A1AHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C20 | sing | 1.43Å | 1.42Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | N1 | sing | 1.47Å | 1.47Å | |
| O7 | S1 | doub | 1.42Å | 1.47Å | |
| O4 | C18 | sing | 1.47Å | 1.42Å | |
| O4 | C3 | sing | 1.47Å | 1.42Å | |
| N1 | S1 | sing | 1.66Å | 1.79Å | |
| N1 | C21 | sing | 1.40Å | 1.41Å | |
| S1 | O1 | doub | 1.42Å | 1.46Å | |
| S1 | C1 | sing | 1.81Å | 1.89Å | |
| C18 | C1 | sing | 1.56Å | 1.54Å | |
| C18 | C11 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.56Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C21 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C11 | C4 | doub | 1.36Å | 1.36Å | |
| C11 | C12 | sing | 1.47Å | 1.48Å | |
| C4 | C5 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | O3 | sing | 1.36Å | 1.37Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | O6 | sing | 1.36Å | 1.38Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | O6 | sing | 1.43Å | 1.41Å | |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | O2 | sing | 1.36Å | 1.36Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | 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 | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| O5 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C20 | C19 | 112.6° | 109.4° |
| O5 | C20 | H18 | 108.7° | 109.5° |
| O5 | C20 | H19 | 108.7° | 109.5° |
| C20 | O5 | H20 | 109.5° | 114.0° |
| C20 | C19 | N1 | 118.3° | 109.4° |
| C20 | C19 | H17 | 107.2° | 109.5° |
| C20 | C19 | H16 | 107.2° | 109.4° |
| C19 | C20 | H18 | 108.7° | 109.4° |
| C19 | C20 | H19 | 108.7° | 109.5° |
| C19 | N1 | S1 | 122.3° | 120.0° |
| C19 | N1 | C21 | 117.3° | 120.0° |
| N1 | C19 | H17 | 107.2° | 109.5° |
| N1 | C19 | H16 | 107.2° | 109.5° |
| O7 | S1 | N1 | 111.1° | 104.3° |
| O7 | S1 | O1 | 120.0° | 121.1° |
| O7 | S1 | C1 | 109.4° | 110.6° |
| C18 | O4 | C3 | 98.4° | 97.0° |
| O4 | C18 | C1 | 98.4° | 101.1° |
| O4 | C18 | C11 | 101.5° | 100.7° |
| O4 | C18 | H3 | 117.1° | 116.6° |
| O4 | C3 | C2 | 95.9° | 101.0° |
| O4 | C3 | C4 | 102.2° | 100.7° |
| O4 | C3 | H2 | 116.7° | 116.6° |
| S1 | N1 | C21 | 120.4° | 120.0° |
| N1 | S1 | O1 | 108.5° | 104.3° |
| N1 | S1 | C1 | 100.3° | 104.4° |
| N1 | C21 | C22 | 122.3° | 120.0° |
| N1 | C21 | C27 | 118.3° | 120.0° |
| O1 | S1 | C1 | 105.7° | 110.5° |
| S1 | C1 | C18 | 107.2° | 111.0° |
| S1 | C1 | C2 | 112.7° | 110.9° |
| S1 | C1 | H1 | 108.3° | 110.9° |
| C1 | C18 | C11 | 107.8° | 105.1° |
| C18 | C1 | C2 | 103.1° | 101.9° |
| C18 | C1 | H1 | 112.5° | 111.0° |
| C1 | C18 | H3 | 114.7° | 115.6° |
| C18 | C11 | C4 | 103.2° | 105.9° |
| C18 | C11 | C12 | 122.2° | 127.0° |
| C11 | C18 | H3 | 115.3° | 115.7° |
| C16 | C17 | C12 | 120.7° | 119.9° |
| C17 | C16 | C15 | 119.9° | 120.1° |
| C17 | C16 | H14 | 120.1° | 120.0° |
| C16 | C17 | H15 | 119.7° | 120.0° |
| C17 | C12 | C11 | 119.4° | 120.1° |
| C17 | C12 | C13 | 119.0° | 119.9° |
| C12 | C17 | H15 | 119.7° | 120.1° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C22 | C21 | C27 | 119.4° | 120.0° |
| C21 | C22 | H21 | 120.1° | 120.0° |
| C22 | C23 | C24 | 120.7° | 120.0° |
| C23 | C22 | H21 | 120.0° | 120.0° |
| C22 | C23 | H22 | 119.7° | 120.0° |
| C2 | C3 | C4 | 110.7° | 105.2° |
| C3 | C2 | C1 | 98.8° | 102.0° |
| C3 | C2 | H5 | 112.1° | 110.9° |
| C3 | C2 | H4 | 112.1° | 110.9° |
| C2 | C3 | H2 | 114.5° | 115.6° |
| C3 | C4 | C11 | 106.3° | 106.0° |
| C3 | C4 | C5 | 120.1° | 127.0° |
| C4 | C3 | H2 | 114.7° | 115.6° |
| C21 | C27 | C26 | 120.5° | 120.0° |
| C21 | C27 | H27 | 119.7° | 120.1° |
| C16 | C15 | O3 | 119.6° | 119.9° |
| C16 | C15 | C14 | 120.1° | 120.2° |
| C15 | C16 | H14 | 120.0° | 120.0° |
| C1 | C2 | H5 | 112.1° | 111.0° |
| C1 | C2 | H4 | 112.1° | 110.9° |
| C2 | C1 | H1 | 112.8° | 110.9° |
| C4 | C11 | C12 | 132.2° | 127.0° |
| C11 | C4 | C5 | 132.6° | 127.0° |
| C11 | C12 | C13 | 121.6° | 120.1° |
| C4 | C5 | C6 | 123.8° | 120.1° |
| C4 | C5 | C10 | 116.5° | 120.1° |
| C12 | C13 | C14 | 120.7° | 119.8° |
| C12 | C13 | H11 | 119.6° | 120.1° |
| C23 | C24 | C26 | 119.1° | 120.1° |
| C23 | C24 | O6 | 118.2° | 120.0° |
| C24 | C23 | H22 | 119.7° | 120.0° |
| C27 | C26 | C24 | 120.4° | 120.0° |
| C27 | C26 | H26 | 119.8° | 120.0° |
| C26 | C27 | H27 | 119.8° | 120.0° |
| O3 | C15 | C14 | 120.3° | 119.9° |
| C15 | O3 | H13 | 109.5° | 114.0° |
| C15 | C14 | C13 | 119.6° | 120.2° |
| C15 | C14 | H12 | 120.2° | 119.9° |
| C6 | C5 | C10 | 119.7° | 119.8° |
| C5 | C6 | C7 | 119.9° | 119.9° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| C5 | C10 | C9 | 120.6° | 119.9° |
| C5 | C10 | H10 | 119.7° | 120.1° |
| C6 | C7 | C8 | 119.3° | 120.1° |
| C7 | C6 | H6 | 120.1° | 120.1° |
| C6 | C7 | H7 | 120.4° | 119.9° |
| C26 | C24 | O6 | 122.7° | 120.0° |
| C24 | C26 | H26 | 119.8° | 120.0° |
| C24 | O6 | C25 | 120.0° | 117.0° |
| C14 | C13 | H11 | 119.6° | 120.1° |
| C13 | C14 | H12 | 120.2° | 119.9° |
| C10 | C9 | C8 | 119.1° | 120.1° |
| C9 | C10 | H10 | 119.7° | 120.1° |
| C10 | C9 | H9 | 120.5° | 120.0° |
| C7 | C8 | C9 | 121.4° | 120.2° |
| C7 | C8 | O2 | 120.9° | 119.9° |
| C8 | C7 | H7 | 120.3° | 120.0° |
| O6 | C25 | H23 | 109.5° | 109.5° |
| O6 | C25 | H24 | 109.5° | 109.5° |
| O6 | C25 | H25 | 109.5° | 109.5° |
| C9 | C8 | O2 | 117.7° | 119.9° |
| C8 | C9 | H9 | 120.5° | 119.9° |
| C8 | O2 | H8 | 109.5° | 114.0° |
| H5 | C2 | H4 | 109.5° | 110.8° |
| H17 | C19 | H16 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H25 | 109.4° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C20 | C19 | H18 | 120.5° | 120.0° |
| O5 | C20 | C19 | H19 | 120.5° | 120.0° |
| O5 | C20 | C19 | N1 | 59.4° | 65.0° |
| O5 | C20 | C19 | H17 | 179.4° | 55.0° |
| O5 | C20 | C19 | H16 | 61.9° | 175.0° |
| O5 | C20 | H18 | H19 | 118.6° | 120.1° |
| C20 | C19 | N1 | H17 | 121.2° | 120.0° |
| C20 | C19 | N1 | H16 | 121.3° | 120.0° |
| C20 | C19 | N1 | S1 | 5.9° | 95.0° |
| C20 | C19 | N1 | C21 | 174.3° | 84.7° |
| C20 | C19 | H17 | H16 | 116.0° | 120.0° |
| C19 | C20 | H18 | H19 | 118.6° | 120.0° |
| C19 | C20 | O5 | H20 | 79.6° | 180.0° |
| C19 | N1 | S1 | O7 | 10.0° | 3.1° |
| C19 | N1 | S1 | C21 | 179.8° | 179.7° |
| C19 | N1 | S1 | O1 | 124.0° | 130.9° |
| C19 | N1 | S1 | C1 | 125.5° | 113.0° |
| C19 | N1 | C21 | C22 | 49.2° | 154.0° |
| C19 | N1 | C21 | C27 | 130.4° | 26.3° |
| N1 | C19 | H17 | H16 | 116.0° | 120.0° |
| N1 | C19 | C20 | H18 | 61.1° | 175.0° |
| N1 | C19 | C20 | H19 | 179.8° | 55.0° |
| O7 | S1 | N1 | O1 | 134.0° | 127.9° |
| O7 | S1 | N1 | C1 | 115.6° | 116.1° |
| O7 | S1 | N1 | C21 | 170.2° | 176.7° |
| O7 | S1 | O1 | C1 | 124.1° | 131.6° |
| O7 | S1 | C1 | C18 | 62.9° | 61.6° |
| O7 | S1 | C1 | C2 | 49.9° | 51.0° |
| O7 | S1 | C1 | H1 | 175.4° | 174.6° |
| O4 | C18 | C1 | S1 | 93.8° | 83.4° |
| O4 | C18 | C1 | C11 | 105.0° | 104.4° |
| O4 | C18 | C1 | H3 | 125.1° | 126.8° |
| O4 | C18 | C11 | H3 | 127.6° | 126.5° |
| C18 | O4 | C3 | C2 | 67.1° | 57.4° |
| C18 | O4 | C3 | C4 | 45.6° | 50.6° |
| O4 | C18 | C1 | C2 | 25.3° | 34.8° |
| O4 | C18 | C11 | C4 | 39.3° | 32.1° |
| O4 | C18 | C11 | C12 | 156.3° | 147.8° |
| O4 | C18 | C1 | H1 | 147.2° | 152.9° |
| C18 | O4 | C3 | H2 | 171.6° | 176.5° |
| C3 | O4 | C18 | C1 | 57.7° | 57.4° |
| C3 | O4 | C18 | C11 | 52.5° | 50.5° |
| O4 | C3 | C2 | C4 | 105.5° | 104.4° |
| O4 | C3 | C2 | H2 | 123.0° | 126.8° |
| O4 | C3 | C4 | H2 | 127.4° | 126.6° |
| O4 | C3 | C2 | C1 | 46.8° | 34.8° |
| O4 | C3 | C4 | C11 | 21.9° | 32.2° |
| O4 | C3 | C4 | C5 | 148.2° | 147.9° |
| O4 | C3 | C2 | H5 | 165.0° | 83.4° |
| O4 | C3 | C2 | H4 | 71.5° | 152.9° |
| C3 | O4 | C18 | H3 | 178.9° | 176.5° |
| N1 | S1 | O1 | C1 | 106.8° | 111.7° |
| N1 | S1 | C1 | C18 | 53.9° | 173.2° |
| S1 | N1 | C21 | C22 | 131.0° | 25.8° |
| S1 | N1 | C21 | C27 | 49.4° | 153.9° |
| N1 | S1 | C1 | C2 | 166.7° | 60.6° |
| N1 | S1 | C1 | H1 | 67.8° | 63.0° |
| S1 | N1 | C19 | H17 | 115.4° | 145.0° |
| S1 | N1 | C19 | H16 | 127.1° | 25.0° |
| C21 | N1 | S1 | O1 | 55.9° | 48.8° |
| C21 | N1 | S1 | C1 | 54.6° | 67.2° |
| N1 | C21 | C22 | C27 | 179.6° | 179.7° |
| N1 | C21 | C22 | C23 | 179.6° | 180.0° |
| N1 | C21 | C27 | C26 | 179.4° | 179.8° |
| C21 | N1 | C19 | H17 | 64.5° | 35.3° |
| C21 | N1 | C19 | H16 | 53.0° | 155.3° |
| N1 | C21 | C22 | H21 | 0.4° | 0.1° |
| N1 | C21 | C27 | H27 | 0.6° | 0.0° |
| O1 | S1 | C1 | C18 | 166.6° | 75.2° |
| O1 | S1 | C1 | C2 | 80.6° | 172.2° |
| O1 | S1 | C1 | H1 | 45.0° | 48.6° |
| S1 | C1 | C18 | C2 | 119.2° | 118.1° |
| S1 | C1 | C18 | H1 | 119.0° | 123.7° |
| S1 | C1 | C18 | C11 | 161.1° | 172.2° |
| S1 | C1 | C2 | C3 | 128.1° | 118.2° |
| S1 | C1 | C2 | H1 | 123.0° | 123.6° |
| S1 | C1 | C2 | H5 | 113.7° | 0.0° |
| S1 | C1 | C2 | H4 | 9.9° | 123.6° |
| S1 | C1 | C18 | H3 | 31.2° | 43.4° |
| C1 | C18 | C11 | H3 | 129.5° | 128.7° |
| C18 | C1 | C2 | C3 | 12.8° | 0.0° |
| C18 | C1 | C2 | H1 | 121.7° | 118.2° |
| C1 | C18 | C11 | C4 | 63.5° | 72.6° |
| C1 | C18 | C11 | C12 | 100.8° | 107.4° |
| C18 | C1 | C2 | H5 | 131.0° | 118.1° |
| C18 | C1 | C2 | H4 | 105.4° | 118.2° |
| C18 | C11 | C12 | C17 | 62.1° | 64.7° |
| C18 | C11 | C4 | C3 | 10.1° | 0.1° |
| C11 | C18 | C1 | C2 | 79.7° | 69.7° |
| C18 | C11 | C4 | C12 | 162.0° | 180.0° |
| C18 | C11 | C4 | C5 | 178.6° | 179.9° |
| C18 | C11 | C12 | C13 | 117.2° | 115.0° |
| C11 | C18 | C1 | H1 | 42.2° | 48.5° |
| C16 | C17 | C12 | H15 | 180.0° | 179.5° |
| C17 | C16 | C15 | H14 | 180.0° | 179.8° |
| C16 | C17 | C12 | C11 | 179.9° | 179.7° |
| C16 | C17 | C12 | C13 | 0.8° | 0.5° |
| C17 | C16 | C15 | O3 | 179.9° | 179.7° |
| C17 | C16 | C15 | C14 | 0.1° | 0.3° |
| C12 | C17 | C16 | C15 | 0.5° | 0.6° |
| C17 | C12 | C11 | C4 | 138.7° | 115.2° |
| C17 | C12 | C11 | C13 | 179.3° | 179.7° |
| C17 | C12 | C13 | C14 | 0.6° | 0.2° |
| C17 | C12 | C13 | H11 | 179.4° | 179.8° |
| C12 | C17 | C16 | H14 | 179.5° | 179.7° |
| C21 | C22 | C23 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C27 | C26 | 0.2° | 0.5° |
| C21 | C22 | C23 | H22 | 179.9° | 180.0° |
| C22 | C21 | C27 | H27 | 179.8° | 179.7° |
| C23 | C22 | C21 | C27 | 0.0° | 0.3° |
| C22 | C23 | C24 | H22 | 180.0° | 180.0° |
| C22 | C23 | C24 | C26 | 0.0° | 0.1° |
| C22 | C23 | C24 | O6 | 179.8° | 180.0° |
| C2 | C3 | C4 | H2 | 131.4° | 128.8° |
| C3 | C2 | C1 | H5 | 118.2° | 118.2° |
| C3 | C2 | C1 | H4 | 118.2° | 118.1° |
| C2 | C3 | C4 | C11 | 79.3° | 72.4° |
| C2 | C3 | C4 | C5 | 110.5° | 107.4° |
| C3 | C2 | H5 | H4 | 125.0° | 123.7° |
| C3 | C2 | C1 | H1 | 108.9° | 118.2° |
| C4 | C3 | C2 | C1 | 58.7° | 69.6° |
| C3 | C4 | C11 | C5 | 168.4° | 179.9° |
| C3 | C4 | C11 | C12 | 172.1° | 180.0° |
| C3 | C4 | C5 | C6 | 146.1° | 115.0° |
| C3 | C4 | C5 | C10 | 32.4° | 64.7° |
| C4 | C3 | C2 | H5 | 59.5° | 172.2° |
| C4 | C3 | C2 | H4 | 176.9° | 48.6° |
| C21 | C27 | C26 | H27 | 180.0° | 179.7° |
| C21 | C27 | C26 | C24 | 0.3° | 0.6° |
| C27 | C21 | C22 | H21 | 180.0° | 179.8° |
| C21 | C27 | C26 | H26 | 179.8° | 179.7° |
| C16 | C15 | O3 | C14 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H12 | 179.9° | 179.9° |
| C15 | C16 | C17 | H15 | 179.5° | 180.0° |
| C16 | C15 | O3 | H13 | 180.0° | 90.0° |
| C1 | C2 | H5 | H4 | 125.0° | 123.7° |
| C2 | C1 | C18 | H3 | 150.4° | 161.6° |
| C1 | C2 | C3 | H2 | 169.8° | 161.6° |
| C4 | C11 | C12 | C13 | 42.0° | 65.0° |
| C11 | C4 | C5 | C6 | 21.1° | 65.1° |
| C11 | C4 | C5 | C10 | 160.4° | 115.2° |
| C4 | C11 | C18 | H3 | 167.0° | 158.7° |
| C11 | C4 | C3 | H2 | 149.3° | 158.7° |
| C12 | C11 | C4 | C5 | 19.4° | 0.1° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C11 | C12 | C13 | H11 | 0.1° | 0.1° |
| C11 | C12 | C17 | H15 | 0.1° | 0.3° |
| C12 | C11 | C18 | H3 | 28.7° | 21.3° |
| C4 | C5 | C6 | C10 | 178.5° | 179.7° |
| C4 | C5 | C6 | C7 | 179.2° | 180.0° |
| C4 | C5 | C10 | C9 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 0.8° | 0.0° |
| C4 | C5 | C10 | H10 | 0.4° | 0.1° |
| C5 | C4 | C3 | H2 | 20.9° | 21.4° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | H12 | 179.8° | 180.0° |
| C13 | C12 | C17 | H15 | 179.2° | 180.0° |
| C23 | C24 | C26 | C27 | 0.2° | 0.4° |
| C23 | C24 | C26 | O6 | 179.8° | 179.9° |
| C23 | C24 | O6 | C25 | 8.1° | 180.0° |
| C24 | C23 | C22 | H21 | 179.9° | 180.0° |
| C23 | C24 | C26 | H26 | 179.9° | 180.0° |
| C27 | C26 | C24 | H26 | 180.0° | 179.7° |
| C27 | C26 | C24 | O6 | 179.6° | 179.8° |
| O3 | C15 | C14 | C13 | 179.7° | 180.0° |
| O3 | C15 | C14 | H12 | 0.3° | 0.1° |
| O3 | C15 | C16 | H14 | 0.1° | 0.0° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | H11 | 179.8° | 180.0° |
| C14 | C15 | C16 | H14 | 179.9° | 180.0° |
| C14 | C15 | O3 | H13 | 0.2° | 90.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | C10 | C9 | 1.0° | 0.2° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C10 | H10 | 179.0° | 179.7° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| C10 | C5 | C6 | C7 | 0.7° | 0.3° |
| C5 | C10 | C9 | H10 | 180.0° | 179.9° |
| C5 | C10 | C9 | C8 | 0.9° | 0.1° |
| C10 | C5 | C6 | H6 | 179.3° | 179.8° |
| C5 | C10 | C9 | H9 | 179.1° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C6 | C7 | C8 | O2 | 179.9° | 180.0° |
| C26 | C24 | O6 | C25 | 171.7° | 0.1° |
| C26 | C24 | C23 | H22 | 180.0° | 179.9° |
| C24 | C26 | C27 | H27 | 179.8° | 179.7° |
| O6 | C24 | C23 | H22 | 0.2° | 0.0° |
| C24 | O6 | C25 | H23 | 180.0° | 180.0° |
| C24 | O6 | C25 | H24 | 60.0° | 59.9° |
| C24 | O6 | C25 | H25 | 60.0° | 60.1° |
| O6 | C24 | C26 | H26 | 0.4° | 0.1° |
| C10 | C9 | C8 | C7 | 0.5° | 0.3° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | O2 | 179.8° | 179.9° |
| C7 | C8 | C9 | O2 | 179.6° | 179.8° |
| C8 | C7 | C6 | H6 | 179.7° | 180.0° |
| C7 | C8 | C9 | H9 | 179.5° | 179.8° |
| C7 | C8 | O2 | H8 | 180.0° | 90.1° |
| O6 | C25 | H23 | H24 | 120.0° | 120.1° |
| O6 | C25 | H23 | H25 | 120.0° | 120.0° |
| O6 | C25 | H24 | H25 | 120.0° | 120.1° |
| C8 | C9 | C10 | H10 | 179.1° | 180.0° |
| C9 | C8 | C7 | H7 | 179.8° | 179.7° |
| C9 | C8 | O2 | H8 | 0.4° | 89.7° |
| O2 | C8 | C7 | H7 | 0.2° | 0.1° |
| O2 | C8 | C9 | H9 | 0.1° | 0.0° |
| H5 | C2 | C1 | H1 | 9.3° | 123.7° |
| H5 | C2 | C3 | H2 | 72.0° | 43.4° |
| H4 | C2 | C1 | H1 | 132.9° | 0.0° |
| H4 | C2 | C3 | H2 | 51.5° | 80.2° |
| H6 | C6 | C7 | H7 | 0.3° | 0.1° |
| H1 | C1 | C18 | H3 | 87.7° | 80.3° |
| H10 | C10 | C9 | H9 | 0.9° | 0.1° |
| H11 | C13 | C14 | H12 | 0.2° | 0.0° |
| H14 | C16 | C17 | H15 | 0.5° | 0.2° |
| H17 | C19 | C20 | H18 | 60.1° | 65.0° |
| H17 | C19 | C20 | H19 | 58.9° | 175.0° |
| H16 | C19 | C20 | H18 | 177.6° | 55.0° |
| H16 | C19 | C20 | H19 | 58.6° | 65.0° |
| H18 | C20 | O5 | H20 | 40.9° | 60.1° |
| H19 | C20 | O5 | H20 | 159.9° | 60.0° |
| H21 | C22 | C23 | H22 | 0.1° | 0.0° |
| H23 | C25 | H24 | H25 | 120.0° | 119.9° |
| H26 | C26 | C27 | H27 | 0.2° | 0.0° |
