A1IK0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | O3 | sing | 1.43Å | 1.44Å | |
| O4 | C16 | sing | 1.43Å | 1.42Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C18 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.31Å | 1.32Å | |
| C21 | I1 | sing | 2.09Å | 2.09Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.55Å | 1.54Å | |
| C11 | C12 | sing | 1.56Å | 1.53Å | |
| C10 | C9 | sing | 1.56Å | 1.53Å | |
| C13 | C8 | sing | 1.55Å | 1.54Å | |
| C13 | C12 | sing | 1.56Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.56Å | 1.53Å | |
| C12 | O5 | sing | 1.47Å | 1.44Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | doub | 1.31Å | 1.32Å | |
| C9 | O5 | sing | 1.47Å | 1.44Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| O1 | H19 | sing | 0.97Å | 0.95Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | O3 | 106.2° | 109.5° |
| C17 | C16 | O4 | 111.1° | 109.5° |
| C17 | C16 | C15 | 107.4° | 109.5° |
| C17 | C16 | H22 | 108.7° | 109.4° |
| C16 | C17 | H23 | 110.2° | 109.4° |
| C16 | C17 | H24 | 110.3° | 109.5° |
| C17 | O3 | C18 | 119.2° | 117.0° |
| O3 | C17 | H23 | 110.3° | 109.5° |
| O3 | C17 | H24 | 110.3° | 109.5° |
| O4 | C16 | C15 | 110.7° | 109.5° |
| O4 | C16 | H22 | 110.0° | 109.5° |
| C16 | O4 | H29 | 109.5° | 114.0° |
| C16 | C15 | C14 | 128.1° | 120.0° |
| C16 | C15 | H21 | 116.0° | 120.0° |
| C15 | C16 | H22 | 108.8° | 109.5° |
| C22 | C23 | C18 | 119.9° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H27 | 120.1° | 120.0° |
| C22 | C23 | H28 | 120.1° | 120.0° |
| C23 | C18 | O3 | 123.8° | 120.0° |
| C23 | C18 | C19 | 119.9° | 119.9° |
| C18 | C23 | H28 | 120.1° | 120.0° |
| C22 | C21 | I1 | 119.7° | 119.9° |
| C22 | C21 | C20 | 120.6° | 120.1° |
| C21 | C22 | H27 | 120.1° | 120.0° |
| O3 | C18 | C19 | 116.3° | 120.1° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C18 | C19 | H25 | 119.9° | 120.1° |
| C15 | C14 | C13 | 124.3° | 120.0° |
| C15 | C14 | H20 | 117.8° | 120.0° |
| C14 | C15 | H21 | 115.9° | 120.0° |
| I1 | C21 | C20 | 119.7° | 120.0° |
| C21 | C20 | C19 | 119.7° | 120.0° |
| C21 | C20 | H26 | 120.2° | 120.0° |
| C20 | C19 | H25 | 119.9° | 120.0° |
| C19 | C20 | H26 | 120.1° | 120.0° |
| C14 | C13 | C8 | 114.2° | 110.7° |
| C14 | C13 | C12 | 115.9° | 110.8° |
| C14 | C13 | H18 | 108.5° | 110.8° |
| C13 | C14 | H20 | 117.8° | 120.0° |
| C10 | C11 | C12 | 101.6° | 102.8° |
| C11 | C10 | C9 | 101.5° | 102.7° |
| C11 | C10 | H13 | 111.4° | 110.8° |
| C11 | C10 | H14 | 111.4° | 110.9° |
| C10 | C11 | H15 | 111.4° | 110.7° |
| C10 | C11 | H16 | 111.4° | 110.7° |
| C11 | C12 | C13 | 110.9° | 105.3° |
| C11 | C12 | O5 | 102.4° | 101.2° |
| C12 | C11 | H15 | 111.4° | 110.8° |
| C12 | C11 | H16 | 111.4° | 110.8° |
| C11 | C12 | H17 | 113.3° | 115.4° |
| C10 | C9 | C8 | 108.6° | 105.3° |
| C10 | C9 | O5 | 102.5° | 101.3° |
| C10 | C9 | H12 | 113.6° | 116.0° |
| C9 | C10 | H13 | 111.4° | 110.7° |
| C9 | C10 | H14 | 111.4° | 110.7° |
| C8 | C13 | C12 | 101.6° | 102.8° |
| C13 | C8 | C7 | 112.4° | 110.8° |
| C13 | C8 | C9 | 101.6° | 102.8° |
| C13 | C8 | H11 | 109.3° | 110.9° |
| C8 | C13 | H18 | 108.1° | 110.8° |
| C13 | C12 | O5 | 101.0° | 101.3° |
| C13 | C12 | H17 | 113.3° | 116.0° |
| C12 | C13 | H18 | 108.2° | 110.7° |
| C7 | C8 | C9 | 114.5° | 110.8° |
| C8 | C7 | C6 | 113.3° | 109.5° |
| C8 | C7 | H9 | 108.5° | 109.5° |
| C8 | C7 | H10 | 108.5° | 109.5° |
| C7 | C8 | H11 | 109.4° | 110.7° |
| C8 | C9 | O5 | 102.0° | 101.2° |
| C9 | C8 | H11 | 109.3° | 110.7° |
| C8 | C9 | H12 | 113.6° | 115.3° |
| C12 | O5 | C9 | 96.9° | 99.7° |
| O5 | C12 | H17 | 114.9° | 115.7° |
| C7 | C6 | C5 | 127.2° | 120.0° |
| C7 | C6 | H8 | 116.4° | 120.0° |
| C6 | C7 | H9 | 108.5° | 109.4° |
| C6 | C7 | H10 | 108.5° | 109.5° |
| C6 | C5 | C4 | 127.2° | 120.0° |
| C6 | C5 | H7 | 116.4° | 120.0° |
| C5 | C6 | H8 | 116.4° | 120.0° |
| O5 | C9 | H12 | 115.3° | 115.7° |
| C5 | C4 | C3 | 113.3° | 109.5° |
| C5 | C4 | H5 | 108.5° | 109.5° |
| C5 | C4 | H6 | 108.5° | 109.5° |
| C4 | C5 | H7 | 116.4° | 120.0° |
| C4 | C3 | C2 | 112.4° | 109.5° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.4° |
| C3 | C4 | H5 | 108.5° | 109.5° |
| C3 | C4 | H6 | 108.5° | 109.4° |
| C3 | C2 | C1 | 114.4° | 109.5° |
| C3 | C2 | H1 | 108.2° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H4 | 108.7° | 109.5° |
| C2 | C1 | O2 | 118.2° | 120.0° |
| C2 | C1 | O1 | 118.2° | 120.0° |
| C1 | C2 | H1 | 108.3° | 109.4° |
| C1 | C2 | H2 | 108.2° | 109.5° |
| O2 | C1 | O1 | 123.6° | 120.0° |
| C1 | O1 | H19 | 109.5° | 117.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 110.7° |
| H15 | C11 | H16 | 109.5° | 110.8° |
| H23 | C17 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | O3 | H23 | 119.5° | 120.0° |
| C16 | C17 | O3 | H24 | 119.5° | 120.0° |
| C17 | C16 | O4 | C15 | 119.3° | 120.0° |
| C17 | C16 | O4 | H22 | 120.4° | 120.0° |
| C17 | C16 | C15 | H22 | 117.5° | 120.0° |
| C16 | C17 | O3 | C18 | 154.5° | 180.0° |
| C17 | C16 | C15 | C14 | 177.6° | 125.0° |
| C17 | C16 | C15 | H21 | 2.4° | 55.0° |
| C16 | C17 | H23 | H24 | 121.5° | 120.0° |
| C17 | C16 | O4 | H29 | 180.0° | 60.1° |
| O3 | C17 | C16 | O4 | 63.7° | 65.0° |
| O3 | C17 | C16 | C15 | 57.5° | 175.0° |
| C17 | O3 | C18 | C23 | 7.4° | 0.3° |
| C17 | O3 | C18 | C19 | 172.4° | 180.0° |
| O3 | C17 | C16 | H22 | 175.1° | 55.0° |
| O3 | C17 | H23 | H24 | 121.5° | 120.0° |
| O4 | C16 | C15 | H22 | 121.0° | 120.0° |
| O4 | C16 | C15 | C14 | 56.1° | 5.0° |
| O4 | C16 | C15 | H21 | 123.8° | 175.0° |
| O4 | C16 | C17 | H23 | 176.8° | 55.0° |
| O4 | C16 | C17 | H24 | 55.8° | 175.0° |
| C16 | C15 | C14 | H21 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.6° | 180.0° |
| C16 | C15 | C14 | H20 | 0.4° | 0.0° |
| C15 | C16 | C17 | H23 | 62.0° | 65.0° |
| C15 | C16 | C17 | H24 | 177.0° | 55.0° |
| C15 | C16 | O4 | H29 | 60.7° | 60.0° |
| C22 | C23 | C18 | H28 | 180.0° | 179.9° |
| C23 | C22 | C21 | H27 | 180.0° | 180.0° |
| C22 | C23 | C18 | O3 | 179.6° | 179.7° |
| C22 | C23 | C18 | C19 | 0.2° | 0.0° |
| C23 | C22 | C21 | I1 | 179.8° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C18 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C18 | O3 | C19 | 179.8° | 179.7° |
| C23 | C18 | C19 | C20 | 0.2° | 0.0° |
| C23 | C18 | C19 | H25 | 179.8° | 179.9° |
| C18 | C23 | C22 | H27 | 179.8° | 179.9° |
| C22 | C21 | I1 | C20 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C22 | C21 | C20 | H26 | 179.9° | 180.0° |
| C21 | C22 | C23 | H28 | 179.8° | 179.9° |
| O3 | C18 | C19 | C20 | 179.6° | 179.7° |
| C18 | O3 | C17 | H23 | 35.0° | 60.0° |
| C18 | O3 | C17 | H24 | 86.0° | 60.0° |
| O3 | C18 | C19 | H25 | 0.4° | 0.3° |
| O3 | C18 | C23 | H28 | 0.4° | 0.2° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H25 | 180.0° | 179.9° |
| C18 | C19 | C20 | H26 | 179.9° | 180.0° |
| C19 | C18 | C23 | H28 | 179.8° | 179.9° |
| C15 | C14 | C13 | H20 | 180.0° | 180.0° |
| C15 | C14 | C13 | C8 | 60.9° | 126.9° |
| C15 | C14 | C13 | C12 | 178.4° | 119.7° |
| C15 | C14 | C13 | H18 | 59.8° | 3.6° |
| C14 | C15 | C16 | H22 | 64.9° | 115.0° |
| I1 | C21 | C20 | C19 | 179.9° | 180.0° |
| I1 | C21 | C20 | H26 | 0.1° | 0.0° |
| I1 | C21 | C22 | H27 | 0.2° | 0.0° |
| C21 | C20 | C19 | H26 | 180.0° | 180.0° |
| C21 | C20 | C19 | H25 | 179.9° | 179.9° |
| C20 | C21 | C22 | H27 | 179.8° | 179.9° |
| C14 | C13 | C12 | C11 | 53.4° | 45.6° |
| C14 | C13 | C8 | C12 | 125.5° | 118.3° |
| C14 | C13 | C8 | H18 | 120.8° | 123.3° |
| C14 | C13 | C12 | H18 | 122.0° | 123.3° |
| C14 | C13 | C8 | C7 | 108.9° | 123.4° |
| C14 | C13 | C8 | C9 | 128.2° | 118.3° |
| C14 | C13 | C12 | O5 | 161.4° | 150.7° |
| C14 | C13 | C8 | H11 | 12.7° | 0.1° |
| C14 | C13 | C12 | H17 | 75.2° | 83.2° |
| C13 | C14 | C15 | H21 | 0.4° | 0.0° |
| C10 | C11 | C12 | H15 | 118.7° | 118.3° |
| C10 | C11 | C12 | H16 | 118.7° | 118.3° |
| C11 | C10 | C9 | H13 | 118.7° | 118.3° |
| C11 | C10 | C9 | H14 | 118.7° | 118.5° |
| C10 | C11 | C12 | C13 | 72.4° | 72.7° |
| C11 | C10 | C9 | C8 | 73.7° | 72.7° |
| C10 | C11 | C12 | O5 | 34.7° | 32.4° |
| C11 | C10 | C9 | O5 | 33.7° | 32.4° |
| C11 | C10 | C9 | H12 | 158.8° | 158.5° |
| C11 | C10 | H13 | H14 | 123.7° | 123.5° |
| C10 | C11 | H15 | H16 | 123.7° | 123.2° |
| C10 | C11 | C12 | H17 | 159.0° | 158.1° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C11 | C12 | C13 | C8 | 70.9° | 72.7° |
| C11 | C12 | C13 | O5 | 108.0° | 105.1° |
| C11 | C12 | C13 | H17 | 128.6° | 128.8° |
| C11 | C12 | O5 | H17 | 123.2° | 125.5° |
| C11 | C12 | O5 | C9 | 56.3° | 54.1° |
| C12 | C11 | C10 | H13 | 119.3° | 118.3° |
| C12 | C11 | C10 | H14 | 118.1° | 118.4° |
| C12 | C11 | H15 | H16 | 123.7° | 123.3° |
| C11 | C12 | C13 | H18 | 175.4° | 169.0° |
| C10 | C9 | C8 | C13 | 75.3° | 72.7° |
| C10 | C9 | C8 | C7 | 163.3° | 169.0° |
| C10 | C9 | C8 | O5 | 107.7° | 105.2° |
| C10 | C9 | C8 | H12 | 127.5° | 129.2° |
| C10 | C9 | O5 | C12 | 55.9° | 54.1° |
| C10 | C9 | O5 | H12 | 124.0° | 126.3° |
| C10 | C9 | C8 | H11 | 40.1° | 45.8° |
| C9 | C10 | H13 | H14 | 123.7° | 123.2° |
| C9 | C10 | C11 | H15 | 119.3° | 118.4° |
| C9 | C10 | C11 | H16 | 118.2° | 118.3° |
| C8 | C13 | C12 | H18 | 113.7° | 118.3° |
| C13 | C8 | C7 | C9 | 115.3° | 113.4° |
| C13 | C8 | C7 | H11 | 121.6° | 123.5° |
| C13 | C8 | C9 | H11 | 115.4° | 118.5° |
| C8 | C13 | C12 | O5 | 37.1° | 32.4° |
| C13 | C8 | C7 | C6 | 178.5° | 179.8° |
| C13 | C8 | C9 | O5 | 32.4° | 32.5° |
| C13 | C8 | C7 | H9 | 60.9° | 59.8° |
| C13 | C8 | C7 | H10 | 58.0° | 60.2° |
| C13 | C8 | C9 | H12 | 157.2° | 158.1° |
| C8 | C13 | C12 | H17 | 160.5° | 158.5° |
| C8 | C13 | C14 | H20 | 119.1° | 53.1° |
| C12 | C13 | C8 | C7 | 125.6° | 118.3° |
| C12 | C13 | C8 | C9 | 2.7° | 0.0° |
| C13 | C12 | O5 | H17 | 122.3° | 126.2° |
| C13 | C12 | O5 | C9 | 58.2° | 54.2° |
| C12 | C13 | C8 | H11 | 112.7° | 118.4° |
| C13 | C12 | C11 | H15 | 46.4° | 45.7° |
| C13 | C12 | C11 | H16 | 168.9° | 169.0° |
| C12 | C13 | C14 | H20 | 1.6° | 60.3° |
| C7 | C8 | C9 | H11 | 123.2° | 123.1° |
| C8 | C7 | C6 | H9 | 120.6° | 120.0° |
| C8 | C7 | C6 | H10 | 120.6° | 120.1° |
| C8 | C7 | C6 | C5 | 128.0° | 126.3° |
| C7 | C8 | C9 | O5 | 88.9° | 85.9° |
| C8 | C7 | C6 | H8 | 52.0° | 53.6° |
| C8 | C7 | H9 | H10 | 118.3° | 120.1° |
| C7 | C8 | C9 | H12 | 35.8° | 39.8° |
| C7 | C8 | C13 | H18 | 11.9° | 0.0° |
| C8 | C9 | O5 | C12 | 56.5° | 54.2° |
| C9 | C8 | C7 | C6 | 63.2° | 66.4° |
| C8 | C9 | O5 | H12 | 123.6° | 125.4° |
| C9 | C8 | C7 | H9 | 176.2° | 53.5° |
| C9 | C8 | C7 | H10 | 57.3° | 173.6° |
| C8 | C9 | C10 | H13 | 167.6° | 45.6° |
| C8 | C9 | C10 | H14 | 45.0° | 168.8° |
| C9 | C8 | C13 | H18 | 111.0° | 118.3° |
| C12 | O5 | C9 | H12 | 179.9° | 179.6° |
| O5 | C12 | C11 | H15 | 153.4° | 150.8° |
| O5 | C12 | C11 | H16 | 84.0° | 85.9° |
| O5 | C12 | C13 | H18 | 76.6° | 85.9° |
| C7 | C6 | C5 | H8 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 4.9° | 7.5° |
| C7 | C6 | C5 | H7 | 175.1° | 172.4° |
| C6 | C7 | H9 | H10 | 118.2° | 119.9° |
| C6 | C7 | C8 | H11 | 59.9° | 56.8° |
| C6 | C5 | C4 | H7 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 122.7° | 127.6° |
| C6 | C5 | C4 | H5 | 116.8° | 7.6° |
| C6 | C5 | C4 | H6 | 2.1° | 112.4° |
| C5 | C6 | C7 | H9 | 111.4° | 113.7° |
| C5 | C6 | C7 | H10 | 7.5° | 6.2° |
| O5 | C9 | C8 | H11 | 147.9° | 151.0° |
| O5 | C9 | C10 | H13 | 85.0° | 150.7° |
| O5 | C9 | C10 | H14 | 152.4° | 86.1° |
| C9 | O5 | C12 | H17 | 179.6° | 179.6° |
| C5 | C4 | C3 | H5 | 120.6° | 120.0° |
| C5 | C4 | C3 | H6 | 120.5° | 120.0° |
| C5 | C4 | C3 | C2 | 62.7° | 180.0° |
| C5 | C4 | C3 | H3 | 57.7° | 60.0° |
| C5 | C4 | C3 | H4 | 176.8° | 60.0° |
| C5 | C4 | H5 | H6 | 118.2° | 120.0° |
| C4 | C5 | C6 | H8 | 175.1° | 172.6° |
| C4 | C3 | C2 | H3 | 120.5° | 120.0° |
| C4 | C3 | C2 | H4 | 120.4° | 120.0° |
| C4 | C3 | C2 | C1 | 178.4° | 180.0° |
| C4 | C3 | C2 | H1 | 57.7° | 60.0° |
| C4 | C3 | C2 | H2 | 60.8° | 60.0° |
| C4 | C3 | H3 | H4 | 118.6° | 120.0° |
| C3 | C4 | H5 | H6 | 118.3° | 120.0° |
| C3 | C4 | C5 | H7 | 57.3° | 52.4° |
| C3 | C2 | C1 | H1 | 120.7° | 120.0° |
| C3 | C2 | C1 | H2 | 120.7° | 120.0° |
| C3 | C2 | C1 | O2 | 59.8° | 0.0° |
| C3 | C2 | C1 | O1 | 120.1° | 179.7° |
| C3 | C2 | H1 | H2 | 117.8° | 120.0° |
| C2 | C3 | H3 | H4 | 118.7° | 120.0° |
| C2 | C3 | C4 | H5 | 176.7° | 60.0° |
| C2 | C3 | C4 | H6 | 57.8° | 60.0° |
| C2 | C1 | O2 | O1 | 179.8° | 179.8° |
| C1 | C2 | H1 | H2 | 117.8° | 120.0° |
| C1 | C2 | C3 | H3 | 61.1° | 60.0° |
| C1 | C2 | C3 | H4 | 58.0° | 60.0° |
| C2 | C1 | O1 | H19 | 179.8° | 179.7° |
| O2 | C1 | C2 | H1 | 179.5° | 120.0° |
| O2 | C1 | C2 | H2 | 60.9° | 120.0° |
| O2 | C1 | O1 | H19 | 0.0° | 0.1° |
| O1 | C1 | C2 | H1 | 0.7° | 59.8° |
| O1 | C1 | C2 | H2 | 119.2° | 60.2° |
| H1 | C2 | C3 | H3 | 178.2° | 180.0° |
| H1 | C2 | C3 | H4 | 62.7° | 60.0° |
| H2 | C2 | C3 | H3 | 59.6° | 60.0° |
| H2 | C2 | C3 | H4 | 178.7° | 180.0° |
| H3 | C3 | C4 | H5 | 62.8° | 180.0° |
| H3 | C3 | C4 | H6 | 178.3° | 60.0° |
| H4 | C3 | C4 | H5 | 56.3° | 60.0° |
| H4 | C3 | C4 | H6 | 62.6° | NaN° |
| H5 | C4 | C5 | H7 | 63.2° | 172.5° |
| H6 | C4 | C5 | H7 | 177.9° | 67.6° |
| H7 | C5 | C6 | H8 | 4.9° | 7.5° |
| H8 | C6 | C7 | H9 | 68.6° | 66.3° |
| H8 | C6 | C7 | H10 | 172.5° | 173.7° |
| H9 | C7 | C8 | H11 | 60.6° | 176.7° |
| H10 | C7 | C8 | H11 | 179.5° | 63.3° |
| H11 | C8 | C9 | H12 | 87.4° | 83.4° |
| H11 | C8 | C13 | H18 | 133.5° | 123.3° |
| H12 | C9 | C10 | H13 | 40.1° | 83.2° |
| H12 | C9 | C10 | H14 | 82.5° | 40.0° |
| H13 | C10 | C11 | H15 | 122.0° | 0.1° |
| H13 | C10 | C11 | H16 | 0.6° | 123.4° |
| H14 | C10 | C11 | H15 | 0.6° | 123.3° |
| H14 | C10 | C11 | H16 | 123.2° | 0.0° |
| H15 | C11 | C12 | H17 | 82.3° | 83.6° |
| H16 | C11 | C12 | H17 | 40.3° | 39.8° |
| H17 | C12 | C13 | H18 | 46.8° | 40.1° |
| H18 | C13 | C14 | H20 | 120.2° | 176.4° |
| H20 | C14 | C15 | H21 | 179.6° | 180.0° |
| H21 | C15 | C16 | H22 | 115.1° | 65.0° |
| H22 | C16 | C17 | H23 | 55.6° | 175.0° |
| H22 | C16 | C17 | H24 | 65.4° | 65.0° |
| H22 | C16 | O4 | H29 | 59.6° | 180.0° |
| H25 | C19 | C20 | H26 | 0.1° | 0.1° |
| H27 | C22 | C23 | H28 | 0.2° | 0.1° |
