AA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C16 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C25 | C8 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.33Å | 1.33Å | |
| C13 | C14 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | doub | 1.33Å | 1.35Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C14 | C27 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | doub | 1.33Å | 1.35Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.47Å | 1.49Å | |
| O2 | C5 | sing | 1.43Å | 1.43Å | |
| C10 | C26 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | doub | 1.33Å | 1.34Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| O3 | C17 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C29 | C18 | sing | 1.53Å | 1.53Å | |
| C1 | O1' | sing | 1.34Å | 1.25Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C31 | C22 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O4 | sing | 1.43Å | 1.43Å | |
| C20 | C30 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| O6 | C24 | doub | 1.22Å | 1.24Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | doub | 1.33Å | 1.35Å | |
| C24 | C23 | sing | 1.47Å | 1.48Å | |
| C24 | O5 | sing | 1.35Å | 1.24Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| C23 | H2 | sing | 1.08Å | 1.08Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C31 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.08Å | 1.08Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| O2 | H43 | sing | 0.97Å | 0.95Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C4 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| C2 | H47 | sing | 1.09Å | 1.10Å | |
| O1' | H48 | sing | 0.97Å | 0.95Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C16 | C15 | 108.9° | 109.5° |
| C28 | C16 | C17 | 109.8° | 109.5° |
| C28 | C16 | H18 | 109.3° | 109.5° |
| C16 | C28 | H19 | 109.5° | 109.5° |
| C16 | C28 | H20 | 109.5° | 109.4° |
| C16 | C28 | H21 | 109.5° | 109.4° |
| C12 | C11 | C10 | 110.5° | 109.5° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C12 | H27 | 120.0° | 120.0° |
| C12 | C11 | H28 | 109.2° | 109.4° |
| C12 | C11 | H29 | 109.2° | 109.5° |
| C11 | C10 | C9 | 110.5° | 109.4° |
| C11 | C10 | C26 | 110.4° | 109.5° |
| C10 | C11 | H28 | 109.2° | 109.5° |
| C10 | C11 | H29 | 109.2° | 109.5° |
| C11 | C10 | H30 | 109.0° | 109.4° |
| C25 | C8 | C9 | 117.7° | 120.0° |
| C25 | C8 | C7 | 121.3° | 120.0° |
| C8 | C25 | H36 | 109.5° | 109.5° |
| C8 | C25 | H37 | 109.5° | 109.5° |
| C8 | C25 | H38 | 109.5° | 109.5° |
| C12 | C13 | C14 | 122.0° | 120.0° |
| C12 | C13 | H26 | 119.0° | 120.0° |
| C13 | C12 | H27 | 120.0° | 120.0° |
| C13 | C14 | C15 | 117.4° | 120.0° |
| C13 | C14 | C27 | 121.0° | 120.0° |
| C14 | C13 | H26 | 119.0° | 119.9° |
| C14 | C15 | C16 | 123.2° | 120.0° |
| C15 | C14 | C27 | 121.6° | 120.0° |
| C14 | C15 | H22 | 118.4° | 120.0° |
| C15 | C16 | C17 | 109.8° | 109.5° |
| C15 | C16 | H18 | 109.4° | 109.4° |
| C16 | C15 | H22 | 118.4° | 120.0° |
| C14 | C27 | H23 | 109.5° | 109.5° |
| C14 | C27 | H24 | 109.5° | 109.5° |
| C14 | C27 | H25 | 109.5° | 109.5° |
| C16 | C17 | O3 | 119.0° | 120.0° |
| C16 | C17 | C18 | 119.2° | 120.0° |
| C17 | C16 | H18 | 109.6° | 109.5° |
| C8 | C9 | C10 | 123.9° | 120.0° |
| C9 | C8 | C7 | 121.1° | 120.0° |
| C8 | C9 | H34 | 118.1° | 120.0° |
| C9 | C10 | C26 | 109.0° | 109.5° |
| C9 | C10 | H30 | 109.0° | 109.5° |
| C10 | C9 | H34 | 118.0° | 120.0° |
| C8 | C7 | C6 | 125.8° | 120.0° |
| C8 | C7 | H39 | 117.1° | 120.0° |
| O2 | C5 | C6 | 105.3° | 109.5° |
| O2 | C5 | C4 | 108.6° | 109.5° |
| O2 | C5 | H42 | 109.5° | 109.4° |
| C5 | O2 | H43 | 109.5° | 114.0° |
| C26 | C10 | H30 | 108.9° | 109.5° |
| C10 | C26 | H31 | 109.5° | 109.4° |
| C10 | C26 | H32 | 109.4° | 109.5° |
| C10 | C26 | H33 | 109.4° | 109.5° |
| C7 | C6 | C5 | 114.3° | 120.0° |
| C6 | C7 | H39 | 117.1° | 120.0° |
| C7 | C6 | H40 | 122.9° | 119.9° |
| C6 | C5 | C4 | 116.6° | 109.5° |
| C5 | C6 | H40 | 122.8° | 120.0° |
| C6 | C5 | H42 | 108.4° | 109.5° |
| O3 | C17 | C18 | 121.8° | 120.0° |
| C5 | C4 | C3 | 112.1° | 109.5° |
| C4 | C5 | H42 | 108.3° | 109.5° |
| C5 | C4 | H44 | 108.8° | 109.5° |
| C5 | C4 | H45 | 108.8° | 109.4° |
| C17 | C18 | C29 | 107.5° | 109.5° |
| C17 | C18 | C19 | 112.8° | 109.5° |
| C17 | C18 | H14 | 108.5° | 109.4° |
| C4 | C3 | C2 | 115.9° | 109.4° |
| C3 | C4 | H44 | 108.8° | 109.5° |
| C3 | C4 | H45 | 108.8° | 109.5° |
| C4 | C3 | H46 | 107.8° | 109.5° |
| C4 | C3 | H35 | 107.8° | 109.5° |
| C3 | C2 | C1 | 115.2° | 109.4° |
| C2 | C3 | H46 | 107.8° | 109.5° |
| C3 | C2 | H47 | 108.0° | 109.5° |
| C2 | C3 | H35 | 107.8° | 109.5° |
| C3 | C2 | H41 | 108.0° | 109.6° |
| C2 | C1 | O1 | 117.1° | 120.0° |
| C2 | C1 | O1' | 121.4° | 120.0° |
| C1 | C2 | H47 | 108.0° | 109.4° |
| C1 | C2 | H41 | 108.0° | 109.4° |
| O1 | C1 | O1' | 121.5° | 120.0° |
| C29 | C18 | C19 | 111.4° | 109.5° |
| C29 | C18 | H14 | 108.2° | 109.5° |
| C18 | C29 | H15 | 109.5° | 109.4° |
| C18 | C29 | H16 | 109.4° | 109.5° |
| C18 | C29 | H17 | 109.4° | 109.4° |
| C1 | O1' | H48 | 109.5° | 117.0° |
| C18 | C19 | C20 | 114.3° | 109.5° |
| C18 | C19 | O4 | 109.3° | 109.5° |
| C18 | C19 | H12 | 107.8° | 109.5° |
| C19 | C18 | H14 | 108.2° | 109.5° |
| C31 | C22 | C21 | 118.7° | 120.0° |
| C31 | C22 | C23 | 121.7° | 120.0° |
| C22 | C31 | H3 | 109.5° | 109.5° |
| C22 | C31 | H4 | 109.4° | 109.5° |
| C22 | C31 | H5 | 109.5° | 109.5° |
| C20 | C19 | O4 | 108.3° | 109.5° |
| C19 | C20 | C30 | 111.9° | 109.5° |
| C19 | C20 | C21 | 111.2° | 109.5° |
| C19 | C20 | H8 | 107.9° | 109.5° |
| C20 | C19 | H12 | 107.9° | 109.5° |
| O4 | C19 | H12 | 109.2° | 109.5° |
| C19 | O4 | H13 | 109.5° | 114.0° |
| C30 | C20 | C21 | 109.8° | 109.4° |
| C30 | C20 | H8 | 108.0° | 109.5° |
| C20 | C30 | H9 | 109.5° | 109.5° |
| C20 | C30 | H10 | 109.5° | 109.5° |
| C20 | C30 | H11 | 109.5° | 109.5° |
| C20 | C21 | C22 | 110.9° | 109.5° |
| C20 | C21 | H6 | 109.1° | 109.5° |
| C20 | C21 | H7 | 109.1° | 109.5° |
| C21 | C20 | H8 | 108.0° | 109.5° |
| O6 | C24 | C23 | 121.5° | 120.0° |
| O6 | C24 | O5 | 120.4° | 120.0° |
| C21 | C22 | C23 | 119.5° | 120.0° |
| C22 | C21 | H6 | 109.1° | 109.5° |
| C22 | C21 | H7 | 109.1° | 109.5° |
| C22 | C23 | C24 | 122.7° | 120.0° |
| C22 | C23 | H2 | 118.7° | 120.0° |
| C23 | C24 | O5 | 118.2° | 120.0° |
| C24 | C23 | H2 | 118.7° | 120.0° |
| C24 | O5 | H1 | 109.5° | 117.0° |
| H3 | C31 | H4 | 109.5° | 109.4° |
| H3 | C31 | H5 | 109.5° | 109.5° |
| H4 | C31 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.4° |
| H9 | C30 | H10 | 109.5° | 109.5° |
| H9 | C30 | H11 | 109.5° | 109.4° |
| H10 | C30 | H11 | 109.4° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.5° |
| H15 | C29 | H17 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.4° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.4° |
| H28 | C11 | H29 | 109.5° | 109.4° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| H31 | C26 | H33 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| H36 | C25 | H38 | 109.5° | 109.5° |
| H37 | C25 | H38 | 109.5° | 109.4° |
| H44 | C4 | H45 | 109.5° | 109.5° |
| H46 | C3 | H35 | 109.5° | 109.5° |
| H47 | C2 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C16 | C15 | C14 | 134.0° | 125.0° |
| C28 | C16 | C15 | C17 | 120.3° | 120.0° |
| C28 | C16 | C15 | H18 | 119.4° | 120.0° |
| C28 | C16 | C17 | H18 | 120.0° | 120.0° |
| C28 | C16 | C17 | O3 | 48.6° | 95.0° |
| C28 | C16 | C17 | C18 | 130.9° | 85.0° |
| C16 | C28 | H19 | H20 | 120.0° | 120.0° |
| C16 | C28 | H19 | H21 | 120.0° | 119.9° |
| C16 | C28 | H20 | H21 | 120.0° | 120.0° |
| C28 | C16 | C15 | H22 | 46.0° | 55.1° |
| C12 | C11 | C10 | H28 | 120.1° | 120.0° |
| C12 | C11 | C10 | H29 | 120.1° | 120.0° |
| C11 | C12 | C13 | H27 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C12 | C11 | C10 | C9 | 174.5° | 175.0° |
| C12 | C11 | C10 | C26 | 64.9° | 65.0° |
| C11 | C12 | C13 | H26 | 0.5° | 0.1° |
| C12 | C11 | H28 | H29 | 119.5° | 120.0° |
| C12 | C11 | C10 | H30 | 54.7° | 55.0° |
| C10 | C11 | C12 | C13 | 133.4° | 125.0° |
| C11 | C10 | C9 | C8 | 128.8° | 125.1° |
| C11 | C10 | C9 | C26 | 121.5° | 120.0° |
| C11 | C10 | C9 | H30 | 119.7° | 119.9° |
| C11 | C10 | C26 | H30 | 119.6° | 120.0° |
| C10 | C11 | C12 | H27 | 46.6° | 55.0° |
| C10 | C11 | H28 | H29 | 119.5° | 120.0° |
| C11 | C10 | C26 | H31 | 180.0° | 180.0° |
| C11 | C10 | C26 | H32 | 60.0° | 60.0° |
| C11 | C10 | C26 | H33 | 60.0° | 60.1° |
| C11 | C10 | C9 | H34 | 51.2° | 55.0° |
| C25 | C8 | C9 | C7 | 179.0° | 180.0° |
| C25 | C8 | C9 | C10 | 179.2° | 174.9° |
| C25 | C8 | C7 | C6 | 4.5° | 5.3° |
| C25 | C8 | C9 | H34 | 0.8° | 5.1° |
| C8 | C25 | H36 | H37 | 120.0° | 120.0° |
| C8 | C25 | H36 | H38 | 120.0° | 120.0° |
| C8 | C25 | H37 | H38 | 120.0° | 120.0° |
| C25 | C8 | C7 | H39 | 175.5° | 174.8° |
| C12 | C13 | C14 | H26 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 176.6° | 180.0° |
| C12 | C13 | C14 | C27 | 2.8° | 0.1° |
| C13 | C12 | C11 | H28 | 13.3° | 115.0° |
| C13 | C12 | C11 | H29 | 106.4° | 4.9° |
| C13 | C14 | C15 | C27 | 179.4° | 179.9° |
| C13 | C14 | C15 | C16 | 179.3° | 175.5° |
| C13 | C14 | C15 | H22 | 0.7° | 4.6° |
| C13 | C14 | C27 | H23 | 180.0° | 86.2° |
| C13 | C14 | C27 | H24 | 60.0° | 33.8° |
| C13 | C14 | C27 | H25 | 60.0° | 153.8° |
| C14 | C13 | C12 | H27 | 0.4° | 0.1° |
| C14 | C15 | C16 | H22 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 105.8° | 115.0° |
| C14 | C15 | C16 | H18 | 14.6° | 5.0° |
| C15 | C14 | C27 | H23 | 0.6° | 93.9° |
| C15 | C14 | C27 | H24 | 120.6° | 146.1° |
| C15 | C14 | C27 | H25 | 119.4° | 26.2° |
| C15 | C14 | C13 | H26 | 3.4° | 0.1° |
| C16 | C15 | C14 | C27 | 0.1° | 4.4° |
| C15 | C16 | C17 | H18 | 120.2° | 120.0° |
| C15 | C16 | C17 | O3 | 71.1° | 25.0° |
| C15 | C16 | C17 | C18 | 109.4° | 155.0° |
| C15 | C16 | C28 | H19 | 180.0° | 60.0° |
| C15 | C16 | C28 | H20 | 60.0° | 180.0° |
| C15 | C16 | C28 | H21 | 60.0° | 60.0° |
| C27 | C14 | C15 | H22 | 179.9° | 175.5° |
| C14 | C27 | H23 | H24 | 120.0° | 120.0° |
| C14 | C27 | H23 | H25 | 120.0° | 120.0° |
| C14 | C27 | H24 | H25 | 120.0° | 120.0° |
| C27 | C14 | C13 | H26 | 177.2° | 180.0° |
| C16 | C17 | O3 | C18 | 179.5° | 180.0° |
| C16 | C17 | C18 | C29 | 80.0° | 90.0° |
| C16 | C17 | C18 | C19 | 156.8° | 150.0° |
| C16 | C17 | C18 | H14 | 36.9° | 30.0° |
| C17 | C16 | C28 | H19 | 59.8° | 60.0° |
| C17 | C16 | C28 | H20 | 179.8° | 60.0° |
| C17 | C16 | C28 | H21 | 60.2° | 180.0° |
| C17 | C16 | C15 | H22 | 74.3° | 64.9° |
| C8 | C9 | C10 | H34 | 180.0° | 179.9° |
| C8 | C9 | C10 | C26 | 109.7° | 114.9° |
| C9 | C8 | C7 | C6 | 174.4° | 174.7° |
| C8 | C9 | C10 | H30 | 9.1° | 5.2° |
| C9 | C8 | C25 | H36 | 180.0° | 90.0° |
| C9 | C8 | C25 | H37 | 60.0° | 150.0° |
| C9 | C8 | C25 | H38 | 60.0° | 30.0° |
| C9 | C8 | C7 | H39 | 5.6° | 5.2° |
| C10 | C9 | C8 | C7 | 0.2° | 5.1° |
| C9 | C10 | C26 | H30 | 118.9° | 120.0° |
| C9 | C10 | C11 | H28 | 65.4° | 65.1° |
| C9 | C10 | C11 | H29 | 54.3° | 54.9° |
| C9 | C10 | C26 | H31 | 58.5° | 60.0° |
| C9 | C10 | C26 | H32 | 178.5° | 180.0° |
| C9 | C10 | C26 | H33 | 61.5° | 59.9° |
| C8 | C7 | C6 | H39 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 179.4° | 180.0° |
| C7 | C8 | C9 | H34 | 179.8° | 174.9° |
| C7 | C8 | C25 | H36 | 1.1° | 90.0° |
| C7 | C8 | C25 | H37 | 119.0° | 30.0° |
| C7 | C8 | C25 | H38 | 121.1° | 150.0° |
| C8 | C7 | C6 | H40 | 0.6° | 0.1° |
| O2 | C5 | C6 | C7 | 61.7° | 120.0° |
| O2 | C5 | C6 | C4 | 120.4° | 120.0° |
| O2 | C5 | C6 | H42 | 117.2° | 120.0° |
| O2 | C5 | C4 | H42 | 118.9° | 120.0° |
| O2 | C5 | C4 | C3 | 66.2° | 65.0° |
| O2 | C5 | C6 | H40 | 118.3° | 60.1° |
| O2 | C5 | C4 | H44 | 173.4° | 175.0° |
| O2 | C5 | C4 | H45 | 54.2° | 55.0° |
| C26 | C10 | C11 | H28 | 55.2° | 55.0° |
| C26 | C10 | C11 | H29 | 175.0° | 175.0° |
| C10 | C26 | H31 | H32 | 120.0° | 120.0° |
| C10 | C26 | H31 | H33 | 120.0° | 119.9° |
| C10 | C26 | H32 | H33 | 120.0° | 120.0° |
| C26 | C10 | C9 | H34 | 70.3° | 65.0° |
| C7 | C6 | C5 | H40 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 177.9° | 119.9° |
| C7 | C6 | C5 | H42 | 55.5° | 0.1° |
| C6 | C5 | C4 | H42 | 122.5° | 120.0° |
| C6 | C5 | C4 | C3 | 175.2° | 175.0° |
| C5 | C6 | C7 | H39 | 0.6° | 0.1° |
| C6 | C5 | O2 | H43 | 180.0° | 60.0° |
| C6 | C5 | C4 | H44 | 54.8° | 55.0° |
| C6 | C5 | C4 | H45 | 64.4° | 65.0° |
| O3 | C17 | C18 | C29 | 99.5° | 90.0° |
| O3 | C17 | C18 | C19 | 23.8° | 30.0° |
| O3 | C17 | C18 | H14 | 143.6° | 150.0° |
| O3 | C17 | C16 | H18 | 168.7° | 145.0° |
| C5 | C4 | C3 | H44 | 120.4° | 120.0° |
| C5 | C4 | C3 | H45 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 25.1° | 180.0° |
| C4 | C5 | C6 | H40 | 2.1° | 60.0° |
| C4 | C5 | O2 | H43 | 54.5° | 60.0° |
| C5 | C4 | H44 | H45 | 118.8° | 120.0° |
| C5 | C4 | C3 | H46 | 95.9° | 60.0° |
| C5 | C4 | C3 | H35 | 146.0° | 60.0° |
| C17 | C18 | C29 | C19 | 124.1° | 120.0° |
| C17 | C18 | C29 | H14 | 117.1° | 119.9° |
| C17 | C18 | C19 | H14 | 120.1° | 120.0° |
| C17 | C18 | C19 | C20 | 63.1° | 65.1° |
| C17 | C18 | C19 | O4 | 175.4° | 174.9° |
| C17 | C18 | C19 | H12 | 56.8° | 54.9° |
| C17 | C18 | C29 | H15 | 180.0° | 175.0° |
| C17 | C18 | C29 | H16 | 60.0° | 55.0° |
| C17 | C18 | C29 | H17 | 60.0° | 65.0° |
| C18 | C17 | C16 | H18 | 10.8° | 35.0° |
| C4 | C3 | C2 | H46 | 120.9° | 120.0° |
| C4 | C3 | C2 | H35 | 120.9° | 120.0° |
| C4 | C3 | C2 | C1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H42 | 52.7° | 55.0° |
| C3 | C4 | H44 | H45 | 118.8° | 120.0° |
| C4 | C3 | H46 | H35 | 117.1° | 120.0° |
| C4 | C3 | C2 | H47 | 59.2° | 60.1° |
| C4 | C3 | C2 | H41 | 59.2° | 60.0° |
| C3 | C2 | C1 | H47 | 120.8° | 120.0° |
| C3 | C2 | C1 | H41 | 120.8° | 120.1° |
| C3 | C2 | C1 | O1 | 175.7° | 0.0° |
| C3 | C2 | C1 | O1' | 4.5° | 180.0° |
| C2 | C3 | C4 | H44 | 145.4° | 60.0° |
| C2 | C3 | C4 | H45 | 95.3° | 60.0° |
| C2 | C3 | H46 | H35 | 117.1° | 120.1° |
| C3 | C2 | H47 | H41 | 117.4° | 120.1° |
| C2 | C1 | O1 | O1' | 179.7° | 180.0° |
| C1 | C2 | C3 | H46 | 59.1° | 60.0° |
| C1 | C2 | H47 | H41 | 117.4° | 119.9° |
| C2 | C1 | O1' | H48 | 179.7° | 179.9° |
| C1 | C2 | C3 | H35 | 59.1° | 60.0° |
| O1 | C1 | C2 | H47 | 63.5° | 120.0° |
| O1 | C1 | O1' | H48 | 0.0° | 0.1° |
| O1 | C1 | C2 | H41 | 54.9° | 120.0° |
| C29 | C18 | C19 | H14 | 118.8° | 120.0° |
| C29 | C18 | C19 | C20 | 175.8° | 174.9° |
| C29 | C18 | C19 | O4 | 54.3° | 54.9° |
| C29 | C18 | C19 | H12 | 64.3° | 65.1° |
| C18 | C29 | H15 | H16 | 120.0° | 120.0° |
| C18 | C29 | H15 | H17 | 120.0° | 119.9° |
| C18 | C29 | H16 | H17 | 120.0° | 120.0° |
| O1' | C1 | C2 | H47 | 116.3° | 60.0° |
| O1' | C1 | C2 | H41 | 125.4° | 60.0° |
| C18 | C19 | C20 | O4 | 122.1° | 120.0° |
| C18 | C19 | C20 | H12 | 119.9° | 120.0° |
| C18 | C19 | O4 | H12 | 117.7° | 120.0° |
| C18 | C19 | C20 | C30 | 67.1° | 64.9° |
| C18 | C19 | C20 | C21 | 169.8° | 175.1° |
| C18 | C19 | C20 | H8 | 51.6° | 55.1° |
| C18 | C19 | O4 | H13 | 180.0° | 60.0° |
| C19 | C18 | C29 | H15 | 55.9° | 65.0° |
| C19 | C18 | C29 | H16 | 175.9° | 175.0° |
| C19 | C18 | C29 | H17 | 64.1° | 55.0° |
| C31 | C22 | C21 | C20 | 63.6° | 85.0° |
| C31 | C22 | C21 | C23 | 179.0° | 180.0° |
| C31 | C22 | C23 | C24 | 1.8° | 7.2° |
| C31 | C22 | C23 | H2 | 178.2° | 172.8° |
| C22 | C31 | H3 | H4 | 120.0° | 120.0° |
| C22 | C31 | H3 | H5 | 120.0° | 120.0° |
| C22 | C31 | H4 | H5 | 120.0° | 120.1° |
| C31 | C22 | C21 | H6 | 56.6° | 35.0° |
| C31 | C22 | C21 | H7 | 176.2° | 155.0° |
| C20 | C19 | O4 | H12 | 117.2° | 120.0° |
| C19 | C20 | C30 | C21 | 123.9° | 120.0° |
| C19 | C20 | C30 | H8 | 118.6° | 120.0° |
| C19 | C20 | C21 | H8 | 118.1° | 120.0° |
| C19 | C20 | C21 | C22 | 62.6° | 175.0° |
| C19 | C20 | C21 | H6 | 177.2° | 55.0° |
| C19 | C20 | C21 | H7 | 57.6° | 65.0° |
| C19 | C20 | C30 | H9 | 180.0° | 55.3° |
| C19 | C20 | C30 | H10 | 60.0° | 175.3° |
| C19 | C20 | C30 | H11 | 60.0° | 64.7° |
| C20 | C19 | O4 | H13 | 54.9° | 60.0° |
| C20 | C19 | C18 | H14 | 56.9° | 54.9° |
| O4 | C19 | C20 | C30 | 55.0° | 55.1° |
| O4 | C19 | C20 | C21 | 68.1° | 64.9° |
| O4 | C19 | C20 | H8 | 173.7° | 175.1° |
| O4 | C19 | C18 | H14 | 64.6° | 65.1° |
| C30 | C20 | C21 | H8 | 117.5° | 120.0° |
| C30 | C20 | C21 | C22 | 173.1° | 65.0° |
| C30 | C20 | C21 | H6 | 52.9° | 175.0° |
| C30 | C20 | C21 | H7 | 66.7° | 55.0° |
| C20 | C30 | H9 | H10 | 120.0° | 120.0° |
| C20 | C30 | H9 | H11 | 120.0° | 120.0° |
| C20 | C30 | H10 | H11 | 120.0° | 120.0° |
| C30 | C20 | C19 | H12 | 173.0° | 175.1° |
| C20 | C21 | C22 | H6 | 120.2° | 120.0° |
| C20 | C21 | C22 | H7 | 120.2° | 120.0° |
| C20 | C21 | C22 | C23 | 115.4° | 95.0° |
| C20 | C21 | H6 | H7 | 119.3° | 120.0° |
| C21 | C20 | C30 | H9 | 56.1° | 64.8° |
| C21 | C20 | C30 | H10 | 176.1° | 55.3° |
| C21 | C20 | C30 | H11 | 64.0° | 175.3° |
| C21 | C20 | C19 | H12 | 49.9° | 55.1° |
| O6 | C24 | C23 | C22 | 5.1° | 4.2° |
| O6 | C24 | C23 | O5 | 179.5° | 179.7° |
| O6 | C24 | O5 | H1 | 0.0° | 0.0° |
| O6 | C24 | C23 | H2 | 174.9° | 175.8° |
| C21 | C22 | C23 | C24 | 179.2° | 172.9° |
| C21 | C22 | C23 | H2 | 0.8° | 7.2° |
| C21 | C22 | C31 | H3 | 180.0° | 95.4° |
| C21 | C22 | C31 | H4 | 60.0° | 144.7° |
| C21 | C22 | C31 | H5 | 60.0° | 24.6° |
| C22 | C21 | H6 | H7 | 119.3° | 120.0° |
| C22 | C21 | C20 | H8 | 55.6° | 55.0° |
| C22 | C23 | C24 | H2 | 180.0° | 180.0° |
| C22 | C23 | C24 | O5 | 174.3° | 175.5° |
| C23 | C22 | C31 | H3 | 1.0° | 84.7° |
| C23 | C22 | C31 | H4 | 119.0° | 35.3° |
| C23 | C22 | C31 | H5 | 121.0° | 155.3° |
| C23 | C22 | C21 | H6 | 124.4° | 145.0° |
| C23 | C22 | C21 | H7 | 4.8° | 25.0° |
| C23 | C24 | O5 | H1 | 179.5° | 179.7° |
| O5 | C24 | C23 | H2 | 5.7° | 4.5° |
| H3 | C31 | H4 | H5 | 120.0° | 120.0° |
| H6 | C21 | C20 | H8 | 64.6° | 65.0° |
| H7 | C21 | C20 | H8 | 175.8° | 175.0° |
| H8 | C20 | C30 | H9 | 61.4° | 175.2° |
| H8 | C20 | C30 | H10 | 58.6° | 64.7° |
| H8 | C20 | C30 | H11 | 178.6° | 55.3° |
| H8 | C20 | C19 | H12 | 68.3° | 64.9° |
| H9 | C30 | H10 | H11 | 120.0° | 120.0° |
| H12 | C19 | O4 | H13 | 62.3° | 180.0° |
| H12 | C19 | C18 | H14 | 176.9° | 174.9° |
| H14 | C18 | C29 | H15 | 62.9° | 55.1° |
| H14 | C18 | C29 | H16 | 57.1° | 64.9° |
| H14 | C18 | C29 | H17 | 177.1° | 175.1° |
| H15 | C29 | H16 | H17 | 120.0° | 120.0° |
| H18 | C16 | C28 | H19 | 60.5° | 180.0° |
| H18 | C16 | C28 | H20 | 59.5° | 60.0° |
| H18 | C16 | C28 | H21 | 179.5° | 60.0° |
| H18 | C16 | C15 | H22 | 165.4° | 175.1° |
| H19 | C28 | H20 | H21 | 120.0° | 120.0° |
| H23 | C27 | H24 | H25 | 120.0° | 120.0° |
| H26 | C13 | C12 | H27 | 179.6° | 179.9° |
| H27 | C12 | C11 | H28 | 166.7° | 65.0° |
| H27 | C12 | C11 | H29 | 73.5° | 175.0° |
| H28 | C11 | C10 | H30 | 174.9° | 175.0° |
| H29 | C11 | C10 | H30 | 65.4° | 65.0° |
| H30 | C10 | C26 | H31 | 60.4° | 60.0° |
| H30 | C10 | C26 | H32 | 59.6° | 59.9° |
| H30 | C10 | C26 | H33 | 179.6° | 180.0° |
| H30 | C10 | C9 | H34 | 170.9° | 174.9° |
| H31 | C26 | H32 | H33 | 120.0° | 120.0° |
| H36 | C25 | H37 | H38 | 120.0° | 120.0° |
| H39 | C7 | C6 | H40 | 179.4° | 180.0° |
| H40 | C6 | C5 | H42 | 124.5° | 180.0° |
| H42 | C5 | O2 | H43 | 63.6° | 180.0° |
| H42 | C5 | C4 | H44 | 67.7° | 65.0° |
| H42 | C5 | C4 | H45 | 173.1° | 175.0° |
| H44 | C4 | C3 | H46 | 24.5° | NaN° |
| H44 | C4 | C3 | H35 | 93.6° | 60.0° |
| H45 | C4 | C3 | H46 | 143.7° | 60.0° |
| H45 | C4 | C3 | H35 | 25.6° | 180.0° |
| H46 | C3 | C2 | H47 | 179.9° | 180.0° |
| H46 | C3 | C2 | H41 | 61.7° | 59.9° |
| H47 | C2 | C3 | H35 | 61.8° | 59.9° |
| H35 | C3 | C2 | H41 | 179.9° | 180.0° |
