7U1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C21 | sing | 1.48Å | 1.52Å | |
| C21 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C16 | O3 | doub | 1.22Å | 1.23Å | |
| C16 | N | sing | 1.35Å | 1.31Å | |
| C7 | O | sing | 1.43Å | 1.43Å | |
| O | C | sing | 1.36Å | 1.37Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | N | sing | 1.47Å | 1.44Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C13 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | C12 | doub | 1.21Å | 1.25Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | O1 | sing | 1.34Å | 1.24Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| O1 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 122.1° | 120.3° |
| C27 | C26 | C25 | 118.7° | 120.1° |
| C27 | C26 | H27 | 120.6° | 119.9° |
| C26 | C27 | H28 | 119.0° | 119.8° |
| C27 | C28 | C24 | 119.0° | 120.2° |
| C27 | C28 | H29 | 120.5° | 119.9° |
| C28 | C27 | H28 | 118.9° | 119.9° |
| C26 | C25 | C23 | 120.0° | 119.8° |
| C25 | C26 | H27 | 120.6° | 119.9° |
| C26 | C25 | H26 | 120.0° | 120.1° |
| C28 | C24 | C23 | 120.2° | 119.8° |
| C28 | C24 | H25 | 119.9° | 120.1° |
| C24 | C28 | H29 | 120.5° | 119.9° |
| C25 | C23 | C24 | 119.9° | 119.8° |
| C25 | C23 | C21 | 119.8° | 120.1° |
| C23 | C25 | H26 | 120.0° | 120.1° |
| C24 | C23 | C21 | 120.2° | 120.1° |
| C23 | C24 | H25 | 119.9° | 120.0° |
| C23 | C21 | C20 | 119.6° | 119.9° |
| C23 | C21 | C22 | 120.6° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.1° |
| C21 | C20 | C19 | 119.0° | 120.0° |
| C21 | C20 | H23 | 120.5° | 120.0° |
| C21 | C22 | C18 | 121.5° | 120.0° |
| C21 | C22 | H24 | 119.3° | 120.0° |
| C20 | C19 | C17 | 120.3° | 120.0° |
| C19 | C20 | H23 | 120.5° | 120.0° |
| C20 | C19 | H22 | 119.8° | 120.0° |
| C22 | C18 | C17 | 118.3° | 120.1° |
| C18 | C22 | H24 | 119.2° | 120.1° |
| C22 | C18 | H21 | 120.9° | 120.0° |
| C19 | C17 | C18 | 121.0° | 119.9° |
| C19 | C17 | C16 | 118.9° | 120.0° |
| C17 | C19 | H22 | 119.9° | 119.9° |
| C18 | C17 | C16 | 120.0° | 120.1° |
| C17 | C18 | H21 | 120.8° | 120.0° |
| C17 | C16 | O3 | 115.2° | 120.0° |
| C17 | C16 | N | 124.8° | 120.0° |
| C7 | C8 | C9 | 111.4° | 109.5° |
| C8 | C7 | O | 108.0° | 109.4° |
| C8 | C7 | H7 | 109.8° | 109.5° |
| C8 | C7 | H6 | 109.8° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| C7 | C8 | H9 | 109.0° | 109.5° |
| C8 | C9 | C10 | 108.7° | 109.5° |
| C9 | C8 | H8 | 109.0° | 109.5° |
| C9 | C8 | H9 | 109.0° | 109.5° |
| C8 | C9 | H11 | 109.7° | 109.5° |
| C8 | C9 | H10 | 109.7° | 109.4° |
| C9 | C10 | C11 | 110.8° | 109.5° |
| C9 | C10 | H12 | 109.1° | 109.4° |
| C9 | C10 | H13 | 109.1° | 109.5° |
| C10 | C9 | H11 | 109.7° | 109.5° |
| C10 | C9 | H10 | 109.7° | 109.5° |
| C10 | C11 | C12 | 110.2° | 109.5° |
| C11 | C10 | H12 | 109.2° | 109.5° |
| C11 | C10 | H13 | 109.2° | 109.5° |
| C10 | C11 | H14 | 109.3° | 109.5° |
| C10 | C11 | H15 | 109.3° | 109.5° |
| O3 | C16 | N | 120.0° | 120.0° |
| C16 | N | C6 | 127.7° | 120.0° |
| C16 | N | C13 | 114.7° | 120.0° |
| C7 | O | C | 119.6° | 117.0° |
| O | C7 | H7 | 109.8° | 109.5° |
| O | C7 | H6 | 109.8° | 109.4° |
| O | C | C5 | 118.5° | 120.1° |
| O | C | C1 | 121.4° | 120.0° |
| C5 | C6 | N | 111.3° | 109.5° |
| C6 | C5 | C | 118.9° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.1° |
| C5 | C6 | H5 | 109.0° | 109.5° |
| C5 | C6 | H4 | 109.0° | 109.5° |
| C6 | N | C13 | 117.6° | 120.0° |
| N | C6 | H5 | 109.0° | 109.5° |
| N | C6 | H4 | 109.0° | 109.5° |
| C11 | C12 | O2 | 119.5° | 120.0° |
| C11 | C12 | O1 | 118.1° | 120.0° |
| C12 | C11 | H14 | 109.3° | 109.5° |
| C12 | C11 | H15 | 109.3° | 109.5° |
| C5 | C | C1 | 120.2° | 119.9° |
| C | C5 | C4 | 120.3° | 119.9° |
| C | C1 | C2 | 119.7° | 119.9° |
| C | C1 | H | 120.1° | 120.1° |
| C5 | C4 | C3 | 119.9° | 120.1° |
| C5 | C4 | H3 | 120.1° | 120.0° |
| N | C13 | C15 | 111.8° | 117.5° |
| N | C13 | C14 | 119.1° | 117.5° |
| N | C13 | H16 | 117.9° | 115.5° |
| C1 | C2 | C3 | 120.3° | 120.1° |
| C1 | C2 | H1 | 119.8° | 120.0° |
| C2 | C1 | H | 120.2° | 120.0° |
| C4 | C3 | C2 | 119.5° | 120.1° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C4 | C3 | H2 | 120.2° | 119.9° |
| O2 | C12 | O1 | 122.4° | 120.0° |
| C2 | C3 | H2 | 120.3° | 120.0° |
| C3 | C2 | H1 | 119.9° | 119.9° |
| C12 | O1 | H30 | 109.5° | 117.0° |
| C15 | C13 | C14 | 60.4° | 60.0° |
| C13 | C15 | C14 | 59.8° | 60.0° |
| C15 | C13 | H16 | 117.2° | 117.6° |
| C13 | C15 | H20 | 120.0° | 117.5° |
| C13 | C15 | H19 | 120.0° | 117.5° |
| C13 | C14 | C15 | 59.8° | 60.0° |
| C14 | C13 | H16 | 117.2° | 117.5° |
| C13 | C14 | H17 | 120.0° | 117.5° |
| C13 | C14 | H18 | 120.0° | 117.5° |
| C14 | C15 | H20 | 120.0° | 117.5° |
| C14 | C15 | H19 | 120.0° | 117.5° |
| C15 | C14 | H17 | 120.1° | 117.5° |
| C15 | C14 | H18 | 120.0° | 117.5° |
| H5 | C6 | H4 | 109.5° | 109.5° |
| H7 | C7 | H6 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.4° | 109.5° |
| H20 | C15 | H19 | 109.5° | 115.5° |
| H17 | C14 | H18 | 109.5° | 115.6° |
| H11 | C9 | H10 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H28 | 180.0° | 179.1° |
| C27 | C26 | C25 | H27 | 180.0° | 179.5° |
| C26 | C27 | C28 | C24 | 1.6° | 0.6° |
| C27 | C26 | C25 | C23 | 1.2° | 0.5° |
| C26 | C27 | C28 | H29 | 178.5° | 179.5° |
| C27 | C26 | C25 | H26 | 178.8° | 180.0° |
| C28 | C27 | C26 | C25 | 0.8° | 0.8° |
| C27 | C28 | C24 | H29 | 180.0° | 179.9° |
| C27 | C28 | C24 | C23 | 2.7° | 0.1° |
| C27 | C28 | C24 | H25 | 177.3° | 179.7° |
| C28 | C27 | C26 | H27 | 179.2° | 179.7° |
| C26 | C25 | C23 | H26 | 180.0° | 179.5° |
| C26 | C25 | C23 | C24 | 2.3° | 0.1° |
| C26 | C25 | C23 | C21 | 178.8° | 180.0° |
| C25 | C26 | C27 | H28 | 179.2° | 180.0° |
| C28 | C24 | C23 | C25 | 3.1° | 0.3° |
| C28 | C24 | C23 | H25 | 180.0° | 179.8° |
| C28 | C24 | C23 | C21 | 179.5° | 179.7° |
| C24 | C28 | C27 | H28 | 178.4° | 179.7° |
| C25 | C23 | C24 | C21 | 176.5° | 180.0° |
| C25 | C23 | C21 | C20 | 18.4° | 0.0° |
| C25 | C23 | C21 | C22 | 159.2° | 179.7° |
| C25 | C23 | C24 | H25 | 176.9° | 179.9° |
| C23 | C25 | C26 | H27 | 178.8° | 180.0° |
| C24 | C23 | C21 | C20 | 165.1° | 180.0° |
| C24 | C23 | C21 | C22 | 17.3° | 0.2° |
| C23 | C24 | C28 | H29 | 177.4° | 180.0° |
| C24 | C23 | C25 | H26 | 177.7° | 179.4° |
| C23 | C21 | C20 | C22 | 177.6° | 179.7° |
| C23 | C21 | C20 | C19 | 179.4° | 180.0° |
| C23 | C21 | C22 | C18 | 179.4° | 180.0° |
| C23 | C21 | C20 | H23 | 0.6° | 0.1° |
| C23 | C21 | C22 | H24 | 0.6° | 0.3° |
| C21 | C23 | C24 | H25 | 0.4° | 0.0° |
| C21 | C23 | C25 | H26 | 1.2° | 0.5° |
| C21 | C20 | C19 | H23 | 180.0° | 180.0° |
| C20 | C21 | C22 | C18 | 1.9° | 0.3° |
| C21 | C20 | C19 | C17 | 1.4° | 0.0° |
| C20 | C21 | C22 | H24 | 178.1° | 179.9° |
| C21 | C20 | C19 | H22 | 178.6° | 180.0° |
| C22 | C21 | C20 | C19 | 1.8° | 0.3° |
| C21 | C22 | C18 | H24 | 180.0° | 179.7° |
| C21 | C22 | C18 | C17 | 1.4° | 0.1° |
| C22 | C21 | C20 | H23 | 178.2° | 179.7° |
| C21 | C22 | C18 | H21 | 178.6° | 180.0° |
| C20 | C19 | C17 | H22 | 180.0° | 180.0° |
| C20 | C19 | C17 | C18 | 1.0° | 0.3° |
| C20 | C19 | C17 | C16 | 177.3° | 180.0° |
| C22 | C18 | C17 | C19 | 1.0° | 0.3° |
| C22 | C18 | C17 | H21 | 180.0° | 179.9° |
| C22 | C18 | C17 | C16 | 177.3° | 180.0° |
| C19 | C17 | C18 | C16 | 178.3° | 179.7° |
| C19 | C17 | C16 | O3 | 65.6° | 39.4° |
| C19 | C17 | C16 | N | 116.1° | 140.6° |
| C17 | C19 | C20 | H23 | 178.6° | 180.0° |
| C19 | C17 | C18 | H21 | 179.0° | 179.7° |
| C18 | C17 | C16 | O3 | 112.7° | 140.2° |
| C18 | C17 | C16 | N | 65.6° | 39.8° |
| C17 | C18 | C22 | H24 | 178.6° | 179.6° |
| C18 | C17 | C19 | H22 | 179.0° | 179.7° |
| C17 | C16 | O3 | N | 178.4° | 180.0° |
| C17 | C16 | N | C6 | 2.0° | 2.6° |
| C17 | C16 | N | C13 | 178.4° | 177.4° |
| C16 | C17 | C19 | H22 | 2.7° | 0.0° |
| C16 | C17 | C18 | H21 | 2.7° | 0.0° |
| C7 | C8 | C9 | H8 | 120.3° | 120.0° |
| C7 | C8 | C9 | H9 | 120.3° | 120.0° |
| C7 | C8 | C9 | C10 | 173.0° | 180.0° |
| C8 | C7 | O | H7 | 119.8° | 120.0° |
| C8 | C7 | O | H6 | 119.8° | 119.9° |
| C8 | C7 | O | C | 169.3° | 180.0° |
| C8 | C7 | H7 | H6 | 120.7° | 120.0° |
| C7 | C8 | H8 | H9 | 119.2° | 120.0° |
| C7 | C8 | C9 | H11 | 67.1° | 60.0° |
| C7 | C8 | C9 | H10 | 53.1° | 60.0° |
| C8 | C9 | C10 | H11 | 119.9° | 120.0° |
| C8 | C9 | C10 | H10 | 119.9° | 120.0° |
| C8 | C9 | C10 | C11 | 176.9° | NaN° |
| C9 | C8 | C7 | O | 63.5° | 180.0° |
| C9 | C8 | C7 | H7 | 176.7° | 60.0° |
| C9 | C8 | C7 | H6 | 56.3° | 60.0° |
| C9 | C8 | H8 | H9 | 119.1° | 120.0° |
| C8 | C9 | C10 | H12 | 56.7° | 60.0° |
| C8 | C9 | C10 | H13 | 62.9° | 60.0° |
| C8 | C9 | H11 | H10 | 120.3° | 120.0° |
| C9 | C10 | C11 | H12 | 120.2° | 120.0° |
| C9 | C10 | C11 | H13 | 120.2° | 120.0° |
| C9 | C10 | C11 | C12 | 80.2° | 180.0° |
| C10 | C9 | C8 | H8 | 52.7° | 60.0° |
| C10 | C9 | C8 | H9 | 66.7° | 60.0° |
| C9 | C10 | H12 | H13 | 119.4° | 120.0° |
| C10 | C9 | H11 | H10 | 120.4° | 120.1° |
| C9 | C10 | C11 | H14 | 159.7° | 60.0° |
| C9 | C10 | C11 | H15 | 39.9° | 60.0° |
| C10 | C11 | C12 | H14 | 120.1° | 120.0° |
| C10 | C11 | C12 | H15 | 120.1° | 120.0° |
| C10 | C11 | C12 | O2 | 87.9° | 0.0° |
| C10 | C11 | C12 | O1 | 91.5° | 180.0° |
| C11 | C10 | H12 | H13 | 119.4° | 120.0° |
| C11 | C10 | C9 | H11 | 63.2° | 60.0° |
| C11 | C10 | C9 | H10 | 57.0° | 60.0° |
| C10 | C11 | H14 | H15 | 119.7° | 120.0° |
| O3 | C16 | N | C6 | 179.8° | 177.4° |
| O3 | C16 | N | C13 | 0.2° | 2.6° |
| C16 | N | C6 | C5 | 106.1° | 129.4° |
| C16 | N | C6 | C13 | 179.7° | 180.0° |
| C16 | N | C13 | C15 | 111.4° | 52.1° |
| C16 | N | C13 | C14 | 178.7° | 16.5° |
| C16 | N | C6 | H5 | 133.6° | 9.5° |
| C16 | N | C6 | H4 | 14.2° | 110.5° |
| C16 | N | C13 | H16 | 28.8° | 162.1° |
| C7 | O | C | C5 | 178.3° | 180.0° |
| C7 | O | C | C1 | 2.1° | 0.5° |
| O | C7 | H7 | H6 | 120.7° | 120.0° |
| O | C7 | C8 | H8 | 176.3° | 60.0° |
| O | C7 | C8 | H9 | 56.8° | 60.0° |
| O | C | C5 | C6 | 0.5° | 0.0° |
| O | C | C5 | C1 | 179.6° | 179.5° |
| O | C | C5 | C4 | 178.6° | 180.0° |
| O | C | C1 | C2 | 178.6° | 179.8° |
| C | O | C7 | H7 | 49.6° | 60.0° |
| C | O | C7 | H6 | 70.9° | 60.1° |
| O | C | C1 | H | 1.4° | 0.3° |
| C5 | C6 | N | H5 | 120.3° | 120.0° |
| C5 | C6 | N | H4 | 120.3° | 120.0° |
| C6 | C5 | C | C4 | 178.2° | 180.0° |
| C6 | C5 | C | C1 | 179.9° | 179.6° |
| C5 | C6 | N | C13 | 74.2° | 50.6° |
| C6 | C5 | C4 | C3 | 179.3° | 180.0° |
| C6 | C5 | C4 | H3 | 0.7° | 0.2° |
| C5 | C6 | H5 | H4 | 119.2° | 120.0° |
| N | C6 | C5 | C | 161.6° | 103.9° |
| N | C6 | C5 | C4 | 20.2° | 76.1° |
| C6 | N | C13 | C15 | 68.3° | 127.8° |
| C6 | N | C13 | C14 | 1.0° | 163.5° |
| N | C6 | H5 | H4 | 119.1° | 120.0° |
| C6 | N | C13 | H16 | 151.5° | 17.9° |
| C11 | C12 | O2 | O1 | 179.4° | 180.0° |
| C12 | C11 | C10 | H12 | 40.0° | 60.0° |
| C12 | C11 | C10 | H13 | 159.6° | 60.0° |
| C12 | C11 | H14 | H15 | 119.7° | 120.0° |
| C11 | C12 | O1 | H30 | 179.4° | 180.0° |
| C5 | C | C1 | C2 | 1.8° | 0.7° |
| C | C5 | C4 | C3 | 1.2° | 0.0° |
| C | C5 | C4 | H3 | 178.8° | 179.7° |
| C | C5 | C6 | H5 | 41.3° | 136.1° |
| C | C5 | C6 | H4 | 78.1° | 16.1° |
| C5 | C | C1 | H | 178.2° | 179.8° |
| C1 | C | C5 | C4 | 1.8° | 0.5° |
| C | C1 | C2 | H | 180.0° | 179.5° |
| C | C1 | C2 | C3 | 1.4° | 0.5° |
| C | C1 | C2 | H1 | 178.6° | 179.5° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.7° | 0.2° |
| C4 | C5 | C6 | H5 | 140.5° | 43.8° |
| C4 | C5 | C6 | H4 | 100.1° | 163.8° |
| C5 | C4 | C3 | H2 | 179.3° | 179.7° |
| N | C13 | C15 | C14 | 112.1° | 107.4° |
| N | C13 | C15 | H16 | 140.5° | 145.1° |
| N | C13 | C14 | H16 | 152.7° | 144.9° |
| C13 | N | C6 | H5 | 46.1° | 170.6° |
| C13 | N | C6 | H4 | 165.5° | 69.4° |
| N | C13 | C15 | H20 | 2.6° | 0.0° |
| N | C13 | C15 | H19 | 138.5° | 145.0° |
| N | C13 | C14 | H17 | 150.6° | 145.0° |
| N | C13 | C14 | H18 | 9.5° | 0.1° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 179.2° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | H1 | 179.1° | 179.9° |
| O2 | C12 | C11 | H14 | 32.2° | 120.0° |
| O2 | C12 | C11 | H15 | 152.0° | 120.0° |
| O2 | C12 | O1 | H30 | 0.0° | 0.0° |
| C2 | C3 | C4 | H3 | 179.3° | 180.0° |
| C3 | C2 | C1 | H | 178.6° | 180.0° |
| O1 | C12 | C11 | H14 | 148.4° | 60.0° |
| O1 | C12 | C11 | H15 | 28.6° | 60.0° |
| C15 | C13 | C14 | H16 | 107.4° | 107.6° |
| C13 | C15 | C14 | H20 | 109.4° | 107.5° |
| C13 | C15 | C14 | H19 | 109.4° | 107.5° |
| C13 | C15 | H20 | H19 | 144.8° | 145.7° |
| C15 | C13 | C14 | H17 | 109.4° | 107.4° |
| C15 | C13 | C14 | H18 | 109.4° | 107.4° |
| C13 | C14 | H17 | H18 | 144.9° | 145.8° |
| C14 | C15 | H20 | H19 | 144.8° | 145.7° |
| C15 | C14 | H17 | H18 | 144.9° | 145.7° |
| H3 | C4 | C3 | H2 | 0.7° | 0.0° |
| H7 | C7 | C8 | H8 | 56.5° | 60.0° |
| H7 | C7 | C8 | H9 | 63.0° | 180.0° |
| H6 | C7 | C8 | H8 | 64.0° | 179.9° |
| H6 | C7 | C8 | H9 | 176.6° | 60.0° |
| H8 | C8 | C9 | H11 | 172.6° | 179.9° |
| H8 | C8 | C9 | H10 | 67.2° | 60.0° |
| H9 | C8 | C9 | H11 | 53.2° | 60.0° |
| H9 | C8 | C9 | H10 | 173.4° | 180.0° |
| H12 | C10 | C9 | H11 | 176.6° | 180.0° |
| H12 | C10 | C9 | H10 | 63.2° | 60.0° |
| H12 | C10 | C11 | H14 | 80.1° | 179.9° |
| H12 | C10 | C11 | H15 | 160.1° | 60.0° |
| H13 | C10 | C9 | H11 | 57.0° | 60.0° |
| H13 | C10 | C9 | H10 | 177.2° | 180.0° |
| H13 | C10 | C11 | H14 | 39.5° | 60.0° |
| H13 | C10 | C11 | H15 | 80.3° | 180.0° |
| H16 | C13 | C15 | H20 | 143.2° | 145.0° |
| H16 | C13 | C15 | H19 | 2.0° | 0.0° |
| H16 | C13 | C14 | H17 | 2.1° | 0.1° |
| H16 | C13 | C14 | H18 | 143.2° | 145.0° |
| H20 | C15 | C14 | H17 | 141.2° | 145.0° |
| H20 | C15 | C14 | H18 | 0.0° | 0.0° |
| H19 | C15 | C14 | H17 | 0.0° | 0.0° |
| H19 | C15 | C14 | H18 | 141.2° | 145.0° |
| H23 | C20 | C19 | H22 | 1.4° | 0.0° |
| H24 | C22 | C18 | H21 | 1.4° | 0.3° |
| H25 | C24 | C28 | H29 | 2.7° | 0.2° |
| H27 | C26 | C25 | H26 | 1.2° | 0.5° |
| H27 | C26 | C27 | H28 | 0.8° | 0.6° |
| H29 | C28 | C27 | H28 | 1.5° | 0.4° |
| H2 | C3 | C2 | H1 | 0.8° | 0.0° |
| H1 | C2 | C1 | H | 1.4° | 0.0° |
