A1H22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C9 | O6 | sing | 1.43Å | 1.42Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | O3 | sing | 1.43Å | 217.83Å | |
| O3 | C6 | sing | 1.43Å | 0.00Å | |
| C6 | C7 | sing | 1.53Å | 0.00Å | |
| C7 | O4 | sing | 1.43Å | 0.00Å | |
| C6 | H11 | sing | 1.09Å | 0.00Å | |
| C6 | H12 | sing | 1.09Å | 0.00Å | |
| C7 | H13 | sing | 1.09Å | 0.00Å | |
| C7 | H14 | sing | 1.09Å | 0.00Å | |
| O6 | C10 | sing | 1.43Å | 213.98Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| C11 | O8 | sing | 1.43Å | 0.00Å | |
| C10 | H20 | sing | 1.09Å | 0.00Å | |
| C10 | H21 | sing | 1.09Å | 0.00Å | |
| C11 | H22 | sing | 1.09Å | 0.00Å | |
| C11 | H23 | sing | 1.09Å | 0.00Å | |
| O8 | C12 | sing | 1.43Å | 0.00Å | |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C13 | O7 | sing | 1.43Å | 0.00Å | |
| C12 | H24 | sing | 1.09Å | 0.00Å | |
| C12 | H25 | sing | 1.09Å | 0.00Å | |
| C13 | H26 | sing | 1.09Å | 0.00Å | |
| C13 | H27 | sing | 1.09Å | 0.00Å | |
| O7 | C14 | sing | 1.43Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C15 | O9 | sing | 1.43Å | 0.00Å | |
| C14 | H28 | sing | 1.09Å | 0.00Å | |
| C14 | H29 | sing | 1.09Å | 0.00Å | |
| C15 | H30 | sing | 1.09Å | 0.00Å | |
| C15 | H31 | sing | 1.09Å | 0.00Å | |
| O9 | C16 | sing | 1.43Å | 0.00Å | |
| C16 | C17 | sing | 1.53Å | 0.00Å | |
| C17 | O10 | sing | 1.43Å | 0.00Å | |
| C16 | H32 | sing | 1.09Å | 0.00Å | |
| C16 | H33 | sing | 1.09Å | 0.00Å | |
| C17 | H34 | sing | 1.09Å | 0.00Å | |
| C17 | H35 | sing | 1.09Å | 0.00Å | |
| O10 | C18 | sing | 1.43Å | 0.00Å | |
| C18 | C19 | sing | 1.53Å | 0.00Å | |
| C19 | O11 | sing | 1.43Å | 0.00Å | |
| C18 | H36 | sing | 1.09Å | 0.00Å | |
| C18 | H37 | sing | 1.09Å | 0.00Å | |
| C19 | H38 | sing | 1.09Å | 0.00Å | |
| C19 | H39 | sing | 1.09Å | 0.00Å | |
| O11 | H40 | sing | 0.97Å | 0.00Å | |
| O4 | C20 | sing | 1.43Å | 0.00Å | |
| C20 | C21 | sing | 1.53Å | 0.00Å | |
| C21 | O12 | sing | 1.43Å | 0.00Å | |
| C20 | H15 | sing | 1.09Å | 0.00Å | |
| C20 | H41 | sing | 1.09Å | 0.00Å | |
| C21 | H42 | sing | 1.09Å | 0.00Å | |
| C21 | H43 | sing | 1.09Å | 0.00Å | |
| O12 | C22 | sing | 1.43Å | 0.00Å | |
| C22 | C23 | sing | 1.53Å | 0.00Å | |
| C23 | O13 | sing | 1.43Å | 0.00Å | |
| C22 | H44 | sing | 1.09Å | 0.00Å | |
| C22 | H45 | sing | 1.09Å | 0.00Å | |
| C23 | H46 | sing | 1.09Å | 0.00Å | |
| C23 | H47 | sing | 1.09Å | 0.00Å | |
| O13 | C24 | sing | 1.43Å | 0.00Å | |
| C24 | C25 | sing | 1.53Å | 0.00Å | |
| C25 | O14 | sing | 1.43Å | 0.00Å | |
| O14 | C26 | sing | 1.43Å | 0.00Å | |
| C26 | C27 | sing | 1.53Å | 0.00Å | |
| C27 | O15 | sing | 1.43Å | 0.00Å | |
| C24 | H48 | sing | 1.09Å | 0.00Å | |
| C24 | H49 | sing | 1.09Å | 0.00Å | |
| C25 | H50 | sing | 1.09Å | 0.00Å | |
| C25 | H51 | sing | 1.09Å | 0.00Å | |
| C26 | H52 | sing | 1.09Å | 0.00Å | |
| C26 | H53 | sing | 1.09Å | 0.00Å | |
| C27 | H54 | sing | 1.09Å | 0.00Å | |
| C27 | H55 | sing | 1.09Å | 0.00Å | |
| O15 | C28 | sing | 1.43Å | 0.00Å | |
| C28 | C29 | sing | 1.53Å | 0.00Å | |
| C29 | O16 | sing | 1.43Å | 0.00Å | |
| C28 | H56 | sing | 1.09Å | 0.00Å | |
| C28 | H57 | sing | 1.09Å | 0.00Å | |
| C29 | H58 | sing | 1.09Å | 0.00Å | |
| C29 | H59 | sing | 1.09Å | 0.00Å | |
| O16 | H60 | sing | 0.97Å | 0.00Å | |
| O1 | C30 | sing | 1.43Å | 212.95Å | |
| C30 | C31 | sing | 1.53Å | 0.00Å | |
| C31 | O17 | sing | 1.43Å | 0.00Å | |
| O17 | C32 | sing | 1.43Å | 0.00Å | |
| C32 | C33 | sing | 1.53Å | 0.00Å | |
| C33 | O18 | sing | 1.43Å | 0.00Å | |
| O18 | C34 | sing | 1.43Å | 0.00Å | |
| C34 | C35 | sing | 1.53Å | 0.00Å | |
| C35 | O19 | sing | 1.43Å | 0.00Å | |
| O19 | C36 | sing | 1.43Å | 0.00Å | |
| C36 | C37 | sing | 1.53Å | 0.00Å | |
| C37 | O20 | sing | 1.43Å | 0.00Å | |
| C30 | H1 | sing | 1.09Å | 0.00Å | |
| C30 | H61 | sing | 1.09Å | 0.00Å | |
| C31 | H62 | sing | 1.09Å | 0.00Å | |
| C31 | H63 | sing | 1.09Å | 0.00Å | |
| C32 | H64 | sing | 1.09Å | 0.00Å | |
| C32 | H65 | sing | 1.09Å | 0.00Å | |
| C33 | H66 | sing | 1.09Å | 0.00Å | |
| C33 | H67 | sing | 1.09Å | 0.00Å | |
| C34 | H68 | sing | 1.09Å | 0.00Å | |
| C34 | H69 | sing | 1.09Å | 0.00Å | |
| C35 | H70 | sing | 1.09Å | 0.00Å | |
| C35 | H71 | sing | 1.09Å | 0.00Å | |
| C36 | H72 | sing | 1.09Å | 0.00Å | |
| C36 | H73 | sing | 1.09Å | 0.00Å | |
| C37 | H74 | sing | 1.09Å | 0.00Å | |
| C37 | H75 | sing | 1.09Å | 0.00Å | |
| O20 | C38 | sing | 1.43Å | 0.00Å | |
| C38 | C39 | sing | 1.53Å | 0.00Å | |
| C39 | O21 | sing | 1.43Å | 0.00Å | |
| C38 | H76 | sing | 1.09Å | 0.00Å | |
| C38 | H77 | sing | 1.09Å | 0.00Å | |
| C39 | H78 | sing | 1.09Å | 0.00Å | |
| C39 | H79 | sing | 1.09Å | 0.00Å | |
| O21 | H80 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 115.0° | 109.5° |
| O1 | C1 | H2 | 108.1° | 109.4° |
| O1 | C1 | H3 | 108.1° | 109.5° |
| C1 | O1 | C30 | 169.5° | 114.0° |
| C1 | C2 | O2 | 112.2° | 109.5° |
| C2 | C1 | H2 | 108.1° | 109.5° |
| C2 | C1 | H3 | 108.1° | 109.5° |
| C1 | C2 | H5 | 108.8° | 109.4° |
| C1 | C2 | H4 | 108.7° | 109.5° |
| C2 | O2 | C3 | 116.5° | 114.0° |
| O2 | C2 | H5 | 108.8° | 109.5° |
| O2 | C2 | H4 | 108.8° | 109.5° |
| O2 | C3 | C4 | 114.5° | 109.4° |
| O2 | C3 | H7 | 108.2° | 109.4° |
| O2 | C3 | H6 | 108.2° | 109.5° |
| C3 | C4 | C5 | 113.7° | 109.5° |
| C4 | C3 | H7 | 108.2° | 109.5° |
| C4 | C3 | H6 | 108.2° | 109.5° |
| C3 | C4 | H8 | 93.1° | 109.5° |
| C3 | C4 | O3 | 74.3° | 109.5° |
| C4 | C5 | O5 | 113.7° | 109.5° |
| C5 | C4 | H8 | 93.1° | 109.4° |
| C4 | C5 | H10 | 108.4° | 109.5° |
| C4 | C5 | H9 | 108.4° | 109.5° |
| C5 | C4 | O3 | 39.8° | 109.5° |
| C5 | O5 | C8 | 115.3° | 114.0° |
| O5 | C5 | H10 | 108.4° | 109.5° |
| O5 | C5 | H9 | 108.4° | 109.5° |
| O5 | C8 | C9 | 111.9° | 109.5° |
| O5 | C8 | H17 | 108.8° | 109.5° |
| O5 | C8 | H16 | 108.9° | 109.5° |
| C8 | C9 | O6 | 113.5° | 109.5° |
| C9 | C8 | H17 | 108.8° | 109.5° |
| C9 | C8 | H16 | 108.9° | 109.4° |
| C8 | C9 | H18 | 108.5° | 109.5° |
| C8 | C9 | H19 | 108.5° | 109.4° |
| O6 | C9 | H18 | 108.4° | 109.5° |
| O6 | C9 | H19 | 108.4° | 109.5° |
| C9 | O6 | C10 | 152.0° | 114.0° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.5° |
| H7 | C3 | H6 | 109.5° | 109.5° |
| H8 | C4 | O3 | 90.0° | 109.5° |
| H10 | C5 | H9 | 109.4° | 109.4° |
| H17 | C8 | H16 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| C4 | O3 | C6 | 90.0° | 114.0° |
| O3 | C6 | C7 | 90.0° | 109.5° |
| O3 | C6 | H11 | 90.0° | 109.5° |
| O3 | C6 | H12 | 90.0° | 109.5° |
| C6 | C7 | O4 | 90.0° | 109.5° |
| C7 | C6 | H11 | 90.0° | 109.4° |
| C7 | C6 | H12 | 90.0° | 109.5° |
| C6 | C7 | H13 | 90.0° | 109.5° |
| C6 | C7 | H14 | 90.0° | 109.4° |
| O4 | C7 | H13 | 90.0° | 109.4° |
| O4 | C7 | H14 | 90.0° | 109.4° |
| C7 | O4 | C20 | 90.0° | 114.0° |
| H11 | C6 | H12 | 90.0° | 109.5° |
| H13 | C7 | H14 | 90.0° | 109.5° |
| O6 | C10 | C11 | 90.0° | 109.4° |
| O6 | C10 | H20 | 90.0° | 109.5° |
| O6 | C10 | H21 | 90.0° | 109.5° |
| C10 | C11 | O8 | 90.0° | 109.4° |
| C11 | C10 | H20 | 90.0° | 109.5° |
| C11 | C10 | H21 | 90.0° | 109.4° |
| C10 | C11 | H22 | 90.0° | 109.5° |
| C10 | C11 | H23 | 90.0° | 109.5° |
| O8 | C11 | H22 | 90.0° | 109.4° |
| O8 | C11 | H23 | 90.0° | 109.5° |
| C11 | O8 | C12 | 90.0° | 113.9° |
| H20 | C10 | H21 | 90.0° | 109.5° |
| H22 | C11 | H23 | 90.0° | 109.5° |
| O8 | C12 | C13 | 90.0° | 109.4° |
| O8 | C12 | H24 | 90.0° | 109.5° |
| O8 | C12 | H25 | 90.0° | 109.5° |
| C12 | C13 | O7 | 90.0° | 109.5° |
| C13 | C12 | H24 | 90.0° | 109.5° |
| C13 | C12 | H25 | 90.0° | 109.5° |
| C12 | C13 | H26 | 90.0° | 109.4° |
| C12 | C13 | H27 | 90.0° | 109.5° |
| O7 | C13 | H26 | 90.0° | 109.4° |
| O7 | C13 | H27 | 90.0° | 109.5° |
| C13 | O7 | C14 | 90.0° | 114.0° |
| H24 | C12 | H25 | 90.0° | 109.5° |
| H26 | C13 | H27 | 90.0° | 109.5° |
| O7 | C14 | C15 | 90.0° | 109.4° |
| O7 | C14 | H28 | 90.0° | 109.5° |
| O7 | C14 | H29 | 90.0° | 109.5° |
| C14 | C15 | O9 | 90.0° | 109.5° |
| C15 | C14 | H28 | 90.0° | 109.5° |
| C15 | C14 | H29 | 90.0° | 109.5° |
| C14 | C15 | H30 | 90.0° | 109.4° |
| C14 | C15 | H31 | 90.0° | 109.5° |
| O9 | C15 | H30 | 90.0° | 109.5° |
| O9 | C15 | H31 | 90.0° | 109.5° |
| C15 | O9 | C16 | 90.0° | 114.0° |
| H28 | C14 | H29 | 90.0° | 109.5° |
| H30 | C15 | H31 | 90.0° | 109.5° |
| O9 | C16 | C17 | 90.0° | 109.5° |
| O9 | C16 | H32 | 90.0° | 109.5° |
| O9 | C16 | H33 | 90.0° | 109.5° |
| C16 | C17 | O10 | 90.0° | 109.5° |
| C17 | C16 | H32 | 90.0° | 109.5° |
| C17 | C16 | H33 | 90.0° | 109.4° |
| C16 | C17 | H34 | 90.0° | 109.5° |
| C16 | C17 | H35 | 90.0° | 109.5° |
| O10 | C17 | H34 | 90.0° | 109.4° |
| O10 | C17 | H35 | 90.0° | 109.4° |
| C17 | O10 | C18 | 90.0° | 114.0° |
| H32 | C16 | H33 | 90.0° | 109.5° |
| H34 | C17 | H35 | 90.0° | 109.5° |
| O10 | C18 | C19 | 90.0° | 109.5° |
| O10 | C18 | H36 | 90.0° | 109.4° |
| O10 | C18 | H37 | 90.0° | 109.4° |
| C18 | C19 | O11 | 90.0° | 109.5° |
| C19 | C18 | H36 | 90.0° | 109.5° |
| C19 | C18 | H37 | 90.0° | 109.5° |
| C18 | C19 | H38 | 90.0° | 109.5° |
| C18 | C19 | H39 | 90.0° | 109.5° |
| O11 | C19 | H38 | 90.0° | 109.5° |
| O11 | C19 | H39 | 90.0° | 109.5° |
| C19 | O11 | H40 | 90.0° | 114.0° |
| H36 | C18 | H37 | 90.0° | 109.5° |
| H38 | C19 | H39 | 90.0° | 109.5° |
| O4 | C20 | C21 | 90.0° | 109.5° |
| O4 | C20 | H15 | 90.0° | 109.5° |
| O4 | C20 | H41 | 90.0° | 109.5° |
| C20 | C21 | O12 | 90.0° | 109.5° |
| C21 | C20 | H15 | 90.0° | 109.5° |
| C21 | C20 | H41 | 90.0° | 109.4° |
| C20 | C21 | H42 | 90.0° | 109.5° |
| C20 | C21 | H43 | 90.0° | 109.5° |
| O12 | C21 | H42 | 90.0° | 109.5° |
| O12 | C21 | H43 | 90.0° | 109.5° |
| C21 | O12 | C22 | 90.0° | 114.0° |
| H15 | C20 | H41 | 90.0° | 109.5° |
| H42 | C21 | H43 | 90.0° | 109.4° |
| O12 | C22 | C23 | 90.0° | 109.4° |
| O12 | C22 | H44 | 90.0° | 109.4° |
| O12 | C22 | H45 | 90.0° | 109.4° |
| C22 | C23 | O13 | 90.0° | 109.5° |
| C23 | C22 | H44 | 90.0° | 109.5° |
| C23 | C22 | H45 | 90.0° | 109.5° |
| C22 | C23 | H46 | 90.0° | 109.4° |
| C22 | C23 | H47 | 90.0° | 109.5° |
| O13 | C23 | H46 | 90.0° | 109.5° |
| O13 | C23 | H47 | 90.0° | 109.5° |
| C23 | O13 | C24 | 90.0° | 114.0° |
| H44 | C22 | H45 | 90.0° | 109.5° |
| H46 | C23 | H47 | 90.0° | 109.5° |
| O13 | C24 | C25 | 90.0° | 109.5° |
| O13 | C24 | H48 | 90.0° | 109.5° |
| O13 | C24 | H49 | 90.0° | 109.4° |
| C24 | C25 | O14 | 90.0° | 109.5° |
| C25 | C24 | H48 | 90.0° | 109.4° |
| C25 | C24 | H49 | 90.0° | 109.5° |
| C24 | C25 | H50 | 90.0° | 109.5° |
| C24 | C25 | H51 | 90.0° | 109.4° |
| C25 | O14 | C26 | 90.0° | 114.0° |
| O14 | C25 | H50 | 90.0° | 109.6° |
| O14 | C25 | H51 | 90.0° | 109.4° |
| O14 | C26 | C27 | 90.0° | 109.5° |
| O14 | C26 | H52 | 90.0° | 109.5° |
| O14 | C26 | H53 | 90.0° | 109.5° |
| C26 | C27 | O15 | 90.0° | 109.5° |
| C27 | C26 | H52 | 90.0° | 109.5° |
| C27 | C26 | H53 | 90.0° | 109.5° |
| C26 | C27 | H54 | 90.0° | 109.5° |
| C26 | C27 | H55 | 90.0° | 109.4° |
| O15 | C27 | H54 | 90.0° | 109.5° |
| O15 | C27 | H55 | 90.0° | 109.5° |
| C27 | O15 | C28 | 90.0° | 114.0° |
| H48 | C24 | H49 | 90.0° | 109.5° |
| H50 | C25 | H51 | 90.0° | 109.5° |
| H52 | C26 | H53 | 90.0° | 109.4° |
| H54 | C27 | H55 | 90.0° | 109.5° |
| O15 | C28 | C29 | 90.0° | 109.5° |
| O15 | C28 | H56 | 90.0° | 109.5° |
| O15 | C28 | H57 | 90.0° | 109.5° |
| C28 | C29 | O16 | 90.0° | 109.5° |
| C29 | C28 | H56 | 90.0° | 109.5° |
| C29 | C28 | H57 | 90.0° | 109.5° |
| C28 | C29 | H58 | 90.0° | 109.4° |
| C28 | C29 | H59 | 90.0° | 109.5° |
| O16 | C29 | H58 | 90.0° | 109.5° |
| O16 | C29 | H59 | 90.0° | 109.5° |
| C29 | O16 | H60 | 90.0° | 114.0° |
| H56 | C28 | H57 | 90.0° | 109.4° |
| H58 | C29 | H59 | 90.0° | 109.5° |
| O1 | C30 | C31 | 90.0° | 109.5° |
| O1 | C30 | H1 | 90.0° | 109.5° |
| O1 | C30 | H61 | 90.0° | 109.5° |
| C30 | C31 | O17 | 90.0° | 109.4° |
| C31 | C30 | H1 | 90.0° | 109.5° |
| C31 | C30 | H61 | 90.0° | 109.4° |
| C30 | C31 | H62 | 90.0° | 109.5° |
| C30 | C31 | H63 | 90.0° | 109.4° |
| C31 | O17 | C32 | 90.0° | 113.9° |
| O17 | C31 | H62 | 90.0° | 109.5° |
| O17 | C31 | H63 | 90.0° | 109.5° |
| O17 | C32 | C33 | 90.0° | 109.4° |
| O17 | C32 | H64 | 90.0° | 109.5° |
| O17 | C32 | H65 | 90.0° | 109.5° |
| C32 | C33 | O18 | 90.0° | 109.5° |
| C33 | C32 | H64 | 90.0° | 109.4° |
| C33 | C32 | H65 | 90.0° | 109.4° |
| C32 | C33 | H66 | 90.0° | 109.5° |
| C32 | C33 | H67 | 90.0° | 109.5° |
| C33 | O18 | C34 | 90.0° | 114.0° |
| O18 | C33 | H66 | 90.0° | 109.4° |
| O18 | C33 | H67 | 90.0° | 109.4° |
| O18 | C34 | C35 | 90.0° | 109.5° |
| O18 | C34 | H68 | 90.0° | 109.5° |
| O18 | C34 | H69 | 90.0° | 109.5° |
| C34 | C35 | O19 | 90.0° | 109.4° |
| C35 | C34 | H68 | 90.0° | 109.5° |
| C35 | C34 | H69 | 90.0° | 109.4° |
| C34 | C35 | H70 | 90.0° | 109.5° |
| C34 | C35 | H71 | 90.0° | 109.5° |
| C35 | O19 | C36 | 90.0° | 114.0° |
| O19 | C35 | H70 | 90.0° | 109.5° |
| O19 | C35 | H71 | 90.0° | 109.5° |
| O19 | C36 | C37 | 90.0° | 109.5° |
| O19 | C36 | H72 | 90.0° | 109.4° |
| O19 | C36 | H73 | 90.0° | 109.5° |
| C36 | C37 | O20 | 90.0° | 109.5° |
| C37 | C36 | H72 | 90.0° | 109.5° |
| C37 | C36 | H73 | 90.0° | 109.5° |
| C36 | C37 | H74 | 90.0° | 109.5° |
| C36 | C37 | H75 | 90.0° | 109.5° |
| O20 | C37 | H74 | 90.0° | 109.5° |
| O20 | C37 | H75 | 90.0° | 109.4° |
| C37 | O20 | C38 | 90.0° | 114.1° |
| H1 | C30 | H61 | 90.0° | 109.5° |
| H62 | C31 | H63 | 90.0° | 109.5° |
| H64 | C32 | H65 | 90.0° | 109.5° |
| H66 | C33 | H67 | 90.0° | 109.5° |
| H68 | C34 | H69 | 90.0° | 109.5° |
| H70 | C35 | H71 | 90.0° | 109.5° |
| H72 | C36 | H73 | 90.0° | 109.5° |
| H74 | C37 | H75 | 90.0° | 109.5° |
| O20 | C38 | C39 | 90.0° | 109.5° |
| O20 | C38 | H76 | 90.0° | 109.4° |
| O20 | C38 | H77 | 90.0° | 109.4° |
| C38 | C39 | O21 | 90.0° | 109.5° |
| C39 | C38 | H76 | 90.0° | 109.5° |
| C39 | C38 | H77 | 90.0° | 109.5° |
| C38 | C39 | H78 | 90.0° | 109.5° |
| C38 | C39 | H79 | 90.0° | 109.5° |
| O21 | C39 | H78 | 90.0° | 109.5° |
| O21 | C39 | H79 | 90.0° | 109.4° |
| C39 | O21 | H80 | 90.0° | 114.0° |
| H76 | C38 | H77 | 90.0° | 109.5° |
| H78 | C39 | H79 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H2 | 120.8° | 119.9° |
| O1 | C1 | C2 | H3 | 120.8° | 120.0° |
| O1 | C1 | C2 | O2 | 172.9° | 65.1° |
| O1 | C1 | H2 | H3 | 117.5° | 120.0° |
| O1 | C1 | C2 | H5 | 52.4° | 175.0° |
| O1 | C1 | C2 | H4 | 66.7° | 55.0° |
| C1 | O1 | C30 | C31 | 90.0° | 180.0° |
| C1 | O1 | C30 | H1 | 90.0° | 60.0° |
| C1 | O1 | C30 | H61 | 90.0° | 60.0° |
| C1 | C2 | O2 | H5 | 120.4° | 119.9° |
| C1 | C2 | O2 | H4 | 120.4° | 120.1° |
| C1 | C2 | O2 | C3 | 177.9° | 180.0° |
| C2 | C1 | H2 | H3 | 117.5° | 120.1° |
| C1 | C2 | H5 | H4 | 118.7° | 120.0° |
| C2 | C1 | O1 | C30 | 145.8° | 180.0° |
| C2 | O2 | C3 | C4 | 104.8° | 180.0° |
| O2 | C2 | C1 | H2 | 66.3° | 175.0° |
| O2 | C2 | C1 | H3 | 52.1° | 55.0° |
| O2 | C2 | H5 | H4 | 118.8° | 120.0° |
| C2 | O2 | C3 | H7 | 15.9° | 60.0° |
| C2 | O2 | C3 | H6 | 134.5° | 60.0° |
| O2 | C3 | C4 | H7 | 120.7° | 119.9° |
| O2 | C3 | C4 | H6 | 120.7° | 120.0° |
| O2 | C3 | C4 | C5 | 59.8° | 175.0° |
| C3 | O2 | C2 | H5 | 61.6° | 60.0° |
| C3 | O2 | C2 | H4 | 57.6° | 60.0° |
| O2 | C3 | H7 | H6 | 117.8° | 120.0° |
| O2 | C3 | C4 | H8 | 35.0° | 55.0° |
| O2 | C3 | C4 | O3 | 54.2° | 65.0° |
| C3 | C4 | C5 | H8 | 94.7° | 120.0° |
| C3 | C4 | C5 | O3 | 8.4° | 120.0° |
| C3 | C4 | C5 | O5 | 179.8° | 174.9° |
| C4 | C3 | H7 | H6 | 117.7° | 120.1° |
| C3 | C4 | H8 | O3 | 74.2° | 120.1° |
| C3 | C4 | C5 | H10 | 59.1° | 65.1° |
| C3 | C4 | C5 | H9 | 59.6° | 54.9° |
| C3 | C4 | O3 | C6 | 90.0° | 88.4° |
| C4 | C5 | O5 | H10 | 120.6° | 120.0° |
| C4 | C5 | O5 | H9 | 120.6° | 120.0° |
| C4 | C5 | O5 | C8 | 176.4° | 174.2° |
| C5 | C4 | C3 | H7 | 60.9° | 55.0° |
| C5 | C4 | C3 | H6 | 179.5° | 65.0° |
| C5 | C4 | H8 | O3 | 39.7° | 120.0° |
| C4 | C5 | H10 | H9 | 118.0° | 120.0° |
| C5 | C4 | O3 | C6 | 90.0° | 151.6° |
| C5 | O5 | C8 | C9 | 70.8° | 175.1° |
| O5 | C5 | C4 | H8 | 85.0° | 54.9° |
| O5 | C5 | H10 | H9 | 118.1° | 120.0° |
| C5 | O5 | C8 | H17 | 49.5° | 64.9° |
| C5 | O5 | C8 | H16 | 168.8° | 55.2° |
| O5 | C5 | C4 | O3 | 171.3° | 65.1° |
| O5 | C8 | C9 | H17 | 120.3° | 120.0° |
| O5 | C8 | C9 | H16 | 120.4° | 120.0° |
| O5 | C8 | C9 | O6 | 164.4° | 66.2° |
| C8 | O5 | C5 | H10 | 55.7° | 65.9° |
| C8 | O5 | C5 | H9 | 63.0° | 54.1° |
| O5 | C8 | H17 | H16 | 118.9° | 120.1° |
| O5 | C8 | C9 | H18 | 75.0° | 173.7° |
| O5 | C8 | C9 | H19 | 43.8° | 53.7° |
| C8 | C9 | O6 | H18 | 120.6° | 120.1° |
| C8 | C9 | O6 | H19 | 120.6° | 119.9° |
| C9 | C8 | H17 | H16 | 118.9° | 119.9° |
| C8 | C9 | H18 | H19 | 118.2° | 119.9° |
| C8 | C9 | O6 | C10 | 111.2° | 175.4° |
| O6 | C9 | C8 | H17 | 44.0° | 173.7° |
| O6 | C9 | C8 | H16 | 75.2° | 53.8° |
| O6 | C9 | H18 | H19 | 118.1° | 120.0° |
| C9 | O6 | C10 | C11 | 90.0° | 174.5° |
| C9 | O6 | C10 | H20 | 90.0° | 54.5° |
| C9 | O6 | C10 | H21 | 90.0° | 65.5° |
| H2 | C1 | C2 | H5 | 173.2° | 55.1° |
| H2 | C1 | C2 | H4 | 54.1° | 64.9° |
| H2 | C1 | O1 | C30 | 93.5° | 60.0° |
| H3 | C1 | C2 | H5 | 68.4° | 65.0° |
| H3 | C1 | C2 | H4 | 172.5° | 175.0° |
| H3 | C1 | O1 | C30 | 25.0° | 60.0° |
| H7 | C3 | C4 | H8 | 155.7° | 64.9° |
| H7 | C3 | C4 | O3 | 66.5° | 175.0° |
| H6 | C3 | C4 | H8 | 85.8° | 175.0° |
| H6 | C3 | C4 | O3 | 174.9° | 54.9° |
| H8 | C4 | C5 | H10 | 35.6° | 174.9° |
| H8 | C4 | C5 | H9 | 154.3° | 65.2° |
| H8 | C4 | O3 | C6 | 90.0° | 31.7° |
| H10 | C5 | C4 | O3 | 50.7° | 54.9° |
| H9 | C5 | C4 | O3 | 68.0° | 174.9° |
| H17 | C8 | C9 | H18 | 164.6° | 53.7° |
| H17 | C8 | C9 | H19 | 76.5° | 66.3° |
| H16 | C8 | C9 | H18 | 45.4° | 66.3° |
| H16 | C8 | C9 | H19 | 164.2° | 173.8° |
| H18 | C9 | O6 | C10 | 128.2° | 64.6° |
| H19 | C9 | O6 | C10 | 9.4° | 55.4° |
| C4 | O3 | C6 | C7 | 90.0° | 175.1° |
| C4 | O3 | C6 | H11 | 90.0° | 55.1° |
| C4 | O3 | C6 | H12 | 90.0° | 64.9° |
| O3 | C6 | C7 | H11 | 90.0° | 120.0° |
| O3 | C6 | C7 | H12 | 90.0° | 120.1° |
| O3 | C6 | C7 | O4 | 90.0° | 65.3° |
| O3 | C6 | H11 | H12 | 90.0° | 120.1° |
| O3 | C6 | C7 | H13 | 90.0° | 174.6° |
| O3 | C6 | C7 | H14 | 90.0° | 54.6° |
| C6 | C7 | O4 | H13 | 90.0° | 120.1° |
| C6 | C7 | O4 | H14 | 90.0° | 120.0° |
| C7 | C6 | H11 | H12 | 90.0° | 120.0° |
| C6 | C7 | H13 | H14 | 90.0° | 120.0° |
| C6 | C7 | O4 | C20 | 90.0° | 175.3° |
| O4 | C7 | C6 | H11 | 90.0° | 54.6° |
| O4 | C7 | C6 | H12 | 90.0° | 174.6° |
| O4 | C7 | H13 | H14 | 90.0° | 119.9° |
| C7 | O4 | C20 | C21 | 90.0° | 174.6° |
| C7 | O4 | C20 | H15 | 90.0° | 54.6° |
| C7 | O4 | C20 | H41 | 90.0° | 65.4° |
| H11 | C6 | C7 | H13 | 90.0° | 65.4° |
| H11 | C6 | C7 | H14 | 90.0° | 174.6° |
| H12 | C6 | C7 | H13 | 90.0° | 54.6° |
| H12 | C6 | C7 | H14 | 90.0° | 65.5° |
| H13 | C7 | O4 | C20 | 90.0° | 64.7° |
| H14 | C7 | O4 | C20 | 90.0° | 55.3° |
| O6 | C10 | C11 | H20 | 90.0° | 120.0° |
| O6 | C10 | C11 | H21 | 90.0° | 120.0° |
| O6 | C10 | C11 | O8 | 90.0° | 65.6° |
| O6 | C10 | H20 | H21 | 90.0° | 120.1° |
| O6 | C10 | C11 | H22 | 90.0° | 174.4° |
| O6 | C10 | C11 | H23 | 90.0° | 54.4° |
| C10 | C11 | O8 | H22 | 90.0° | 119.9° |
| C10 | C11 | O8 | H23 | 90.0° | 120.0° |
| C11 | C10 | H20 | H21 | 90.0° | 119.9° |
| C10 | C11 | H22 | H23 | 90.0° | 120.1° |
| C10 | C11 | O8 | C12 | 90.0° | 180.0° |
| O8 | C11 | C10 | H20 | 90.0° | 54.4° |
| O8 | C11 | C10 | H21 | 90.0° | 174.4° |
| O8 | C11 | H22 | H23 | 90.0° | 120.0° |
| C11 | O8 | C12 | C13 | 90.0° | 180.0° |
| C11 | O8 | C12 | H24 | 90.0° | 60.0° |
| C11 | O8 | C12 | H25 | 90.0° | 60.0° |
| H20 | C10 | C11 | H22 | 90.0° | 65.5° |
| H20 | C10 | C11 | H23 | 90.0° | 174.4° |
| H21 | C10 | C11 | H22 | 90.0° | 54.4° |
| H21 | C10 | C11 | H23 | 90.0° | 65.6° |
| H22 | C11 | O8 | C12 | 90.0° | 60.0° |
| H23 | C11 | O8 | C12 | 90.0° | 60.0° |
| O8 | C12 | C13 | H24 | 90.0° | 120.0° |
| O8 | C12 | C13 | H25 | 90.0° | 120.0° |
| O8 | C12 | C13 | O7 | 90.0° | 65.1° |
| O8 | C12 | H24 | H25 | 90.0° | 120.0° |
| O8 | C12 | C13 | H26 | 90.0° | 175.0° |
| O8 | C12 | C13 | H27 | 90.0° | 55.0° |
| C12 | C13 | O7 | H26 | 90.0° | 119.9° |
| C12 | C13 | O7 | H27 | 90.0° | 120.1° |
| C13 | C12 | H24 | H25 | 90.0° | 120.0° |
| C12 | C13 | H26 | H27 | 90.0° | 120.0° |
| C12 | C13 | O7 | C14 | 90.0° | 180.0° |
| O7 | C13 | C12 | H24 | 90.0° | 54.9° |
| O7 | C13 | C12 | H25 | 90.0° | 175.0° |
| O7 | C13 | H26 | H27 | 90.0° | 120.0° |
| C13 | O7 | C14 | C15 | 90.0° | 179.9° |
| C13 | O7 | C14 | H28 | 90.0° | 60.0° |
| C13 | O7 | C14 | H29 | 90.0° | 60.0° |
| H24 | C12 | C13 | H26 | 90.0° | 65.0° |
| H24 | C12 | C13 | H27 | 90.0° | 175.0° |
| H25 | C12 | C13 | H26 | 90.0° | 55.1° |
| H25 | C12 | C13 | H27 | 90.0° | 65.0° |
| H26 | C13 | O7 | C14 | 90.0° | 60.0° |
| H27 | C13 | O7 | C14 | 90.0° | 60.0° |
| O7 | C14 | C15 | H28 | 90.0° | 120.0° |
| O7 | C14 | C15 | H29 | 90.0° | 120.0° |
| O7 | C14 | C15 | O9 | 90.0° | 65.0° |
| O7 | C14 | H28 | H29 | 90.0° | 120.0° |
| O7 | C14 | C15 | H30 | 90.0° | 175.0° |
| O7 | C14 | C15 | H31 | 90.0° | 55.0° |
| C14 | C15 | O9 | H30 | 90.0° | 119.9° |
| C14 | C15 | O9 | H31 | 90.0° | 120.0° |
| C15 | C14 | H28 | H29 | 90.0° | 120.0° |
| C14 | C15 | H30 | H31 | 90.0° | 120.0° |
| C14 | C15 | O9 | C16 | 90.0° | 180.0° |
| O9 | C15 | C14 | H28 | 90.0° | 55.0° |
| O9 | C15 | C14 | H29 | 90.0° | 175.0° |
| O9 | C15 | H30 | H31 | 90.0° | 120.0° |
| C15 | O9 | C16 | C17 | 90.0° | 180.0° |
| C15 | O9 | C16 | H32 | 90.0° | 60.0° |
| C15 | O9 | C16 | H33 | 90.0° | 60.0° |
| H28 | C14 | C15 | H30 | 90.0° | 65.0° |
| H28 | C14 | C15 | H31 | 90.0° | 175.0° |
| H29 | C14 | C15 | H30 | 90.0° | 55.0° |
| H29 | C14 | C15 | H31 | 90.0° | 65.0° |
| H30 | C15 | O9 | C16 | 90.0° | 60.0° |
| H31 | C15 | O9 | C16 | 90.0° | 60.0° |
| O9 | C16 | C17 | H32 | 90.0° | 120.0° |
| O9 | C16 | C17 | H33 | 90.0° | 120.0° |
| O9 | C16 | C17 | O10 | 90.0° | 65.0° |
| O9 | C16 | H32 | H33 | 90.0° | 120.0° |
| O9 | C16 | C17 | H34 | 90.0° | 175.0° |
| O9 | C16 | C17 | H35 | 90.0° | 54.9° |
| C16 | C17 | O10 | H34 | 90.0° | 120.0° |
| C16 | C17 | O10 | H35 | 90.0° | 120.0° |
| C17 | C16 | H32 | H33 | 90.0° | 120.0° |
| C16 | C17 | H34 | H35 | 90.0° | 120.1° |
| C16 | C17 | O10 | C18 | 90.0° | 180.0° |
| O10 | C17 | C16 | H32 | 90.0° | 55.0° |
| O10 | C17 | C16 | H33 | 90.0° | 175.0° |
| O10 | C17 | H34 | H35 | 90.0° | 119.9° |
| C17 | O10 | C18 | C19 | 90.0° | 180.0° |
| C17 | O10 | C18 | H36 | 90.0° | 60.0° |
| C17 | O10 | C18 | H37 | 90.0° | 60.0° |
| H32 | C16 | C17 | H34 | 90.0° | 65.0° |
| H32 | C16 | C17 | H35 | 90.0° | 175.0° |
| H33 | C16 | C17 | H34 | 90.0° | 55.0° |
| H33 | C16 | C17 | H35 | 90.0° | 65.0° |
| H34 | C17 | O10 | C18 | 90.0° | 60.0° |
| H35 | C17 | O10 | C18 | 90.0° | 60.0° |
| O10 | C18 | C19 | H36 | 90.0° | 119.9° |
| O10 | C18 | C19 | H37 | 90.0° | 120.0° |
| O10 | C18 | C19 | O11 | 90.0° | 65.0° |
| O10 | C18 | H36 | H37 | 90.0° | 119.9° |
| O10 | C18 | C19 | H38 | 90.0° | 175.0° |
| O10 | C18 | C19 | H39 | 90.0° | 55.0° |
| C18 | C19 | O11 | H38 | 90.0° | 120.0° |
| C18 | C19 | O11 | H39 | 90.0° | 120.0° |
| C19 | C18 | H36 | H37 | 90.0° | 120.1° |
| C18 | C19 | H38 | H39 | 90.0° | 120.0° |
| C18 | C19 | O11 | H40 | 90.0° | 180.0° |
| O11 | C19 | C18 | H36 | 90.0° | 55.0° |
| O11 | C19 | C18 | H37 | 90.0° | 175.0° |
| O11 | C19 | H38 | H39 | 90.0° | 120.0° |
| H36 | C18 | C19 | H38 | 90.0° | 65.1° |
| H36 | C18 | C19 | H39 | 90.0° | 175.0° |
| H37 | C18 | C19 | H38 | 90.0° | 55.0° |
| H37 | C18 | C19 | H39 | 90.0° | 64.9° |
| H38 | C19 | O11 | H40 | 90.0° | 59.9° |
| H39 | C19 | O11 | H40 | 90.0° | 60.0° |
| O4 | C20 | C21 | H15 | 90.0° | 120.0° |
| O4 | C20 | C21 | H41 | 90.0° | 120.0° |
| O4 | C20 | C21 | O12 | 90.0° | 64.8° |
| O4 | C20 | H15 | H41 | 90.0° | 120.0° |
| O4 | C20 | C21 | H42 | 90.0° | 175.2° |
| O4 | C20 | C21 | H43 | 90.0° | 55.2° |
| C20 | C21 | O12 | H42 | 90.0° | 120.1° |
| C20 | C21 | O12 | H43 | 90.0° | 120.0° |
| C21 | C20 | H15 | H41 | 90.0° | 119.9° |
| C20 | C21 | H42 | H43 | 90.0° | 120.0° |
| C20 | C21 | O12 | C22 | 90.0° | 175.0° |
| O12 | C21 | C20 | H15 | 90.0° | 55.3° |
| O12 | C21 | C20 | H41 | 90.0° | 175.2° |
| O12 | C21 | H42 | H43 | 90.0° | 120.0° |
| C21 | O12 | C22 | C23 | 90.0° | 175.1° |
| C21 | O12 | C22 | H44 | 90.0° | 64.9° |
| C21 | O12 | C22 | H45 | 90.0° | 55.1° |
| H15 | C20 | C21 | H42 | 90.0° | 64.8° |
| H15 | C20 | C21 | H43 | 90.0° | 175.2° |
| H41 | C20 | C21 | H42 | 90.0° | 55.2° |
| H41 | C20 | C21 | H43 | 90.0° | 64.8° |
| H42 | C21 | O12 | C22 | 90.0° | 54.9° |
| H43 | C21 | O12 | C22 | 90.0° | 65.0° |
| O12 | C22 | C23 | H44 | 90.0° | 120.0° |
| O12 | C22 | C23 | H45 | 90.0° | 120.0° |
| O12 | C22 | C23 | O13 | 90.0° | 65.0° |
| O12 | C22 | H44 | H45 | 90.0° | 120.0° |
| O12 | C22 | C23 | H46 | 90.0° | 175.0° |
| O12 | C22 | C23 | H47 | 90.0° | 55.0° |
| C22 | C23 | O13 | H46 | 90.0° | 120.0° |
| C22 | C23 | O13 | H47 | 90.0° | 120.0° |
| C23 | C22 | H44 | H45 | 90.0° | 120.0° |
| C22 | C23 | H46 | H47 | 90.0° | 120.0° |
| C22 | C23 | O13 | C24 | 90.0° | 180.0° |
| O13 | C23 | C22 | H44 | 90.0° | 54.9° |
| O13 | C23 | C22 | H45 | 90.0° | 175.0° |
| O13 | C23 | H46 | H47 | 90.0° | 120.0° |
| C23 | O13 | C24 | C25 | 90.0° | 180.0° |
| C23 | O13 | C24 | H48 | 90.0° | 60.0° |
| C23 | O13 | C24 | H49 | 90.0° | 60.0° |
| H44 | C22 | C23 | H46 | 90.0° | 65.0° |
| H44 | C22 | C23 | H47 | 90.0° | 175.0° |
| H45 | C22 | C23 | H46 | 90.0° | 55.1° |
| H45 | C22 | C23 | H47 | 90.0° | 65.0° |
| H46 | C23 | O13 | C24 | 90.0° | 60.0° |
| H47 | C23 | O13 | C24 | 90.0° | 60.0° |
| O13 | C24 | C25 | H48 | 90.0° | 120.0° |
| O13 | C24 | C25 | H49 | 90.0° | 120.0° |
| O13 | C24 | C25 | O14 | 90.0° | 64.9° |
| O13 | C24 | H48 | H49 | 90.0° | 120.0° |
| O13 | C24 | C25 | H50 | 90.0° | 174.9° |
| O13 | C24 | C25 | H51 | 90.0° | 55.0° |
| C24 | C25 | O14 | H50 | 90.0° | 120.1° |
| C24 | C25 | O14 | H51 | 90.0° | 119.9° |
| C24 | C25 | O14 | C26 | 90.0° | 180.0° |
| C25 | C24 | H48 | H49 | 90.0° | 120.0° |
| C24 | C25 | H50 | H51 | 90.0° | 120.0° |
| C25 | O14 | C26 | C27 | 90.0° | 179.9° |
| O14 | C25 | C24 | H48 | 90.0° | 55.1° |
| O14 | C25 | C24 | H49 | 90.0° | 175.1° |
| O14 | C25 | H50 | H51 | 90.0° | 120.0° |
| C25 | O14 | C26 | H52 | 90.0° | 59.9° |
| C25 | O14 | C26 | H53 | 90.0° | 60.0° |
| O14 | C26 | C27 | H52 | 90.0° | 120.0° |
| O14 | C26 | C27 | H53 | 90.0° | 120.0° |
| O14 | C26 | C27 | O15 | 90.0° | 65.0° |
| C26 | O14 | C25 | H50 | 90.0° | 60.0° |
| C26 | O14 | C25 | H51 | 90.0° | 60.0° |
| O14 | C26 | H52 | H53 | 90.0° | 120.0° |
| O14 | C26 | C27 | H54 | 90.0° | 175.0° |
| O14 | C26 | C27 | H55 | 90.0° | 55.0° |
| C26 | C27 | O15 | H54 | 90.0° | 120.0° |
| C26 | C27 | O15 | H55 | 90.0° | 120.0° |
| C27 | C26 | H52 | H53 | 90.0° | 120.0° |
| C26 | C27 | H54 | H55 | 90.0° | 120.0° |
| C26 | C27 | O15 | C28 | 90.0° | 180.0° |
| O15 | C27 | C26 | H52 | 90.0° | 55.0° |
| O15 | C27 | C26 | H53 | 90.0° | 175.0° |
| O15 | C27 | H54 | H55 | 90.0° | 120.0° |
| C27 | O15 | C28 | C29 | 90.0° | 180.0° |
| C27 | O15 | C28 | H56 | 90.0° | 60.0° |
| C27 | O15 | C28 | H57 | 90.0° | 60.0° |
| H48 | C24 | C25 | H50 | 90.0° | 65.0° |
| H48 | C24 | C25 | H51 | 90.0° | 175.0° |
| H49 | C24 | C25 | H50 | 90.0° | 55.0° |
| H49 | C24 | C25 | H51 | 90.0° | 65.0° |
| H52 | C26 | C27 | H54 | 90.0° | 65.0° |
| H52 | C26 | C27 | H55 | 90.0° | 175.0° |
| H53 | C26 | C27 | H54 | 90.0° | 54.9° |
| H53 | C26 | C27 | H55 | 90.0° | 65.0° |
| H54 | C27 | O15 | C28 | 90.0° | 60.0° |
| H55 | C27 | O15 | C28 | 90.0° | 60.0° |
| O15 | C28 | C29 | H56 | 90.0° | 120.0° |
| O15 | C28 | C29 | H57 | 90.0° | 120.1° |
| O15 | C28 | C29 | O16 | 90.0° | 65.0° |
| O15 | C28 | H56 | H57 | 90.0° | 120.0° |
| O15 | C28 | C29 | H58 | 90.0° | 175.0° |
| O15 | C28 | C29 | H59 | 90.0° | 55.0° |
| C28 | C29 | O16 | H58 | 90.0° | 120.0° |
| C28 | C29 | O16 | H59 | 90.0° | 120.0° |
| C29 | C28 | H56 | H57 | 90.0° | 120.0° |
| C28 | C29 | H58 | H59 | 90.0° | 120.0° |
| C28 | C29 | O16 | H60 | 90.0° | 180.0° |
| O16 | C29 | C28 | H56 | 90.0° | 55.0° |
| O16 | C29 | C28 | H57 | 90.0° | 174.9° |
| O16 | C29 | H58 | H59 | 90.0° | 120.1° |
| H56 | C28 | C29 | H58 | 90.0° | 65.0° |
| H56 | C28 | C29 | H59 | 90.0° | 175.0° |
| H57 | C28 | C29 | H58 | 90.0° | 55.0° |
| H57 | C28 | C29 | H59 | 90.0° | 65.0° |
| H58 | C29 | O16 | H60 | 90.0° | 60.1° |
| H59 | C29 | O16 | H60 | 90.0° | 60.0° |
| O1 | C30 | C31 | H1 | 90.0° | 120.0° |
| O1 | C30 | C31 | H61 | 90.0° | 120.0° |
| O1 | C30 | C31 | O17 | 90.0° | 65.0° |
| O1 | C30 | H1 | H61 | 90.0° | 120.0° |
| O1 | C30 | C31 | H62 | 90.0° | 175.0° |
| O1 | C30 | C31 | H63 | 90.0° | 55.0° |
| C30 | C31 | O17 | H62 | 90.0° | 120.0° |
| C30 | C31 | O17 | H63 | 90.0° | 119.9° |
| C30 | C31 | O17 | C32 | 90.0° | 180.0° |
| C31 | C30 | H1 | H61 | 90.0° | 119.9° |
| C30 | C31 | H62 | H63 | 90.0° | 120.0° |
| C31 | O17 | C32 | C33 | 90.0° | 180.0° |
| O17 | C31 | C30 | H1 | 90.0° | 55.0° |
| O17 | C31 | C30 | H61 | 90.0° | 175.0° |
| O17 | C31 | H62 | H63 | 90.0° | 120.1° |
| C31 | O17 | C32 | H64 | 90.0° | 60.0° |
| C31 | O17 | C32 | H65 | 90.0° | 60.1° |
| O17 | C32 | C33 | H64 | 90.0° | 120.0° |
| O17 | C32 | C33 | H65 | 90.0° | 120.0° |
| O17 | C32 | C33 | O18 | 90.0° | 65.0° |
| C32 | O17 | C31 | H62 | 90.0° | 60.0° |
| C32 | O17 | C31 | H63 | 90.0° | 60.1° |
| O17 | C32 | H64 | H65 | 90.0° | 120.1° |
| O17 | C32 | C33 | H66 | 90.0° | 175.0° |
| O17 | C32 | C33 | H67 | 90.0° | 54.9° |
| C32 | C33 | O18 | H66 | 90.0° | 120.0° |
| C32 | C33 | O18 | H67 | 90.0° | 120.0° |
| C32 | C33 | O18 | C34 | 90.0° | 180.0° |
| C33 | C32 | H64 | H65 | 90.0° | 120.0° |
| C32 | C33 | H66 | H67 | 90.0° | 120.1° |
| C33 | O18 | C34 | C35 | 90.0° | 180.0° |
| O18 | C33 | C32 | H64 | 90.0° | 55.0° |
| O18 | C33 | C32 | H65 | 90.0° | 175.0° |
| O18 | C33 | H66 | H67 | 90.0° | 119.9° |
| C33 | O18 | C34 | H68 | 90.0° | 60.0° |
| C33 | O18 | C34 | H69 | 90.0° | 60.0° |
| O18 | C34 | C35 | H68 | 90.0° | 120.0° |
| O18 | C34 | C35 | H69 | 90.0° | 120.0° |
| O18 | C34 | C35 | O19 | 90.0° | 65.0° |
| C34 | O18 | C33 | H66 | 90.0° | 60.0° |
| C34 | O18 | C33 | H67 | 90.0° | 60.0° |
| O18 | C34 | H68 | H69 | 90.0° | 120.0° |
| O18 | C34 | C35 | H70 | 90.0° | 175.0° |
| O18 | C34 | C35 | H71 | 90.0° | 55.0° |
| C34 | C35 | O19 | H70 | 90.0° | 120.0° |
| C34 | C35 | O19 | H71 | 90.0° | 120.0° |
| C34 | C35 | O19 | C36 | 90.0° | 180.0° |
| C35 | C34 | H68 | H69 | 90.0° | 120.0° |
| C34 | C35 | H70 | H71 | 90.0° | 120.0° |
| C35 | O19 | C36 | C37 | 90.0° | 180.0° |
| O19 | C35 | C34 | H68 | 90.0° | 55.0° |
| O19 | C35 | C34 | H69 | 90.0° | 175.0° |
| O19 | C35 | H70 | H71 | 90.0° | 120.0° |
| C35 | O19 | C36 | H72 | 90.0° | 60.0° |
| C35 | O19 | C36 | H73 | 90.0° | 60.0° |
| O19 | C36 | C37 | H72 | 90.0° | 119.9° |
| O19 | C36 | C37 | H73 | 90.0° | 120.0° |
| O19 | C36 | C37 | O20 | 90.0° | 65.0° |
| C36 | O19 | C35 | H70 | 90.0° | 60.0° |
| C36 | O19 | C35 | H71 | 90.0° | 60.0° |
| O19 | C36 | H72 | H73 | 90.0° | 120.0° |
| O19 | C36 | C37 | H74 | 90.0° | 175.0° |
| O19 | C36 | C37 | H75 | 90.0° | 55.0° |
| C36 | C37 | O20 | H74 | 90.0° | 120.0° |
| C36 | C37 | O20 | H75 | 90.0° | 120.0° |
| C37 | C36 | H72 | H73 | 90.0° | 120.0° |
| C36 | C37 | H74 | H75 | 90.0° | 120.0° |
| C36 | C37 | O20 | C38 | 90.0° | 180.0° |
| O20 | C37 | C36 | H72 | 90.0° | 54.9° |
| O20 | C37 | C36 | H73 | 90.0° | 175.0° |
| O20 | C37 | H74 | H75 | 90.0° | 119.9° |
| C37 | O20 | C38 | C39 | 90.0° | 180.0° |
| C37 | O20 | C38 | H76 | 90.0° | 60.0° |
| C37 | O20 | C38 | H77 | 90.0° | 60.0° |
| H1 | C30 | C31 | H62 | 90.0° | 65.0° |
| H1 | C30 | C31 | H63 | 90.0° | 175.0° |
| H61 | C30 | C31 | H62 | 90.0° | 55.0° |
| H61 | C30 | C31 | H63 | 90.0° | 65.0° |
| H64 | C32 | C33 | H66 | 90.0° | 64.9° |
| H64 | C32 | C33 | H67 | 90.0° | 174.9° |
| H65 | C32 | C33 | H66 | 90.0° | 55.1° |
| H65 | C32 | C33 | H67 | 90.0° | 65.1° |
| H68 | C34 | C35 | H70 | 90.0° | 65.0° |
| H68 | C34 | C35 | H71 | 90.0° | 175.0° |
| H69 | C34 | C35 | H70 | 90.0° | 55.0° |
| H69 | C34 | C35 | H71 | 90.0° | 65.0° |
| H72 | C36 | C37 | H74 | 90.0° | 65.1° |
| H72 | C36 | C37 | H75 | 90.0° | 174.9° |
| H73 | C36 | C37 | H74 | 90.0° | 55.0° |
| H73 | C36 | C37 | H75 | 90.0° | 65.0° |
| H74 | C37 | O20 | C38 | 90.0° | 60.0° |
| H75 | C37 | O20 | C38 | 90.0° | 60.0° |
| O20 | C38 | C39 | H76 | 90.0° | 120.0° |
| O20 | C38 | C39 | H77 | 90.0° | 120.0° |
| O20 | C38 | C39 | O21 | 90.0° | 65.0° |
| O20 | C38 | H76 | H77 | 90.0° | 120.0° |
| O20 | C38 | C39 | H78 | 90.0° | 175.0° |
| O20 | C38 | C39 | H79 | 90.0° | 55.0° |
| C38 | C39 | O21 | H78 | 90.0° | 120.0° |
| C38 | C39 | O21 | H79 | 90.0° | 120.0° |
| C39 | C38 | H76 | H77 | 90.0° | 120.0° |
| C38 | C39 | H78 | H79 | 90.0° | 120.0° |
| C38 | C39 | O21 | H80 | 90.0° | 180.0° |
| O21 | C39 | C38 | H76 | 90.0° | 55.0° |
| O21 | C39 | C38 | H77 | 90.0° | 175.0° |
| O21 | C39 | H78 | H79 | 90.0° | 119.9° |
| H76 | C38 | C39 | H78 | 90.0° | 65.1° |
| H76 | C38 | C39 | H79 | 90.0° | 175.0° |
| H77 | C38 | C39 | H78 | 90.0° | 55.0° |
| H77 | C38 | C39 | H79 | 90.0° | 65.0° |
| H78 | C39 | O21 | H80 | 90.0° | 60.0° |
| H79 | C39 | O21 | H80 | 90.0° | 60.0° |
