AQL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O1 | sing | 1.43Å | 1.47Å | |
| C5 | C8 | sing | 1.51Å | 1.50Å | |
| O1 | C4 | sing | 1.36Å | 1.38Å | |
| C8 | C9 | doub | 1.33Å | 1.33Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.45Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | O3 | sing | 1.35Å | 1.38Å | |
| C2 | C1 | doub | 1.41Å | 1.40Å | Aromatic |
| O3 | C18 | sing | 1.35Å | 1.39Å | |
| C11 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | O2 | sing | 1.36Å | 1.38Å | |
| C1 | C | sing | 1.47Å | 1.48Å | |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| O2 | C12 | sing | 1.43Å | 1.43Å | |
| C | C29 | sing | 1.48Å | 1.48Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| O4 | C20 | sing | 1.36Å | 1.36Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C21 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | O5 | sing | 1.36Å | 1.38Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C17 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| O5 | C22 | sing | 1.43Å | 1.43Å | |
| C16 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.31Å | 1.33Å | |
| N | C15 | sing | 1.32Å | 1.34Å | Aromatic |
| C28 | C26 | sing | 1.51Å | 1.50Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C15 | H28 | sing | 1.08Å | 1.08Å | |
| C14 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C7 | 111.4° | 109.2° |
| C6 | C5 | O1 | 107.6° | 109.3° |
| C6 | C5 | C8 | 110.7° | 109.2° |
| C5 | C6 | H18 | 109.5° | 109.4° |
| C5 | C6 | H19 | 109.5° | 109.5° |
| C5 | C6 | H20 | 109.5° | 109.5° |
| C7 | C5 | O1 | 104.8° | 109.2° |
| C7 | C5 | C8 | 111.3° | 109.2° |
| C5 | C7 | H21 | 109.5° | 109.4° |
| C5 | C7 | H22 | 109.5° | 109.5° |
| C5 | C7 | H23 | 109.5° | 109.4° |
| O1 | C5 | C8 | 110.8° | 110.6° |
| C5 | O1 | C4 | 118.4° | 117.2° |
| C5 | C8 | C9 | 121.7° | 119.9° |
| C5 | C8 | H17 | 119.2° | 120.0° |
| O1 | C4 | C3 | 117.5° | 121.0° |
| O1 | C4 | C10 | 120.6° | 118.6° |
| C8 | C9 | C10 | 120.1° | 118.0° |
| C8 | C9 | H16 | 119.9° | 121.0° |
| C9 | C8 | H17 | 119.1° | 120.0° |
| C3 | C4 | C10 | 121.9° | 120.3° |
| C4 | C3 | C2 | 118.5° | 120.3° |
| C4 | C3 | H15 | 120.7° | 119.8° |
| C4 | C10 | C9 | 118.4° | 118.5° |
| C4 | C10 | C11 | 117.8° | 120.2° |
| C3 | C2 | O3 | 115.9° | 119.7° |
| C3 | C2 | C1 | 122.4° | 119.4° |
| C2 | C3 | H15 | 120.7° | 119.9° |
| C9 | C10 | C11 | 123.6° | 121.3° |
| C10 | C9 | H16 | 119.9° | 121.0° |
| C10 | C11 | C1 | 121.9° | 119.1° |
| C10 | C11 | O2 | 115.7° | 120.5° |
| O3 | C2 | C1 | 121.7° | 121.0° |
| C2 | O3 | C18 | 120.5° | 122.0° |
| C2 | C1 | C11 | 117.4° | 120.7° |
| C2 | C1 | C | 119.5° | 118.5° |
| O3 | C18 | C19 | 115.3° | 119.9° |
| O3 | C18 | C29 | 122.5° | 121.1° |
| C1 | C11 | O2 | 122.1° | 120.5° |
| C11 | C1 | C | 123.1° | 120.9° |
| C11 | O2 | C12 | 118.3° | 117.0° |
| C1 | C | C29 | 117.2° | 115.9° |
| C1 | C | O | 121.3° | 122.0° |
| C18 | C19 | C20 | 118.8° | 120.2° |
| C19 | C18 | C29 | 122.1° | 119.0° |
| C18 | C19 | H14 | 120.6° | 119.9° |
| C19 | C20 | O4 | 118.0° | 119.7° |
| C19 | C20 | C21 | 120.3° | 120.6° |
| C20 | C19 | H14 | 120.6° | 119.9° |
| C18 | C29 | C | 118.4° | 118.4° |
| C18 | C29 | C23 | 119.2° | 120.7° |
| O2 | C12 | C13 | 106.6° | 109.5° |
| O2 | C12 | H24 | 110.2° | 109.5° |
| O2 | C12 | H25 | 110.2° | 109.5° |
| C29 | C | O | 121.5° | 122.1° |
| C | C29 | C23 | 122.3° | 120.9° |
| O4 | C20 | C21 | 121.6° | 119.7° |
| C20 | O4 | H13 | 109.5° | 114.0° |
| C20 | C21 | C23 | 121.5° | 119.9° |
| C20 | C21 | O5 | 117.8° | 120.0° |
| C29 | C23 | C21 | 117.1° | 119.6° |
| C29 | C23 | C24 | 122.3° | 120.2° |
| C12 | C13 | C17 | 120.9° | 120.8° |
| C12 | C13 | C14 | 121.3° | 120.8° |
| C13 | C12 | H24 | 110.2° | 109.4° |
| C13 | C12 | H25 | 110.2° | 109.4° |
| C23 | C21 | O5 | 120.4° | 120.0° |
| C21 | C23 | C24 | 119.0° | 120.2° |
| C21 | O5 | C22 | 114.1° | 117.0° |
| C23 | C24 | C25 | 117.0° | 109.5° |
| C23 | C24 | H1 | 107.6° | 109.5° |
| C23 | C24 | H2 | 107.6° | 109.5° |
| C13 | C17 | C16 | 119.2° | 119.1° |
| C17 | C13 | C14 | 117.8° | 118.4° |
| C13 | C17 | H26 | 120.4° | 120.4° |
| C17 | C16 | N | 123.5° | 120.8° |
| C16 | C17 | H26 | 120.4° | 120.5° |
| C17 | C16 | H27 | 118.3° | 119.6° |
| C13 | C14 | C15 | 119.1° | 119.2° |
| C13 | C14 | H29 | 120.4° | 120.4° |
| C24 | C25 | C26 | 126.7° | 120.0° |
| C25 | C24 | H1 | 107.6° | 109.4° |
| C25 | C24 | H2 | 107.6° | 109.4° |
| C24 | C25 | H3 | 116.7° | 120.0° |
| O5 | C22 | H10 | 109.5° | 109.4° |
| O5 | C22 | H11 | 109.5° | 109.5° |
| O5 | C22 | H12 | 109.5° | 109.4° |
| C16 | N | C15 | 116.7° | 121.7° |
| N | C16 | H27 | 118.3° | 119.6° |
| C14 | C15 | N | 123.7° | 120.7° |
| C14 | C15 | H28 | 118.1° | 119.7° |
| C15 | C14 | H29 | 120.4° | 120.4° |
| C25 | C26 | C28 | 121.8° | 120.0° |
| C25 | C26 | C27 | 123.5° | 120.0° |
| C26 | C25 | H3 | 116.7° | 120.0° |
| N | C15 | H28 | 118.1° | 119.6° |
| C28 | C26 | C27 | 114.7° | 120.0° |
| C26 | C28 | H4 | 109.5° | 109.5° |
| C26 | C28 | H5 | 109.5° | 109.4° |
| C26 | C28 | H6 | 109.4° | 109.4° |
| C26 | C27 | H7 | 109.5° | 109.5° |
| C26 | C27 | H8 | 109.5° | 109.5° |
| C26 | C27 | H9 | 109.5° | 109.4° |
| H1 | C24 | H2 | 109.4° | 109.4° |
| H4 | C28 | H5 | 109.5° | 109.4° |
| H4 | C28 | H6 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | C27 | H8 | 109.5° | 109.5° |
| H7 | C27 | H9 | 109.5° | 109.4° |
| H8 | C27 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.4° | 109.5° |
| H10 | C22 | H12 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.4° | 109.5° |
| H18 | C6 | H20 | 109.5° | 109.5° |
| H19 | C6 | H20 | 109.5° | 109.5° |
| H21 | C7 | H22 | 109.4° | 109.5° |
| H21 | C7 | H23 | 109.5° | 109.4° |
| H22 | C7 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C7 | O1 | 116.1° | 119.5° |
| C6 | C5 | C7 | C8 | 124.1° | 119.4° |
| C6 | C5 | O1 | C8 | 121.2° | 120.3° |
| C6 | C5 | O1 | C4 | 158.1° | 168.6° |
| C6 | C5 | C8 | C9 | 146.9° | 151.8° |
| C6 | C5 | C8 | H17 | 33.1° | 28.3° |
| C5 | C6 | H18 | H19 | 120.0° | 120.0° |
| C5 | C6 | H18 | H20 | 120.0° | 120.0° |
| C5 | C6 | H19 | H20 | 120.0° | 120.0° |
| C6 | C5 | C7 | H21 | 180.0° | 179.4° |
| C6 | C5 | C7 | H22 | 60.0° | 60.5° |
| C6 | C5 | C7 | H23 | 60.0° | 59.5° |
| C7 | C5 | O1 | C8 | 120.2° | 120.3° |
| C7 | C5 | O1 | C4 | 83.3° | 71.9° |
| C7 | C5 | C8 | C9 | 88.6° | 88.7° |
| C7 | C5 | C8 | H17 | 91.4° | 91.1° |
| C7 | C5 | C6 | H18 | 180.0° | 59.5° |
| C7 | C5 | C6 | H19 | 60.0° | 60.5° |
| C7 | C5 | C6 | H20 | 60.0° | 179.4° |
| C5 | C7 | H21 | H22 | 120.0° | 120.1° |
| C5 | C7 | H21 | H23 | 120.0° | 119.9° |
| C5 | C7 | H22 | H23 | 120.0° | 120.0° |
| O1 | C5 | C8 | C9 | 27.6° | 31.5° |
| C5 | O1 | C4 | C3 | 154.6° | 146.4° |
| C5 | O1 | C4 | C10 | 25.2° | 33.7° |
| O1 | C5 | C8 | H17 | 152.4° | 148.6° |
| O1 | C5 | C6 | H18 | 65.6° | 60.0° |
| O1 | C5 | C6 | H19 | 54.3° | 180.0° |
| O1 | C5 | C6 | H20 | 174.3° | 60.0° |
| O1 | C5 | C7 | H21 | 63.9° | 59.9° |
| O1 | C5 | C7 | H22 | 176.1° | 180.0° |
| O1 | C5 | C7 | H23 | 56.1° | 60.0° |
| C8 | C5 | O1 | C4 | 36.9° | 48.4° |
| C5 | C8 | C9 | H17 | 180.0° | 179.9° |
| C5 | C8 | C9 | C10 | 5.6° | 0.7° |
| C5 | C8 | C9 | H16 | 174.4° | 179.4° |
| C8 | C5 | C6 | H18 | 55.6° | 178.9° |
| C8 | C5 | C6 | H19 | 175.6° | 58.9° |
| C8 | C5 | C6 | H20 | 64.4° | 61.1° |
| C8 | C5 | C7 | H21 | 55.9° | 61.2° |
| C8 | C5 | C7 | H22 | 64.1° | 58.9° |
| C8 | C5 | C7 | H23 | 175.9° | 178.9° |
| O1 | C4 | C3 | C10 | 179.8° | 179.9° |
| O1 | C4 | C3 | C2 | 178.4° | 179.9° |
| O1 | C4 | C10 | C9 | 0.8° | 0.2° |
| O1 | C4 | C10 | C11 | 176.8° | 179.7° |
| O1 | C4 | C3 | H15 | 1.6° | 0.1° |
| C8 | C9 | C10 | C4 | 9.2° | 16.6° |
| C8 | C9 | C10 | H16 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 166.6° | 163.4° |
| C4 | C3 | C2 | H15 | 180.0° | 180.0° |
| C3 | C4 | C10 | C9 | 179.0° | 179.7° |
| C3 | C4 | C10 | C11 | 2.9° | 0.4° |
| C4 | C3 | C2 | O3 | 180.0° | 179.5° |
| C4 | C3 | C2 | C1 | 1.7° | 0.8° |
| C10 | C4 | C3 | C2 | 1.4° | 0.2° |
| C4 | C10 | C9 | C11 | 175.8° | 180.0° |
| C4 | C10 | C11 | C1 | 1.5° | 0.4° |
| C4 | C10 | C11 | O2 | 172.3° | 180.0° |
| C10 | C4 | C3 | H15 | 178.6° | 179.8° |
| C4 | C10 | C9 | H16 | 170.8° | 163.3° |
| C3 | C2 | O3 | C1 | 178.3° | 179.6° |
| C3 | C2 | O3 | C18 | 176.5° | 163.9° |
| C3 | C2 | C1 | C11 | 3.0° | 1.6° |
| C3 | C2 | C1 | C | 174.4° | 179.0° |
| C9 | C10 | C11 | C1 | 177.3° | 179.6° |
| C9 | C10 | C11 | O2 | 3.5° | 0.1° |
| C10 | C9 | C8 | H17 | 174.4° | 179.5° |
| C10 | C11 | C1 | C2 | 1.4° | 1.4° |
| C10 | C11 | C1 | O2 | 173.4° | 179.6° |
| C10 | C11 | C1 | C | 175.9° | 179.2° |
| C10 | C11 | O2 | C12 | 103.3° | 90.0° |
| C11 | C10 | C9 | H16 | 13.5° | 16.7° |
| O3 | C2 | C1 | C11 | 178.8° | 178.8° |
| O3 | C2 | C1 | C | 3.8° | 0.7° |
| C2 | O3 | C18 | C19 | 174.1° | 164.4° |
| C2 | O3 | C18 | C29 | 2.8° | 15.8° |
| O3 | C2 | C3 | H15 | 0.0° | 0.5° |
| C1 | C2 | O3 | C18 | 1.8° | 15.7° |
| C2 | C1 | C11 | C | 177.3° | 179.4° |
| C2 | C1 | C11 | O2 | 174.7° | 179.0° |
| C2 | C1 | C | C29 | 1.5° | 13.0° |
| C2 | C1 | C | O | 180.0° | 167.3° |
| C1 | C2 | C3 | H15 | 178.3° | 179.2° |
| O3 | C18 | C19 | C29 | 176.9° | 179.7° |
| O3 | C18 | C19 | C20 | 174.7° | 179.3° |
| O3 | C18 | C29 | C | 4.9° | 0.8° |
| O3 | C18 | C29 | C23 | 178.1° | 179.2° |
| O3 | C18 | C19 | H14 | 5.3° | 0.6° |
| C1 | C11 | O2 | C12 | 82.9° | 89.7° |
| C11 | C1 | C | C29 | 178.7° | 167.6° |
| C11 | C1 | C | O | 2.8° | 12.1° |
| O2 | C11 | C1 | C | 2.5° | 0.4° |
| C11 | O2 | C12 | C13 | 164.8° | 180.0° |
| C11 | O2 | C12 | H24 | 45.3° | 60.0° |
| C11 | O2 | C12 | H25 | 75.7° | 60.0° |
| C1 | C | C29 | C18 | 2.7° | 12.9° |
| C1 | C | C29 | O | 178.4° | 179.7° |
| C1 | C | C29 | C23 | 179.6° | 167.0° |
| C18 | C19 | C20 | H14 | 180.0° | 179.9° |
| C19 | C18 | C29 | C | 171.8° | 179.4° |
| C18 | C19 | C20 | O4 | 174.7° | 179.9° |
| C18 | C19 | C20 | C21 | 3.9° | 0.1° |
| C19 | C18 | C29 | C23 | 5.2° | 0.5° |
| C20 | C19 | C18 | C29 | 2.2° | 0.4° |
| C19 | C20 | O4 | C21 | 178.7° | 180.0° |
| C19 | C20 | C21 | C23 | 1.8° | 0.2° |
| C19 | C20 | C21 | O5 | 171.4° | 179.8° |
| C19 | C20 | O4 | H13 | 180.0° | 90.0° |
| C18 | C29 | C | C23 | 176.9° | 179.9° |
| C18 | C29 | C | O | 175.7° | 167.4° |
| C18 | C29 | C23 | C21 | 10.5° | 0.3° |
| C18 | C29 | C23 | C24 | 154.8° | 179.7° |
| C29 | C18 | C19 | H14 | 177.8° | 179.7° |
| O2 | C12 | C13 | H24 | 119.5° | 120.1° |
| O2 | C12 | C13 | H25 | 119.5° | 120.0° |
| O2 | C12 | C13 | C17 | 29.1° | 89.7° |
| O2 | C12 | C13 | C14 | 153.2° | 90.0° |
| O2 | C12 | H24 | H25 | 121.3° | 120.0° |
| C | C29 | C23 | C21 | 166.3° | 179.6° |
| C | C29 | C23 | C24 | 28.4° | 0.4° |
| O | C | C29 | C23 | 1.1° | 12.7° |
| O4 | C20 | C21 | C23 | 179.6° | 179.9° |
| O4 | C20 | C21 | O5 | 7.2° | 0.2° |
| O4 | C20 | C19 | H14 | 5.3° | 0.0° |
| C20 | C21 | C23 | C29 | 9.0° | 0.0° |
| C20 | C21 | C23 | O5 | 173.0° | 180.0° |
| C20 | C21 | C23 | C24 | 156.8° | 180.0° |
| C20 | C21 | O5 | C22 | 77.5° | 90.0° |
| C21 | C20 | O4 | H13 | 1.3° | 90.0° |
| C21 | C20 | C19 | H14 | 176.0° | 180.0° |
| C29 | C23 | C21 | C24 | 165.8° | 180.0° |
| C29 | C23 | C21 | O5 | 164.0° | 179.9° |
| C29 | C23 | C24 | C25 | 142.4° | 84.0° |
| C29 | C23 | C24 | H1 | 21.3° | 156.0° |
| C29 | C23 | C24 | H2 | 96.5° | 36.0° |
| C12 | C13 | C17 | C14 | 177.7° | 179.7° |
| C12 | C13 | C17 | C16 | 176.5° | 180.0° |
| C12 | C13 | C14 | C15 | 176.7° | 179.8° |
| C13 | C12 | H24 | H25 | 121.3° | 119.9° |
| C12 | C13 | C17 | H26 | 3.5° | 0.1° |
| C12 | C13 | C14 | H29 | 3.3° | 0.0° |
| C21 | C23 | C24 | C25 | 52.6° | 96.0° |
| C23 | C21 | O5 | C22 | 95.8° | 90.0° |
| C21 | C23 | C24 | H1 | 173.7° | 24.0° |
| C21 | C23 | C24 | H2 | 68.5° | 144.0° |
| O5 | C21 | C23 | C24 | 30.2° | 0.1° |
| C21 | O5 | C22 | H10 | 180.0° | 180.0° |
| C21 | O5 | C22 | H11 | 60.0° | 60.0° |
| C21 | O5 | C22 | H12 | 60.0° | 60.0° |
| C23 | C24 | C25 | H1 | 121.1° | 120.1° |
| C23 | C24 | C25 | H2 | 121.1° | 120.0° |
| C23 | C24 | C25 | C26 | 133.8° | 127.9° |
| C23 | C24 | H1 | H2 | 116.6° | 120.1° |
| C23 | C24 | C25 | H3 | 46.2° | 52.1° |
| C13 | C17 | C16 | H26 | 180.0° | 180.0° |
| C13 | C17 | C16 | N | 0.5° | 0.0° |
| C17 | C13 | C14 | C15 | 1.0° | 0.6° |
| C17 | C13 | C12 | H24 | 148.7° | 150.2° |
| C17 | C13 | C12 | H25 | 90.4° | 30.3° |
| C13 | C17 | C16 | H27 | 179.5° | 179.9° |
| C17 | C13 | C14 | H29 | 179.0° | 179.7° |
| C16 | C17 | C13 | C14 | 1.2° | 0.3° |
| C17 | C16 | N | H27 | 180.0° | 179.9° |
| C17 | C16 | N | C15 | 0.5° | 0.1° |
| C13 | C14 | C15 | H29 | 180.0° | 179.8° |
| C13 | C14 | C15 | N | 0.0° | 0.5° |
| C14 | C13 | C12 | H24 | 33.7° | 30.1° |
| C14 | C13 | C12 | H25 | 87.2° | 150.0° |
| C14 | C13 | C17 | H26 | 178.8° | 179.8° |
| C13 | C14 | C15 | H28 | 180.0° | 179.7° |
| C24 | C25 | C26 | H3 | 180.0° | 179.9° |
| C24 | C25 | C26 | C28 | 0.8° | 171.8° |
| C24 | C25 | C26 | C27 | 178.9° | 8.2° |
| C25 | C24 | H1 | H2 | 116.6° | 119.9° |
| O5 | C22 | H10 | H11 | 120.0° | 120.0° |
| O5 | C22 | H10 | H12 | 120.0° | 120.0° |
| O5 | C22 | H11 | H12 | 120.0° | 120.0° |
| C16 | N | C15 | C14 | 0.8° | 0.2° |
| N | C16 | C17 | H26 | 179.5° | 179.9° |
| C16 | N | C15 | H28 | 179.2° | 180.0° |
| C14 | C15 | N | H28 | 180.0° | 179.8° |
| C25 | C26 | C28 | C27 | 179.7° | 180.0° |
| C26 | C25 | C24 | H1 | 105.1° | 7.8° |
| C26 | C25 | C24 | H2 | 12.7° | 112.1° |
| C25 | C26 | C28 | H4 | 180.0° | 90.1° |
| C25 | C26 | C28 | H5 | 60.0° | 150.0° |
| C25 | C26 | C28 | H6 | 60.0° | 30.0° |
| C25 | C26 | C27 | H7 | 180.0° | 3.7° |
| C25 | C26 | C27 | H8 | 60.0° | 116.3° |
| C25 | C26 | C27 | H9 | 60.0° | 123.7° |
| C15 | N | C16 | H27 | 179.5° | 180.0° |
| N | C15 | C14 | H29 | 180.0° | 179.7° |
| C28 | C26 | C25 | H3 | 179.2° | 8.1° |
| C26 | C28 | H4 | H5 | 120.0° | 120.0° |
| C26 | C28 | H4 | H6 | 120.0° | 120.0° |
| C26 | C28 | H5 | H6 | 120.0° | 120.0° |
| C28 | C26 | C27 | H7 | 0.3° | 176.3° |
| C28 | C26 | C27 | H8 | 119.7° | 63.7° |
| C28 | C26 | C27 | H9 | 120.3° | 56.3° |
| C27 | C26 | C25 | H3 | 1.1° | 171.9° |
| C27 | C26 | C28 | H4 | 0.2° | 90.0° |
| C27 | C26 | C28 | H5 | 120.3° | 30.0° |
| C27 | C26 | C28 | H6 | 119.7° | 150.0° |
| C26 | C27 | H7 | H8 | 120.0° | 120.0° |
| C26 | C27 | H7 | H9 | 120.0° | 120.0° |
| C26 | C27 | H8 | H9 | 120.0° | 120.0° |
| H1 | C24 | C25 | H3 | 74.9° | 172.1° |
| H2 | C24 | C25 | H3 | 167.3° | 68.0° |
| H4 | C28 | H5 | H6 | 120.0° | 120.1° |
| H7 | C27 | H8 | H9 | 120.0° | 120.0° |
| H10 | C22 | H11 | H12 | 120.0° | 120.0° |
| H16 | C9 | C8 | H17 | 5.5° | 0.4° |
| H18 | C6 | H19 | H20 | 120.0° | 120.0° |
| H21 | C7 | H22 | H23 | 120.0° | 120.0° |
| H26 | C17 | C16 | H27 | 0.5° | 0.0° |
| H28 | C15 | C14 | H29 | 0.0° | 0.1° |
