TCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.60Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.59Å | |
| C5 | C4 | sing | 1.53Å | 1.60Å | |
| C6 | C5 | sing | 1.53Å | 1.62Å | |
| C7 | C6 | sing | 1.53Å | 1.57Å | |
| C7 | O7 | sing | 1.43Å | 1.47Å | |
| C8 | C7 | sing | 1.53Å | 1.62Å | |
| C8 | C9 | sing | 1.54Å | 1.64Å | |
| C9 | C10 | sing | 1.53Å | 1.66Å | |
| C10 | C1 | sing | 1.53Å | 1.61Å | |
| C10 | C5 | sing | 1.53Å | 1.67Å | |
| C11 | C9 | sing | 1.52Å | 1.66Å | |
| C12 | C11 | sing | 1.54Å | 1.58Å | |
| C12 | O12 | sing | 1.43Å | 1.47Å | |
| C13 | C12 | sing | 1.52Å | 1.66Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| C14 | C8 | sing | 1.52Å | 1.64Å | |
| C15 | C14 | sing | 1.53Å | 1.59Å | |
| C16 | C15 | sing | 1.55Å | 1.60Å | |
| C16 | C17 | sing | 1.55Å | 1.65Å | |
| C17 | C13 | sing | 1.53Å | 1.54Å | |
| C18 | C13 | sing | 1.53Å | 1.68Å | |
| C19 | C10 | sing | 1.53Å | 1.61Å | |
| O1S | S26 | doub | 1.42Å | 1.49Å | |
| C20 | C17 | sing | 1.53Å | 1.64Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C22 | C20 | sing | 1.53Å | 1.61Å | |
| C23 | C22 | sing | 1.53Å | 1.61Å | |
| C23 | C24 | sing | 1.51Å | 1.47Å | |
| C24 | O24 | doub | 1.21Å | 1.36Å | |
| N24 | C24 | sing | 1.35Å | 1.26Å | |
| N24 | C25 | sing | 1.46Å | 1.48Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | S26 | sing | 1.81Å | 1.45Å | |
| S26 | O3S | sing | 1.52Å | 1.51Å | |
| O2S | S26 | doub | 1.42Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| O3S | HO3S | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.9° | 109.5° |
| C2 | C1 | C10 | 113.0° | 109.4° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C2 | C1 | H1A | 108.3° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C1 | C2 | H2A | 109.3° | 109.5° |
| C2 | C3 | O3 | 108.7° | 109.5° |
| C2 | C3 | C4 | 111.8° | 109.5° |
| C3 | C2 | H2 | 109.3° | 109.5° |
| C3 | C2 | H2A | 109.3° | 109.4° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| O3 | C3 | C4 | 109.3° | 109.5° |
| O3 | C3 | H3 | 111.0° | 109.4° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 110.9° | 109.5° |
| C4 | C3 | H3 | 107.7° | 109.4° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C3 | C4 | H4A | 109.0° | 109.5° |
| C4 | C5 | C6 | 115.0° | 109.4° |
| C4 | C5 | C10 | 110.7° | 109.4° |
| C5 | C4 | H4 | 109.0° | 109.4° |
| C5 | C4 | H4A | 109.0° | 109.4° |
| C4 | C5 | H5 | 104.5° | 109.5° |
| C5 | C6 | C7 | 113.7° | 109.5° |
| C6 | C5 | C10 | 109.0° | 109.5° |
| C6 | C5 | H5 | 106.4° | 109.6° |
| C5 | C6 | H6 | 108.1° | 109.5° |
| C5 | C6 | H6A | 108.1° | 109.4° |
| C6 | C7 | O7 | 115.0° | 109.5° |
| C6 | C7 | C8 | 111.4° | 109.4° |
| C7 | C6 | H6 | 108.1° | 109.5° |
| C7 | C6 | H6A | 108.1° | 109.4° |
| C6 | C7 | H7 | 103.8° | 109.5° |
| O7 | C7 | C8 | 108.4° | 109.5° |
| O7 | C7 | H7 | 107.0° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C7 | C8 | C9 | 110.2° | 109.2° |
| C7 | C8 | C14 | 110.2° | 110.3° |
| C8 | C7 | H7 | 111.0° | 109.4° |
| C7 | C8 | H8 | 109.2° | 109.8° |
| C8 | C9 | C10 | 110.1° | 109.3° |
| C8 | C9 | C11 | 108.1° | 111.6° |
| C9 | C8 | C14 | 111.3° | 107.2° |
| C9 | C8 | H8 | 107.9° | 109.8° |
| C8 | C9 | H9 | 110.9° | 108.9° |
| C9 | C10 | C1 | 111.8° | 109.6° |
| C9 | C10 | C5 | 108.4° | 109.1° |
| C10 | C9 | C11 | 112.0° | 110.0° |
| C9 | C10 | C19 | 116.6° | 109.5° |
| C10 | C9 | H9 | 106.9° | 108.8° |
| C1 | C10 | C5 | 109.7° | 109.3° |
| C1 | C10 | C19 | 101.2° | 109.5° |
| C10 | C1 | H1 | 108.3° | 109.4° |
| C10 | C1 | H1A | 108.3° | 109.5° |
| C5 | C10 | C19 | 108.9° | 109.8° |
| C10 | C5 | H5 | 111.0° | 109.5° |
| C9 | C11 | C12 | 104.2° | 111.3° |
| C11 | C9 | H9 | 108.9° | 108.3° |
| C9 | C11 | H11 | 111.3° | 109.1° |
| C9 | C11 | H11A | 111.3° | 109.1° |
| C11 | C12 | O12 | 108.6° | 109.9° |
| C11 | C12 | C13 | 114.0° | 107.3° |
| C12 | C11 | H11 | 111.3° | 109.1° |
| C12 | C11 | H11A | 111.3° | 109.0° |
| C11 | C12 | H12 | 108.8° | 109.9° |
| O12 | C12 | C13 | 114.3° | 109.9° |
| O12 | C12 | H12 | 108.5° | 109.9° |
| C12 | O12 | HO12 | 109.5° | 114.0° |
| C12 | C13 | C14 | 104.3° | 107.5° |
| C12 | C13 | C17 | 119.4° | 116.5° |
| C12 | C13 | C18 | 103.6° | 109.7° |
| C13 | C12 | H12 | 102.4° | 109.9° |
| C13 | C14 | C8 | 112.7° | 107.0° |
| C13 | C14 | C15 | 104.2° | 101.7° |
| C14 | C13 | C17 | 100.1° | 103.3° |
| C14 | C13 | C18 | 115.6° | 109.8° |
| C13 | C14 | H14 | 113.0° | 110.5° |
| C8 | C14 | C15 | 115.1° | 115.9° |
| C14 | C8 | H8 | 108.0° | 110.6° |
| C8 | C14 | H14 | 101.6° | 110.3° |
| C14 | C15 | C16 | 101.0° | 102.8° |
| C15 | C14 | H14 | 110.5° | 111.0° |
| C14 | C15 | H15 | 112.4° | 110.8° |
| C14 | C15 | H15A | 112.4° | 110.7° |
| C15 | C16 | C17 | 105.5° | 106.4° |
| C16 | C15 | H15 | 112.4° | 110.7° |
| C16 | C15 | H15A | 112.4° | 110.9° |
| C15 | C16 | H16 | 110.8° | 110.0° |
| C15 | C16 | H16A | 110.8° | 110.0° |
| C16 | C17 | C13 | 96.5° | 105.3° |
| C16 | C17 | C20 | 114.9° | 110.3° |
| C17 | C16 | H16 | 110.8° | 110.1° |
| C17 | C16 | H16A | 110.8° | 110.1° |
| C16 | C17 | H17 | 117.5° | 110.3° |
| C17 | C13 | C18 | 114.1° | 109.7° |
| C13 | C17 | C20 | 117.2° | 110.3° |
| C13 | C17 | H17 | 115.2° | 110.3° |
| C13 | C18 | H18 | 109.5° | 109.5° |
| C13 | C18 | H18A | 109.4° | 109.5° |
| C13 | C18 | H18B | 109.4° | 109.5° |
| C10 | C19 | H19 | 109.5° | 109.5° |
| C10 | C19 | H19A | 109.5° | 109.5° |
| C10 | C19 | H19B | 109.4° | 109.5° |
| O1S | S26 | C26 | 106.4° | 110.5° |
| O1S | S26 | O3S | 109.1° | 104.2° |
| O1S | S26 | O2S | 112.3° | 121.0° |
| C17 | C20 | C21 | 123.0° | 109.5° |
| C17 | C20 | C22 | 108.7° | 109.5° |
| C20 | C17 | H17 | 97.0° | 110.3° |
| C17 | C20 | H20 | 99.3° | 109.4° |
| C21 | C20 | C22 | 106.6° | 109.5° |
| C21 | C20 | H20 | 101.8° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.5° | 109.4° |
| C20 | C21 | H21B | 109.4° | 109.5° |
| C20 | C22 | C23 | 128.4° | 109.5° |
| C22 | C20 | H20 | 118.1° | 109.5° |
| C20 | C22 | H22 | 103.6° | 109.5° |
| C20 | C22 | H37 | 103.6° | 109.4° |
| C22 | C23 | C24 | 121.3° | 109.5° |
| C23 | C22 | H22 | 103.6° | 109.5° |
| C23 | C22 | H37 | 103.6° | 109.5° |
| C22 | C23 | H23 | 105.7° | 109.5° |
| C22 | C23 | H39 | 105.7° | 109.5° |
| C23 | C24 | O24 | 114.3° | 119.9° |
| C23 | C24 | N24 | 124.2° | 120.0° |
| C24 | C23 | H23 | 105.7° | 109.5° |
| C24 | C23 | H39 | 105.7° | 109.5° |
| O24 | C24 | N24 | 121.5° | 120.0° |
| C24 | N24 | C25 | 122.9° | 120.0° |
| C24 | N24 | HN24 | 118.5° | 120.0° |
| N24 | C25 | C26 | 114.0° | 109.5° |
| C25 | N24 | HN24 | 118.5° | 120.0° |
| N24 | C25 | H25 | 108.0° | 109.5° |
| N24 | C25 | H25A | 108.0° | 109.5° |
| C25 | C26 | S26 | 120.7° | 109.4° |
| C26 | C25 | H25 | 108.0° | 109.5° |
| C26 | C25 | H25A | 108.0° | 109.5° |
| C25 | C26 | H26 | 105.9° | 109.5° |
| C25 | C26 | H26A | 105.9° | 109.5° |
| C26 | S26 | O3S | 111.5° | 104.5° |
| C26 | S26 | O2S | 108.0° | 110.6° |
| S26 | C26 | H26 | 105.9° | 109.5° |
| S26 | C26 | H26A | 105.9° | 109.4° |
| O3S | S26 | O2S | 109.6° | 104.3° |
| S26 | O3S | HO3S | 109.5° | 114.0° |
| H1 | C1 | H1A | 110.6° | 109.5° |
| H2 | C2 | H2A | 109.6° | 109.5° |
| H4 | C4 | H4A | 110.0° | 109.5° |
| H6 | C6 | H6A | 110.8° | 109.5° |
| H11 | C11 | H11A | 107.6° | 109.1° |
| H15 | C15 | H15A | 106.4° | 110.7° |
| H16 | C16 | H16A | 108.1° | 110.1° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.4° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H22 | C22 | H37 | 114.6° | 109.5° |
| H23 | C23 | H39 | 113.0° | 109.4° |
| H25 | C25 | H25A | 110.9° | 109.4° |
| H26 | C26 | H26A | 112.8° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | C3 | O3 | 179.5° | 179.9° |
| C1 | C2 | C3 | C4 | 58.8° | 59.9° |
| C2 | C1 | C10 | C9 | 67.0° | 59.2° |
| C2 | C1 | C10 | H1 | 120.0° | 120.0° |
| C2 | C1 | C10 | H1A | 120.0° | 120.0° |
| C2 | C1 | C10 | C5 | 53.3° | 60.3° |
| C2 | C1 | C10 | C19 | 168.3° | 179.4° |
| C2 | C1 | H1 | H1A | 118.6° | 120.1° |
| C1 | C2 | H2 | H2A | 119.8° | 120.0° |
| C1 | C2 | C3 | H3 | 59.8° | 60.1° |
| C2 | C3 | O3 | C4 | 122.3° | 120.1° |
| C2 | C3 | O3 | H3 | 119.1° | 120.0° |
| C2 | C3 | C4 | H3 | 119.0° | 120.0° |
| C2 | C3 | C4 | C5 | 59.5° | 59.9° |
| C3 | C2 | C1 | C10 | 56.9° | 60.1° |
| C3 | C2 | C1 | H1 | 176.9° | 180.0° |
| C3 | C2 | C1 | H1A | 63.1° | 59.9° |
| C3 | C2 | H2 | H2A | 119.8° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 179.5° | 179.9° |
| C2 | C3 | C4 | H4A | 60.5° | 60.1° |
| O3 | C3 | C4 | H3 | 120.7° | 119.9° |
| O3 | C3 | C4 | C5 | 179.8° | 179.9° |
| O3 | C3 | C2 | H2 | 60.5° | 60.1° |
| O3 | C3 | C2 | H2A | 59.5° | 59.9° |
| O3 | C3 | C4 | H4 | 60.2° | 60.1° |
| O3 | C3 | C4 | H4A | 59.9° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.1° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 179.3° | 180.0° |
| C3 | C4 | C5 | C10 | 55.3° | 60.1° |
| C4 | C3 | C2 | H2 | 178.8° | 179.9° |
| C4 | C3 | C2 | H2A | 61.2° | 60.2° |
| C4 | C3 | O3 | HO3 | 57.7° | 180.0° |
| C3 | C4 | H4 | H4A | 119.4° | 120.0° |
| C3 | C4 | C5 | H5 | 64.4° | 59.9° |
| C4 | C5 | C6 | C10 | 125.0° | 119.9° |
| C4 | C5 | C6 | H5 | 115.2° | 120.0° |
| C4 | C5 | C6 | C7 | 67.5° | 59.7° |
| C4 | C5 | C10 | C9 | 70.1° | 59.6° |
| C4 | C5 | C10 | C1 | 52.2° | 60.2° |
| C4 | C5 | C10 | H5 | 115.7° | 120.0° |
| C4 | C5 | C10 | C19 | 162.1° | 179.6° |
| C5 | C4 | C3 | H3 | 59.5° | 60.2° |
| C5 | C4 | H4 | H4A | 119.4° | 119.9° |
| C4 | C5 | C6 | H6 | 172.5° | 179.7° |
| C4 | C5 | C6 | H6A | 52.5° | 60.3° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | C7 | O7 | 67.0° | 59.9° |
| C5 | C6 | C7 | C8 | 56.8° | 60.1° |
| C6 | C5 | C10 | C9 | 57.3° | 60.3° |
| C6 | C5 | C10 | C1 | 179.6° | 179.9° |
| C6 | C5 | C10 | H5 | 116.9° | 120.2° |
| C6 | C5 | C10 | C19 | 70.5° | 59.7° |
| C6 | C5 | C4 | H4 | 60.7° | 59.9° |
| C6 | C5 | C4 | H4A | 59.3° | 60.1° |
| C5 | C6 | H6 | H6A | 118.3° | 120.0° |
| C5 | C6 | C7 | H7 | 176.4° | 179.9° |
| C6 | C7 | O7 | C8 | 125.4° | 120.0° |
| C6 | C7 | O7 | H7 | 114.8° | 120.0° |
| C6 | C7 | C8 | H7 | 115.2° | 119.9° |
| C6 | C7 | C8 | C9 | 56.0° | 60.3° |
| C7 | C6 | C5 | C10 | 57.5° | 60.2° |
| C6 | C7 | C8 | C14 | 179.2° | 177.8° |
| C7 | C6 | C5 | H5 | 177.3° | 179.7° |
| C7 | C6 | H6 | H6A | 118.3° | 120.0° |
| C6 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C6 | C7 | C8 | H8 | 62.4° | 60.1° |
| O7 | C7 | C8 | H7 | 117.3° | 120.0° |
| O7 | C7 | C8 | C9 | 71.5° | 59.7° |
| O7 | C7 | C8 | C14 | 51.7° | 57.8° |
| O7 | C7 | C6 | H6 | 173.0° | 179.9° |
| O7 | C7 | C6 | H6A | 52.9° | 60.1° |
| O7 | C7 | C8 | H8 | 170.1° | 179.9° |
| C7 | C8 | C9 | C14 | 122.5° | 119.5° |
| C7 | C8 | C9 | H8 | 119.1° | 120.4° |
| C7 | C8 | C9 | C10 | 58.2° | 60.6° |
| C7 | C8 | C9 | C11 | 179.2° | 177.6° |
| C7 | C8 | C14 | C13 | 179.0° | 176.7° |
| C7 | C8 | C14 | H8 | 119.1° | 121.7° |
| C7 | C8 | C14 | C15 | 59.7° | 64.1° |
| C8 | C7 | C6 | H6 | 63.2° | 59.9° |
| C8 | C7 | C6 | H6A | 176.8° | 179.9° |
| C8 | C7 | O7 | HO7 | 54.6° | 180.0° |
| C7 | C8 | C9 | H9 | 59.9° | 58.1° |
| C7 | C8 | C14 | H14 | 59.7° | 63.1° |
| C8 | C9 | C10 | C11 | 120.4° | 122.8° |
| C8 | C9 | C10 | H9 | 120.5° | 118.8° |
| C8 | C9 | C10 | C1 | 179.9° | 179.8° |
| C8 | C9 | C10 | C5 | 59.1° | 60.5° |
| C8 | C9 | C11 | H9 | 120.5° | 119.9° |
| C8 | C9 | C11 | C12 | 59.4° | 55.0° |
| C9 | C8 | C14 | C13 | 58.4° | 64.5° |
| C9 | C8 | C14 | H8 | 118.3° | 119.6° |
| C9 | C8 | C14 | C15 | 177.7° | 177.1° |
| C8 | C9 | C10 | C19 | 64.2° | 59.7° |
| C9 | C8 | C7 | H7 | 171.2° | 179.8° |
| C8 | C9 | C11 | H11 | 179.4° | 175.5° |
| C8 | C9 | C11 | H11A | 60.6° | 65.4° |
| C9 | C8 | C14 | H14 | 62.9° | 55.7° |
| C9 | C10 | C1 | C5 | 120.3° | 119.5° |
| C9 | C10 | C1 | C19 | 124.8° | 120.2° |
| C9 | C10 | C5 | C19 | 127.8° | 120.0° |
| C10 | C9 | C11 | H9 | 118.0° | 118.7° |
| C10 | C9 | C11 | C12 | 179.1° | 176.4° |
| C10 | C9 | C8 | C14 | 179.3° | 179.9° |
| C9 | C10 | C1 | H1 | 53.0° | 60.7° |
| C9 | C10 | C1 | H1A | 173.0° | 179.2° |
| C9 | C10 | C5 | H5 | 174.2° | 179.6° |
| C10 | C9 | C8 | H8 | 61.0° | 59.8° |
| C10 | C9 | C11 | H11 | 59.1° | 63.1° |
| C10 | C9 | C11 | H11A | 60.9° | 56.0° |
| C9 | C10 | C19 | H19 | 180.0° | 60.0° |
| C9 | C10 | C19 | H19A | 60.0° | 180.0° |
| C9 | C10 | C19 | H19B | 60.0° | 60.0° |
| C1 | C10 | C5 | C19 | 109.9° | 120.2° |
| C1 | C10 | C9 | C11 | 59.5° | 57.0° |
| C10 | C1 | H1 | H1A | 118.5° | 120.0° |
| C10 | C1 | C2 | H2 | 176.8° | 179.9° |
| C10 | C1 | C2 | H2A | 63.1° | 59.9° |
| C1 | C10 | C5 | H5 | 63.5° | 59.7° |
| C1 | C10 | C9 | H9 | 59.6° | 61.4° |
| C1 | C10 | C19 | H19 | 58.5° | 60.2° |
| C1 | C10 | C19 | H19A | 178.5° | 59.8° |
| C1 | C10 | C19 | H19B | 61.5° | 179.8° |
| C5 | C10 | C9 | C11 | 179.5° | 176.7° |
| C5 | C10 | C1 | H1 | 173.3° | 179.8° |
| C5 | C10 | C1 | H1A | 66.7° | 59.7° |
| C10 | C5 | C4 | H4 | 175.2° | 179.9° |
| C10 | C5 | C4 | H4A | 64.8° | 59.9° |
| C10 | C5 | C6 | H6 | 62.5° | 59.9° |
| C10 | C5 | C6 | H6A | 177.5° | 179.9° |
| C5 | C10 | C9 | H9 | 61.4° | 58.3° |
| C5 | C10 | C19 | H19 | 57.0° | 179.8° |
| C5 | C10 | C19 | H19A | 63.0° | 60.3° |
| C5 | C10 | C19 | H19B | 176.9° | 59.7° |
| C9 | C11 | C12 | H11 | 120.0° | 120.5° |
| C9 | C11 | C12 | H11A | 120.0° | 120.5° |
| C9 | C11 | C12 | O12 | 61.7° | 62.0° |
| C9 | C11 | C12 | C13 | 66.9° | 57.4° |
| C11 | C9 | C8 | C14 | 56.6° | 58.1° |
| C11 | C9 | C10 | C19 | 56.2° | 63.1° |
| C11 | C9 | C8 | H8 | 61.7° | 62.0° |
| C9 | C11 | H11 | H11A | 122.2° | 119.2° |
| C9 | C11 | C12 | H12 | 179.6° | 176.9° |
| C11 | C12 | O12 | C13 | 128.5° | 117.8° |
| C11 | C12 | O12 | H12 | 118.1° | 121.1° |
| C11 | C12 | C13 | H12 | 117.3° | 119.5° |
| C11 | C12 | C13 | C14 | 66.1° | 64.3° |
| C11 | C12 | C13 | C17 | 176.6° | 179.6° |
| C11 | C12 | C13 | C18 | 55.2° | 55.0° |
| C12 | C11 | C9 | H9 | 61.1° | 64.9° |
| C12 | C11 | H11 | H11A | 122.1° | 119.0° |
| C11 | C12 | O12 | HO12 | 180.0° | 60.0° |
| O12 | C12 | C13 | H12 | 117.0° | 121.0° |
| O12 | C12 | C13 | C14 | 59.5° | 55.1° |
| O12 | C12 | C13 | C17 | 51.0° | 60.1° |
| O12 | C12 | C13 | C18 | 179.1° | 174.4° |
| O12 | C12 | C11 | H11 | 58.3° | 58.5° |
| O12 | C12 | C11 | H11A | 178.3° | 177.5° |
| C12 | C13 | C14 | C17 | 124.0° | 123.7° |
| C12 | C13 | C14 | C18 | 113.0° | 119.3° |
| C12 | C13 | C14 | C8 | 57.4° | 69.9° |
| C12 | C13 | C14 | C15 | 177.1° | 168.2° |
| C12 | C13 | C17 | C16 | 167.5° | 146.8° |
| C12 | C13 | C17 | C18 | 123.1° | 125.5° |
| C12 | C13 | C17 | C20 | 70.3° | 94.3° |
| C13 | C12 | C11 | H11 | 173.1° | 177.9° |
| C13 | C12 | C11 | H11A | 53.1° | 63.1° |
| C13 | C12 | O12 | HO12 | 51.5° | 177.8° |
| C12 | C13 | C14 | H14 | 57.1° | 50.2° |
| C12 | C13 | C17 | H17 | 42.9° | 27.8° |
| C12 | C13 | C18 | H18 | 180.0° | 58.0° |
| C12 | C13 | C18 | H18A | 60.0° | 178.0° |
| C12 | C13 | C18 | H18B | 60.0° | 62.0° |
| C13 | C14 | C8 | C15 | 119.3° | 112.6° |
| C13 | C14 | C8 | H14 | 121.3° | 120.2° |
| C13 | C14 | C15 | H14 | 121.7° | 117.5° |
| C13 | C14 | C15 | C16 | 25.9° | 41.6° |
| C14 | C13 | C17 | C16 | 54.7° | 29.2° |
| C14 | C13 | C17 | C18 | 124.1° | 117.0° |
| C14 | C13 | C17 | C20 | 176.9° | 148.2° |
| C13 | C14 | C8 | H8 | 59.9° | 55.0° |
| C14 | C13 | C12 | H12 | 176.6° | 176.1° |
| C13 | C14 | C15 | H15 | 94.0° | 76.7° |
| C13 | C14 | C15 | H15A | 146.0° | 160.1° |
| C14 | C13 | C17 | H17 | 69.9° | 89.7° |
| C14 | C13 | C18 | H18 | 66.6° | 59.9° |
| C14 | C13 | C18 | H18A | 173.4° | 60.1° |
| C14 | C13 | C18 | H18B | 53.4° | 179.9° |
| C8 | C14 | C15 | H14 | 114.4° | 126.8° |
| C8 | C14 | C15 | C16 | 149.9° | 157.2° |
| C8 | C14 | C13 | C17 | 178.6° | 166.4° |
| C8 | C14 | C13 | C18 | 55.6° | 49.4° |
| C14 | C8 | C7 | H7 | 65.6° | 62.2° |
| C14 | C8 | C9 | H9 | 62.6° | 61.4° |
| C8 | C14 | C15 | H15 | 29.9° | 38.9° |
| C8 | C14 | C15 | H15A | 90.1° | 84.3° |
| C14 | C15 | C16 | H15 | 120.0° | 118.4° |
| C14 | C15 | C16 | H15A | 120.0° | 118.4° |
| C14 | C15 | C16 | C17 | 8.2° | 24.0° |
| C15 | C14 | C13 | C17 | 53.1° | 44.4° |
| C15 | C14 | C13 | C18 | 69.9° | 72.5° |
| C15 | C14 | C8 | H8 | 59.4° | 57.5° |
| C14 | C15 | H15 | H15A | 123.4° | 123.2° |
| C14 | C15 | C16 | H16 | 111.8° | 143.2° |
| C14 | C15 | C16 | H16A | 128.2° | 95.3° |
| C15 | C16 | C17 | H16 | 120.0° | 119.2° |
| C15 | C16 | C17 | H16A | 120.0° | 119.2° |
| C15 | C16 | C17 | C13 | 38.7° | 3.4° |
| C15 | C16 | C17 | C20 | 162.7° | 122.4° |
| C16 | C15 | C14 | H14 | 95.7° | 75.9° |
| C16 | C15 | H15 | H15A | 123.4° | 123.4° |
| C15 | C16 | H16 | H16A | 121.6° | 121.5° |
| C15 | C16 | C17 | H17 | 84.2° | 115.5° |
| C16 | C17 | C13 | C20 | 122.2° | 119.0° |
| C16 | C17 | C13 | H17 | 124.6° | 118.9° |
| C16 | C17 | C13 | C18 | 69.4° | 87.8° |
| C16 | C17 | C20 | H17 | 124.8° | 122.0° |
| C16 | C17 | C20 | C21 | 166.8° | 178.5° |
| C16 | C17 | C20 | C22 | 67.8° | 61.4° |
| C17 | C16 | C15 | H15 | 128.2° | 94.4° |
| C17 | C16 | C15 | H15A | 111.8° | 142.4° |
| C17 | C16 | H16 | H16A | 121.6° | 121.6° |
| C16 | C17 | C20 | H20 | 56.2° | 58.5° |
| C13 | C17 | C20 | H17 | 123.1° | 122.1° |
| C13 | C17 | C20 | C21 | 54.7° | 62.6° |
| C13 | C17 | C20 | C22 | 180.0° | 177.3° |
| C17 | C13 | C12 | H12 | 66.1° | 60.9° |
| C17 | C13 | C14 | H14 | 66.9° | 73.5° |
| C13 | C17 | C16 | H16 | 81.3° | 115.8° |
| C13 | C17 | C16 | H16A | 158.7° | 122.7° |
| C17 | C13 | C18 | H18 | 48.7° | 172.7° |
| C17 | C13 | C18 | H18A | 71.4° | 52.8° |
| C17 | C13 | C18 | H18B | 168.7° | 67.3° |
| C13 | C17 | C20 | H20 | 55.9° | 57.3° |
| C18 | C13 | C17 | C20 | 52.8° | 31.2° |
| C18 | C13 | C12 | H12 | 62.0° | 64.6° |
| C18 | C13 | C14 | H14 | 170.1° | 169.5° |
| C18 | C13 | C17 | H17 | 166.0° | 153.3° |
| C13 | C18 | H18 | H18A | 120.0° | 120.0° |
| C13 | C18 | H18 | H18B | 120.0° | 120.0° |
| C13 | C18 | H18A | H18B | 119.9° | 120.0° |
| C19 | C10 | C1 | H1 | 71.7° | 59.5° |
| C19 | C10 | C1 | H1A | 48.3° | 60.6° |
| C19 | C10 | C5 | H5 | 46.4° | 60.4° |
| C19 | C10 | C9 | H9 | 175.3° | 178.5° |
| C10 | C19 | H19 | H19A | 120.0° | 120.0° |
| C10 | C19 | H19 | H19B | 120.0° | 120.0° |
| C10 | C19 | H19A | H19B | 120.0° | 120.0° |
| O1S | S26 | C26 | C25 | 180.0° | 68.4° |
| O1S | S26 | C26 | O3S | 118.8° | 111.6° |
| O1S | S26 | C26 | O2S | 120.7° | 136.8° |
| O1S | S26 | O3S | O2S | 123.3° | 127.8° |
| O1S | S26 | C26 | H26 | 59.9° | 51.6° |
| O1S | S26 | C26 | H26A | 60.1° | 171.7° |
| O1S | S26 | O3S | HO3S | 123.3° | 64.0° |
| C17 | C20 | C21 | C22 | 126.3° | 120.0° |
| C17 | C20 | C21 | H20 | 109.3° | 119.9° |
| C17 | C20 | C22 | H20 | 112.0° | 119.9° |
| C17 | C20 | C22 | C23 | 178.4° | 175.0° |
| C20 | C17 | C16 | H16 | 42.7° | 3.2° |
| C20 | C17 | C16 | H16A | 77.3° | 118.4° |
| C17 | C20 | C21 | H21 | 180.0° | 180.0° |
| C17 | C20 | C21 | H21A | 60.0° | 60.0° |
| C17 | C20 | C21 | H21B | 60.0° | 60.0° |
| C17 | C20 | C22 | H22 | 61.6° | 55.0° |
| C17 | C20 | C22 | H37 | 58.4° | 65.0° |
| C21 | C20 | C22 | H20 | 113.6° | 120.0° |
| C21 | C20 | C22 | C23 | 43.9° | 65.0° |
| C21 | C20 | C17 | H17 | 68.4° | 59.4° |
| C20 | C21 | H21 | H21A | 120.0° | 119.9° |
| C20 | C21 | H21 | H21B | 120.0° | 120.0° |
| C20 | C21 | H21A | H21B | 120.0° | 120.0° |
| C21 | C20 | C22 | H22 | 163.9° | 175.0° |
| C21 | C20 | C22 | H37 | 76.1° | 55.0° |
| C20 | C22 | C23 | H22 | 120.0° | 120.0° |
| C20 | C22 | C23 | H37 | 120.0° | 119.9° |
| C20 | C22 | C23 | C24 | 167.3° | 180.0° |
| C22 | C20 | C17 | H17 | 57.0° | 60.6° |
| C22 | C20 | C21 | H21 | 53.7° | 60.0° |
| C22 | C20 | C21 | H21A | 66.3° | 60.0° |
| C22 | C20 | C21 | H21B | 173.7° | 180.0° |
| C20 | C22 | H22 | H37 | 112.1° | 120.0° |
| C20 | C22 | C23 | H23 | 47.3° | 60.0° |
| C20 | C22 | C23 | H39 | 72.7° | 60.0° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H39 | 120.0° | 120.0° |
| C22 | C23 | C24 | O24 | 30.3° | 0.0° |
| C22 | C23 | C24 | N24 | 149.6° | 180.0° |
| C23 | C22 | C20 | H20 | 69.6° | 55.1° |
| C23 | C22 | H22 | H37 | 112.2° | 120.0° |
| C22 | C23 | H23 | H39 | 115.1° | 120.0° |
| C23 | C24 | O24 | N24 | 180.0° | 179.9° |
| C23 | C24 | N24 | C25 | 179.9° | 180.0° |
| C24 | C23 | C22 | H22 | 72.7° | 60.0° |
| C24 | C23 | C22 | H37 | 47.3° | 60.0° |
| C24 | C23 | H23 | H39 | 115.1° | 120.0° |
| C23 | C24 | N24 | HN24 | 0.1° | 0.1° |
| O24 | C24 | N24 | C25 | 0.1° | 0.1° |
| O24 | C24 | C23 | H23 | 89.7° | 120.0° |
| O24 | C24 | C23 | H39 | 150.3° | 120.0° |
| O24 | C24 | N24 | HN24 | 179.9° | 180.0° |
| C24 | N24 | C25 | HN24 | 180.0° | 179.9° |
| C24 | N24 | C25 | C26 | 99.0° | 179.9° |
| N24 | C24 | C23 | H23 | 90.4° | 59.9° |
| N24 | C24 | C23 | H39 | 29.6° | 60.0° |
| C24 | N24 | C25 | H25 | 141.0° | 59.9° |
| C24 | N24 | C25 | H25A | 21.0° | 60.0° |
| N24 | C25 | C26 | H25 | 120.0° | 120.0° |
| N24 | C25 | C26 | H25A | 120.0° | 120.0° |
| N24 | C25 | C26 | S26 | 179.9° | 180.0° |
| N24 | C25 | H25 | H25A | 118.1° | 120.0° |
| N24 | C25 | C26 | H26 | 59.9° | 60.1° |
| N24 | C25 | C26 | H26A | 60.1° | 60.0° |
| C25 | C26 | S26 | H26 | 120.0° | 120.0° |
| C25 | C26 | S26 | H26A | 120.0° | 120.0° |
| C25 | C26 | S26 | O3S | 61.2° | 180.0° |
| C25 | C26 | S26 | O2S | 59.3° | 68.4° |
| C26 | C25 | N24 | HN24 | 81.0° | 0.0° |
| C26 | C25 | H25 | H25A | 118.2° | 120.0° |
| C25 | C26 | H26 | H26A | 115.4° | 120.0° |
| C26 | S26 | O3S | O2S | 119.5° | 116.1° |
| S26 | C26 | C25 | H25 | 60.1° | 60.0° |
| S26 | C26 | C25 | H25A | 59.9° | 60.0° |
| S26 | C26 | H26 | H26A | 115.4° | 120.0° |
| C26 | S26 | O3S | HO3S | 119.5° | 180.0° |
| O3S | S26 | C26 | H26 | 58.9° | 60.0° |
| O3S | S26 | C26 | H26A | 178.9° | 60.1° |
| O2S | S26 | C26 | H26 | 179.3° | 171.7° |
| O2S | S26 | C26 | H26A | 60.7° | 51.6° |
| O2S | S26 | O3S | HO3S | 0.0° | 63.9° |
| H1 | C1 | C2 | H2 | 63.1° | 60.0° |
| H1 | C1 | C2 | H2A | 56.9° | 60.0° |
| H1A | C1 | C2 | H2 | 56.9° | 60.1° |
| H1A | C1 | C2 | H2A | 176.9° | 179.9° |
| H2 | C2 | C3 | H3 | 60.2° | 59.9° |
| H2A | C2 | C3 | H3 | 179.8° | 179.8° |
| H3 | C3 | O3 | HO3 | 60.9° | 60.0° |
| H3 | C3 | C4 | H4 | 60.5° | 59.8° |
| H3 | C3 | C4 | H4A | 179.5° | 179.9° |
| H4 | C4 | C5 | H5 | 55.6° | 60.1° |
| H4A | C4 | C5 | H5 | 175.6° | 179.9° |
| H5 | C5 | C6 | H6 | 57.3° | 60.3° |
| H5 | C5 | C6 | H6A | 62.7° | 59.8° |
| H6 | C6 | C7 | H7 | 56.4° | 60.0° |
| H6A | C6 | C7 | H7 | 63.7° | 60.0° |
| H7 | C7 | O7 | HO7 | 65.2° | 60.0° |
| H7 | C7 | C8 | H8 | 52.8° | 59.9° |
| H8 | C8 | C9 | H9 | 179.1° | 178.5° |
| H8 | C8 | C14 | H14 | 178.8° | 175.2° |
| H9 | C9 | C11 | H11 | 58.8° | 55.6° |
| H9 | C9 | C11 | H11A | 178.9° | 174.7° |
| H11 | C11 | C12 | H12 | 59.6° | 62.6° |
| H11A | C11 | C12 | H12 | 60.4° | 56.5° |
| H12 | C12 | O12 | HO12 | 61.9° | 61.1° |
| H14 | C14 | C15 | H15 | 144.3° | 165.7° |
| H14 | C14 | C15 | H15A | 24.3° | 42.6° |
| H15 | C15 | C16 | H16 | 8.2° | 24.9° |
| H15 | C15 | C16 | H16A | 111.8° | 146.3° |
| H15A | C15 | C16 | H16 | 128.2° | 98.4° |
| H15A | C15 | C16 | H16A | 8.2° | 23.1° |
| H16 | C16 | C17 | H17 | 155.8° | 125.3° |
| H16A | C16 | C17 | H17 | 35.8° | 3.7° |
| H17 | C17 | C20 | H20 | 179.0° | 179.4° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 70.7° | 60.1° |
| H20 | C20 | C21 | H21A | 169.3° | 180.0° |
| H20 | C20 | C21 | H21B | 49.3° | 60.0° |
| H20 | C20 | C22 | H22 | 50.4° | 65.0° |
| H20 | C20 | C22 | H37 | 170.3° | 175.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H22 | C22 | C23 | H23 | 167.3° | 180.0° |
| H22 | C22 | C23 | H39 | 47.3° | 60.0° |
| H37 | C22 | C23 | H23 | 72.7° | 60.0° |
| H37 | C22 | C23 | H39 | 167.3° | 180.0° |
| HN24 | N24 | C25 | H25 | 39.0° | 120.0° |
| HN24 | N24 | C25 | H25A | 159.0° | 120.1° |
| H25 | C25 | C26 | H26 | 179.9° | 180.0° |
| H25 | C25 | C26 | H26A | 59.9° | 59.9° |
| H25A | C25 | C26 | H26 | 60.1° | 60.0° |
| H25A | C25 | C26 | H26A | 179.9° | 179.9° |
