 | 116.3° | 121.0° |
| C14 | C15 | C16 | H7 | 128.3° | 67.1° |
| C15 | C14 | C25 | H21 | 53.2° | 174.2° |
| C15 | C14 | C25 | H22 | 66.8° | 65.8° |
| C15 | C14 | C25 | H23 | 173.2° | 54.2° |
| C14 | C15 | C16 | H38 | 113.8° | 176.0° |
| C25 | C14 | C15 | C16 | 87.0° | 58.7° |
| C25 | C14 | C8 | C7 | 84.8° | 110.3° |
| C25 | C14 | C8 | C9 | 96.5° | 69.6° |
| C25 | C14 | C15 | H6 | 34.2° | 59.1° |
| C14 | C25 | H21 | H22 | 120.0° | 120.0° |
| C14 | C25 | H21 | H23 | 120.0° | 120.0° |
| C14 | C25 | H22 | H23 | 120.0° | 119.9° |
| C25 | C14 | C15 | H37 | 151.8° | 177.7° |
| C8 | C14 | C15 | C16 | 163.4° | 179.4° |
| C14 | C8 | C9 | C24 | 97.0° | 79.5° |
| C14 | C8 | C7 | C6 | 179.1° | 175.9° |
| C14 | C8 | C7 | C9 | 178.8° | 179.9° |
| C8 | C14 | C15 | H6 | 75.4° | 62.8° |
| C8 | C14 | C25 | H21 | 57.7° | 64.5° |
| C8 | C14 | C25 | H22 | 177.7° | 55.6° |
| C8 | C14 | C25 | H23 | 62.3° | 175.5° |
| C14 | C8 | C7 | H34 | 0.9° | 4.4° |
| C8 | C14 | C15 | H37 | 42.2° | 55.8° |
| C15 | C16 | C17 | H7 | 121.0° | 124.1° |
| C15 | C16 | C17 | H38 | 121.1° | 119.8° |
| C15 | C16 | C17 | C18 | 44.1° | 44.6° |
| C15 | C16 | C17 | C22 | 171.5° | 81.7° |
| C15 | C16 | C17 | C27 | 82.0° | 161.8° |
| C16 | C15 | H6 | H37 | 116.3° | 120.0° |
| C15 | C16 | H7 | H38 | 116.6° | 117.8° |
| C16 | C17 | C18 | C22 | 119.7° | 125.8° |
| C16 | C17 | C18 | C27 | 124.7° | 116.3° |
| C16 | C17 | C22 | C27 | 113.6° | 115.2° |
| C16 | C17 | C18 | C19 | 96.5° | 177.2° |
| C16 | C17 | C22 | C21 | 135.0° | 171.7° |
| C17 | C16 | C15 | H6 | 113.9° | 174.1° |
| C17 | C16 | H7 | H38 | 116.6° | 116.9° |
| C16 | C17 | C18 | H8 | 147.8° | 72.5° |
| C16 | C17 | C22 | H13 | 104.0° | 53.5° |
| C16 | C17 | C22 | H14 | 14.0° | 64.6° |
| C16 | C17 | C27 | H27 | 180.0° | 60.0° |
| C16 | C17 | C27 | H28 | 60.0° | 180.0° |
| C16 | C17 | C27 | H29 | 60.0° | 60.0° |
| C17 | C16 | C15 | H37 | 128.4° | 67.8° |
| C18 | C17 | C22 | C27 | 122.2° | 117.6° |
| C17 | C18 | C19 | H8 | 115.7° | 111.1° |
| C17 | C18 | C19 | C20 | 13.0° | 39.9° |
| C18 | C17 | C22 | C21 | 10.8° | 61.0° |
| C18 | C17 | C16 | H7 | 165.2° | 79.5° |
| C17 | C18 | C19 | H9 | 108.6° | 163.5° |
| C17 | C18 | C19 | H10 | 134.5° | 83.1° |
| C18 | C17 | C22 | H13 | 131.8° | 179.2° |
| C18 | C17 | C22 | H14 | 110.2° | 62.7° |
| C18 | C17 | C27 | H27 | 54.1° | 178.7° |
| C18 | C17 | C27 | H28 | 66.0° | 58.7° |
| C18 | C17 | C27 | H29 | 174.1° | 61.3° |
| C18 | C17 | C16 | H38 | 77.0° | 164.4° |
| C22 | C17 | C18 | C19 | 23.2° | 51.3° |
| C17 | C22 | C21 | C20 | 56.2° | 57.5° |
| C17 | C22 | C21 | H13 | 120.9° | 118.2° |
| C17 | C22 | C21 | H14 | 121.0° | 124.1° |
| C22 | C17 | C16 | H7 | 67.4° | 154.1° |
| C22 | C17 | C18 | H8 | 92.6° | 161.7° |
| C17 | C22 | C21 | H11 | 176.0° | 176.3° |
| C17 | C22 | C21 | H12 | 63.6° | 66.8° |
| C17 | C22 | H13 | H14 | 117.0° | 120.9° |
| C22 | C17 | C27 | H27 | 71.4° | 58.4° |
| C22 | C17 | C27 | H28 | 168.6° | 61.6° |
| C22 | C17 | C27 | H29 | 48.6° | 178.4° |
| C22 | C17 | C16 | H38 | 50.4° | 38.1° |
| C27 | C17 | C18 | C19 | 138.9° | 66.5° |
| C27 | C17 | C22 | C21 | 111.4° | 56.6° |
| C27 | C17 | C16 | H7 | 39.1° | 37.7° |
| C27 | C17 | C18 | H8 | 23.1° | 43.9° |
| C27 | C17 | C22 | H13 | 9.6° | 61.6° |
| C27 | C17 | C22 | H14 | 127.6° | 179.8° |
| C17 | C27 | H27 | H28 | 120.0° | 120.0° |
| C17 | C27 | H27 | H29 | 120.0° | 120.0° |
| C17 | C27 | H28 | H29 | 120.0° | 120.0° |
| C27 | C17 | C16 | H38 | 156.9° | 78.3° |
| C18 | C19 | C20 | H9 | 121.5° | 123.9° |
| C18 | C19 | C20 | H10 | 121.5° | 123.0° |
| C18 | C19 | C20 | C21 | 30.7° | 37.2° |
| C18 | C19 | C20 | C28 | 88.3° | 90.6° |
| C18 | C19 | C20 | C29 | 151.1° | 153.8° |
| C18 | C19 | H9 | H10 | 115.1° | 115.7° |
| C19 | C20 | C21 | C28 | 122.4° | 128.7° |
| C19 | C20 | C21 | C29 | 121.7° | 116.8° |
| C19 | C20 | C28 | C29 | 122.6° | 115.9° |
| C19 | C20 | C21 | C22 | 64.5° | 45.4° |
| C19 | C20 | C28 | O28 | 166.8° | 22.6° |
| C19 | C20 | C28 | O29 | 13.8° | 157.4° |
| C20 | C19 | C18 | H8 | 102.7° | 151.0° |
| C20 | C19 | H9 | H10 | 115.1° | 115.3° |
| C19 | C20 | C21 | H11 | 175.7° | 164.1° |
| C19 | C20 | C21 | H12 | 55.3° | 79.5° |
| C19 | C20 | C29 | H30 | 180.0° | 60.0° |
| C19 | C20 | C29 | H31 | 60.0° | 180.0° |
| C19 | C20 | C29 | H32 | 60.0° | 60.0° |
| C2 | C3 | C4 | C23 | 179.2° | 179.7° |
| C2 | C3 | C4 | O3 | 179.9° | 179.8° |
| C2 | C3 | C4 | C5 | 0.0° | 1.1° |
| C3 | C2 | C1 | H1 | 179.5° | 178.4° |
| C2 | C3 | O3 | H36 | 0.1° | 0.0° |
| O2 | C2 | C3 | C4 | 179.8° | 178.5° |
| O2 | C2 | C3 | O3 | 0.1° | 1.3° |
| O2 | C2 | C1 | H1 | 0.1° | 1.5° |
| C21 | C20 | C28 | C29 | 117.0° | 114.7° |
| C20 | C21 | C22 | H11 | 119.8° | 118.8° |
| C20 | C21 | C22 | H12 | 119.8° | 124.4° |
| C21 | C20 | C28 | O28 | 46.4° | 152.1° |
| C21 | C20 | C28 | O29 | 134.2° | 27.9° |
| C21 | C20 | C19 | H9 | 152.2° | 161.1° |
| C21 | C20 | C19 | H10 | 90.9° | 85.8° |
| C20 | C21 | H11 | H12 | 120.6° | 118.8° |
| C20 | C21 | C22 | H13 | 177.1° | 175.8° |
| C20 | C21 | C22 | H14 | 64.8° | 66.6° |
| C21 | C20 | C29 | H30 | 59.3° | 61.9° |
| C21 | C20 | C29 | H31 | 179.3° | 58.1° |
| C21 | C20 | C29 | H32 | 60.8° | 178.1° |
| C28 | C20 | C21 | C22 | 57.9° | 83.3° |
| C20 | C28 | O28 | O29 | 179.3° | 180.0° |
| C28 | C20 | C19 | H9 | 33.2° | 33.3° |
| C28 | C20 | C19 | H10 | 150.2° | 146.4° |
| C28 | C20 | C21 | H11 | 62.0° | 35.4° |
| C28 | C20 | C21 | H12 | 177.7° | 151.8° |
| C28 | C20 | C29 | H30 | 56.4° | 179.8° |
| C28 | C20 | C29 | H31 | 63.6° | 59.8° |
| C28 | C20 | C29 | H32 | 176.4° | 60.2° |
| C20 | C28 | O29 | H35 | 179.3° | 180.0° |
| C29 | C20 | C21 | C22 | 173.8° | 162.2° |
| C29 | C20 | C28 | O28 | 70.5° | 93.3° |
| C29 | C20 | C28 | O29 | 108.8° | 86.7° |
| C29 | C20 | C19 | H9 | 87.4° | 82.3° |
| C29 | C20 | C19 | H10 | 29.6° | 30.8° |
| C29 | C20 | C21 | H11 | 53.9° | 79.1° |
| C29 | C20 | C21 | H12 | 66.4° | 37.3° |
| C20 | C29 | H30 | H31 | 120.0° | 120.0° |
| C20 | C29 | H30 | H32 | 120.0° | 120.0° |
| C20 | C29 | H31 | H32 | 120.0° | 120.0° |
| C22 | C21 | H11 | H12 | 120.6° | 119.9° |
| C21 | C22 | H13 | H14 | 117.0° | 119.9° |
| C23 | C4 | C3 | C5 | 179.2° | 179.2° |
| C23 | C4 | C3 | O3 | 0.9° | 0.5° |
| C23 | C4 | C5 | C6 | 0.9° | 5.8° |
| C4 | C23 | H15 | H16 | 120.0° | 120.0° |
| C4 | C23 | H15 | H17 | 120.0° | 120.0° |
| C4 | C23 | H16 | H17 | 120.0° | 120.0° |
| C24 | C9 | C8 | C7 | 84.3° | 100.4° |
| C24 | C9 | C11 | H2 | 14.2° | 36.9° |
| C24 | C9 | C11 | H3 | 132.6° | 152.3° |
| C9 | C24 | H18 | H19 | 120.0° | 119.9° |
| C9 | C24 | H18 | H20 | 120.0° | 120.0° |
| C9 | C24 | H19 | H20 | 120.0° | 120.0° |
| O28 | C28 | O29 | H35 | 0.0° | 0.0° |
| C3 | C4 | C5 | C6 | 179.9° | 173.4° |
| C3 | C4 | C23 | H15 | 180.0° | 0.0° |
| C3 | C4 | C23 | H16 | 60.0° | 120.0° |
| C3 | C4 | C23 | H17 | 60.0° | 120.0° |
| C4 | C3 | O3 | H36 | 179.9° | 179.8° |
| O3 | C3 | C4 | C5 | 180.0° | 178.7° |
| C4 | C5 | C6 | C7 | 179.7° | 173.1° |
| C5 | C4 | C23 | H15 | 0.9° | 179.1° |
| C5 | C4 | C23 | H16 | 119.2° | 59.2° |
| C5 | C4 | C23 | H17 | 120.9° | 60.8° |
| C4 | C5 | C6 | H33 | 0.3° | 7.2° |
| C5 | C6 | C7 | H33 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 0.1° | 7.1° |
| C5 | C6 | C7 | H34 | 179.9° | 173.1° |
| C6 | C7 | C8 | H34 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 0.4° | 4.2° |
| C8 | C7 | C6 | H33 | 179.9° | 172.7° |
| C8 | C9 | C11 | H2 | 108.6° | 157.8° |
| C8 | C9 | C11 | H3 | 133.0° | 86.8° |
| C8 | C9 | C24 | H18 | 66.0° | 53.3° |
| C8 | C9 | C24 | H19 | 174.0° | 66.7° |
| C8 | C9 | C24 | H20 | 54.0° | 173.3° |
| C9 | C8 | C7 | H34 | 179.6° | 175.5° |
| H2 | C11 | C12 | H4 | 92.5° | 69.3° |
| H2 | C11 | C12 | H5 | 25.6° | 48.0° |
| H3 | C11 | C12 | H4 | 25.9° | 46.4° |
| H3 | C11 | C12 | H5 | 144.1° | 163.8° |
| H6 | C15 | C16 | H7 | 7.1° | 50.6° |
| H6 | C15 | C16 | H38 | 125.0° | 66.2° |
| H7 | C16 | C15 | H37 | 110.5° | 168.7° |
| H8 | C18 | C19 | H9 | 135.7° | 85.4° |
| H8 | C18 | C19 | H10 | 18.8° | 28.0° |
| H11 | C21 | C22 | H13 | 63.1° | 65.5° |
| H11 | C21 | C22 | H14 | 55.0° | 52.2° |
| H12 | C21 | C22 | H13 | 57.4° | 51.4° |
| H12 | C21 | C22 | H14 | 175.4° | 169.0° |
| H15 | C23 | H16 | H17 | 120.0° | 120.1° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
| H24 | C26 | H25 | H26 | 120.0° | 120.1° |
| H27 | C27 | H28 | H29 | 120.0° | 120.0° |
| H30 | C29 | H31 | H32 | 120.0° | 120.0° |
| H33 | C6 | C7 | H34 | 0.1° | 7.1° |
| H37 | C15 | C16 | H38 | 7.3° | 51.9° |
