A1AHS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O5 | sing | 1.43Å | 1.39Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | C8 | sing | 1.36Å | 1.37Å | |
| O5 | C25 | sing | 1.36Å | 1.37Å | |
| C10 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | O4 | sing | 1.47Å | 1.40Å | |
| C3 | C2 | sing | 1.56Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.39Å | 1.37Å | Aromatic |
| C28 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| O4 | C18 | sing | 1.47Å | 1.41Å | |
| C5 | C4 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.55Å | 1.54Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C11 | doub | 1.36Å | 1.37Å | |
| O6 | S1 | doub | 1.42Å | 1.44Å | |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | N1 | sing | 1.40Å | 1.43Å | |
| C18 | C1 | sing | 1.56Å | 1.54Å | |
| C18 | C11 | sing | 1.53Å | 1.51Å | |
| C1 | S1 | sing | 1.81Å | 1.89Å | |
| C11 | C12 | sing | 1.47Å | 1.48Å | |
| S1 | N1 | sing | 1.66Å | 1.80Å | |
| S1 | O1 | doub | 1.42Å | 1.46Å | |
| C23 | C21 | sing | 1.51Å | 1.52Å | |
| N1 | C19 | sing | 1.47Å | 1.47Å | |
| C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | O3 | sing | 1.36Å | 1.36Å | |
| 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 | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | 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 | |
| C27 | H26 | 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) |
| C26 | O5 | C25 | 122.0° | 117.0° |
| O5 | C26 | H23 | 109.5° | 109.5° |
| O5 | C26 | H24 | 109.5° | 109.5° |
| O5 | C26 | H25 | 109.5° | 109.4° |
| C10 | C9 | C8 | 120.2° | 120.1° |
| C9 | C10 | C5 | 120.0° | 119.9° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C8 | O2 | 120.6° | 119.9° |
| C9 | C8 | C7 | 120.3° | 120.2° |
| C8 | C9 | H9 | 119.9° | 119.9° |
| C25 | C27 | C28 | 120.5° | 119.8° |
| C27 | C25 | O5 | 124.3° | 120.0° |
| C27 | C25 | C24 | 119.1° | 120.1° |
| C25 | C27 | H26 | 119.7° | 120.1° |
| C27 | C28 | C22 | 119.9° | 120.1° |
| C27 | C28 | H27 | 120.0° | 119.9° |
| C28 | C27 | H26 | 119.8° | 120.1° |
| O2 | C8 | C7 | 119.0° | 119.9° |
| C8 | O2 | H8 | 109.5° | 114.0° |
| O5 | C25 | C24 | 116.6° | 120.0° |
| C10 | C5 | C4 | 119.5° | 120.1° |
| C10 | C5 | C6 | 118.8° | 119.8° |
| C5 | C10 | H10 | 120.0° | 120.1° |
| C8 | C7 | C6 | 119.7° | 120.1° |
| C8 | C7 | H7 | 120.1° | 119.9° |
| O4 | C3 | C2 | 99.5° | 101.1° |
| O4 | C3 | C4 | 100.3° | 100.5° |
| C3 | O4 | C18 | 99.4° | 96.8° |
| O4 | C3 | H2 | 117.0° | 115.9° |
| C2 | C3 | C4 | 108.8° | 105.5° |
| C3 | C2 | C1 | 101.2° | 101.9° |
| C3 | C2 | H4 | 111.5° | 111.1° |
| C3 | C2 | H5 | 111.5° | 110.8° |
| C2 | C3 | H2 | 114.5° | 115.6° |
| C3 | C4 | C5 | 120.6° | 127.0° |
| C3 | C4 | C11 | 104.5° | 106.0° |
| C4 | C3 | H2 | 114.9° | 116.1° |
| C25 | C24 | C23 | 121.9° | 120.3° |
| C25 | C24 | H22 | 119.1° | 119.9° |
| C28 | C22 | C23 | 118.3° | 120.1° |
| C28 | C22 | N1 | 122.8° | 119.1° |
| C22 | C28 | H27 | 120.0° | 119.9° |
| O4 | C18 | C1 | 102.9° | 101.1° |
| O4 | C18 | C11 | 101.2° | 100.7° |
| O4 | C18 | H3 | 117.7° | 116.5° |
| C4 | C5 | C6 | 121.7° | 120.1° |
| C5 | C4 | C11 | 134.9° | 127.0° |
| C5 | C6 | C7 | 120.9° | 119.9° |
| C5 | C6 | H6 | 119.6° | 120.1° |
| C2 | C1 | C18 | 101.0° | 102.2° |
| C2 | C1 | S1 | 115.6° | 110.8° |
| C2 | C1 | H1 | 110.6° | 110.9° |
| C1 | C2 | H4 | 111.5° | 111.0° |
| C1 | C2 | H5 | 111.5° | 110.9° |
| C7 | C6 | H6 | 119.6° | 120.1° |
| C6 | C7 | H7 | 120.2° | 119.9° |
| C4 | C11 | C18 | 104.9° | 105.9° |
| C4 | C11 | C12 | 131.5° | 127.1° |
| O6 | S1 | C1 | 107.0° | 110.5° |
| O6 | S1 | N1 | 109.4° | 104.3° |
| O6 | S1 | O1 | 118.8° | 121.0° |
| C24 | C23 | C22 | 120.3° | 119.6° |
| C24 | C23 | C21 | 117.8° | 118.9° |
| C23 | C24 | H22 | 119.1° | 119.8° |
| C23 | C22 | N1 | 118.8° | 120.8° |
| C22 | C23 | C21 | 121.9° | 121.5° |
| C22 | N1 | S1 | 128.1° | 120.6° |
| C22 | N1 | C19 | 118.8° | 118.9° |
| C1 | C18 | C11 | 102.1° | 105.1° |
| C18 | C1 | S1 | 112.2° | 111.0° |
| C18 | C1 | H1 | 110.7° | 110.9° |
| C1 | C18 | H3 | 115.2° | 115.6° |
| C18 | C11 | C12 | 121.8° | 127.0° |
| C11 | C18 | H3 | 115.6° | 115.6° |
| C1 | S1 | N1 | 112.6° | 104.5° |
| C1 | S1 | O1 | 103.4° | 110.6° |
| S1 | C1 | H1 | 106.7° | 110.8° |
| C11 | C12 | C17 | 117.0° | 120.1° |
| C11 | C12 | C13 | 123.0° | 120.1° |
| N1 | S1 | O1 | 105.6° | 104.3° |
| S1 | N1 | C19 | 109.3° | 120.5° |
| C23 | C21 | C20 | 107.4° | 110.5° |
| C23 | C21 | H21 | 110.0° | 109.3° |
| C23 | C21 | H20 | 110.0° | 109.3° |
| N1 | C19 | C20 | 114.7° | 107.8° |
| N1 | C19 | H17 | 108.1° | 109.8° |
| N1 | C19 | H16 | 108.2° | 109.8° |
| C17 | C12 | C13 | 120.1° | 119.8° |
| C12 | C17 | C16 | 120.4° | 119.9° |
| C12 | C17 | H15 | 119.8° | 120.1° |
| C12 | C13 | C14 | 119.7° | 119.9° |
| C12 | C13 | H11 | 120.2° | 120.0° |
| C21 | C20 | C19 | 107.0° | 108.8° |
| C21 | C20 | H18 | 110.1° | 109.6° |
| C21 | C20 | H19 | 110.1° | 109.6° |
| C20 | C21 | H21 | 110.0° | 109.2° |
| C20 | C21 | H20 | 110.0° | 109.3° |
| C19 | C20 | H18 | 110.1° | 109.6° |
| C19 | C20 | H19 | 110.1° | 109.7° |
| C20 | C19 | H17 | 108.1° | 109.8° |
| C20 | C19 | H16 | 108.1° | 109.8° |
| C17 | C16 | C15 | 119.2° | 120.1° |
| C16 | C17 | H15 | 119.8° | 120.0° |
| C17 | C16 | H14 | 120.4° | 120.0° |
| C13 | C14 | C15 | 119.2° | 120.1° |
| C14 | C13 | H11 | 120.2° | 120.1° |
| C13 | C14 | H12 | 120.4° | 119.9° |
| C16 | C15 | C14 | 121.5° | 120.2° |
| C16 | C15 | O3 | 118.8° | 119.9° |
| C15 | C16 | H14 | 120.4° | 120.0° |
| C14 | C15 | O3 | 119.7° | 119.9° |
| C15 | C14 | H12 | 120.4° | 120.0° |
| C15 | O3 | H13 | 109.5° | 114.0° |
| H18 | C20 | H19 | 109.5° | 109.6° |
| H21 | C21 | H20 | 109.4° | 109.2° |
| H23 | C26 | H24 | 109.4° | 109.5° |
| H23 | C26 | H25 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.4° | 109.5° |
| H17 | C19 | H16 | 109.5° | 109.9° |
| H4 | C2 | H5 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O5 | C25 | C27 | 3.8° | 0.0° |
| C26 | O5 | C25 | C24 | 176.1° | 180.0° |
| O5 | C26 | H23 | H24 | 120.0° | 120.0° |
| O5 | C26 | H23 | H25 | 120.0° | 119.9° |
| O5 | C26 | H24 | H25 | 120.0° | 120.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.4° |
| C10 | C9 | C8 | O2 | 179.4° | 179.7° |
| C9 | C10 | C5 | H10 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 2.3° | 0.3° |
| C9 | C10 | C5 | C4 | 179.9° | 179.7° |
| C9 | C10 | C5 | C6 | 2.2° | 0.6° |
| C9 | C8 | O2 | C7 | 178.3° | 180.0° |
| C8 | C9 | C10 | C5 | 2.4° | 0.6° |
| C9 | C8 | C7 | C6 | 1.9° | 0.0° |
| C9 | C8 | C7 | H7 | 178.1° | 179.9° |
| C8 | C9 | C10 | H10 | 177.6° | 179.7° |
| C9 | C8 | O2 | H8 | 180.0° | 90.0° |
| C25 | C27 | C28 | H26 | 180.0° | 180.0° |
| C27 | C25 | O5 | C24 | 180.0° | 180.0° |
| C25 | C27 | C28 | C22 | 1.0° | 0.0° |
| C27 | C25 | C24 | C23 | 0.1° | 0.0° |
| C27 | C25 | C24 | H22 | 179.9° | 180.0° |
| C25 | C27 | C28 | H27 | 179.0° | 180.0° |
| C28 | C27 | C25 | O5 | 179.8° | 179.9° |
| C28 | C27 | C25 | C24 | 0.2° | 0.1° |
| C27 | C28 | C22 | H27 | 180.0° | 180.0° |
| C27 | C28 | C22 | C23 | 1.6° | 0.1° |
| C27 | C28 | C22 | N1 | 178.2° | 179.7° |
| O2 | C8 | C7 | C6 | 179.7° | 180.0° |
| O2 | C8 | C7 | H7 | 0.3° | 0.1° |
| O2 | C8 | C9 | H9 | 0.6° | 0.3° |
| O5 | C25 | C24 | C23 | 179.9° | 180.0° |
| O5 | C25 | C24 | H22 | 0.1° | 0.0° |
| C25 | O5 | C26 | H23 | 180.0° | 60.0° |
| C25 | O5 | C26 | H24 | 60.0° | 60.0° |
| C25 | O5 | C26 | H25 | 60.0° | 180.0° |
| O5 | C25 | C27 | H26 | 0.2° | 0.1° |
| C10 | C5 | C4 | C3 | 18.5° | 64.4° |
| C10 | C5 | C4 | C6 | 177.8° | 179.7° |
| C10 | C5 | C6 | C7 | 2.0° | 0.3° |
| C10 | C5 | C4 | C11 | 160.9° | 115.3° |
| C10 | C5 | C6 | H6 | 178.0° | 179.8° |
| C5 | C10 | C9 | H9 | 177.6° | 180.0° |
| C8 | C7 | C6 | C5 | 1.8° | 0.1° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | H6 | 178.2° | 179.9° |
| C7 | C8 | C9 | H9 | 177.8° | 179.7° |
| C7 | C8 | O2 | H8 | 1.7° | 90.0° |
| O4 | C3 | C2 | C4 | 104.4° | 104.3° |
| O4 | C3 | C2 | H2 | 125.7° | 126.0° |
| O4 | C3 | C4 | H2 | 126.4° | 125.9° |
| O4 | C3 | C4 | C5 | 146.5° | 147.8° |
| O4 | C3 | C2 | C1 | 40.0° | 34.9° |
| O4 | C3 | C4 | C11 | 34.0° | 32.5° |
| C3 | O4 | C18 | C1 | 54.8° | 57.2° |
| C3 | O4 | C18 | C11 | 50.5° | 50.8° |
| C3 | O4 | C18 | H3 | 177.5° | 176.7° |
| O4 | C3 | C2 | H4 | 158.7° | 83.4° |
| O4 | C3 | C2 | H5 | 78.6° | 153.0° |
| C2 | C3 | C4 | H2 | 129.7° | 129.4° |
| C2 | C3 | O4 | C18 | 59.1° | 57.4° |
| C2 | C3 | C4 | C5 | 109.7° | 107.5° |
| C3 | C2 | C1 | H4 | 118.7° | 118.4° |
| C3 | C2 | C1 | H5 | 118.7° | 117.9° |
| C2 | C3 | C4 | C11 | 69.9° | 72.2° |
| C3 | C2 | C1 | C18 | 7.6° | 0.2° |
| C3 | C2 | C1 | S1 | 128.9° | 118.4° |
| C3 | C2 | C1 | H1 | 109.6° | 118.1° |
| C3 | C2 | H4 | H5 | 123.9° | 123.6° |
| C4 | C3 | O4 | C18 | 52.1° | 50.9° |
| C3 | C4 | C5 | C11 | 179.4° | 179.7° |
| C3 | C4 | C5 | C6 | 159.3° | 115.3° |
| C4 | C3 | C2 | C1 | 64.4° | 69.4° |
| C3 | C4 | C11 | C18 | 3.0° | 0.3° |
| C3 | C4 | C11 | C12 | 161.8° | 179.7° |
| C4 | C3 | C2 | H4 | 54.3° | 172.3° |
| C4 | C3 | C2 | H5 | 177.0° | 48.7° |
| C25 | C24 | C23 | H22 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.8° | 0.1° |
| C25 | C24 | C23 | C21 | 179.7° | 179.6° |
| C24 | C25 | C27 | H26 | 179.8° | 179.9° |
| C28 | C22 | C23 | C24 | 1.5° | 0.2° |
| C28 | C22 | C23 | N1 | 176.7° | 179.8° |
| C28 | C22 | N1 | S1 | 32.2° | 13.7° |
| C28 | C22 | C23 | C21 | 179.0° | 179.5° |
| C28 | C22 | N1 | C19 | 172.3° | 166.5° |
| C22 | C28 | C27 | H26 | 179.0° | 180.0° |
| O4 | C18 | C1 | C2 | 27.0° | 34.7° |
| O4 | C18 | C11 | C4 | 28.9° | 32.2° |
| O4 | C18 | C1 | C11 | 104.6° | 104.4° |
| O4 | C18 | C1 | H3 | 129.3° | 126.8° |
| O4 | C18 | C11 | H3 | 128.3° | 126.5° |
| O4 | C18 | C1 | S1 | 96.6° | 83.4° |
| O4 | C18 | C11 | C12 | 164.5° | 147.8° |
| O4 | C18 | C1 | H1 | 144.2° | 153.0° |
| C18 | O4 | C3 | H2 | 177.1° | 176.8° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C5 | C4 | C11 | C18 | 177.6° | 180.0° |
| C5 | C4 | C11 | C12 | 17.7° | 0.0° |
| C4 | C5 | C6 | H6 | 0.3° | 0.1° |
| C4 | C5 | C10 | H10 | 0.1° | 0.0° |
| C5 | C4 | C3 | H2 | 20.1° | 21.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C11 | 21.3° | 65.0° |
| C5 | C6 | C7 | H7 | 178.2° | 179.9° |
| C6 | C5 | C10 | H10 | 177.7° | 179.7° |
| C2 | C1 | S1 | O6 | 4.3° | 52.4° |
| C2 | C1 | C18 | S1 | 123.7° | 118.1° |
| C2 | C1 | C18 | H1 | 117.2° | 118.3° |
| C2 | C1 | C18 | C11 | 77.6° | 69.7° |
| C2 | C1 | S1 | H1 | 123.5° | 123.6° |
| C2 | C1 | S1 | N1 | 124.6° | 59.3° |
| C2 | C1 | S1 | O1 | 121.9° | 170.9° |
| C2 | C1 | C18 | H3 | 156.4° | 161.5° |
| C1 | C2 | H4 | H5 | 123.8° | 123.7° |
| C1 | C2 | C3 | H2 | 165.7° | 161.0° |
| C4 | C11 | C18 | C1 | 77.0° | 72.5° |
| C4 | C11 | C18 | C12 | 166.6° | 180.0° |
| C4 | C11 | C12 | C17 | 136.2° | 65.0° |
| C4 | C11 | C12 | C13 | 44.1° | 115.0° |
| C4 | C11 | C18 | H3 | 157.2° | 158.7° |
| C11 | C4 | C3 | H2 | 160.4° | 158.4° |
| O6 | S1 | N1 | C22 | 74.6° | 176.3° |
| O6 | S1 | C1 | C18 | 110.7° | 60.4° |
| O6 | S1 | C1 | N1 | 120.2° | 111.6° |
| O6 | S1 | C1 | O1 | 126.2° | 136.7° |
| O6 | S1 | N1 | O1 | 129.0° | 127.9° |
| O6 | S1 | N1 | C19 | 128.1° | 3.9° |
| O6 | S1 | C1 | H1 | 127.8° | 175.9° |
| C24 | C23 | C22 | C21 | 179.5° | 179.7° |
| C24 | C23 | C22 | N1 | 178.3° | 179.6° |
| C24 | C23 | C21 | C20 | 144.6° | 159.5° |
| C24 | C23 | C21 | H21 | 25.0° | 39.3° |
| C24 | C23 | C21 | H20 | 95.7° | 80.2° |
| C23 | C22 | N1 | S1 | 144.3° | 166.1° |
| C23 | C22 | N1 | C19 | 11.1° | 13.7° |
| C22 | C23 | C21 | C20 | 34.8° | 20.8° |
| C22 | C23 | C21 | H21 | 154.5° | 141.0° |
| C22 | C23 | C21 | H20 | 84.9° | 99.5° |
| C22 | C23 | C24 | H22 | 179.2° | 179.9° |
| C23 | C22 | C28 | H27 | 178.4° | 179.9° |
| C22 | N1 | S1 | C1 | 44.3° | 67.7° |
| C22 | N1 | S1 | C19 | 157.3° | 179.8° |
| C22 | N1 | S1 | O1 | 156.4° | 48.4° |
| N1 | C22 | C23 | C21 | 2.3° | 0.7° |
| C22 | N1 | C19 | C20 | 18.8° | 44.7° |
| N1 | C22 | C28 | H27 | 1.8° | 0.3° |
| C22 | N1 | C19 | H17 | 101.9° | 164.3° |
| C22 | N1 | C19 | H16 | 139.6° | 74.8° |
| C1 | C18 | C11 | H3 | 125.8° | 128.8° |
| C18 | C1 | S1 | H1 | 121.5° | 123.7° |
| C1 | C18 | C11 | C12 | 89.6° | 107.5° |
| C18 | C1 | S1 | N1 | 9.5° | 172.0° |
| C18 | C1 | S1 | O1 | 123.1° | 76.4° |
| C18 | C1 | C2 | H4 | 126.3° | 118.2° |
| C18 | C1 | C2 | H5 | 111.0° | 118.1° |
| C11 | C18 | C1 | S1 | 158.7° | 172.2° |
| C18 | C11 | C12 | C17 | 61.2° | 115.0° |
| C18 | C11 | C12 | C13 | 118.5° | 65.0° |
| C11 | C18 | C1 | H1 | 39.6° | 48.6° |
| C1 | S1 | N1 | O1 | 112.2° | 116.1° |
| C1 | S1 | N1 | C19 | 113.0° | 112.1° |
| S1 | C1 | C18 | H3 | 32.7° | 43.4° |
| S1 | C1 | C2 | H4 | 112.4° | 0.0° |
| S1 | C1 | C2 | H5 | 10.3° | 123.6° |
| C11 | C12 | C17 | C13 | 179.7° | 180.0° |
| C11 | C12 | C17 | C16 | 179.1° | 179.4° |
| C11 | C12 | C13 | C14 | 179.0° | 180.0° |
| C11 | C12 | C13 | H11 | 1.0° | 0.3° |
| C11 | C12 | C17 | H15 | 0.9° | 0.3° |
| C12 | C11 | C18 | H3 | 36.2° | 21.3° |
| S1 | N1 | C19 | C20 | 178.5° | 135.1° |
| N1 | S1 | C1 | H1 | 111.9° | 64.3° |
| S1 | N1 | C19 | H17 | 57.8° | 15.5° |
| S1 | N1 | C19 | H16 | 60.7° | 105.4° |
| O1 | S1 | N1 | C19 | 0.9° | 131.8° |
| O1 | S1 | C1 | H1 | 1.6° | 47.4° |
| C23 | C21 | C20 | H21 | 119.7° | 120.3° |
| C23 | C21 | C20 | H20 | 119.7° | 120.3° |
| C23 | C21 | C20 | C19 | 60.5° | 51.4° |
| C23 | C21 | C20 | H18 | 59.1° | 171.3° |
| C23 | C21 | C20 | H19 | 179.9° | 68.5° |
| C23 | C21 | H21 | H20 | 120.9° | 119.5° |
| C21 | C23 | C24 | H22 | 0.3° | 0.4° |
| N1 | C19 | C20 | C21 | 55.4° | 63.2° |
| N1 | C19 | C20 | H17 | 120.8° | 119.5° |
| N1 | C19 | C20 | H16 | 120.8° | 119.6° |
| N1 | C19 | C20 | H18 | 64.2° | 177.0° |
| N1 | C19 | C20 | H19 | 175.1° | 56.6° |
| N1 | C19 | H17 | H16 | 117.6° | 120.9° |
| C12 | C17 | C16 | H15 | 180.0° | 179.2° |
| C17 | C12 | C13 | C14 | 1.3° | 0.0° |
| C12 | C17 | C16 | C15 | 0.4° | 0.8° |
| C17 | C12 | C13 | H11 | 178.8° | 179.7° |
| C12 | C17 | C16 | H14 | 179.6° | 179.2° |
| C13 | C12 | C17 | C16 | 1.2° | 0.5° |
| C12 | C13 | C14 | H11 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.5° | 0.3° |
| C13 | C12 | C17 | H15 | 178.8° | 179.7° |
| C12 | C13 | C14 | H12 | 179.5° | 179.7° |
| C21 | C20 | C19 | H18 | 119.6° | 119.8° |
| C21 | C20 | C19 | H19 | 119.6° | 119.9° |
| C21 | C20 | H18 | H19 | 121.2° | 120.3° |
| C20 | C21 | H21 | H20 | 121.0° | 119.5° |
| C21 | C20 | C19 | H17 | 65.3° | 177.2° |
| C21 | C20 | C19 | H16 | 176.2° | 56.4° |
| C19 | C20 | H18 | H19 | 121.1° | 120.4° |
| C19 | C20 | C21 | H21 | 179.8° | 171.7° |
| C19 | C20 | C21 | H20 | 59.2° | 68.9° |
| C20 | C19 | H17 | H16 | 117.6° | 120.8° |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.4° | 0.5° |
| C17 | C16 | C15 | O3 | 178.7° | 179.4° |
| C13 | C14 | C15 | C16 | 0.3° | 0.1° |
| C13 | C14 | C15 | H12 | 180.0° | 179.9° |
| C13 | C14 | C15 | O3 | 178.7° | 180.0° |
| C16 | C15 | C14 | O3 | 179.0° | 179.9° |
| C15 | C16 | C17 | H15 | 179.6° | 180.0° |
| C16 | C15 | C14 | H12 | 179.7° | 180.0° |
| C16 | C15 | O3 | H13 | 180.0° | 90.0° |
| C15 | C14 | C13 | H11 | 179.5° | 180.0° |
| C14 | C15 | C16 | H14 | 179.6° | 179.5° |
| C14 | C15 | O3 | H13 | 1.0° | 90.0° |
| O3 | C15 | C14 | H12 | 1.3° | 0.1° |
| O3 | C15 | C16 | H14 | 1.4° | 0.5° |
| H6 | C6 | C7 | H7 | 1.8° | 0.0° |
| H10 | C10 | C9 | H9 | 2.4° | 0.3° |
| H11 | C13 | C14 | H12 | 0.5° | 0.1° |
| H15 | C17 | C16 | H14 | 0.4° | 0.1° |
| H18 | C20 | C21 | H21 | 60.6° | 68.5° |
| H18 | C20 | C21 | H20 | 178.8° | 51.0° |
| H18 | C20 | C19 | H17 | 175.1° | 57.4° |
| H18 | C20 | C19 | H16 | 56.6° | 63.4° |
| H19 | C20 | C21 | H21 | 60.2° | 51.8° |
| H19 | C20 | C21 | H20 | 60.4° | 171.2° |
| H19 | C20 | C19 | H17 | 54.3° | 62.9° |
| H19 | C20 | C19 | H16 | 64.1° | 176.2° |
| H23 | C26 | H24 | H25 | 120.0° | 120.0° |
| H27 | C28 | C27 | H26 | 1.0° | 0.0° |
| H1 | C1 | C18 | H3 | 86.5° | 80.3° |
| H1 | C1 | C2 | H4 | 9.0° | 123.5° |
| H1 | C1 | C2 | H5 | 131.7° | 0.2° |
| H4 | C2 | C3 | H2 | 75.7° | 42.7° |
| H5 | C2 | C3 | H2 | 47.0° | 81.0° |
