2QI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.54Å | |
| O1 | C3 | doub | 1.21Å | 1.25Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.54Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C4 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | doub | 1.33Å | 1.35Å | |
| C12 | C4 | sing | 1.52Å | 1.54Å | |
| C12 | C7 | sing | 1.55Å | 1.54Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | O | sing | 1.34Å | 1.25Å | |
| C17 | C16 | sing | 1.52Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C21 | C16 | sing | 1.48Å | 1.47Å | |
| C21 | C20 | sing | 1.52Å | 1.53Å | |
| C4 | C5 | sing | 1.57Å | 1.56Å | |
| O3 | C20 | sing | 1.43Å | 1.45Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.52Å | 1.53Å | |
| C16 | C15 | doub | 1.35Å | 1.36Å | |
| C15 | C14 | sing | 1.46Å | 1.45Å | |
| C18 | O2 | sing | 1.43Å | 1.41Å | |
| C8 | C14 | doub | 1.33Å | 1.35Å | |
| C8 | C7 | sing | 1.50Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| O | H16 | sing | 0.97Å | 0.95Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C22 | H33 | sing | 1.08Å | 1.08Å | |
| O2 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 107.3° | 109.5° |
| C | C1 | C4 | 116.5° | 109.5° |
| C | C1 | H4 | 108.4° | 109.4° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| O1 | C3 | C2 | 120.1° | 120.1° |
| O1 | C3 | O | 122.8° | 120.0° |
| C13 | C12 | C11 | 110.4° | 109.3° |
| C13 | C12 | C4 | 111.8° | 109.3° |
| C13 | C12 | C7 | 112.8° | 107.8° |
| C12 | C13 | H21 | 109.5° | 109.4° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C12 | C13 | H23 | 109.5° | 109.5° |
| C11 | C10 | C9 | 110.5° | 111.8° |
| C10 | C11 | C12 | 113.1° | 108.1° |
| C11 | C10 | H17 | 109.2° | 109.0° |
| C11 | C10 | H18 | 109.2° | 109.0° |
| C10 | C11 | H19 | 108.6° | 109.9° |
| C10 | C11 | H20 | 108.6° | 109.8° |
| C10 | C9 | C8 | 107.2° | 110.7° |
| C10 | C9 | H2 | 110.0° | 109.3° |
| C10 | C9 | H3 | 110.0° | 109.2° |
| C9 | C10 | H17 | 109.2° | 109.2° |
| C9 | C10 | H18 | 109.2° | 108.8° |
| C11 | C12 | C4 | 114.9° | 118.4° |
| C11 | C12 | C7 | 106.2° | 107.7° |
| C12 | C11 | H19 | 108.5° | 109.3° |
| C12 | C11 | H20 | 108.5° | 109.8° |
| C2 | C1 | C4 | 108.0° | 109.5° |
| C1 | C2 | C3 | 114.0° | 109.5° |
| C2 | C1 | H4 | 108.2° | 109.5° |
| C1 | C2 | H11 | 108.4° | 109.5° |
| C1 | C2 | H12 | 108.3° | 109.4° |
| C1 | C4 | C12 | 122.5° | 110.8° |
| C1 | C4 | C5 | 110.8° | 110.3° |
| C4 | C1 | H4 | 108.2° | 109.4° |
| C1 | C4 | H9 | 106.8° | 110.3° |
| C22 | C21 | C16 | 121.7° | 121.6° |
| C22 | C21 | C20 | 122.3° | 121.8° |
| C21 | C22 | H32 | 120.0° | 119.9° |
| C21 | C22 | H33 | 120.0° | 120.0° |
| C4 | C12 | C7 | 100.3° | 103.8° |
| C12 | C4 | C5 | 102.1° | 104.2° |
| C12 | C4 | H9 | 106.9° | 110.7° |
| C12 | C7 | C8 | 107.6° | 106.0° |
| C12 | C7 | C6 | 103.8° | 101.3° |
| C12 | C7 | H1 | 108.5° | 110.9° |
| C2 | C3 | O | 117.1° | 120.0° |
| C3 | C2 | H11 | 108.3° | 109.5° |
| C3 | C2 | H12 | 108.3° | 109.5° |
| C3 | O | H16 | 109.5° | 117.0° |
| C16 | C17 | C18 | 111.2° | 108.3° |
| C17 | C16 | C21 | 117.4° | 116.8° |
| C17 | C16 | C15 | 117.1° | 121.6° |
| C16 | C17 | H26 | 109.1° | 109.7° |
| C16 | C17 | H27 | 109.0° | 109.7° |
| C17 | C18 | C19 | 110.7° | 109.8° |
| C17 | C18 | O2 | 109.1° | 109.4° |
| C18 | C17 | H26 | 109.0° | 109.7° |
| C18 | C17 | H27 | 109.0° | 109.7° |
| C17 | C18 | H28 | 108.2° | 109.4° |
| C16 | C21 | C20 | 116.0° | 116.6° |
| C21 | C16 | C15 | 125.4° | 121.6° |
| C21 | C20 | O3 | 110.4° | 109.9° |
| C21 | C20 | C19 | 108.5° | 108.3° |
| C21 | C20 | H31 | 110.5° | 109.7° |
| C4 | C5 | C6 | 108.8° | 106.5° |
| C4 | C5 | H5 | 109.6° | 110.0° |
| C4 | C5 | H6 | 109.6° | 110.1° |
| C5 | C4 | H9 | 106.8° | 110.3° |
| O3 | C20 | C19 | 105.1° | 109.7° |
| C20 | O3 | H10 | 109.5° | 114.0° |
| O3 | C20 | H31 | 111.7° | 109.7° |
| C20 | C19 | C18 | 108.2° | 109.8° |
| C20 | C19 | H29 | 109.8° | 109.4° |
| C20 | C19 | H30 | 109.8° | 109.4° |
| C19 | C20 | H31 | 110.5° | 109.7° |
| C19 | C18 | O2 | 110.8° | 109.4° |
| C19 | C18 | H28 | 108.3° | 109.4° |
| C18 | C19 | H29 | 109.8° | 109.2° |
| C18 | C19 | H30 | 109.8° | 109.6° |
| C9 | C8 | C14 | 126.3° | 122.4° |
| C9 | C8 | C7 | 109.7° | 115.2° |
| C8 | C9 | H2 | 110.0° | 109.2° |
| C8 | C9 | H3 | 110.0° | 109.2° |
| C16 | C15 | C14 | 125.3° | 120.0° |
| C16 | C15 | H25 | 117.3° | 120.0° |
| C15 | C14 | C8 | 125.9° | 120.0° |
| C15 | C14 | H24 | 117.1° | 120.0° |
| C14 | C15 | H25 | 117.4° | 120.0° |
| O2 | C18 | H28 | 109.8° | 109.4° |
| C18 | O2 | H34 | 109.5° | 114.0° |
| C14 | C8 | C7 | 123.9° | 122.4° |
| C8 | C14 | H24 | 117.0° | 120.0° |
| C8 | C7 | C6 | 119.1° | 116.7° |
| C8 | C7 | H1 | 108.7° | 110.7° |
| C7 | C6 | C5 | 101.2° | 102.7° |
| C6 | C7 | H1 | 108.6° | 110.7° |
| C7 | C6 | H7 | 111.5° | 110.7° |
| C7 | C6 | H8 | 111.5° | 110.8° |
| C6 | C5 | H5 | 109.6° | 110.1° |
| C6 | C5 | H6 | 109.6° | 110.1° |
| C5 | C6 | H7 | 111.5° | 110.8° |
| C5 | C6 | H8 | 111.5° | 110.7° |
| H2 | C9 | H3 | 109.4° | 109.3° |
| H5 | C5 | H6 | 109.5° | 110.1° |
| H7 | C6 | H8 | 109.4° | 110.9° |
| H11 | C2 | H12 | 109.4° | 109.5° |
| H13 | C | H14 | 109.5° | 109.4° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.0° |
| H19 | C11 | H20 | 109.5° | 109.9° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| H21 | C13 | H23 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.4° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.7° |
| H29 | C19 | H30 | 109.5° | 109.3° |
| H32 | C22 | H33 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C4 | 126.4° | 120.0° |
| C | C1 | C2 | H4 | 116.7° | 120.0° |
| C | C1 | C4 | H4 | 122.4° | 120.0° |
| C | C1 | C4 | C12 | 44.7° | 63.6° |
| C | C1 | C2 | C3 | 99.6° | 65.0° |
| C | C1 | C4 | C5 | 165.2° | 178.5° |
| C | C1 | C4 | H9 | 78.8° | 59.4° |
| C | C1 | C2 | H11 | 139.7° | 175.0° |
| C | C1 | C2 | H12 | 21.1° | 55.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| O1 | C3 | C2 | C1 | 43.3° | 0.0° |
| O1 | C3 | C2 | O | 179.6° | 180.0° |
| O1 | C3 | C2 | H11 | 164.0° | 120.0° |
| O1 | C3 | C2 | H12 | 77.4° | 120.0° |
| O1 | C3 | O | H16 | 0.0° | 0.0° |
| C13 | C12 | C11 | C10 | 65.4° | 49.7° |
| C13 | C12 | C11 | C4 | 127.5° | 125.9° |
| C13 | C12 | C11 | C7 | 122.6° | 116.9° |
| C13 | C12 | C4 | C1 | 43.8° | 34.0° |
| C13 | C12 | C4 | C7 | 119.8° | 114.8° |
| C13 | C12 | C4 | C5 | 80.7° | 84.7° |
| C13 | C12 | C7 | C8 | 57.7° | 52.3° |
| C13 | C12 | C7 | C6 | 69.5° | 70.0° |
| C13 | C12 | C7 | H1 | 175.2° | 172.4° |
| C13 | C12 | C4 | H9 | 167.3° | 156.7° |
| C13 | C12 | C11 | H19 | 174.0° | 169.3° |
| C13 | C12 | C11 | H20 | 55.1° | 70.1° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| C12 | C13 | H21 | H23 | 120.0° | 120.0° |
| C12 | C13 | H22 | H23 | 120.0° | 120.1° |
| C11 | C10 | C9 | H17 | 120.2° | 120.7° |
| C11 | C10 | C9 | H18 | 120.1° | 120.5° |
| C10 | C11 | C12 | H19 | 120.6° | 119.6° |
| C10 | C11 | C12 | H20 | 120.5° | 119.8° |
| C10 | C11 | C12 | C4 | 167.0° | 175.6° |
| C10 | C11 | C12 | C7 | 57.2° | 67.2° |
| C11 | C10 | C9 | C8 | 54.8° | 48.6° |
| C11 | C10 | C9 | H2 | 174.5° | 71.7° |
| C11 | C10 | C9 | H3 | 64.8° | 168.9° |
| C11 | C10 | H17 | H18 | 119.5° | 118.9° |
| C10 | C11 | H19 | H20 | 118.3° | 120.9° |
| C9 | C10 | C11 | C12 | 54.3° | 58.8° |
| C10 | C9 | C8 | H2 | 119.7° | 120.4° |
| C10 | C9 | C8 | H3 | 119.6° | 120.2° |
| C10 | C9 | C8 | C14 | 111.2° | 129.8° |
| C10 | C9 | C8 | C7 | 63.9° | 50.3° |
| C10 | C9 | H2 | H3 | 121.0° | 119.4° |
| C9 | C10 | H17 | H18 | 119.5° | 118.7° |
| C9 | C10 | C11 | H19 | 66.3° | 60.4° |
| C9 | C10 | C11 | H20 | 174.8° | 178.6° |
| C11 | C12 | C4 | C1 | 83.1° | 91.8° |
| C11 | C12 | C4 | C7 | 113.3° | 119.3° |
| C11 | C12 | C4 | C5 | 152.4° | 149.5° |
| C11 | C12 | C7 | C8 | 63.3° | 65.6° |
| C11 | C12 | C7 | C6 | 169.5° | 172.1° |
| C11 | C12 | C7 | H1 | 54.1° | 54.6° |
| C11 | C12 | C4 | H9 | 40.4° | 30.9° |
| C12 | C11 | C10 | H17 | 65.9° | 179.6° |
| C12 | C11 | C10 | H18 | 174.4° | 61.5° |
| C12 | C11 | H19 | H20 | 118.3° | 120.6° |
| C11 | C12 | C13 | H21 | 180.0° | 59.3° |
| C11 | C12 | C13 | H22 | 60.0° | 179.3° |
| C11 | C12 | C13 | H23 | 60.0° | 60.7° |
| C2 | C1 | C4 | H4 | 116.9° | 120.0° |
| C2 | C1 | C4 | C12 | 165.5° | 176.4° |
| C1 | C2 | C3 | H11 | 120.7° | 120.0° |
| C1 | C2 | C3 | H12 | 120.7° | 120.0° |
| C1 | C2 | C3 | O | 137.1° | 180.0° |
| C2 | C1 | C4 | C5 | 74.0° | 61.4° |
| C2 | C1 | C4 | H9 | 41.9° | 60.7° |
| C1 | C2 | H11 | H12 | 118.0° | 119.9° |
| C2 | C1 | C | H13 | 180.0° | 60.1° |
| C2 | C1 | C | H14 | 60.0° | 180.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C1 | C4 | C12 | C5 | 124.5° | 118.7° |
| C1 | C4 | C12 | H9 | 123.5° | 122.7° |
| C1 | C4 | C12 | C7 | 163.6° | 148.9° |
| C4 | C1 | C2 | C3 | 134.0° | 175.0° |
| C1 | C4 | C5 | H9 | 116.0° | 122.1° |
| C1 | C4 | C5 | C6 | 148.4° | 122.9° |
| C1 | C4 | C5 | H5 | 91.7° | 3.6° |
| C1 | C4 | C5 | H6 | 28.5° | 117.8° |
| C4 | C1 | C2 | H11 | 13.3° | 54.9° |
| C4 | C1 | C2 | H12 | 105.3° | 65.0° |
| C4 | C1 | C | H13 | 58.9° | 60.0° |
| C4 | C1 | C | H14 | 178.8° | 59.9° |
| C4 | C1 | C | H15 | 61.2° | 180.0° |
| C22 | C21 | C16 | C17 | 139.2° | 136.6° |
| C22 | C21 | C16 | C20 | 179.8° | 179.9° |
| C22 | C21 | C20 | O3 | 14.8° | 107.0° |
| C22 | C21 | C20 | C19 | 129.4° | 133.2° |
| C22 | C21 | C16 | C15 | 37.4° | 43.1° |
| C22 | C21 | C20 | H31 | 109.4° | 13.6° |
| C21 | C22 | H32 | H33 | 180.0° | 180.0° |
| C12 | C4 | C5 | H9 | 112.1° | 118.9° |
| C4 | C12 | C7 | C8 | 176.8° | 168.1° |
| C4 | C12 | C7 | C6 | 49.6° | 45.8° |
| C12 | C4 | C5 | C6 | 16.4° | 3.8° |
| C4 | C12 | C7 | H1 | 65.7° | 71.7° |
| C12 | C4 | C1 | H4 | 77.7° | 56.4° |
| C12 | C4 | C5 | H5 | 136.3° | 115.4° |
| C12 | C4 | C5 | H6 | 103.5° | 123.2° |
| C4 | C12 | C11 | H19 | 46.5° | 64.9° |
| C4 | C12 | C11 | H20 | 72.4° | 55.8° |
| C4 | C12 | C13 | H21 | 50.8° | 169.8° |
| C4 | C12 | C13 | H22 | 69.3° | 49.8° |
| C4 | C12 | C13 | H23 | 170.8° | 70.3° |
| C7 | C12 | C4 | C5 | 39.1° | 30.2° |
| C12 | C7 | C8 | C9 | 69.9° | 57.8° |
| C12 | C7 | C8 | C14 | 105.3° | 122.2° |
| C12 | C7 | C8 | C6 | 117.7° | 111.8° |
| C12 | C7 | C8 | H1 | 117.3° | 120.3° |
| C12 | C7 | C6 | H1 | 115.3° | 117.6° |
| C12 | C7 | C6 | C5 | 38.5° | 42.3° |
| C12 | C7 | C6 | H7 | 80.2° | 76.0° |
| C12 | C7 | C6 | H8 | 157.1° | 160.5° |
| C7 | C12 | C4 | H9 | 72.9° | 88.4° |
| C7 | C12 | C11 | H19 | 63.4° | 52.4° |
| C7 | C12 | C11 | H20 | 177.7° | 173.1° |
| C7 | C12 | C13 | H21 | 61.4° | 57.5° |
| C7 | C12 | C13 | H22 | 178.6° | 62.4° |
| C7 | C12 | C13 | H23 | 58.6° | 177.5° |
| C3 | C2 | C1 | H4 | 17.1° | 55.0° |
| C3 | C2 | H11 | H12 | 117.9° | 120.1° |
| C2 | C3 | O | H16 | 179.6° | 180.0° |
| O | C3 | C2 | H11 | 16.4° | 60.0° |
| O | C3 | C2 | H12 | 102.2° | 60.0° |
| C16 | C17 | C18 | H26 | 120.3° | 119.7° |
| C16 | C17 | C18 | H27 | 120.3° | 119.7° |
| C17 | C16 | C21 | C15 | 176.6° | 179.7° |
| C17 | C16 | C21 | C20 | 40.6° | 43.5° |
| C16 | C17 | C18 | C19 | 52.0° | 57.7° |
| C17 | C16 | C15 | C14 | 175.9° | 180.0° |
| C16 | C17 | C18 | O2 | 70.1° | 177.8° |
| C17 | C16 | C15 | H25 | 4.1° | 0.0° |
| C16 | C17 | H26 | H27 | 119.2° | 120.5° |
| C16 | C17 | C18 | H28 | 170.5° | 62.4° |
| C18 | C17 | C16 | C21 | 40.1° | 46.9° |
| C17 | C18 | C19 | C20 | 64.6° | 66.2° |
| C17 | C18 | C19 | O2 | 121.1° | 120.1° |
| C17 | C18 | C19 | H28 | 118.4° | 120.1° |
| C18 | C17 | C16 | C15 | 143.0° | 133.4° |
| C17 | C18 | O2 | H28 | 118.4° | 119.8° |
| C18 | C17 | H26 | H27 | 119.2° | 120.6° |
| C17 | C18 | C19 | H29 | 175.6° | 173.7° |
| C17 | C18 | C19 | H30 | 55.2° | 54.0° |
| C17 | C18 | O2 | H34 | 180.0° | 60.0° |
| C16 | C21 | C20 | O3 | 165.1° | 72.8° |
| C16 | C21 | C20 | C19 | 50.4° | 46.9° |
| C21 | C16 | C15 | C14 | 7.5° | 0.3° |
| C21 | C16 | C15 | H25 | 172.5° | 179.7° |
| C21 | C16 | C17 | H26 | 80.2° | 166.6° |
| C21 | C16 | C17 | H27 | 160.4° | 72.9° |
| C16 | C21 | C20 | H31 | 70.8° | 166.6° |
| C16 | C21 | C22 | H32 | 179.8° | 0.0° |
| C16 | C21 | C22 | H33 | 0.2° | 180.0° |
| C21 | C20 | O3 | C19 | 116.7° | 118.9° |
| C21 | C20 | O3 | H31 | 123.5° | 120.6° |
| C21 | C20 | C19 | H31 | 121.3° | 119.7° |
| C21 | C20 | C19 | C18 | 61.6° | 57.8° |
| C20 | C21 | C16 | C15 | 142.8° | 136.8° |
| C21 | C20 | O3 | H10 | 180.0° | 61.1° |
| C21 | C20 | C19 | H29 | 178.6° | 177.8° |
| C21 | C20 | C19 | H30 | 58.2° | 62.5° |
| C20 | C21 | C22 | H32 | 0.0° | 179.9° |
| C20 | C21 | C22 | H33 | 180.0° | 0.1° |
| C4 | C5 | C6 | C7 | 13.2° | 24.2° |
| C4 | C5 | C6 | H5 | 119.9° | 119.2° |
| C4 | C5 | C6 | H6 | 119.9° | 119.3° |
| C5 | C4 | C1 | H4 | 42.9° | 58.6° |
| C4 | C5 | H5 | H6 | 120.3° | 121.4° |
| C4 | C5 | C6 | H7 | 105.4° | 94.0° |
| C4 | C5 | C6 | H8 | 131.9° | 142.5° |
| O3 | C20 | C19 | H31 | 120.7° | 120.5° |
| O3 | C20 | C19 | C18 | 179.7° | 62.0° |
| O3 | C20 | C19 | H29 | 60.5° | 57.9° |
| O3 | C20 | C19 | H30 | 59.9° | 177.6° |
| C20 | C19 | C18 | H29 | 119.8° | 120.0° |
| C20 | C19 | C18 | H30 | 119.8° | 120.2° |
| C20 | C19 | C18 | O2 | 56.5° | 173.7° |
| C19 | C20 | O3 | H10 | 63.3° | 180.0° |
| C20 | C19 | C18 | H28 | 177.0° | 53.9° |
| C20 | C19 | H29 | H30 | 120.6° | 119.8° |
| C19 | C18 | O2 | H28 | 119.6° | 119.8° |
| C19 | C18 | C17 | H26 | 68.3° | 177.4° |
| C19 | C18 | C17 | H27 | 172.3° | 62.0° |
| C18 | C19 | H29 | H30 | 120.6° | 119.9° |
| C18 | C19 | C20 | H31 | 59.6° | 177.5° |
| C19 | C18 | O2 | H34 | 58.0° | 179.6° |
| C9 | C8 | C14 | C15 | 3.7° | 0.0° |
| C9 | C8 | C14 | C7 | 174.4° | 180.0° |
| C9 | C8 | C7 | C6 | 172.4° | 169.7° |
| C9 | C8 | C7 | H1 | 47.4° | 62.5° |
| C8 | C9 | H2 | H3 | 121.0° | 119.4° |
| C8 | C9 | C10 | H17 | 65.3° | 169.4° |
| C8 | C9 | C10 | H18 | 175.0° | 71.8° |
| C9 | C8 | C14 | H24 | 176.3° | 179.9° |
| C16 | C15 | C14 | H25 | 180.0° | 180.0° |
| C16 | C15 | C14 | C8 | 162.1° | 180.0° |
| C16 | C15 | C14 | H24 | 17.9° | 0.0° |
| C15 | C16 | C17 | H26 | 96.7° | 13.6° |
| C15 | C16 | C17 | H27 | 22.7° | 106.9° |
| C15 | C14 | C8 | H24 | 180.0° | 180.0° |
| C15 | C14 | C8 | C7 | 178.1° | 180.0° |
| O2 | C18 | C17 | H26 | 169.7° | 62.5° |
| O2 | C18 | C17 | H27 | 50.2° | 58.1° |
| O2 | C18 | C19 | H29 | 63.3° | 53.7° |
| O2 | C18 | C19 | H30 | 176.3° | 66.1° |
| C14 | C8 | C7 | C6 | 12.4° | 10.4° |
| C14 | C8 | C7 | H1 | 137.4° | 117.5° |
| C14 | C8 | C9 | H2 | 8.5° | 109.9° |
| C14 | C8 | C9 | H3 | 129.2° | 9.6° |
| C8 | C14 | C15 | H25 | 17.9° | 0.0° |
| C8 | C7 | C6 | H1 | 125.1° | 127.8° |
| C8 | C7 | C6 | C5 | 158.1° | 156.8° |
| C7 | C8 | C9 | H2 | 176.4° | 70.1° |
| C7 | C8 | C9 | H3 | 55.7° | 170.5° |
| C8 | C7 | C6 | H7 | 39.5° | 38.5° |
| C8 | C7 | C6 | H8 | 83.2° | 84.9° |
| C7 | C8 | C14 | H24 | 1.9° | 0.0° |
| C7 | C6 | C5 | H7 | 118.7° | 118.3° |
| C7 | C6 | C5 | H8 | 118.7° | 118.3° |
| C7 | C6 | C5 | H5 | 106.6° | 143.4° |
| C7 | C6 | C5 | H6 | 133.1° | 95.1° |
| C7 | C6 | H7 | H8 | 123.9° | 123.4° |
| C5 | C6 | C7 | H1 | 76.8° | 75.4° |
| C6 | C5 | H5 | H6 | 120.3° | 121.5° |
| C5 | C6 | H7 | H8 | 123.8° | 123.3° |
| C6 | C5 | C4 | H9 | 95.7° | 115.0° |
| H1 | C7 | C6 | H7 | 164.6° | 166.3° |
| H1 | C7 | C6 | H8 | 41.9° | 42.9° |
| H2 | C9 | C10 | H17 | 54.3° | 49.0° |
| H2 | C9 | C10 | H18 | 65.3° | 167.8° |
| H3 | C9 | C10 | H17 | 175.0° | 70.4° |
| H3 | C9 | C10 | H18 | 55.3° | 48.4° |
| H4 | C1 | C4 | H9 | 158.8° | 179.3° |
| H4 | C1 | C2 | H11 | 103.6° | 65.0° |
| H4 | C1 | C2 | H12 | 137.8° | 175.0° |
| H4 | C1 | C | H13 | 63.4° | 180.0° |
| H4 | C1 | C | H14 | 56.6° | 60.0° |
| H4 | C1 | C | H15 | 176.6° | 60.0° |
| H5 | C5 | C6 | H7 | 134.7° | 25.1° |
| H5 | C5 | C6 | H8 | 12.0° | 98.3° |
| H5 | C5 | C4 | H9 | 24.2° | 125.7° |
| H6 | C5 | C6 | H7 | 14.5° | 146.6° |
| H6 | C5 | C6 | H8 | 108.2° | 23.2° |
| H6 | C5 | C4 | H9 | 144.4° | 4.3° |
| H10 | O3 | C20 | H31 | 56.5° | 59.5° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
| H17 | C10 | C11 | H19 | 173.5° | 60.4° |
| H17 | C10 | C11 | H20 | 54.6° | 60.6° |
| H18 | C10 | C11 | H19 | 53.9° | 179.3° |
| H18 | C10 | C11 | H20 | 65.1° | 58.3° |
| H21 | C13 | H22 | H23 | 120.0° | 120.0° |
| H24 | C14 | C15 | H25 | 162.1° | 179.9° |
| H26 | C17 | C18 | H28 | 50.2° | 57.3° |
| H27 | C17 | C18 | H28 | 69.2° | 177.9° |
| H28 | C18 | C19 | H29 | 57.2° | 66.2° |
| H28 | C18 | C19 | H30 | 63.2° | 174.1° |
| H28 | C18 | O2 | H34 | 61.6° | 59.8° |
| H29 | C19 | C20 | H31 | 60.2° | 62.6° |
| H30 | C19 | C20 | H31 | 179.4° | 57.2° |
