O3E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.36Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C29 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C29 | N3 | sing | 1.34Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C28 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.39Å | |
| C5 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C6 | sing | 1.36Å | 1.40Å | |
| C28 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| N | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| C26 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C24 | O4 | sing | 1.36Å | 1.37Å | |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N1 | sing | 1.35Å | 1.35Å | |
| O4 | C25 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | C11 | sing | 1.40Å | 1.42Å | |
| C11 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | N2 | sing | 1.37Å | 1.39Å | |
| C14 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| N2 | C15 | doub | 1.31Å | 1.30Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C21 | sing | 1.43Å | 1.41Å | |
| C15 | O3 | sing | 1.35Å | 1.37Å | |
| C21 | C22 | trip | 1.17Å | 1.19Å | |
| C22 | C23 | sing | 1.47Å | 1.47Å | |
| C16 | O3 | sing | 1.43Å | 1.48Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | 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 | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 117.9° | 117.0° |
| O | C | H26 | 109.5° | 109.5° |
| O | C | H27 | 109.5° | 109.5° |
| O | C | H28 | 109.5° | 109.5° |
| O | C1 | C2 | 113.3° | 119.6° |
| O | C1 | C30 | 125.5° | 119.6° |
| C2 | C1 | C30 | 121.3° | 120.8° |
| C1 | C2 | C3 | 120.3° | 120.7° |
| C1 | C2 | H1 | 119.8° | 119.6° |
| C1 | C30 | C29 | 119.4° | 119.6° |
| C1 | C30 | H10 | 120.3° | 120.2° |
| C2 | C3 | C4 | 120.7° | 119.9° |
| C3 | C2 | H1 | 119.8° | 119.6° |
| C2 | C3 | H2 | 119.6° | 120.1° |
| C30 | C29 | C4 | 119.5° | 119.2° |
| C30 | C29 | N3 | 118.2° | 120.9° |
| C29 | C30 | H10 | 120.3° | 120.2° |
| C3 | C4 | C29 | 118.8° | 119.8° |
| C3 | C4 | C5 | 124.3° | 121.3° |
| C4 | C3 | H2 | 119.6° | 120.0° |
| C4 | C29 | N3 | 122.3° | 120.0° |
| C29 | C4 | C5 | 117.0° | 118.9° |
| C29 | N3 | C28 | 117.7° | 121.6° |
| C4 | C5 | O1 | 113.8° | 121.0° |
| C4 | C5 | C27 | 120.2° | 118.0° |
| N3 | C28 | C27 | 125.0° | 121.8° |
| N3 | C28 | H25 | 117.5° | 119.0° |
| O1 | C5 | C27 | 125.9° | 121.0° |
| C5 | O1 | C6 | 119.6° | 118.0° |
| C5 | C27 | C28 | 117.7° | 119.8° |
| C5 | C27 | H9 | 121.1° | 120.1° |
| O1 | C6 | C7 | 118.3° | 120.4° |
| O1 | C6 | C26 | 122.5° | 120.4° |
| C28 | C27 | H9 | 121.1° | 120.1° |
| C27 | C28 | H25 | 117.5° | 119.1° |
| C6 | C7 | N | 122.4° | 120.8° |
| C7 | C6 | C26 | 119.2° | 119.1° |
| C6 | C7 | H3 | 118.8° | 119.6° |
| C7 | N | C8 | 118.7° | 121.8° |
| N | C7 | H3 | 118.8° | 119.6° |
| C6 | C26 | C24 | 119.0° | 118.3° |
| C6 | C26 | H24 | 120.5° | 120.9° |
| N | C8 | C24 | 122.1° | 120.9° |
| N | C8 | C9 | 116.4° | 119.5° |
| C26 | C24 | C8 | 118.5° | 119.1° |
| C26 | C24 | O4 | 124.6° | 120.4° |
| C24 | C26 | H24 | 120.5° | 120.8° |
| C24 | C8 | C9 | 121.5° | 119.6° |
| C8 | C24 | O4 | 117.0° | 120.5° |
| C8 | C9 | C10 | 110.0° | 109.5° |
| C8 | C9 | H4 | 109.3° | 109.5° |
| C8 | C9 | H5 | 109.3° | 109.4° |
| C24 | O4 | C25 | 117.6° | 117.0° |
| O2 | C10 | C9 | 121.5° | 120.0° |
| O2 | C10 | N1 | 123.4° | 120.0° |
| C9 | C10 | N1 | 115.1° | 120.0° |
| C10 | C9 | H4 | 109.4° | 109.5° |
| C10 | C9 | H5 | 109.3° | 109.5° |
| C10 | N1 | C11 | 126.7° | 120.0° |
| C10 | N1 | H11 | 116.6° | 120.0° |
| O4 | C25 | H21 | 109.5° | 109.5° |
| O4 | C25 | H22 | 109.4° | 109.5° |
| O4 | C25 | H23 | 109.5° | 109.4° |
| C13 | C12 | C11 | 120.5° | 120.3° |
| C12 | C13 | C14 | 120.3° | 119.7° |
| C13 | C12 | H6 | 119.8° | 119.8° |
| C12 | C13 | H7 | 119.9° | 120.2° |
| C12 | C11 | N1 | 122.2° | 119.9° |
| C12 | C11 | C20 | 119.5° | 120.2° |
| C11 | C12 | H6 | 119.8° | 119.9° |
| C13 | C14 | N2 | 117.9° | 121.2° |
| C13 | C14 | C19 | 119.4° | 119.8° |
| C14 | C13 | H7 | 119.9° | 120.1° |
| N1 | C11 | C20 | 118.3° | 119.9° |
| C11 | N1 | H11 | 116.6° | 120.0° |
| C11 | C20 | C19 | 120.7° | 119.8° |
| C11 | C20 | H8 | 119.7° | 120.1° |
| N2 | C14 | C19 | 122.7° | 119.0° |
| C14 | N2 | C15 | 118.0° | 120.1° |
| C14 | C19 | C20 | 119.7° | 120.2° |
| C14 | C19 | C16 | 120.2° | 118.6° |
| N2 | C15 | C21 | 120.9° | 119.2° |
| N2 | C15 | O3 | 125.2° | 121.6° |
| C17 | C16 | C19 | 110.9° | 109.7° |
| C17 | C16 | O3 | 99.9° | 109.7° |
| C17 | C16 | C18 | 110.7° | 109.7° |
| C16 | C17 | H12 | 109.5° | 109.4° |
| C16 | C17 | H13 | 109.4° | 109.5° |
| C16 | C17 | H14 | 109.5° | 109.5° |
| C20 | C19 | C16 | 120.0° | 121.2° |
| C19 | C20 | H8 | 119.7° | 120.1° |
| C19 | C16 | O3 | 111.1° | 108.3° |
| C19 | C16 | C18 | 112.3° | 109.6° |
| C21 | C15 | O3 | 113.9° | 119.2° |
| C15 | C21 | C22 | 177.3° | 180.0° |
| C15 | O3 | C16 | 122.6° | 117.4° |
| C21 | C22 | C23 | 178.8° | 180.0° |
| C22 | C23 | H18 | 109.5° | 109.4° |
| C22 | C23 | H19 | 109.5° | 109.5° |
| C22 | C23 | H20 | 109.4° | 109.5° |
| O3 | C16 | C18 | 111.2° | 109.7° |
| C16 | C18 | H15 | 109.5° | 109.5° |
| C16 | C18 | H16 | 109.4° | 109.4° |
| C16 | C18 | H17 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H14 | 109.4° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.4° | 109.5° |
| H18 | C23 | H20 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H21 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H26 | C | H27 | 109.5° | 109.5° |
| H26 | C | H28 | 109.4° | 109.4° |
| H27 | C | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 179.7° | 0.0° |
| C | O | C1 | C30 | 0.4° | 179.8° |
| O | C | H26 | H27 | 120.0° | 120.0° |
| O | C | H26 | H28 | 120.0° | 120.0° |
| O | C | H27 | H28 | 120.0° | 120.0° |
| O | C1 | C2 | C30 | 179.9° | 179.7° |
| O | C1 | C2 | C3 | 179.8° | 179.7° |
| O | C1 | C30 | C29 | 179.7° | 179.7° |
| O | C1 | C2 | H1 | 0.2° | 0.4° |
| O | C1 | C30 | H10 | 0.3° | 0.2° |
| C1 | O | C | H26 | 180.0° | 60.0° |
| C1 | O | C | H27 | 60.0° | 60.0° |
| C1 | O | C | H28 | 60.0° | 180.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C30 | C29 | 0.1° | 0.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C30 | H10 | 179.9° | 179.9° |
| C30 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C30 | C29 | H10 | 180.0° | 179.9° |
| C1 | C30 | C29 | C4 | 0.2° | 0.0° |
| C1 | C30 | C29 | N3 | 180.0° | 180.0° |
| C30 | C1 | C2 | H1 | 179.9° | 179.9° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C29 | 0.3° | 0.1° |
| C2 | C3 | C4 | C5 | 179.9° | 180.0° |
| C30 | C29 | C4 | C3 | 0.3° | 0.0° |
| C30 | C29 | C4 | N3 | 179.8° | 180.0° |
| C30 | C29 | C4 | C5 | 179.9° | 180.0° |
| C30 | C29 | N3 | C28 | 179.7° | 179.9° |
| C3 | C4 | C29 | C5 | 179.8° | 179.9° |
| C3 | C4 | C29 | N3 | 179.9° | 180.0° |
| C3 | C4 | C5 | O1 | 0.1° | 0.0° |
| C3 | C4 | C5 | C27 | 179.6° | 180.0° |
| C4 | C3 | C2 | H1 | 179.8° | 180.0° |
| C4 | C29 | N3 | C28 | 0.5° | 0.1° |
| C29 | C4 | C5 | O1 | 179.9° | 180.0° |
| C29 | C4 | C5 | C27 | 0.2° | 0.1° |
| C29 | C4 | C3 | H2 | 179.6° | 179.9° |
| C4 | C29 | C30 | H10 | 179.8° | 179.9° |
| N3 | C29 | C4 | C5 | 0.1° | 0.1° |
| C29 | N3 | C28 | C27 | 0.6° | 0.1° |
| N3 | C29 | C30 | H10 | 0.0° | 0.0° |
| C29 | N3 | C28 | H25 | 179.3° | 180.0° |
| C4 | C5 | O1 | C27 | 179.6° | 180.0° |
| C4 | C5 | O1 | C6 | 177.2° | 175.1° |
| C4 | C5 | C27 | C28 | 0.1° | 0.1° |
| C5 | C4 | C3 | H2 | 0.1° | 0.0° |
| C4 | C5 | C27 | H9 | 179.9° | 180.0° |
| N3 | C28 | C27 | C5 | 0.4° | 0.1° |
| N3 | C28 | C27 | H25 | 180.0° | 179.9° |
| N3 | C28 | C27 | H9 | 179.7° | 180.0° |
| O1 | C5 | C27 | C28 | 179.7° | 179.9° |
| C5 | O1 | C6 | C7 | 113.6° | 75.4° |
| C5 | O1 | C6 | C26 | 66.8° | 104.6° |
| O1 | C5 | C27 | H9 | 0.3° | 0.1° |
| C27 | C5 | O1 | C6 | 2.5° | 4.8° |
| C5 | C27 | C28 | H9 | 180.0° | 179.9° |
| C5 | C27 | C28 | H25 | 179.6° | 180.0° |
| O1 | C6 | C7 | C26 | 179.6° | 180.0° |
| O1 | C6 | C7 | N | 179.8° | 179.9° |
| O1 | C6 | C26 | C24 | 179.9° | 180.0° |
| O1 | C6 | C7 | H3 | 0.2° | 0.3° |
| O1 | C6 | C26 | H24 | 0.1° | 0.0° |
| C6 | C7 | N | H3 | 180.0° | 179.6° |
| C6 | C7 | N | C8 | 0.0° | 0.1° |
| C7 | C6 | C26 | C24 | 0.4° | 0.1° |
| C7 | C6 | C26 | H24 | 179.6° | 180.0° |
| N | C7 | C6 | C26 | 0.2° | 0.1° |
| C7 | N | C8 | C24 | 0.0° | 0.1° |
| C7 | N | C8 | C9 | 179.8° | 180.0° |
| C6 | C26 | C24 | H24 | 180.0° | 180.0° |
| C6 | C26 | C24 | C8 | 0.3° | 0.0° |
| C6 | C26 | C24 | O4 | 180.0° | 180.0° |
| C26 | C6 | C7 | H3 | 179.8° | 179.7° |
| N | C8 | C24 | C26 | 0.1° | 0.1° |
| N | C8 | C24 | C9 | 179.8° | 180.0° |
| N | C8 | C24 | O4 | 179.8° | 180.0° |
| N | C8 | C9 | C10 | 52.0° | 90.0° |
| C8 | N | C7 | H3 | 180.0° | 179.7° |
| N | C8 | C9 | H4 | 172.1° | 30.0° |
| N | C8 | C9 | H5 | 68.0° | 150.0° |
| C26 | C24 | C8 | O4 | 179.7° | 180.0° |
| C26 | C24 | C8 | C9 | 179.9° | 180.0° |
| C26 | C24 | O4 | C25 | 5.4° | 0.0° |
| C24 | C8 | C9 | C10 | 127.8° | 90.0° |
| C8 | C24 | O4 | C25 | 174.2° | 180.0° |
| C24 | C8 | C9 | H4 | 7.7° | 149.9° |
| C24 | C8 | C9 | H5 | 112.2° | 30.0° |
| C8 | C24 | C26 | H24 | 179.7° | 180.0° |
| C9 | C8 | C24 | O4 | 0.4° | 0.0° |
| C8 | C9 | C10 | O2 | 25.7° | 0.0° |
| C8 | C9 | C10 | H4 | 120.1° | 120.0° |
| C8 | C9 | C10 | H5 | 120.1° | 120.0° |
| C8 | C9 | C10 | N1 | 153.0° | 180.0° |
| C8 | C9 | H4 | H5 | 119.8° | 119.9° |
| C24 | O4 | C25 | H21 | 180.0° | 60.0° |
| C24 | O4 | C25 | H22 | 60.0° | 180.0° |
| C24 | O4 | C25 | H23 | 60.0° | 60.0° |
| O4 | C24 | C26 | H24 | 0.0° | 0.0° |
| O2 | C10 | C9 | N1 | 178.7° | 180.0° |
| O2 | C10 | N1 | C11 | 6.0° | 4.5° |
| O2 | C10 | C9 | H4 | 94.3° | 120.0° |
| O2 | C10 | C9 | H5 | 145.8° | 120.0° |
| O2 | C10 | N1 | H11 | 174.0° | 175.6° |
| C9 | C10 | N1 | C11 | 172.6° | 175.6° |
| C10 | C9 | H4 | H5 | 119.7° | 120.0° |
| C9 | C10 | N1 | H11 | 7.3° | 4.4° |
| C10 | N1 | C11 | C12 | 2.6° | 35.5° |
| C10 | N1 | C11 | H11 | 180.0° | 179.9° |
| C10 | N1 | C11 | C20 | 177.5° | 144.8° |
| N1 | C10 | C9 | H4 | 87.0° | 60.0° |
| N1 | C10 | C9 | H5 | 32.9° | 60.0° |
| O4 | C25 | H21 | H22 | 120.0° | 120.0° |
| O4 | C25 | H21 | H23 | 120.0° | 119.9° |
| O4 | C25 | H22 | H23 | 120.0° | 120.0° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | N1 | 180.0° | 179.7° |
| C13 | C12 | C11 | C20 | 0.0° | 0.1° |
| C12 | C13 | C14 | N2 | 179.9° | 180.0° |
| C12 | C13 | C14 | C19 | 0.0° | 0.1° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | N1 | C20 | 180.0° | 179.7° |
| C12 | C11 | C20 | C19 | 0.2° | 0.0° |
| C11 | C12 | C13 | H7 | 179.9° | 179.9° |
| C12 | C11 | C20 | H8 | 179.8° | 180.0° |
| C12 | C11 | N1 | H11 | 177.5° | 144.6° |
| C13 | C14 | N2 | C19 | 179.9° | 179.9° |
| C13 | C14 | N2 | C15 | 179.7° | 164.4° |
| C13 | C14 | C19 | C20 | 0.3° | 0.1° |
| C13 | C14 | C19 | C16 | 179.3° | 180.0° |
| C14 | C13 | C12 | H6 | 179.9° | 180.0° |
| N1 | C11 | C20 | C19 | 179.7° | 179.7° |
| N1 | C11 | C12 | H6 | 0.0° | 0.3° |
| N1 | C11 | C20 | H8 | 0.3° | 0.3° |
| C11 | C20 | C19 | C14 | 0.4° | 0.1° |
| C11 | C20 | C19 | H8 | 180.0° | 180.0° |
| C11 | C20 | C19 | C16 | 179.4° | 179.9° |
| C20 | C11 | C12 | H6 | 180.0° | 180.0° |
| C20 | C11 | N1 | H11 | 2.5° | 35.1° |
| N2 | C14 | C19 | C20 | 179.8° | 180.0° |
| N2 | C14 | C19 | C16 | 0.8° | 0.1° |
| C14 | N2 | C15 | C21 | 179.9° | 179.4° |
| C14 | N2 | C15 | O3 | 0.0° | 0.7° |
| N2 | C14 | C13 | H7 | 0.1° | 0.1° |
| C19 | C14 | N2 | C15 | 0.2° | 15.7° |
| C14 | C19 | C16 | C17 | 108.5° | 147.8° |
| C14 | C19 | C20 | C16 | 179.0° | 179.9° |
| C14 | C19 | C16 | O3 | 1.7° | 28.0° |
| C14 | C19 | C16 | C18 | 127.1° | 91.6° |
| C19 | C14 | C13 | H7 | 179.9° | 180.0° |
| C14 | C19 | C20 | H8 | 179.6° | 179.9° |
| N2 | C15 | C21 | O3 | 179.9° | 180.0° |
| N2 | C15 | C21 | C22 | 179.2° | 56.4° |
| N2 | C15 | O3 | C16 | 1.3° | 33.5° |
| C17 | C16 | C19 | C20 | 70.6° | 32.1° |
| C17 | C16 | C19 | O3 | 110.2° | 119.8° |
| C17 | C16 | C19 | C18 | 124.4° | 120.6° |
| C17 | C16 | O3 | C15 | 115.2° | 164.1° |
| C17 | C16 | O3 | C18 | 116.9° | 120.6° |
| C16 | C17 | H12 | H13 | 120.0° | 120.0° |
| C16 | C17 | H12 | H14 | 120.0° | 120.0° |
| C16 | C17 | H13 | H14 | 120.0° | 120.0° |
| C17 | C16 | C18 | H15 | 180.0° | 179.4° |
| C17 | C16 | C18 | H16 | 60.0° | 59.4° |
| C17 | C16 | C18 | H17 | 60.0° | 60.6° |
| C20 | C19 | C16 | O3 | 179.2° | 151.8° |
| C20 | C19 | C16 | C18 | 53.9° | 88.5° |
| C19 | C16 | O3 | C15 | 2.0° | 44.3° |
| C19 | C16 | O3 | C18 | 125.9° | 119.6° |
| C16 | C19 | C20 | H8 | 0.6° | 0.0° |
| C19 | C16 | C17 | H12 | 180.0° | 178.9° |
| C19 | C16 | C17 | H13 | 60.0° | 61.2° |
| C19 | C16 | C17 | H14 | 60.0° | 58.9° |
| C19 | C16 | C18 | H15 | 55.4° | 58.8° |
| C19 | C16 | C18 | H16 | 64.6° | 61.2° |
| C19 | C16 | C18 | H17 | 175.4° | 178.8° |
| C15 | C21 | C22 | C23 | 175.8° | 137.3° |
| C21 | C15 | O3 | C16 | 178.6° | 146.5° |
| O3 | C15 | C21 | C22 | 0.9° | 123.6° |
| C15 | O3 | C16 | C18 | 127.9° | 75.3° |
| C21 | C22 | C23 | H18 | 180.0° | 166.3° |
| C21 | C22 | C23 | H19 | 60.0° | 73.7° |
| C21 | C22 | C23 | H20 | 60.0° | 46.3° |
| C22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H20 | 120.0° | 120.0° |
| C22 | C23 | H19 | H20 | 120.0° | 120.0° |
| O3 | C16 | C17 | H12 | 62.7° | 60.0° |
| O3 | C16 | C17 | H13 | 177.3° | 180.0° |
| O3 | C16 | C17 | H14 | 57.3° | 60.0° |
| O3 | C16 | C18 | H15 | 69.8° | 60.0° |
| O3 | C16 | C18 | H16 | 170.2° | 180.0° |
| O3 | C16 | C18 | H17 | 50.2° | 60.0° |
| C18 | C16 | C17 | H12 | 54.7° | 60.6° |
| C18 | C16 | C17 | H13 | 65.3° | 59.4° |
| C18 | C16 | C17 | H14 | 174.6° | 179.4° |
| C16 | C18 | H15 | H16 | 120.0° | 120.0° |
| C16 | C18 | H15 | H17 | 120.0° | 120.0° |
| C16 | C18 | H16 | H17 | 120.0° | 120.0° |
| H1 | C2 | C3 | H2 | 0.2° | 0.0° |
| H6 | C12 | C13 | H7 | 0.1° | 0.1° |
| H9 | C27 | C28 | H25 | 0.4° | 0.1° |
| H12 | C17 | H13 | H14 | 120.0° | 120.1° |
| H15 | C18 | H16 | H17 | 120.0° | 120.0° |
| H18 | C23 | H19 | H20 | 120.0° | 120.0° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
| H26 | C | H27 | H28 | 119.9° | 120.0° |
