0S4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C28 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | O32 | sing | 1.43Å | 1.45Å | |
| C29 | O30 | sing | 1.43Å | 1.44Å | |
| O30 | C15 | sing | 1.36Å | 1.37Å | |
| C17 | C15 | doub | 1.39Å | 1.47Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.55Å | Aromatic |
| O22 | N23 | sing | 1.42Å | 1.37Å | |
| C18 | C8 | doub | 1.38Å | 1.47Å | Aromatic |
| N23 | C21 | sing | 1.35Å | 1.31Å | |
| C12 | C9 | sing | 1.53Å | 1.59Å | |
| C14 | C16 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| O19 | C2 | sing | 1.36Å | 1.34Å | |
| O19 | C20 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.52Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.62Å | |
| C2 | C3 | sing | 1.39Å | 1.52Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.48Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C21 | O24 | doub | 1.21Å | 1.23Å | |
| C3 | C33 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.49Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.61Å | |
| C9 | C7 | sing | 1.53Å | 1.64Å | |
| C7 | C10 | sing | 1.53Å | 1.65Å | |
| C10 | C11 | sing | 1.53Å | 1.60Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| O22 | H20 | sing | 0.97Å | 0.95Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| O32 | H36 | sing | 0.97Å | 0.95Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C28 | 109.1° | 109.5° |
| C26 | C25 | C27 | 106.3° | 109.5° |
| C26 | C25 | C31 | 112.3° | 109.5° |
| C25 | C26 | H24 | 109.5° | 109.4° |
| C25 | C26 | H25 | 109.5° | 109.4° |
| C25 | C26 | H26 | 109.4° | 109.5° |
| C28 | C25 | C27 | 110.0° | 109.5° |
| C28 | C25 | C31 | 105.3° | 109.4° |
| C25 | C28 | H30 | 109.5° | 109.4° |
| C25 | C28 | H31 | 109.5° | 109.5° |
| C25 | C28 | H32 | 109.5° | 109.5° |
| C27 | C25 | C31 | 113.8° | 109.4° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H28 | 109.5° | 109.5° |
| C25 | C27 | H29 | 109.5° | 109.5° |
| C25 | C31 | C29 | 114.4° | 109.5° |
| C25 | C31 | O32 | 111.6° | 109.4° |
| C25 | C31 | H35 | 107.9° | 109.5° |
| C29 | C31 | O32 | 105.3° | 109.5° |
| C31 | C29 | O30 | 110.4° | 109.5° |
| C31 | C29 | H33 | 109.2° | 109.5° |
| C31 | C29 | H34 | 109.2° | 109.4° |
| C29 | C31 | H35 | 108.3° | 109.4° |
| O32 | C31 | H35 | 109.2° | 109.5° |
| C31 | O32 | H36 | 109.5° | 114.0° |
| C29 | O30 | C15 | 119.7° | 117.0° |
| O30 | C29 | H33 | 109.3° | 109.5° |
| O30 | C29 | H34 | 109.2° | 109.5° |
| O30 | C15 | C17 | 120.7° | 120.0° |
| O30 | C15 | C14 | 119.9° | 120.1° |
| C15 | C17 | C18 | 120.8° | 119.9° |
| C17 | C15 | C14 | 119.4° | 119.9° |
| C15 | C17 | H18 | 119.6° | 120.0° |
| C17 | C18 | C8 | 123.5° | 120.0° |
| C18 | C17 | H18 | 119.6° | 120.0° |
| C17 | C18 | H19 | 118.3° | 120.0° |
| C15 | C14 | C16 | 121.1° | 120.0° |
| C15 | C14 | C13 | 117.3° | 119.9° |
| O22 | N23 | C21 | 116.0° | 120.0° |
| N23 | O22 | H20 | 109.5° | 114.0° |
| O22 | N23 | H23 | 122.0° | 120.0° |
| C18 | C8 | C13 | 117.1° | 120.2° |
| C18 | C8 | C7 | 120.0° | 119.9° |
| C8 | C18 | H19 | 118.2° | 120.0° |
| N23 | C21 | C20 | 115.4° | 120.0° |
| N23 | C21 | O24 | 122.7° | 120.0° |
| C21 | N23 | H23 | 122.0° | 120.0° |
| C12 | C9 | C7 | 121.8° | 109.5° |
| C12 | C9 | H4 | 106.3° | 109.4° |
| C12 | C9 | H5 | 106.3° | 109.5° |
| C9 | C12 | H11 | 109.5° | 109.4° |
| C9 | C12 | H12 | 109.4° | 109.5° |
| C9 | C12 | H13 | 109.5° | 109.5° |
| C16 | C14 | C13 | 121.5° | 120.0° |
| C14 | C16 | H15 | 109.5° | 109.4° |
| C14 | C16 | H16 | 109.5° | 109.5° |
| C14 | C16 | H17 | 109.5° | 109.4° |
| C14 | C13 | C8 | 121.8° | 120.0° |
| C14 | C13 | H14 | 119.1° | 120.0° |
| C2 | O19 | C20 | 117.4° | 117.0° |
| O19 | C2 | C1 | 120.0° | 120.1° |
| O19 | C2 | C3 | 119.2° | 120.1° |
| O19 | C20 | C21 | 113.4° | 109.5° |
| O19 | C20 | H21 | 108.5° | 109.5° |
| O19 | C20 | H22 | 108.5° | 109.5° |
| C2 | C1 | C6 | 119.9° | 120.0° |
| C1 | C2 | C3 | 120.8° | 119.8° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C6 | C5 | 123.0° | 120.0° |
| C6 | C1 | H1 | 120.1° | 120.0° |
| C1 | C6 | H3 | 118.5° | 119.9° |
| C13 | C8 | C7 | 122.9° | 119.9° |
| C8 | C13 | H14 | 119.1° | 120.0° |
| C8 | C7 | C5 | 119.3° | 109.4° |
| C8 | C7 | C9 | 105.3° | 109.5° |
| C8 | C7 | C10 | 111.0° | 109.5° |
| C2 | C3 | C33 | 123.9° | 120.0° |
| C2 | C3 | C4 | 117.8° | 120.0° |
| C6 | C5 | C4 | 116.3° | 120.2° |
| C6 | C5 | C7 | 123.7° | 119.9° |
| C5 | C6 | H3 | 118.5° | 120.1° |
| C20 | C21 | O24 | 121.9° | 120.0° |
| C21 | C20 | H21 | 108.5° | 109.5° |
| C21 | C20 | H22 | 108.5° | 109.5° |
| C33 | C3 | C4 | 118.3° | 120.0° |
| C3 | C33 | H37 | 109.5° | 109.5° |
| C3 | C33 | H38 | 109.5° | 109.5° |
| C3 | C33 | H39 | 109.5° | 109.5° |
| C3 | C4 | C5 | 122.1° | 120.0° |
| C3 | C4 | H2 | 118.9° | 120.0° |
| C4 | C5 | C7 | 120.0° | 119.9° |
| C5 | C4 | H2 | 118.9° | 120.0° |
| C5 | C7 | C9 | 112.2° | 109.4° |
| C5 | C7 | C10 | 101.8° | 109.5° |
| C9 | C7 | C10 | 106.7° | 109.5° |
| C7 | C9 | H4 | 106.3° | 109.5° |
| C7 | C9 | H5 | 106.3° | 109.5° |
| C7 | C10 | C11 | 122.7° | 109.4° |
| C7 | C10 | H6 | 106.1° | 109.5° |
| C7 | C10 | H7 | 106.1° | 109.5° |
| C11 | C10 | H6 | 106.1° | 109.4° |
| C11 | C10 | H7 | 106.1° | 109.5° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.4° | 109.5° |
| C10 | C11 | H10 | 109.5° | 109.4° |
| H4 | C9 | H5 | 109.5° | 109.4° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.4° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H24 | C26 | H26 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.4° | 109.5° |
| H27 | C27 | H28 | 109.4° | 109.5° |
| H27 | C27 | H29 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.4° |
| H30 | C28 | H31 | 109.5° | 109.4° |
| H30 | C28 | H32 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.4° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.4° |
| H37 | C33 | H38 | 109.4° | 109.4° |
| H37 | C33 | H39 | 109.4° | 109.4° |
| H38 | C33 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C28 | C27 | 116.2° | 120.0° |
| C26 | C25 | C28 | C31 | 120.8° | 120.1° |
| C26 | C25 | C27 | C31 | 124.1° | 120.0° |
| C26 | C25 | C31 | C29 | 59.8° | 180.0° |
| C26 | C25 | C31 | O32 | 179.2° | 60.0° |
| C25 | C26 | H24 | H25 | 120.0° | 119.9° |
| C25 | C26 | H24 | H26 | 120.0° | 120.0° |
| C25 | C26 | H25 | H26 | 120.0° | 120.0° |
| C26 | C25 | C27 | H27 | 180.0° | 60.0° |
| C26 | C25 | C27 | H28 | 60.0° | 60.0° |
| C26 | C25 | C27 | H29 | 60.0° | 179.9° |
| C26 | C25 | C28 | H30 | 180.0° | 59.9° |
| C26 | C25 | C28 | H31 | 60.0° | 60.0° |
| C26 | C25 | C28 | H32 | 60.0° | 179.9° |
| C26 | C25 | C31 | H35 | 60.9° | 60.0° |
| C28 | C25 | C27 | C31 | 117.9° | 119.9° |
| C28 | C25 | C31 | C29 | 178.4° | 59.9° |
| C28 | C25 | C31 | O32 | 62.2° | 180.0° |
| C28 | C25 | C26 | H24 | 180.0° | 180.0° |
| C28 | C25 | C26 | H25 | 60.0° | 60.0° |
| C28 | C25 | C26 | H26 | 60.0° | 60.0° |
| C28 | C25 | C27 | H27 | 62.0° | 180.0° |
| C28 | C25 | C27 | H28 | 57.9° | 60.0° |
| C28 | C25 | C27 | H29 | 177.9° | 59.9° |
| C25 | C28 | H30 | H31 | 120.0° | 119.9° |
| C25 | C28 | H30 | H32 | 120.0° | 120.0° |
| C25 | C28 | H31 | H32 | 120.0° | 120.1° |
| C28 | C25 | C31 | H35 | 57.7° | 60.0° |
| C27 | C25 | C31 | C29 | 61.0° | 60.0° |
| C27 | C25 | C31 | O32 | 58.4° | 60.0° |
| C27 | C25 | C26 | H24 | 61.4° | 60.0° |
| C27 | C25 | C26 | H25 | 58.6° | 180.0° |
| C27 | C25 | C26 | H26 | 178.6° | 60.0° |
| C25 | C27 | H27 | H28 | 120.0° | 120.0° |
| C25 | C27 | H27 | H29 | 120.0° | 120.1° |
| C25 | C27 | H28 | H29 | 120.0° | 120.0° |
| C27 | C25 | C28 | H30 | 63.8° | 60.1° |
| C27 | C25 | C28 | H31 | 176.2° | 180.0° |
| C27 | C25 | C28 | H32 | 56.2° | 59.9° |
| C27 | C25 | C31 | H35 | 178.3° | 180.0° |
| C25 | C31 | C29 | O32 | 122.9° | 120.0° |
| C25 | C31 | C29 | H35 | 120.4° | 120.0° |
| C25 | C31 | O32 | H35 | 119.2° | 120.0° |
| C25 | C31 | C29 | O30 | 178.9° | 175.0° |
| C31 | C25 | C26 | H24 | 63.6° | 60.0° |
| C31 | C25 | C26 | H25 | 176.4° | 60.0° |
| C31 | C25 | C26 | H26 | 56.4° | 180.0° |
| C31 | C25 | C27 | H27 | 55.9° | 60.0° |
| C31 | C25 | C27 | H28 | 175.9° | 179.9° |
| C31 | C25 | C27 | H29 | 64.1° | 60.0° |
| C31 | C25 | C28 | H30 | 59.2° | 180.0° |
| C31 | C25 | C28 | H31 | 60.8° | 60.1° |
| C31 | C25 | C28 | H32 | 179.2° | 60.0° |
| C25 | C31 | C29 | H33 | 60.9° | 54.9° |
| C25 | C31 | C29 | H34 | 58.8° | 65.0° |
| C25 | C31 | O32 | H36 | 180.0° | 60.1° |
| C29 | C31 | O32 | H35 | 116.1° | 120.0° |
| C31 | C29 | O30 | H33 | 120.1° | 120.1° |
| C31 | C29 | O30 | H34 | 120.2° | 119.9° |
| C31 | C29 | O30 | C15 | 178.8° | 180.0° |
| C31 | C29 | H33 | H34 | 119.6° | 119.9° |
| C29 | C31 | O32 | H36 | 55.3° | 60.0° |
| O32 | C31 | C29 | O30 | 58.2° | 65.0° |
| O32 | C31 | C29 | H33 | 61.9° | 175.0° |
| O32 | C31 | C29 | H34 | 178.4° | 55.0° |
| C29 | O30 | C15 | C17 | 26.2° | 0.1° |
| C29 | O30 | C15 | C14 | 154.0° | 179.9° |
| O30 | C29 | H33 | H34 | 119.6° | 120.0° |
| O30 | C29 | C31 | H35 | 58.5° | 55.0° |
| O30 | C15 | C17 | C14 | 179.8° | 180.0° |
| O30 | C15 | C17 | C18 | 179.9° | 179.8° |
| O30 | C15 | C14 | C16 | 0.1° | 0.0° |
| O30 | C15 | C14 | C13 | 179.8° | 180.0° |
| O30 | C15 | C17 | H18 | 0.1° | 0.0° |
| C15 | O30 | C29 | H33 | 61.1° | 59.9° |
| C15 | O30 | C29 | H34 | 58.6° | 60.1° |
| C15 | C17 | C18 | H18 | 180.0° | 179.8° |
| C15 | C17 | C18 | C8 | 0.0° | 0.5° |
| C17 | C15 | C14 | C16 | 180.0° | 180.0° |
| C17 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C17 | C18 | H19 | 180.0° | 180.0° |
| C18 | C17 | C15 | C14 | 0.0° | 0.2° |
| C17 | C18 | C8 | H19 | 180.0° | 179.5° |
| C17 | C18 | C8 | C13 | 0.0° | 0.5° |
| C17 | C18 | C8 | C7 | 179.9° | 179.8° |
| C15 | C14 | C16 | C13 | 179.9° | 180.0° |
| C15 | C14 | C13 | C8 | 0.1° | 0.0° |
| C15 | C14 | C13 | H14 | 179.9° | 180.0° |
| C15 | C14 | C16 | H15 | 90.0° | 90.1° |
| C15 | C14 | C16 | H16 | 150.0° | 30.0° |
| C15 | C14 | C16 | H17 | 30.0° | 150.0° |
| C14 | C15 | C17 | H18 | 180.0° | 180.0° |
| O22 | N23 | C21 | H23 | 180.0° | 179.9° |
| O22 | N23 | C21 | C20 | 159.2° | 180.0° |
| O22 | N23 | C21 | O24 | 20.6° | 0.1° |
| C18 | C8 | C13 | C14 | 0.1° | 0.3° |
| C18 | C8 | C13 | C7 | 179.8° | 179.7° |
| C18 | C8 | C7 | C5 | 37.0° | 127.3° |
| C18 | C8 | C7 | C9 | 90.0° | 112.7° |
| C18 | C8 | C7 | C10 | 154.9° | 7.3° |
| C18 | C8 | C13 | H14 | 179.9° | 179.7° |
| C8 | C18 | C17 | H18 | 180.0° | 179.7° |
| N23 | C21 | C20 | O19 | 18.0° | 180.0° |
| N23 | C21 | C20 | O24 | 179.9° | 179.9° |
| C21 | N23 | O22 | H20 | 9.4° | 180.0° |
| N23 | C21 | C20 | H21 | 138.5° | 59.9° |
| N23 | C21 | C20 | H22 | 102.6° | 60.0° |
| C12 | C9 | C7 | C8 | 62.6° | 65.6° |
| C12 | C9 | C7 | C5 | 68.7° | 54.4° |
| C12 | C9 | C7 | H4 | 121.7° | 120.0° |
| C12 | C9 | C7 | H5 | 121.7° | 120.0° |
| C12 | C9 | C7 | C10 | 179.4° | 174.4° |
| C12 | C9 | H4 | H5 | 114.4° | 119.9° |
| C9 | C12 | H11 | H12 | 120.0° | 120.0° |
| C9 | C12 | H11 | H13 | 120.0° | 120.0° |
| C9 | C12 | H12 | H13 | 120.0° | 120.0° |
| C16 | C14 | C13 | C8 | 180.0° | 180.0° |
| C16 | C14 | C13 | H14 | 0.0° | 0.0° |
| C14 | C16 | H15 | H16 | 120.0° | 120.0° |
| C14 | C16 | H15 | H17 | 120.0° | 119.9° |
| C14 | C16 | H16 | H17 | 120.0° | 119.9° |
| C14 | C13 | C8 | H14 | 180.0° | 180.0° |
| C14 | C13 | C8 | C7 | 179.9° | 180.0° |
| C13 | C14 | C16 | H15 | 90.0° | 90.0° |
| C13 | C14 | C16 | H16 | 30.0° | 150.0° |
| C13 | C14 | C16 | H17 | 150.0° | 30.0° |
| O19 | C2 | C1 | C3 | 179.9° | 179.9° |
| O19 | C2 | C1 | C6 | 179.9° | 180.0° |
| C2 | O19 | C20 | C21 | 140.0° | 180.0° |
| O19 | C2 | C3 | C33 | 0.1° | 0.0° |
| O19 | C2 | C3 | C4 | 179.9° | 180.0° |
| O19 | C2 | C1 | H1 | 0.1° | 0.3° |
| C2 | O19 | C20 | H21 | 99.4° | 60.0° |
| C2 | O19 | C20 | H22 | 19.4° | 59.9° |
| C20 | O19 | C2 | C1 | 79.9° | 0.0° |
| C20 | O19 | C2 | C3 | 100.1° | 180.0° |
| O19 | C20 | C21 | H21 | 120.6° | 120.0° |
| O19 | C20 | C21 | H22 | 120.6° | 120.1° |
| O19 | C20 | C21 | O24 | 161.9° | 0.0° |
| O19 | C20 | H21 | H22 | 118.2° | 120.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C1 | C2 | C3 | C33 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | C7 | 179.5° | 180.0° |
| C13 | C8 | C7 | C5 | 143.1° | 53.0° |
| C13 | C8 | C7 | C9 | 89.8° | 67.0° |
| C13 | C8 | C7 | C10 | 25.2° | 173.0° |
| C13 | C8 | C18 | H19 | 180.0° | 180.0° |
| C8 | C7 | C5 | C6 | 31.4° | 8.2° |
| C8 | C7 | C5 | C4 | 149.2° | 171.9° |
| C8 | C7 | C5 | C9 | 123.7° | 120.0° |
| C8 | C7 | C5 | C10 | 122.6° | 120.0° |
| C8 | C7 | C9 | C10 | 118.1° | 120.0° |
| C8 | C7 | C10 | C11 | 65.9° | 65.8° |
| C8 | C7 | C9 | H4 | 175.7° | 174.4° |
| C8 | C7 | C9 | H5 | 59.2° | 54.4° |
| C8 | C7 | C10 | H6 | 172.3° | 54.1° |
| C8 | C7 | C10 | H7 | 56.0° | 174.2° |
| C7 | C8 | C13 | H14 | 0.1° | 0.0° |
| C7 | C8 | C18 | H19 | 0.1° | 0.3° |
| C2 | C3 | C33 | C4 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C2 | C3 | C4 | H2 | 179.8° | 180.0° |
| C2 | C3 | C33 | H37 | 90.0° | 90.0° |
| C2 | C3 | C33 | H38 | 150.0° | 150.1° |
| C2 | C3 | C33 | H39 | 30.0° | 30.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C6 | C5 | C4 | C7 | 179.4° | 180.0° |
| C6 | C5 | C7 | C9 | 155.2° | 128.1° |
| C6 | C5 | C7 | C10 | 91.1° | 111.8° |
| C5 | C6 | C1 | H1 | 179.9° | 179.8° |
| C6 | C5 | C4 | H2 | 179.8° | 180.0° |
| C21 | C20 | H21 | H22 | 118.2° | 119.9° |
| C20 | C21 | N23 | H23 | 20.8° | 0.1° |
| O24 | C21 | C20 | H21 | 41.3° | 120.0° |
| O24 | C21 | C20 | H22 | 77.5° | 120.1° |
| O24 | C21 | N23 | H23 | 159.4° | 180.0° |
| C33 | C3 | C4 | C5 | 179.9° | 180.0° |
| C33 | C3 | C4 | H2 | 0.1° | 0.0° |
| C3 | C33 | H37 | H38 | 120.0° | 120.0° |
| C3 | C33 | H37 | H39 | 120.0° | 120.0° |
| C3 | C33 | H38 | H39 | 120.0° | 120.1° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 179.6° | 180.0° |
| C4 | C3 | C33 | H37 | 90.0° | 90.0° |
| C4 | C3 | C33 | H38 | 30.0° | 29.9° |
| C4 | C3 | C33 | H39 | 150.0° | 150.0° |
| C4 | C5 | C7 | C9 | 25.5° | 51.9° |
| C4 | C5 | C7 | C10 | 88.2° | 68.1° |
| C4 | C5 | C6 | H3 | 179.8° | 180.0° |
| C5 | C7 | C9 | C10 | 110.7° | 120.0° |
| C5 | C7 | C10 | C11 | 62.2° | 54.2° |
| C7 | C5 | C4 | H2 | 0.4° | 0.0° |
| C7 | C5 | C6 | H3 | 0.4° | 0.0° |
| C5 | C7 | C9 | H4 | 53.0° | 65.7° |
| C5 | C7 | C9 | H5 | 169.6° | 174.4° |
| C5 | C7 | C10 | H6 | 59.6° | 174.1° |
| C5 | C7 | C10 | H7 | 176.0° | 65.9° |
| C9 | C7 | C10 | C11 | 179.9° | 174.2° |
| C7 | C9 | H4 | H5 | 114.4° | 120.0° |
| C9 | C7 | C10 | H6 | 58.1° | 65.9° |
| C9 | C7 | C10 | H7 | 58.2° | 54.1° |
| C7 | C9 | C12 | H11 | 180.0° | 49.0° |
| C7 | C9 | C12 | H12 | 60.0° | 169.0° |
| C7 | C9 | C12 | H13 | 60.0° | 71.0° |
| C7 | C10 | C11 | H6 | 121.8° | 119.9° |
| C7 | C10 | C11 | H7 | 121.8° | 120.0° |
| C10 | C7 | C9 | H4 | 57.7° | 54.3° |
| C10 | C7 | C9 | H5 | 58.9° | 65.6° |
| C7 | C10 | H6 | H7 | 114.0° | 120.1° |
| C7 | C10 | C11 | H8 | 180.0° | 56.8° |
| C7 | C10 | C11 | H9 | 60.0° | 63.3° |
| C7 | C10 | C11 | H10 | 60.0° | 176.7° |
| C11 | C10 | H6 | H7 | 114.1° | 120.0° |
| C10 | C11 | H8 | H9 | 120.0° | 120.1° |
| C10 | C11 | H8 | H10 | 120.0° | 119.9° |
| C10 | C11 | H9 | H10 | 120.0° | 120.0° |
| H1 | C1 | C6 | H3 | 0.1° | 0.2° |
| H4 | C9 | C12 | H11 | 58.2° | 71.1° |
| H4 | C9 | C12 | H12 | 61.7° | 48.9° |
| H4 | C9 | C12 | H13 | 178.3° | 168.9° |
| H5 | C9 | C12 | H11 | 58.3° | 169.0° |
| H5 | C9 | C12 | H12 | 178.3° | 71.0° |
| H5 | C9 | C12 | H13 | 61.7° | 49.0° |
| H6 | C10 | C11 | H8 | 58.2° | 176.7° |
| H6 | C10 | C11 | H9 | 178.2° | 56.7° |
| H6 | C10 | C11 | H10 | 61.8° | 63.3° |
| H7 | C10 | C11 | H8 | 58.2° | 63.2° |
| H7 | C10 | C11 | H9 | 61.8° | 176.7° |
| H7 | C10 | C11 | H10 | 178.2° | 56.7° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.0° |
| H15 | C16 | H16 | H17 | 119.9° | 120.1° |
| H18 | C17 | C18 | H19 | 0.0° | 0.2° |
| H20 | O22 | N23 | H23 | 170.6° | 0.0° |
| H24 | C26 | H25 | H26 | 120.0° | 120.1° |
| H27 | C27 | H28 | H29 | 120.0° | 120.0° |
| H30 | C28 | H31 | H32 | 120.0° | 120.0° |
| H33 | C29 | C31 | H35 | 178.7° | 65.0° |
| H34 | C29 | C31 | H35 | 61.7° | 175.0° |
| H35 | C31 | O32 | H36 | 60.8° | 180.0° |
| H37 | C33 | H38 | H39 | 120.0° | 119.9° |
