A1AHO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | O5 | sing | 1.43Å | 1.41Å | |
| O5 | C26 | sing | 1.36Å | 1.37Å | |
| O3 | C15 | sing | 1.36Å | 1.37Å | |
| C26 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.49Å | |
| C22 | C20 | sing | 1.53Å | 1.51Å | |
| C29 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | N1 | sing | 1.40Å | 1.41Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | N1 | sing | 1.46Å | 1.48Å | |
| N1 | S1 | sing | 1.66Å | 1.79Å | |
| C11 | C18 | sing | 1.53Å | 1.52Å | |
| C11 | C4 | doub | 1.36Å | 1.36Å | |
| C18 | C1 | sing | 1.56Å | 1.54Å | |
| C18 | O4 | sing | 1.47Å | 1.41Å | |
| C1 | S1 | sing | 1.81Å | 1.89Å | |
| C1 | C2 | sing | 1.55Å | 1.54Å | |
| S1 | O1 | doub | 1.42Å | 1.47Å | |
| S1 | O6 | doub | 1.42Å | 1.48Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| O4 | C3 | sing | 1.47Å | 1.41Å | |
| C2 | C3 | sing | 1.56Å | 1.54Å | |
| C8 | O2 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O5 | C26 | 115.3° | 117.0° |
| O5 | C27 | H25 | 109.5° | 109.5° |
| O5 | C27 | H26 | 109.5° | 109.4° |
| O5 | C27 | H27 | 109.5° | 109.5° |
| O5 | C26 | C28 | 125.2° | 120.0° |
| O5 | C26 | C25 | 114.7° | 120.0° |
| O3 | C15 | C14 | 120.5° | 119.9° |
| O3 | C15 | C16 | 118.7° | 119.8° |
| C15 | O3 | H13 | 109.5° | 114.0° |
| C28 | C26 | C25 | 120.1° | 120.0° |
| C26 | C28 | C29 | 119.7° | 120.0° |
| C26 | C28 | H28 | 120.2° | 120.0° |
| C26 | C25 | C24 | 120.2° | 120.0° |
| C26 | C25 | H24 | 119.9° | 120.0° |
| C14 | C15 | C16 | 120.9° | 120.2° |
| C15 | C14 | C13 | 119.8° | 120.1° |
| C15 | C14 | H12 | 120.1° | 119.9° |
| C15 | C16 | C17 | 119.3° | 120.1° |
| C15 | C16 | H14 | 120.4° | 120.0° |
| C28 | C29 | C23 | 120.1° | 120.0° |
| C29 | C28 | H28 | 120.1° | 120.0° |
| C28 | C29 | H29 | 120.0° | 120.0° |
| C25 | C24 | C23 | 120.0° | 120.0° |
| C25 | C24 | H23 | 120.0° | 120.0° |
| C24 | C25 | H24 | 119.9° | 120.0° |
| C14 | C13 | C12 | 119.8° | 119.9° |
| C14 | C13 | H11 | 120.1° | 120.1° |
| C13 | C14 | H12 | 120.1° | 120.0° |
| C16 | C17 | C12 | 120.6° | 119.9° |
| C16 | C17 | H15 | 119.6° | 120.0° |
| C17 | C16 | H14 | 120.3° | 119.9° |
| C21 | C22 | C20 | 61.0° | 60.0° |
| C22 | C21 | C20 | 60.3° | 60.0° |
| C22 | C21 | H20 | 119.9° | 117.5° |
| C22 | C21 | H19 | 119.9° | 117.5° |
| C21 | C22 | H22 | 119.8° | 117.5° |
| C21 | C22 | H21 | 119.8° | 117.5° |
| C22 | C20 | C21 | 58.7° | 60.0° |
| C22 | C20 | C19 | 116.5° | 117.5° |
| C22 | C20 | H18 | 116.5° | 117.4° |
| C20 | C22 | H22 | 119.8° | 117.6° |
| C20 | C22 | H21 | 119.8° | 117.5° |
| C29 | C23 | C24 | 119.9° | 119.9° |
| C29 | C23 | N1 | 121.3° | 120.0° |
| C23 | C29 | H29 | 120.0° | 120.0° |
| C24 | C23 | N1 | 118.8° | 120.0° |
| C23 | C24 | H23 | 120.0° | 120.0° |
| C13 | C12 | C17 | 119.6° | 119.8° |
| C13 | C12 | C11 | 123.2° | 120.1° |
| C12 | C13 | H11 | 120.1° | 120.0° |
| C17 | C12 | C11 | 117.2° | 120.1° |
| C12 | C17 | H15 | 119.7° | 120.1° |
| C23 | N1 | C19 | 120.5° | 120.0° |
| C23 | N1 | S1 | 119.2° | 120.0° |
| C21 | C20 | C19 | 120.5° | 117.5° |
| C21 | C20 | H18 | 116.3° | 117.4° |
| C20 | C21 | H20 | 119.9° | 117.5° |
| C20 | C21 | H19 | 120.0° | 117.5° |
| C12 | C11 | C18 | 121.2° | 127.0° |
| C12 | C11 | C4 | 133.8° | 127.0° |
| C20 | C19 | N1 | 116.9° | 109.5° |
| C19 | C20 | H18 | 116.0° | 115.6° |
| C20 | C19 | H16 | 107.6° | 109.4° |
| C20 | C19 | H17 | 107.6° | 109.4° |
| C19 | N1 | S1 | 120.2° | 120.0° |
| N1 | C19 | H16 | 107.6° | 109.6° |
| N1 | C19 | H17 | 107.6° | 109.5° |
| N1 | S1 | C1 | 104.0° | 104.5° |
| N1 | S1 | O1 | 108.3° | 104.3° |
| N1 | S1 | O6 | 107.7° | 104.3° |
| C18 | C11 | C4 | 105.0° | 106.0° |
| C11 | C18 | C1 | 108.3° | 105.1° |
| C11 | C18 | O4 | 100.8° | 100.7° |
| C11 | C18 | H3 | 115.2° | 115.6° |
| C11 | C4 | C5 | 133.7° | 127.1° |
| C11 | C4 | C3 | 104.8° | 106.0° |
| C1 | C18 | O4 | 98.3° | 101.1° |
| C18 | C1 | S1 | 110.7° | 111.1° |
| C18 | C1 | C2 | 103.1° | 102.1° |
| C18 | C1 | H1 | 112.5° | 110.7° |
| C1 | C18 | H3 | 114.8° | 115.6° |
| C18 | O4 | C3 | 99.3° | 96.9° |
| O4 | C18 | H3 | 117.3° | 116.6° |
| S1 | C1 | C2 | 110.0° | 110.9° |
| C1 | S1 | O1 | 107.5° | 110.5° |
| C1 | S1 | O6 | 108.0° | 110.5° |
| S1 | C1 | H1 | 108.1° | 110.8° |
| C1 | C2 | C3 | 99.8° | 102.0° |
| C2 | C1 | H1 | 112.5° | 110.9° |
| C1 | C2 | H5 | 111.8° | 110.9° |
| C1 | C2 | H4 | 111.8° | 110.9° |
| O1 | S1 | O6 | 120.2° | 121.0° |
| C7 | C6 | C5 | 120.2° | 119.9° |
| C6 | C7 | C8 | 119.9° | 120.1° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | H7 | 120.1° | 119.9° |
| C6 | C5 | C4 | 123.2° | 120.1° |
| C6 | C5 | C10 | 119.1° | 119.8° |
| C5 | C6 | H6 | 119.9° | 120.1° |
| C5 | C4 | C3 | 121.0° | 127.0° |
| C4 | C5 | C10 | 117.7° | 120.1° |
| C4 | C3 | O4 | 101.8° | 100.5° |
| C4 | C3 | C2 | 106.0° | 105.1° |
| C4 | C3 | H2 | 114.9° | 115.7° |
| C7 | C8 | O2 | 119.8° | 119.9° |
| C7 | C8 | C9 | 120.8° | 120.2° |
| C8 | C7 | H7 | 120.0° | 119.9° |
| C5 | C10 | C9 | 121.0° | 119.9° |
| C5 | C10 | H10 | 119.5° | 120.1° |
| O4 | C3 | C2 | 100.2° | 101.2° |
| O4 | C3 | H2 | 117.2° | 116.6° |
| C3 | C2 | H5 | 111.8° | 110.9° |
| C3 | C2 | H4 | 111.8° | 110.9° |
| C2 | C3 | H2 | 114.8° | 115.6° |
| O2 | C8 | C9 | 119.4° | 119.9° |
| C8 | O2 | H8 | 109.5° | 114.0° |
| C8 | C9 | C10 | 119.0° | 120.1° |
| C8 | C9 | H9 | 120.5° | 119.9° |
| C9 | C10 | H10 | 119.5° | 120.0° |
| C10 | C9 | H9 | 120.5° | 120.0° |
| H20 | C21 | H19 | 109.5° | 115.6° |
| H22 | C22 | H21 | 109.5° | 115.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 110.9° |
| H25 | C27 | H26 | 109.5° | 109.4° |
| H25 | C27 | H27 | 109.4° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | O5 | C26 | C28 | 16.3° | 180.0° |
| C27 | O5 | C26 | C25 | 163.4° | 0.8° |
| O5 | C27 | H25 | H26 | 120.0° | 119.9° |
| O5 | C27 | H25 | H27 | 120.0° | 120.1° |
| O5 | C27 | H26 | H27 | 120.0° | 120.0° |
| O5 | C26 | C28 | C25 | 179.7° | 179.2° |
| O5 | C26 | C28 | C29 | 180.0° | 180.0° |
| O5 | C26 | C25 | C24 | 179.7° | 179.7° |
| O5 | C26 | C28 | H28 | 0.0° | 0.7° |
| O5 | C26 | C25 | H24 | 0.3° | 0.3° |
| C26 | O5 | C27 | H25 | 180.0° | 60.1° |
| C26 | O5 | C27 | H26 | 60.0° | 180.0° |
| C26 | O5 | C27 | H27 | 60.0° | 60.0° |
| O3 | C15 | C14 | C16 | 179.9° | 179.9° |
| O3 | C15 | C14 | C13 | 179.9° | 180.0° |
| O3 | C15 | C16 | C17 | 179.8° | 179.7° |
| O3 | C15 | C14 | H12 | 0.1° | 0.1° |
| O3 | C15 | C16 | H14 | 0.2° | 0.1° |
| C26 | C28 | C29 | H28 | 180.0° | 179.3° |
| C28 | C26 | C25 | C24 | 0.0° | 0.5° |
| C26 | C28 | C29 | C23 | 0.2° | 0.5° |
| C28 | C26 | C25 | H24 | 180.0° | 179.5° |
| C26 | C28 | C29 | H29 | 179.8° | 180.0° |
| C25 | C26 | C28 | C29 | 0.3° | 0.7° |
| C26 | C25 | C24 | H24 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.3° | 0.0° |
| C26 | C25 | C24 | H23 | 179.7° | 179.7° |
| C25 | C26 | C28 | H28 | 179.7° | 179.9° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.2° |
| C15 | C14 | C13 | C12 | 0.6° | 0.1° |
| C15 | C14 | C13 | H11 | 179.4° | 179.7° |
| C14 | C15 | C16 | H14 | 179.7° | 179.9° |
| C14 | C15 | O3 | H13 | 180.0° | 90.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 0.8° | 0.4° |
| C15 | C16 | C17 | H15 | 179.2° | 180.0° |
| C16 | C15 | C14 | H12 | 179.8° | 180.0° |
| C16 | C15 | O3 | H13 | 0.1° | 90.0° |
| C28 | C29 | C23 | H29 | 180.0° | 179.5° |
| C28 | C29 | C23 | C24 | 0.1° | 0.0° |
| C28 | C29 | C23 | N1 | 179.9° | 180.0° |
| C25 | C24 | C23 | C29 | 0.4° | 0.2° |
| C25 | C24 | C23 | H23 | 180.0° | 179.7° |
| C25 | C24 | C23 | N1 | 179.6° | 179.8° |
| C14 | C13 | C12 | H11 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 1.1° | 0.2° |
| C14 | C13 | C12 | C11 | 179.7° | 179.7° |
| C16 | C17 | C12 | C13 | 1.2° | 0.4° |
| C16 | C17 | C12 | H15 | 180.0° | 179.6° |
| C16 | C17 | C12 | C11 | 179.9° | 179.5° |
| C21 | C22 | C20 | H22 | 109.8° | 107.5° |
| C21 | C22 | C20 | H21 | 109.8° | 107.4° |
| C22 | C21 | C20 | H20 | 109.5° | 107.5° |
| C22 | C21 | C20 | H19 | 109.5° | 107.5° |
| C21 | C22 | C20 | C19 | 111.2° | 107.5° |
| C21 | C22 | C20 | H18 | 106.0° | 107.5° |
| C22 | C21 | H20 | H19 | 144.5° | 145.7° |
| C21 | C22 | H22 | H21 | 144.2° | 145.6° |
| C22 | C20 | C19 | H18 | 143.0° | 145.6° |
| C22 | C20 | C19 | N1 | 114.6° | 116.3° |
| C20 | C22 | H22 | H21 | 144.1° | 145.8° |
| C22 | C20 | C19 | H16 | 124.3° | 3.8° |
| C22 | C20 | C19 | H17 | 6.5° | 123.8° |
| C29 | C23 | C24 | N1 | 179.9° | 180.0° |
| C29 | C23 | N1 | C19 | 67.0° | 120.4° |
| C29 | C23 | N1 | S1 | 115.3° | 59.8° |
| C29 | C23 | C24 | H23 | 179.6° | 179.9° |
| C23 | C29 | C28 | H28 | 179.7° | 179.8° |
| C24 | C23 | N1 | C19 | 113.0° | 59.5° |
| C24 | C23 | N1 | S1 | 64.8° | 120.2° |
| C23 | C24 | C25 | H24 | 179.6° | 180.0° |
| C24 | C23 | C29 | H29 | 179.9° | 179.5° |
| C13 | C12 | C17 | C11 | 178.7° | 179.9° |
| C13 | C12 | C11 | C18 | 116.8° | 115.1° |
| C13 | C12 | C11 | C4 | 61.9° | 64.9° |
| C13 | C12 | C17 | H15 | 178.8° | 180.0° |
| C12 | C13 | C14 | H12 | 179.4° | 180.0° |
| C17 | C12 | C11 | C18 | 61.8° | 65.0° |
| C17 | C12 | C11 | C4 | 119.4° | 115.0° |
| C17 | C12 | C13 | H11 | 178.9° | 180.0° |
| C12 | C17 | C16 | H14 | 179.2° | 179.7° |
| C23 | N1 | C19 | C20 | 51.2° | 84.8° |
| C23 | N1 | C19 | S1 | 177.7° | 179.7° |
| C23 | N1 | S1 | C1 | 37.7° | 85.1° |
| C23 | N1 | S1 | O1 | 76.4° | 30.9° |
| C23 | N1 | S1 | O6 | 152.2° | 158.8° |
| N1 | C23 | C24 | H23 | 0.4° | 0.1° |
| C23 | N1 | C19 | H16 | 172.3° | 35.3° |
| C23 | N1 | C19 | H17 | 69.8° | 155.3° |
| N1 | C23 | C29 | H29 | 0.1° | 0.5° |
| C21 | C20 | C19 | H18 | 149.4° | 145.7° |
| C21 | C20 | C19 | N1 | 177.8° | 175.0° |
| C20 | C21 | H20 | H19 | 144.6° | 145.7° |
| C21 | C20 | C19 | H16 | 56.7° | 64.9° |
| C21 | C20 | C19 | H17 | 61.2° | 55.1° |
| C12 | C11 | C18 | C4 | 179.1° | 180.0° |
| C12 | C11 | C18 | C1 | 111.4° | 107.5° |
| C12 | C11 | C18 | O4 | 146.0° | 147.8° |
| C12 | C11 | C4 | C5 | 12.2° | 0.0° |
| C12 | C11 | C4 | C3 | 176.4° | 179.8° |
| C11 | C12 | C13 | H11 | 0.3° | 0.1° |
| C11 | C12 | C17 | H15 | 0.1° | 0.1° |
| C12 | C11 | C18 | H3 | 18.8° | 21.2° |
| C20 | C19 | N1 | H16 | 121.1° | 120.0° |
| C20 | C19 | N1 | H17 | 121.1° | 119.9° |
| C20 | C19 | N1 | S1 | 131.0° | 95.0° |
| C19 | C20 | C21 | H20 | 146.2° | 0.0° |
| C19 | C20 | C21 | H19 | 5.2° | 145.0° |
| C19 | C20 | C22 | H22 | 1.4° | 145.0° |
| C19 | C20 | C22 | H21 | 139.1° | 0.1° |
| C20 | C19 | H16 | H17 | 116.6° | 119.9° |
| C19 | N1 | S1 | C1 | 144.6° | 95.2° |
| C19 | N1 | S1 | O1 | 101.3° | 148.8° |
| C19 | N1 | S1 | O6 | 30.1° | 20.9° |
| N1 | C19 | C20 | H18 | 28.4° | 29.4° |
| N1 | C19 | H16 | H17 | 116.6° | 120.0° |
| N1 | S1 | C1 | C18 | 53.9° | 169.3° |
| N1 | S1 | C1 | O1 | 114.7° | 111.6° |
| N1 | S1 | C1 | O6 | 114.3° | 111.7° |
| N1 | S1 | C1 | C2 | 167.1° | 56.5° |
| N1 | S1 | O1 | O6 | 124.2° | 116.8° |
| N1 | S1 | C1 | H1 | 69.7° | 67.2° |
| S1 | N1 | C19 | H16 | 10.0° | 145.0° |
| S1 | N1 | C19 | H17 | 107.9° | 24.9° |
| C11 | C18 | C1 | O4 | 104.4° | 104.4° |
| C11 | C18 | C1 | H3 | 130.3° | 128.7° |
| C11 | C18 | O4 | H3 | 125.9° | 126.0° |
| C11 | C18 | C1 | S1 | 173.0° | 172.3° |
| C11 | C18 | C1 | C2 | 69.4° | 69.4° |
| C18 | C11 | C4 | C5 | 166.7° | 180.0° |
| C18 | C11 | C4 | C3 | 4.7° | 0.3° |
| C11 | C18 | O4 | C3 | 51.3° | 50.7° |
| C11 | C18 | C1 | H1 | 52.0° | 48.8° |
| C4 | C11 | C18 | C1 | 67.7° | 72.6° |
| C4 | C11 | C18 | O4 | 34.9° | 32.1° |
| C11 | C4 | C5 | C6 | 46.0° | 114.4° |
| C11 | C4 | C5 | C3 | 170.3° | 179.7° |
| C11 | C4 | C5 | C10 | 135.5° | 65.3° |
| C11 | C4 | C3 | O4 | 26.8° | 32.5° |
| C11 | C4 | C3 | C2 | 77.6° | 72.3° |
| C4 | C11 | C18 | H3 | 162.2° | 158.7° |
| C11 | C4 | C3 | H2 | 154.5° | 159.0° |
| C1 | C18 | O4 | H3 | 123.6° | 126.2° |
| C18 | C1 | S1 | C2 | 113.2° | 112.9° |
| C18 | C1 | S1 | H1 | 123.6° | 123.5° |
| C18 | C1 | C2 | H1 | 121.4° | 118.0° |
| C18 | C1 | S1 | O1 | 168.6° | 79.1° |
| C18 | C1 | S1 | O6 | 60.4° | 57.7° |
| C1 | C18 | O4 | C3 | 59.3° | 57.2° |
| C18 | C1 | C2 | C3 | 0.2° | 0.3° |
| C18 | C1 | C2 | H5 | 118.6° | 118.5° |
| C18 | C1 | C2 | H4 | 118.2° | 117.9° |
| O4 | C18 | C1 | S1 | 82.6° | 83.3° |
| O4 | C18 | C1 | C2 | 34.9° | 35.0° |
| C18 | O4 | C3 | C4 | 48.5° | 50.8° |
| C18 | O4 | C3 | C2 | 60.4° | 57.1° |
| O4 | C18 | C1 | H1 | 156.3° | 153.2° |
| C18 | O4 | C3 | H2 | 174.8° | 176.7° |
| S1 | C1 | C2 | H1 | 120.6° | 123.6° |
| C1 | S1 | O1 | O6 | 124.0° | 131.5° |
| S1 | C1 | C2 | C3 | 117.8° | 118.1° |
| S1 | C1 | C18 | H3 | 42.7° | 43.6° |
| S1 | C1 | C2 | H5 | 0.6° | 0.0° |
| S1 | C1 | C2 | H4 | 123.7° | 123.7° |
| C2 | C1 | S1 | O1 | 78.2° | 168.0° |
| C2 | C1 | S1 | O6 | 52.9° | 55.2° |
| C1 | C2 | C3 | C4 | 70.9° | 69.8° |
| C1 | C2 | C3 | O4 | 34.7° | 34.5° |
| C1 | C2 | C3 | H5 | 118.4° | 118.2° |
| C1 | C2 | C3 | H4 | 118.4° | 118.2° |
| C2 | C1 | C18 | H3 | 160.2° | 161.9° |
| C1 | C2 | H5 | H4 | 124.5° | 123.7° |
| C1 | C2 | C3 | H2 | 161.1° | 161.4° |
| O1 | S1 | C1 | H1 | 44.9° | 44.4° |
| O6 | S1 | C1 | H1 | 176.0° | 178.8° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 178.8° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.3° | 0.3° |
| C6 | C7 | C8 | O2 | 179.4° | 179.9° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C5 | C4 | C10 | 178.5° | 179.7° |
| C6 | C5 | C4 | C3 | 143.7° | 65.3° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | C5 | C10 | C9 | 0.6° | 0.6° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C10 | H10 | 179.4° | 179.8° |
| C5 | C4 | C3 | O4 | 160.4° | 147.8° |
| C5 | C4 | C3 | C2 | 95.2° | 107.5° |
| C4 | C5 | C10 | C9 | 179.2° | 179.7° |
| C4 | C5 | C6 | H6 | 1.2° | 0.0° |
| C4 | C5 | C10 | H10 | 0.8° | 0.1° |
| C5 | C4 | C3 | H2 | 32.7° | 21.3° |
| C3 | C4 | C5 | C10 | 34.8° | 115.0° |
| C4 | C3 | O4 | C2 | 108.9° | 107.8° |
| C4 | C3 | O4 | H2 | 126.3° | 125.9° |
| C4 | C3 | C2 | H2 | 128.0° | 128.8° |
| C4 | C3 | C2 | H5 | 170.7° | 172.0° |
| C4 | C3 | C2 | H4 | 47.5° | 48.4° |
| C7 | C8 | O2 | C9 | 179.7° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.4° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C7 | C8 | O2 | H8 | 180.0° | 90.0° |
| C5 | C10 | C9 | C8 | 0.5° | 0.6° |
| C5 | C10 | C9 | H10 | 180.0° | 179.7° |
| C10 | C5 | C6 | H6 | 179.7° | 179.7° |
| C5 | C10 | C9 | H9 | 179.5° | 179.7° |
| O4 | C3 | C2 | H2 | 126.4° | 126.9° |
| C3 | O4 | C18 | H3 | 177.2° | 176.6° |
| O4 | C3 | C2 | H5 | 83.7° | 83.7° |
| O4 | C3 | C2 | H4 | 153.1° | 152.6° |
| C3 | C2 | C1 | H1 | 121.6° | 118.3° |
| C3 | C2 | H5 | H4 | 124.5° | 123.7° |
| O2 | C8 | C9 | C10 | 179.7° | 179.8° |
| O2 | C8 | C7 | H7 | 0.6° | 0.1° |
| O2 | C8 | C9 | H9 | 0.3° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C9 | C8 | C7 | H7 | 179.7° | 180.0° |
| C8 | C9 | C10 | H10 | 179.5° | 179.7° |
| C9 | C8 | O2 | H8 | 0.3° | 90.1° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| H10 | C10 | C9 | H9 | 0.5° | 0.1° |
| H11 | C13 | C14 | H12 | 0.6° | 0.2° |
| H15 | C17 | C16 | H14 | 0.8° | 0.1° |
| H18 | C20 | C21 | H20 | 3.1° | 145.1° |
| H18 | C20 | C21 | H19 | 144.1° | 0.1° |
| H18 | C20 | C22 | H22 | 144.2° | 0.0° |
| H18 | C20 | C22 | H21 | 3.7° | 145.1° |
| H18 | C20 | C19 | H16 | 92.7° | 149.5° |
| H18 | C20 | C19 | H17 | 149.5° | 90.6° |
| H20 | C21 | C22 | H22 | 140.7° | 145.0° |
| H20 | C21 | C22 | H21 | 0.2° | 0.1° |
| H19 | C21 | C22 | H22 | 0.2° | 0.1° |
| H19 | C21 | C22 | H21 | 140.7° | 145.0° |
| H23 | C24 | C25 | H24 | 0.3° | 0.3° |
| H28 | C28 | C29 | H29 | 0.2° | 0.7° |
| H1 | C1 | C18 | H3 | 78.4° | 80.0° |
| H1 | C1 | C2 | H5 | 120.0° | 123.6° |
| H1 | C1 | C2 | H4 | 3.2° | 0.1° |
| H5 | C2 | C3 | H2 | 42.7° | 43.2° |
| H4 | C2 | C3 | H2 | 80.5° | 80.4° |
| H25 | C27 | H26 | H27 | 119.9° | 120.0° |
