A1AHU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C15 | sing | 1.36Å | 1.37Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| O1 | S1 | doub | 1.42Å | 1.51Å | |
| C12 | C11 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | N1 | sing | 1.40Å | 1.43Å | |
| C11 | C18 | sing | 1.53Å | 1.54Å | |
| C11 | C4 | doub | 1.36Å | 1.35Å | |
| S1 | C1 | sing | 1.81Å | 1.89Å | |
| S1 | N1 | sing | 1.66Å | 1.75Å | |
| S1 | O5 | doub | 1.42Å | 1.46Å | |
| C23 | C21 | sing | 1.51Å | 1.53Å | |
| C1 | C18 | sing | 1.56Å | 1.55Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C18 | O4 | sing | 1.47Å | 1.42Å | |
| N1 | C19 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.56Å | 1.54Å | |
| O4 | C3 | sing | 1.47Å | 1.40Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C8 | O2 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | 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 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | 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 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | 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) |
| O3 | C15 | C14 | 120.0° | 119.9° |
| O3 | C15 | C16 | 117.8° | 119.9° |
| C15 | O3 | H13 | 109.5° | 113.9° |
| C14 | C15 | C16 | 122.2° | 120.2° |
| C15 | C14 | C13 | 118.8° | 120.1° |
| C15 | C14 | H12 | 120.6° | 119.9° |
| C15 | C16 | C17 | 119.2° | 120.1° |
| C15 | C16 | H14 | 120.4° | 119.9° |
| C14 | C13 | C12 | 120.0° | 119.9° |
| C14 | C13 | H11 | 120.0° | 120.0° |
| C13 | C14 | H12 | 120.6° | 119.9° |
| C16 | C17 | C12 | 120.2° | 119.9° |
| C16 | C17 | H15 | 119.9° | 120.1° |
| C17 | C16 | H14 | 120.4° | 119.9° |
| C25 | C26 | C27 | 119.6° | 119.9° |
| C26 | C25 | C24 | 120.4° | 120.1° |
| C25 | C26 | H24 | 120.2° | 120.0° |
| C26 | C25 | H23 | 119.8° | 119.9° |
| C26 | C27 | C22 | 120.5° | 120.0° |
| C27 | C26 | H24 | 120.2° | 120.0° |
| C26 | C27 | H25 | 119.8° | 120.0° |
| C13 | C12 | C17 | 119.6° | 119.8° |
| C13 | C12 | C11 | 123.2° | 120.1° |
| C12 | C13 | H11 | 120.0° | 120.1° |
| C17 | C12 | C11 | 117.2° | 120.1° |
| C12 | C17 | H15 | 119.9° | 120.1° |
| C25 | C24 | C23 | 121.4° | 120.3° |
| C25 | C24 | H22 | 119.3° | 119.9° |
| C24 | C25 | H23 | 119.8° | 119.9° |
| C27 | C22 | C23 | 120.1° | 120.0° |
| C27 | C22 | N1 | 118.4° | 119.1° |
| C22 | C27 | H25 | 119.7° | 120.0° |
| O1 | S1 | C1 | 102.2° | 110.5° |
| O1 | S1 | N1 | 111.2° | 104.3° |
| O1 | S1 | O5 | 118.3° | 121.0° |
| C12 | C11 | C18 | 121.4° | 127.0° |
| C12 | C11 | C4 | 131.0° | 127.0° |
| C24 | C23 | C22 | 118.0° | 119.5° |
| C24 | C23 | C21 | 120.0° | 118.9° |
| C23 | C24 | H22 | 119.3° | 119.8° |
| C23 | C22 | N1 | 121.5° | 120.9° |
| C22 | C23 | C21 | 121.9° | 121.5° |
| C22 | N1 | S1 | 121.6° | 120.6° |
| C22 | N1 | C19 | 112.5° | 118.9° |
| C18 | C11 | C4 | 104.7° | 106.0° |
| C11 | C18 | C1 | 100.8° | 105.1° |
| C11 | C18 | O4 | 100.4° | 100.7° |
| C11 | C18 | H3 | 115.9° | 115.6° |
| C11 | C4 | C5 | 133.2° | 127.0° |
| C11 | C4 | C3 | 105.5° | 105.9° |
| C1 | S1 | N1 | 101.6° | 104.4° |
| C1 | S1 | O5 | 103.7° | 110.6° |
| S1 | C1 | C18 | 111.4° | 110.9° |
| S1 | C1 | C2 | 112.1° | 111.1° |
| S1 | C1 | H1 | 108.2° | 110.8° |
| N1 | S1 | O5 | 116.8° | 104.3° |
| S1 | N1 | C19 | 125.4° | 120.5° |
| C23 | C21 | C20 | 112.2° | 110.5° |
| C23 | C21 | H20 | 108.8° | 109.3° |
| C23 | C21 | H21 | 108.8° | 109.2° |
| C18 | C1 | C2 | 100.4° | 102.1° |
| C1 | C18 | O4 | 103.0° | 101.1° |
| C18 | C1 | H1 | 112.3° | 110.9° |
| C1 | C18 | H3 | 115.7° | 115.6° |
| C1 | C2 | C3 | 101.5° | 102.0° |
| C2 | C1 | H1 | 112.5° | 110.7° |
| C1 | C2 | H4 | 111.4° | 111.0° |
| C1 | C2 | H5 | 111.4° | 110.9° |
| C18 | O4 | C3 | 99.6° | 96.8° |
| O4 | C18 | H3 | 118.3° | 116.6° |
| N1 | C19 | C20 | 111.2° | 107.8° |
| N1 | C19 | H17 | 109.1° | 109.8° |
| N1 | C19 | H16 | 109.1° | 109.8° |
| C7 | C6 | C5 | 119.1° | 119.9° |
| C6 | C7 | C8 | 118.0° | 120.1° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C6 | C7 | H7 | 121.0° | 120.0° |
| C6 | C5 | C4 | 122.4° | 120.1° |
| C6 | C5 | C10 | 120.5° | 119.8° |
| C5 | C6 | H6 | 120.5° | 120.0° |
| C5 | C4 | C3 | 121.3° | 127.1° |
| C4 | C5 | C10 | 117.1° | 120.1° |
| C4 | C3 | C2 | 110.2° | 105.1° |
| C4 | C3 | O4 | 100.3° | 100.5° |
| C4 | C3 | H2 | 114.7° | 115.6° |
| C7 | C8 | O2 | 122.2° | 119.9° |
| C7 | C8 | C9 | 122.0° | 120.2° |
| C8 | C7 | H7 | 121.0° | 120.0° |
| C5 | C10 | C9 | 120.6° | 119.9° |
| C5 | C10 | H10 | 119.7° | 120.0° |
| C21 | C20 | C19 | 115.8° | 108.9° |
| C21 | C20 | H19 | 107.9° | 109.6° |
| C21 | C20 | H18 | 107.9° | 109.6° |
| C20 | C21 | H20 | 108.8° | 109.3° |
| C20 | C21 | H21 | 108.8° | 109.3° |
| C2 | C3 | O4 | 97.9° | 101.2° |
| C3 | C2 | H4 | 111.4° | 110.6° |
| C3 | C2 | H5 | 111.4° | 111.1° |
| C2 | C3 | H2 | 114.6° | 115.6° |
| O4 | C3 | H2 | 117.2° | 116.6° |
| C19 | C20 | H19 | 107.9° | 109.6° |
| C19 | C20 | H18 | 107.9° | 109.7° |
| C20 | C19 | H17 | 109.0° | 109.8° |
| C20 | C19 | H16 | 109.0° | 109.8° |
| O2 | C8 | C9 | 115.5° | 119.9° |
| C8 | O2 | H8 | 109.5° | 114.0° |
| C8 | C9 | C10 | 119.7° | 120.1° |
| C8 | C9 | H9 | 120.1° | 120.0° |
| C9 | C10 | H10 | 119.7° | 120.1° |
| C10 | C9 | H9 | 120.2° | 119.9° |
| H19 | C20 | H18 | 109.4° | 109.6° |
| H20 | C21 | H21 | 109.5° | 109.3° |
| H17 | C19 | H16 | 109.4° | 109.8° |
| H4 | C2 | H5 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C15 | C14 | C16 | 178.9° | 180.0° |
| O3 | C15 | C14 | C13 | 179.9° | 180.0° |
| O3 | C15 | C16 | C17 | 178.7° | 179.7° |
| O3 | C15 | C14 | H12 | 0.1° | 0.1° |
| O3 | C15 | C16 | H14 | 1.3° | 0.0° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C15 | C14 | C13 | C12 | 1.2° | 0.0° |
| C15 | C14 | C13 | H11 | 178.8° | 179.7° |
| C14 | C15 | C16 | H14 | 179.8° | 180.0° |
| C14 | C15 | O3 | H13 | 180.0° | 90.1° |
| C16 | C15 | C14 | C13 | 1.0° | 0.0° |
| C15 | C16 | C17 | H14 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 1.2° | 0.6° |
| C15 | C16 | C17 | H15 | 178.7° | 180.0° |
| C16 | C15 | C14 | H12 | 179.0° | 179.9° |
| C16 | C15 | O3 | H13 | 1.0° | 89.9° |
| C14 | C13 | C12 | H11 | 180.0° | 179.7° |
| C14 | C13 | C12 | C17 | 0.1° | 0.3° |
| C14 | C13 | C12 | C11 | 178.3° | 179.8° |
| C16 | C17 | C12 | C13 | 1.1° | 0.6° |
| C16 | C17 | C12 | H15 | 180.0° | 179.4° |
| C16 | C17 | C12 | C11 | 179.6° | 179.5° |
| C25 | C26 | C27 | H24 | 180.0° | 180.0° |
| C26 | C25 | C24 | H23 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 1.1° | 0.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C26 | C25 | C24 | H22 | 180.0° | 180.0° |
| C25 | C26 | C27 | H25 | 178.9° | 179.9° |
| C27 | C26 | C25 | C24 | 0.7° | 0.1° |
| C26 | C27 | C22 | H25 | 180.0° | 180.0° |
| C26 | C27 | C22 | C23 | 0.7° | 0.2° |
| C26 | C27 | C22 | N1 | 178.8° | 179.8° |
| C27 | C26 | C25 | H23 | 179.3° | 179.9° |
| C13 | C12 | C17 | C11 | 178.5° | 179.9° |
| C13 | C12 | C11 | C18 | 119.7° | 115.0° |
| C13 | C12 | C11 | C4 | 38.1° | 65.0° |
| C13 | C12 | C17 | H15 | 178.9° | 180.0° |
| C12 | C13 | C14 | H12 | 178.9° | 179.9° |
| C17 | C12 | C11 | C18 | 61.8° | 65.0° |
| C17 | C12 | C11 | C4 | 140.4° | 115.0° |
| C17 | C12 | C13 | H11 | 179.8° | 180.0° |
| C12 | C17 | C16 | H14 | 178.8° | 179.7° |
| C25 | C24 | C23 | H22 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.4° | 0.2° |
| C25 | C24 | C23 | C21 | 179.4° | 179.6° |
| C24 | C25 | C26 | H24 | 179.3° | 179.9° |
| C27 | C22 | C23 | C24 | 0.0° | 0.3° |
| C27 | C22 | C23 | N1 | 179.4° | 180.0° |
| C27 | C22 | N1 | S1 | 26.2° | 13.8° |
| C27 | C22 | C23 | C21 | 179.7° | 179.5° |
| C27 | C22 | N1 | C19 | 145.7° | 166.5° |
| C22 | C27 | C26 | H24 | 178.9° | 180.0° |
| O1 | S1 | N1 | C22 | 5.0° | 48.5° |
| O1 | S1 | C1 | N1 | 115.0° | 111.6° |
| O1 | S1 | C1 | O5 | 123.5° | 136.7° |
| O1 | S1 | N1 | O5 | 139.9° | 127.9° |
| O1 | S1 | C1 | C18 | 97.1° | 73.4° |
| O1 | S1 | C1 | C2 | 151.3° | 173.8° |
| O1 | S1 | N1 | C19 | 165.9° | 131.8° |
| O1 | S1 | C1 | H1 | 26.7° | 50.3° |
| C12 | C11 | C18 | C4 | 162.8° | 180.0° |
| C12 | C11 | C18 | C1 | 87.7° | 107.5° |
| C12 | C11 | C18 | O4 | 166.7° | 147.8° |
| C12 | C11 | C4 | C5 | 21.2° | 0.0° |
| C12 | C11 | C4 | C3 | 159.6° | 179.7° |
| C11 | C12 | C13 | H11 | 1.7° | 0.1° |
| C11 | C12 | C17 | H15 | 0.3° | 0.1° |
| C12 | C11 | C18 | H3 | 38.0° | 21.3° |
| C24 | C23 | C22 | C21 | 179.8° | 179.8° |
| C24 | C23 | C22 | N1 | 179.5° | 179.7° |
| C24 | C23 | C21 | C20 | 171.6° | 159.6° |
| C24 | C23 | C21 | H20 | 68.0° | 39.3° |
| C24 | C23 | C21 | H21 | 51.2° | 80.2° |
| C23 | C24 | C25 | H23 | 180.0° | 180.0° |
| C23 | C22 | N1 | S1 | 154.3° | 166.1° |
| C23 | C22 | N1 | C19 | 33.7° | 13.6° |
| C22 | C23 | C21 | C20 | 8.2° | 20.7° |
| C22 | C23 | C21 | H20 | 112.2° | 141.0° |
| C22 | C23 | C21 | H21 | 128.6° | 99.5° |
| C22 | C23 | C24 | H22 | 179.6° | 179.8° |
| C23 | C22 | C27 | H25 | 179.3° | 179.8° |
| C22 | N1 | S1 | C1 | 103.1° | 67.6° |
| C22 | N1 | S1 | C19 | 170.9° | 179.7° |
| C22 | N1 | S1 | O5 | 144.9° | 176.3° |
| N1 | C22 | C23 | C21 | 0.3° | 0.5° |
| C22 | N1 | C19 | C20 | 57.1° | 44.7° |
| C22 | N1 | C19 | H17 | 63.2° | 164.3° |
| C22 | N1 | C19 | H16 | 177.3° | 74.9° |
| N1 | C22 | C27 | H25 | 1.2° | 0.3° |
| C11 | C18 | C1 | S1 | 159.4° | 172.2° |
| C11 | C18 | C1 | O4 | 103.5° | 104.4° |
| C11 | C18 | C1 | H3 | 125.8° | 128.8° |
| C11 | C18 | C1 | C2 | 81.8° | 69.4° |
| C11 | C18 | O4 | H3 | 127.2° | 125.9° |
| C18 | C11 | C4 | C5 | 178.3° | 180.0° |
| C18 | C11 | C4 | C3 | 0.9° | 0.3° |
| C11 | C18 | O4 | C3 | 51.0° | 50.7° |
| C11 | C18 | C1 | H1 | 37.9° | 48.6° |
| C4 | C11 | C18 | C1 | 75.1° | 72.5° |
| C4 | C11 | C18 | O4 | 30.4° | 32.2° |
| C11 | C4 | C5 | C6 | 24.9° | 114.4° |
| C11 | C4 | C5 | C3 | 179.1° | 179.6° |
| C11 | C4 | C5 | C10 | 156.7° | 65.4° |
| C11 | C4 | C3 | C2 | 70.0° | 72.3° |
| C11 | C4 | C3 | O4 | 32.4° | 32.5° |
| C4 | C11 | C18 | H3 | 159.2° | 158.7° |
| C11 | C4 | C3 | H2 | 158.9° | 159.0° |
| C1 | S1 | N1 | O5 | 112.0° | 116.1° |
| S1 | C1 | C18 | C2 | 118.8° | 118.4° |
| S1 | C1 | C18 | H1 | 121.5° | 123.6° |
| S1 | C1 | C2 | H1 | 122.2° | 123.6° |
| S1 | C1 | C18 | O4 | 97.1° | 83.4° |
| C1 | S1 | N1 | C19 | 86.0° | 112.1° |
| S1 | C1 | C2 | C3 | 132.0° | 118.0° |
| S1 | C1 | C18 | H3 | 33.6° | 43.4° |
| S1 | C1 | C2 | H4 | 13.3° | 0.2° |
| S1 | C1 | C2 | H5 | 109.3° | 123.5° |
| N1 | S1 | C1 | C18 | 17.9° | 175.0° |
| N1 | S1 | C1 | C2 | 93.7° | 62.2° |
| S1 | N1 | C19 | C20 | 131.3° | 135.0° |
| N1 | S1 | C1 | H1 | 141.7° | 61.3° |
| S1 | N1 | C19 | H17 | 108.4° | 15.4° |
| S1 | N1 | C19 | H16 | 11.0° | 105.4° |
| O5 | S1 | C1 | C18 | 139.5° | 63.4° |
| O5 | S1 | C1 | C2 | 27.9° | 49.5° |
| O5 | S1 | N1 | C19 | 26.0° | 4.0° |
| O5 | S1 | C1 | H1 | 96.7° | 172.9° |
| C23 | C21 | C20 | H20 | 120.4° | 120.3° |
| C23 | C21 | C20 | H21 | 120.4° | 120.1° |
| C23 | C21 | C20 | C19 | 16.5° | 51.3° |
| C23 | C21 | C20 | H19 | 104.4° | 171.2° |
| C23 | C21 | C20 | H18 | 137.5° | 68.6° |
| C23 | C21 | H20 | H21 | 118.7° | 119.4° |
| C21 | C23 | C24 | H22 | 0.6° | 0.5° |
| C18 | C1 | C2 | H1 | 119.5° | 118.1° |
| C1 | C18 | O4 | H3 | 129.0° | 126.2° |
| C18 | C1 | C2 | C3 | 13.7° | 0.3° |
| C1 | C18 | O4 | C3 | 52.8° | 57.2° |
| C18 | C1 | C2 | H4 | 105.0° | 118.2° |
| C18 | C1 | C2 | H5 | 132.4° | 118.1° |
| C2 | C1 | C18 | O4 | 21.7° | 35.0° |
| C1 | C2 | C3 | C4 | 58.7° | 69.8° |
| C1 | C2 | C3 | H4 | 118.7° | 118.1° |
| C1 | C2 | C3 | H5 | 118.7° | 118.3° |
| C1 | C2 | C3 | O4 | 45.4° | 34.5° |
| C2 | C1 | C18 | H3 | 152.4° | 161.8° |
| C1 | C2 | H4 | H5 | 123.7° | 123.7° |
| C1 | C2 | C3 | H2 | 170.2° | 161.4° |
| C18 | O4 | C3 | C4 | 51.4° | 50.9° |
| C18 | O4 | C3 | C2 | 60.9° | 57.0° |
| O4 | C18 | C1 | H1 | 141.4° | 153.0° |
| C18 | O4 | C3 | H2 | 176.2° | 176.7° |
| N1 | C19 | C20 | C21 | 49.5° | 63.2° |
| N1 | C19 | C20 | H17 | 120.3° | 119.6° |
| N1 | C19 | C20 | H16 | 120.3° | 119.6° |
| N1 | C19 | C20 | H19 | 71.5° | 177.0° |
| N1 | C19 | C20 | H18 | 170.4° | 56.7° |
| N1 | C19 | H17 | H16 | 119.2° | 120.8° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 177.9° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.4° | 0.2° |
| C6 | C7 | C8 | O2 | 177.8° | 180.0° |
| C6 | C7 | C8 | C9 | 3.5° | 0.0° |
| C6 | C5 | C4 | C10 | 178.4° | 179.8° |
| C6 | C5 | C4 | C3 | 154.2° | 65.2° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C6 | C5 | C10 | C9 | 1.3° | 0.5° |
| C5 | C6 | C7 | H7 | 179.3° | 180.0° |
| C6 | C5 | C10 | H10 | 178.7° | 179.7° |
| C5 | C4 | C3 | C2 | 110.7° | 107.4° |
| C5 | C4 | C3 | O4 | 146.9° | 147.8° |
| C4 | C5 | C10 | C9 | 179.8° | 179.7° |
| C4 | C5 | C6 | H6 | 2.0° | 0.0° |
| C4 | C5 | C10 | H10 | 0.3° | 0.1° |
| C5 | C4 | C3 | H2 | 20.4° | 21.3° |
| C3 | C4 | C5 | C10 | 24.2° | 115.0° |
| C4 | C3 | C2 | O4 | 104.1° | 104.3° |
| C4 | C3 | C2 | H2 | 131.1° | 128.7° |
| C4 | C3 | O4 | H2 | 124.8° | 125.8° |
| C4 | C3 | C2 | H4 | 177.4° | 172.1° |
| C4 | C3 | C2 | H5 | 60.0° | 48.4° |
| C7 | C8 | O2 | C9 | 174.6° | 180.0° |
| C7 | C8 | C9 | C10 | 5.3° | 0.2° |
| C8 | C7 | C6 | H6 | 179.3° | 179.9° |
| C7 | C8 | C9 | H9 | 174.7° | 180.0° |
| C7 | C8 | O2 | H8 | 180.0° | 89.9° |
| C5 | C10 | C9 | C8 | 4.1° | 0.5° |
| C5 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | C5 | C6 | H6 | 179.6° | 179.8° |
| C5 | C10 | C9 | H9 | 175.9° | 179.8° |
| C21 | C20 | C19 | H19 | 120.9° | 119.8° |
| C21 | C20 | C19 | H18 | 120.9° | 119.8° |
| C21 | C20 | H19 | H18 | 117.1° | 120.2° |
| C20 | C21 | H20 | H21 | 118.8° | 119.5° |
| C21 | C20 | C19 | H17 | 70.8° | 177.2° |
| C21 | C20 | C19 | H16 | 169.7° | 56.4° |
| C2 | C3 | O4 | H2 | 122.9° | 126.3° |
| C3 | C2 | C1 | H1 | 105.8° | 118.4° |
| C3 | C2 | H4 | H5 | 123.7° | 123.8° |
| C3 | O4 | C18 | H3 | 178.2° | 176.6° |
| O4 | C3 | C2 | H4 | 73.4° | 83.6° |
| O4 | C3 | C2 | H5 | 164.1° | 152.7° |
| C19 | C20 | H19 | H18 | 117.1° | 120.4° |
| C19 | C20 | C21 | H20 | 136.9° | 171.6° |
| C19 | C20 | C21 | H21 | 103.9° | 68.8° |
| C20 | C19 | H17 | H16 | 119.2° | 120.8° |
| O2 | C8 | C9 | C10 | 179.9° | 179.8° |
| O2 | C8 | C7 | H7 | 2.2° | 0.0° |
| O2 | C8 | C9 | H9 | 0.1° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C9 | C8 | C7 | H7 | 176.5° | 180.0° |
| C8 | C9 | C10 | H10 | 175.9° | 179.7° |
| C9 | C8 | O2 | H8 | 5.4° | 90.1° |
| H6 | C6 | C7 | H7 | 0.7° | 0.1° |
| H10 | C10 | C9 | H9 | 4.1° | 0.1° |
| H11 | C13 | C14 | H12 | 1.1° | 0.2° |
| H15 | C17 | C16 | H14 | 1.3° | 0.3° |
| H19 | C20 | C21 | H20 | 16.0° | 68.5° |
| H19 | C20 | C21 | H21 | 135.2° | 51.0° |
| H19 | C20 | C19 | H17 | 168.2° | 57.4° |
| H19 | C20 | C19 | H16 | 48.8° | 63.4° |
| H18 | C20 | C21 | H20 | 102.1° | 51.7° |
| H18 | C20 | C21 | H21 | 17.1° | 171.2° |
| H18 | C20 | C19 | H17 | 50.1° | 62.9° |
| H18 | C20 | C19 | H16 | 69.3° | 176.3° |
| H22 | C24 | C25 | H23 | 0.0° | 0.0° |
| H24 | C26 | C25 | H23 | 0.7° | 0.1° |
| H24 | C26 | C27 | H25 | 1.1° | 0.0° |
| H1 | C1 | C18 | H3 | 87.9° | 80.2° |
| H1 | C1 | C2 | H4 | 135.4° | 123.7° |
| H1 | C1 | C2 | H5 | 12.9° | 0.0° |
| H4 | C2 | C3 | H2 | 51.5° | 43.3° |
| H5 | C2 | C3 | H2 | 71.1° | 80.3° |
