2I0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.42Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.48Å | |
| N1 | C7 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.46Å | 1.45Å | Aromatic |
| C11 | C10 | sing | 1.55Å | 1.53Å | |
| C11 | C12 | sing | 1.55Å | 1.52Å | |
| C10 | N | sing | 1.46Å | 1.50Å | |
| C10 | C13 | sing | 1.54Å | 1.53Å | |
| N | C9 | sing | 1.34Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C8 | C17 | sing | 1.48Å | 1.47Å | |
| N4 | C17 | doub | 1.33Å | 1.33Å | Aromatic |
| N4 | C24 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | N2 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.42Å | 1.43Å | Aromatic |
| C24 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | C14 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.42Å | 1.41Å | Aromatic |
| N3 | C23 | sing | 1.34Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C14 | O1 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.37Å | 1.36Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | O3 | sing | 1.36Å | 1.37Å | |
| C26 | O3 | sing | 1.43Å | 1.43Å | |
| C22 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | C25 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 117.9° | 117.1° |
| O | C | H21 | 109.5° | 109.5° |
| O | C | H22 | 109.4° | 109.4° |
| O | C | H23 | 109.5° | 109.5° |
| O | C1 | C2 | 131.7° | 120.0° |
| O | C1 | C6 | 107.3° | 120.0° |
| C2 | C1 | C6 | 121.0° | 120.0° |
| C1 | C2 | C3 | 118.9° | 120.2° |
| C1 | C2 | H1 | 120.5° | 119.9° |
| C1 | C6 | C5 | 119.9° | 119.8° |
| C1 | C6 | H20 | 120.1° | 120.2° |
| C2 | C3 | C4 | 120.4° | 120.2° |
| C3 | C2 | H1 | 120.5° | 119.9° |
| C2 | C3 | H2 | 119.8° | 119.9° |
| C6 | C5 | C4 | 119.3° | 119.8° |
| C6 | C5 | C7 | 117.4° | 120.1° |
| C5 | C6 | H20 | 120.0° | 120.1° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | H2 | 119.8° | 119.9° |
| C3 | C4 | H19 | 119.8° | 120.0° |
| C4 | C5 | C7 | 123.2° | 120.1° |
| C5 | C4 | H19 | 119.8° | 120.0° |
| C5 | C7 | N1 | 117.4° | 126.5° |
| C5 | C7 | C8 | 131.0° | 126.5° |
| C7 | N1 | N | 104.2° | 108.8° |
| N1 | C7 | C8 | 111.2° | 107.0° |
| N1 | N | C10 | 118.0° | 125.3° |
| N1 | N | C9 | 113.2° | 109.5° |
| C7 | C8 | C9 | 104.1° | 106.6° |
| C7 | C8 | C17 | 129.7° | 126.7° |
| C10 | C11 | C12 | 102.5° | 101.6° |
| C11 | C10 | N | 108.4° | 110.7° |
| C11 | C10 | C13 | 102.2° | 102.9° |
| C11 | C10 | H4 | 110.5° | 110.8° |
| C10 | C11 | H5 | 111.2° | 111.0° |
| C10 | C11 | H6 | 111.2° | 110.9° |
| C11 | C12 | N2 | 103.2° | 104.9° |
| C12 | C11 | H5 | 111.2° | 111.1° |
| C12 | C11 | H6 | 111.2° | 111.0° |
| C11 | C12 | H7 | 111.0° | 110.3° |
| C11 | C12 | H8 | 111.0° | 110.4° |
| N | C10 | C13 | 113.7° | 110.7° |
| C10 | N | C9 | 128.8° | 125.3° |
| N | C10 | H4 | 111.0° | 110.7° |
| C10 | C13 | N2 | 105.3° | 107.3° |
| C13 | C10 | H4 | 110.6° | 110.7° |
| C10 | C13 | H9 | 110.5° | 109.8° |
| C10 | C13 | H10 | 110.5° | 109.9° |
| N | C9 | C8 | 107.3° | 108.1° |
| N | C9 | H3 | 126.3° | 125.9° |
| C9 | C8 | C17 | 126.2° | 126.7° |
| C8 | C9 | H3 | 126.3° | 126.0° |
| C8 | C17 | N4 | 115.8° | 120.9° |
| C8 | C17 | C18 | 120.7° | 120.9° |
| C17 | N4 | C24 | 116.4° | 121.5° |
| N4 | C17 | C18 | 122.2° | 118.2° |
| N4 | C24 | N3 | 128.6° | 123.0° |
| N4 | C24 | H18 | 115.7° | 118.5° |
| C13 | N2 | C12 | 110.2° | 108.7° |
| C13 | N2 | C14 | 126.8° | 125.6° |
| N2 | C13 | H9 | 110.5° | 109.9° |
| N2 | C13 | H10 | 110.5° | 109.9° |
| C12 | N2 | C14 | 123.0° | 125.7° |
| N2 | C12 | H7 | 111.1° | 110.4° |
| N2 | C12 | H8 | 111.0° | 110.4° |
| C17 | C18 | C19 | 126.1° | 122.0° |
| C17 | C18 | C23 | 115.3° | 118.2° |
| C24 | N3 | C23 | 115.0° | 120.5° |
| N3 | C24 | H18 | 115.7° | 118.5° |
| N2 | C14 | C15 | 118.1° | 120.0° |
| N2 | C14 | O1 | 120.8° | 120.0° |
| C19 | C18 | C23 | 118.6° | 119.9° |
| C18 | C19 | C20 | 121.0° | 119.7° |
| C18 | C19 | H16 | 119.5° | 120.2° |
| C18 | C23 | N3 | 122.3° | 118.7° |
| C18 | C23 | C22 | 119.4° | 119.5° |
| N3 | C23 | C22 | 118.2° | 121.8° |
| C15 | C14 | O1 | 121.1° | 120.0° |
| C14 | C15 | C16 | 121.6° | 109.5° |
| C14 | C15 | H11 | 106.3° | 109.5° |
| C14 | C15 | H12 | 106.4° | 109.5° |
| C19 | C20 | C21 | 120.1° | 120.7° |
| C19 | C20 | O3 | 125.2° | 119.7° |
| C20 | C19 | H16 | 119.5° | 120.1° |
| C23 | C22 | C21 | 120.6° | 119.5° |
| C23 | C22 | H17 | 119.7° | 120.3° |
| C16 | C15 | H11 | 106.3° | 109.5° |
| C16 | C15 | H12 | 106.4° | 109.5° |
| C15 | C16 | H13 | 109.5° | 109.4° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C21 | C20 | O3 | 114.7° | 119.6° |
| C20 | C21 | C22 | 120.2° | 120.7° |
| C20 | C21 | O2 | 114.5° | 119.6° |
| C20 | O3 | C26 | 118.3° | 117.0° |
| O3 | C26 | H27 | 109.5° | 109.5° |
| O3 | C26 | H28 | 109.5° | 109.4° |
| O3 | C26 | H29 | 109.5° | 109.5° |
| C22 | C21 | O2 | 125.3° | 119.7° |
| C21 | C22 | H17 | 119.7° | 120.2° |
| C21 | O2 | C25 | 118.3° | 117.0° |
| O2 | C25 | H24 | 109.5° | 109.5° |
| O2 | C25 | H25 | 109.5° | 109.5° |
| O2 | C25 | H26 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 110.9° |
| H7 | C12 | H8 | 109.5° | 110.4° |
| H9 | C13 | H10 | 109.4° | 110.0° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.4° | 109.5° |
| H13 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H21 | C | H22 | 109.5° | 109.5° |
| H21 | C | H23 | 109.4° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.4° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H27 | C26 | H29 | 109.4° | 109.4° |
| H28 | C26 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 1.2° | 0.0° |
| C | O | C1 | C6 | 178.4° | 179.8° |
| O | C | H21 | H22 | 120.0° | 120.0° |
| O | C | H21 | H23 | 120.0° | 120.0° |
| O | C | H22 | H23 | 120.0° | 119.9° |
| O | C1 | C2 | C6 | 179.6° | 179.7° |
| O | C1 | C2 | C3 | 179.0° | 179.7° |
| O | C1 | C6 | C5 | 178.9° | 179.7° |
| O | C1 | C2 | H1 | 1.0° | 0.3° |
| O | C1 | C6 | H20 | 1.1° | 0.3° |
| C1 | O | C | H21 | 180.0° | 180.0° |
| C1 | O | C | H22 | 60.0° | 60.0° |
| C1 | O | C | H23 | 60.0° | 60.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.4° | 0.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H2 | 179.6° | 180.0° |
| C2 | C1 | C6 | H20 | 178.6° | 180.0° |
| C6 | C1 | C2 | C3 | 1.4° | 0.0° |
| C1 | C6 | C5 | H20 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | C7 | 178.7° | 180.0° |
| C6 | C1 | C2 | H1 | 178.6° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.1° |
| C2 | C3 | C4 | H19 | 179.3° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.1° |
| C6 | C5 | C4 | C7 | 179.0° | 179.9° |
| C6 | C5 | C7 | N1 | 36.3° | 41.6° |
| C6 | C5 | C7 | C8 | 135.7° | 138.8° |
| C6 | C5 | C4 | H19 | 179.3° | 179.9° |
| C3 | C4 | C5 | H19 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 179.7° | 180.0° |
| C4 | C3 | C2 | H1 | 179.6° | 179.9° |
| C4 | C5 | C7 | N1 | 142.7° | 138.5° |
| C4 | C5 | C7 | C8 | 45.3° | 41.1° |
| C5 | C4 | C3 | H2 | 179.3° | 180.0° |
| C4 | C5 | C6 | H20 | 179.6° | 180.0° |
| C5 | C7 | N1 | C8 | 173.5° | 179.7° |
| C5 | C7 | N1 | N | 174.7° | 179.7° |
| C5 | C7 | C8 | C9 | 173.5° | 179.7° |
| C5 | C7 | C8 | C17 | 4.6° | 0.3° |
| C7 | C5 | C4 | H19 | 0.3° | 0.0° |
| C7 | C5 | C6 | H20 | 1.3° | 0.0° |
| C7 | N1 | N | C10 | 176.6° | 180.0° |
| C7 | N1 | N | C9 | 0.7° | 0.0° |
| N1 | C7 | C8 | C9 | 1.1° | 0.0° |
| N1 | C7 | C8 | C17 | 177.0° | 180.0° |
| N | N1 | C7 | C8 | 1.1° | 0.0° |
| N1 | N | C10 | C11 | 69.9° | 151.4° |
| N1 | N | C10 | C9 | 176.8° | 179.9° |
| N1 | N | C10 | C13 | 177.2° | 95.0° |
| N1 | N | C9 | C8 | 0.0° | 0.1° |
| N1 | N | C9 | H3 | 180.0° | 179.9° |
| N1 | N | C10 | H4 | 51.7° | 28.1° |
| C7 | C8 | C9 | N | 0.6° | 0.0° |
| C7 | C8 | C9 | C17 | 178.3° | 180.0° |
| C7 | C8 | C17 | N4 | 53.5° | 48.9° |
| C7 | C8 | C17 | C18 | 138.9° | 131.1° |
| C7 | C8 | C9 | H3 | 179.4° | 180.0° |
| C10 | C11 | C12 | H5 | 118.9° | 118.1° |
| C10 | C11 | C12 | H6 | 118.9° | 118.0° |
| C11 | C10 | N | C13 | 112.9° | 113.5° |
| C11 | C10 | N | H4 | 121.6° | 123.3° |
| C11 | C10 | C13 | H4 | 117.7° | 118.5° |
| C11 | C10 | N | C9 | 107.0° | 28.5° |
| C11 | C10 | C13 | N2 | 27.6° | 22.1° |
| C10 | C11 | C12 | N2 | 37.1° | 36.9° |
| C10 | C11 | H5 | H6 | 123.2° | 123.8° |
| C10 | C11 | C12 | H7 | 156.1° | 81.9° |
| C10 | C11 | C12 | H8 | 81.8° | 155.9° |
| C11 | C10 | C13 | H9 | 147.0° | 97.3° |
| C11 | C10 | C13 | H10 | 91.7° | 141.6° |
| C12 | C11 | C10 | N | 80.6° | 153.8° |
| C12 | C11 | C10 | C13 | 39.8° | 35.4° |
| C11 | C12 | N2 | C13 | 20.4° | 24.1° |
| C11 | C12 | N2 | H7 | 119.0° | 118.8° |
| C11 | C12 | N2 | H8 | 119.0° | 118.9° |
| C11 | C12 | N2 | C14 | 158.5° | 156.0° |
| C12 | C11 | C10 | H4 | 157.6° | 83.0° |
| C12 | C11 | H5 | H6 | 123.2° | 123.9° |
| C11 | C12 | H7 | H8 | 122.9° | 122.2° |
| N | C10 | C13 | H4 | 125.7° | 123.1° |
| C10 | N | C9 | C8 | 176.9° | 180.0° |
| N | C10 | C13 | N2 | 89.0° | 140.5° |
| C10 | N | C9 | H3 | 3.1° | 0.0° |
| N | C10 | C11 | H5 | 160.6° | 88.0° |
| N | C10 | C11 | H6 | 38.3° | 35.8° |
| N | C10 | C13 | H9 | 30.4° | 21.1° |
| N | C10 | C13 | H10 | 151.7° | 100.0° |
| C13 | C10 | N | C9 | 6.0° | 85.0° |
| C10 | C13 | N2 | H9 | 119.4° | 119.3° |
| C10 | C13 | N2 | H10 | 119.4° | 119.4° |
| C10 | C13 | N2 | C12 | 4.7° | 1.1° |
| C10 | C13 | N2 | C14 | 176.4° | 179.0° |
| C13 | C10 | C11 | H5 | 79.1° | 153.6° |
| C13 | C10 | C11 | H6 | 158.7° | 82.6° |
| C10 | C13 | H9 | H10 | 121.9° | 121.0° |
| N | C9 | C8 | H3 | 180.0° | 180.0° |
| N | C9 | C8 | C17 | 177.6° | 180.0° |
| C9 | N | C10 | H4 | 131.5° | 151.8° |
| C9 | C8 | C17 | N4 | 124.3° | 131.1° |
| C9 | C8 | C17 | C18 | 43.3° | 48.9° |
| C8 | C17 | N4 | C18 | 167.4° | 180.0° |
| C8 | C17 | N4 | C24 | 172.2° | 180.0° |
| C8 | C17 | C18 | C19 | 9.7° | 0.0° |
| C8 | C17 | C18 | C23 | 171.6° | 179.5° |
| C17 | C8 | C9 | H3 | 2.4° | 0.0° |
| C17 | N4 | C24 | N3 | 0.5° | 0.8° |
| N4 | C17 | C18 | C19 | 176.6° | 179.9° |
| N4 | C17 | C18 | C23 | 4.8° | 0.5° |
| C17 | N4 | C24 | H18 | 179.5° | 179.8° |
| C24 | N4 | C17 | C18 | 4.8° | 0.0° |
| N4 | C24 | N3 | H18 | 180.0° | 179.0° |
| N4 | C24 | N3 | C23 | 3.4° | 1.0° |
| C13 | N2 | C12 | C14 | 178.9° | 179.9° |
| C13 | N2 | C14 | C15 | 0.6° | 180.0° |
| C13 | N2 | C14 | O1 | 179.0° | 0.1° |
| N2 | C13 | C10 | H4 | 145.3° | 96.3° |
| C13 | N2 | C12 | H7 | 139.4° | 94.7° |
| C13 | N2 | C12 | H8 | 98.5° | 143.0° |
| N2 | C13 | H9 | H10 | 121.9° | 121.2° |
| C12 | N2 | C14 | C15 | 178.1° | 0.1° |
| C12 | N2 | C14 | O1 | 0.2° | 180.0° |
| N2 | C12 | C11 | H5 | 81.8° | 155.1° |
| N2 | C12 | C11 | H6 | 156.0° | 81.0° |
| N2 | C12 | H7 | H8 | 122.9° | 122.3° |
| C12 | N2 | C13 | H9 | 124.1° | 120.4° |
| C12 | N2 | C13 | H10 | 114.7° | 118.3° |
| C17 | C18 | C19 | C23 | 178.6° | 179.4° |
| C17 | C18 | C23 | N3 | 0.7° | 0.3° |
| C17 | C18 | C19 | C20 | 176.8° | 180.0° |
| C17 | C18 | C23 | C22 | 176.5° | 180.0° |
| C17 | C18 | C19 | H16 | 3.1° | 0.3° |
| C24 | N3 | C23 | C18 | 3.1° | 0.5° |
| C24 | N3 | C23 | C22 | 179.8° | 179.3° |
| N2 | C14 | C15 | O1 | 178.4° | 179.9° |
| N2 | C14 | C15 | C16 | 179.9° | 180.0° |
| C14 | N2 | C12 | H7 | 39.5° | 85.2° |
| C14 | N2 | C12 | H8 | 82.5° | 37.1° |
| C14 | N2 | C13 | H9 | 57.1° | 59.6° |
| C14 | N2 | C13 | H10 | 64.2° | 61.6° |
| N2 | C14 | C15 | H11 | 58.5° | 60.0° |
| N2 | C14 | C15 | H12 | 58.1° | 59.9° |
| C19 | C18 | C23 | N3 | 179.4° | 179.7° |
| C18 | C19 | C20 | H16 | 180.0° | 179.7° |
| C19 | C18 | C23 | C22 | 2.2° | 0.6° |
| C18 | C19 | C20 | C21 | 1.3° | 0.3° |
| C18 | C19 | C20 | O3 | 178.6° | 179.7° |
| C18 | C23 | N3 | C22 | 177.2° | 179.7° |
| C23 | C18 | C19 | C20 | 1.7° | 0.6° |
| C18 | C23 | C22 | C21 | 2.4° | 0.3° |
| C23 | C18 | C19 | H16 | 178.3° | 179.8° |
| C18 | C23 | C22 | H17 | 177.6° | 179.7° |
| N3 | C23 | C22 | C21 | 179.7° | 180.0° |
| N3 | C23 | C22 | H17 | 0.3° | 0.0° |
| C23 | N3 | C24 | H18 | 176.6° | 180.0° |
| C14 | C15 | C16 | H11 | 121.7° | 120.1° |
| C14 | C15 | C16 | H12 | 121.7° | 120.1° |
| C14 | C15 | H11 | H12 | 114.5° | 120.0° |
| C14 | C15 | C16 | H13 | 180.0° | 60.0° |
| C14 | C15 | C16 | H14 | 60.0° | 180.0° |
| C14 | C15 | C16 | H15 | 60.0° | 60.0° |
| O1 | C14 | C15 | C16 | 1.5° | 0.0° |
| O1 | C14 | C15 | H11 | 123.2° | 120.0° |
| O1 | C14 | C15 | H12 | 120.2° | 120.0° |
| C19 | C20 | C21 | O3 | 179.9° | 180.0° |
| C19 | C20 | O3 | C26 | 3.4° | 0.0° |
| C19 | C20 | C21 | C22 | 1.5° | 0.0° |
| C19 | C20 | C21 | O2 | 179.8° | 180.0° |
| C23 | C22 | C21 | C20 | 2.0° | 0.0° |
| C23 | C22 | C21 | H17 | 180.0° | 180.0° |
| C23 | C22 | C21 | O2 | 179.9° | 180.0° |
| C16 | C15 | H11 | H12 | 114.5° | 119.9° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.1° |
| C21 | C20 | O3 | C26 | 176.5° | 180.0° |
| C20 | C21 | C22 | O2 | 178.1° | 180.0° |
| C20 | C21 | O2 | C25 | 172.8° | 180.0° |
| C21 | C20 | C19 | H16 | 178.7° | 180.0° |
| C20 | C21 | C22 | H17 | 178.0° | 180.0° |
| O3 | C20 | C21 | C22 | 178.4° | 180.0° |
| O3 | C20 | C21 | O2 | 0.1° | 0.0° |
| O3 | C20 | C19 | H16 | 1.4° | 0.0° |
| C20 | O3 | C26 | H27 | 180.0° | 60.0° |
| C20 | O3 | C26 | H28 | 60.0° | 180.0° |
| C20 | O3 | C26 | H29 | 60.0° | 60.0° |
| O3 | C26 | H27 | H28 | 120.0° | 120.0° |
| O3 | C26 | H27 | H29 | 120.0° | 120.0° |
| O3 | C26 | H28 | H29 | 120.0° | 120.0° |
| C22 | C21 | O2 | C25 | 5.4° | 0.1° |
| O2 | C21 | C22 | H17 | 0.1° | 0.0° |
| C21 | O2 | C25 | H24 | 180.0° | 60.0° |
| C21 | O2 | C25 | H25 | 60.0° | 60.0° |
| C21 | O2 | C25 | H26 | 60.0° | 180.0° |
| O2 | C25 | H24 | H25 | 120.0° | 120.0° |
| O2 | C25 | H24 | H26 | 120.0° | 120.0° |
| O2 | C25 | H25 | H26 | 120.0° | 120.0° |
| H1 | C2 | C3 | H2 | 0.3° | 0.0° |
| H2 | C3 | C4 | H19 | 0.7° | 0.0° |
| H4 | C10 | C11 | H5 | 38.7° | 35.2° |
| H4 | C10 | C11 | H6 | 83.6° | 159.0° |
| H4 | C10 | C13 | H9 | 95.3° | 144.3° |
| H4 | C10 | C13 | H10 | 26.0° | 23.1° |
| H5 | C11 | C12 | H7 | 37.3° | 36.3° |
| H5 | C11 | C12 | H8 | 159.3° | 86.0° |
| H6 | C11 | C12 | H7 | 85.0° | 160.2° |
| H6 | C11 | C12 | H8 | 37.0° | 37.9° |
| H11 | C15 | C16 | H13 | 58.4° | 60.1° |
| H11 | C15 | C16 | H14 | 178.3° | 59.9° |
| H11 | C15 | C16 | H15 | 61.7° | 180.0° |
| H12 | C15 | C16 | H13 | 58.3° | 180.0° |
| H12 | C15 | C16 | H14 | 61.7° | 60.0° |
| H12 | C15 | C16 | H15 | 178.3° | 60.1° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
| H21 | C | H22 | H23 | 119.9° | 120.0° |
| H24 | C25 | H25 | H26 | 120.0° | 120.0° |
| H27 | C26 | H28 | H29 | 120.0° | 120.0° |
