PO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O52 | P51 | doub | 1.48Å | 1.51Å | |
| O54 | P51 | sing | 1.61Å | 1.51Å | |
| P51 | O53 | sing | 1.61Å | 1.51Å | |
| P51 | O50 | sing | 1.61Å | 1.65Å | |
| O50 | C49 | sing | 1.43Å | 1.40Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| O55 | C48 | sing | 1.43Å | 1.40Å | |
| C48 | C47 | sing | 1.53Å | 1.53Å | |
| C47 | O46 | sing | 1.43Å | 1.40Å | |
| O46 | P43 | sing | 1.61Å | 1.65Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| P43 | O45 | doub | 1.48Å | 1.51Å | |
| P43 | O44 | sing | 1.61Å | 1.51Å | |
| P43 | O42 | sing | 1.61Å | 1.65Å | |
| C41 | O42 | sing | 1.43Å | 1.40Å | |
| C41 | C19 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | O18 | sing | 1.45Å | 1.40Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| O21 | C20 | sing | 1.45Å | 1.40Å | |
| O21 | C22 | sing | 1.34Å | 1.40Å | |
| C24 | C22 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.51Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C22 | O23 | doub | 1.21Å | 1.19Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| O18 | C16 | sing | 1.34Å | 1.40Å | |
| C32 | C31 | doub | 1.31Å | 1.32Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | O17 | doub | 1.21Å | 1.19Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.08Å | 1.08Å | |
| C32 | H50 | sing | 1.08Å | 1.08Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C47 | H70 | sing | 1.09Å | 1.10Å | |
| C47 | H71 | sing | 1.09Å | 1.10Å | |
| C48 | H72 | sing | 1.09Å | 1.10Å | |
| C49 | H73 | sing | 1.09Å | 1.10Å | |
| C49 | H74 | sing | 1.09Å | 1.10Å | |
| O44 | H75 | sing | 0.97Å | 0.95Å | |
| O53 | H76 | sing | 0.97Å | 0.95Å | |
| O54 | H77 | sing | 0.97Å | 0.95Å | |
| O55 | H78 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O52 | P51 | O54 | 109.4° | 109.4° |
| O52 | P51 | O53 | 109.6° | 109.5° |
| O52 | P51 | O50 | 109.3° | 109.4° |
| O54 | P51 | O53 | 109.5° | 109.5° |
| O54 | P51 | O50 | 109.4° | 109.5° |
| P51 | O54 | H77 | 109.5° | 114.1° |
| O53 | P51 | O50 | 109.5° | 109.5° |
| P51 | O53 | H76 | 109.5° | 114.0° |
| P51 | O50 | C49 | 117.9° | 123.0° |
| O50 | C49 | C48 | 108.3° | 109.5° |
| O50 | C49 | H73 | 109.8° | 109.5° |
| O50 | C49 | H74 | 109.8° | 109.5° |
| C49 | C48 | O55 | 109.8° | 109.5° |
| C49 | C48 | C47 | 109.7° | 109.5° |
| C49 | C48 | H72 | 108.6° | 109.4° |
| C48 | C49 | H73 | 109.7° | 109.4° |
| C48 | C49 | H74 | 109.7° | 109.5° |
| O55 | C48 | C47 | 109.7° | 109.5° |
| O55 | C48 | H72 | 110.4° | 109.5° |
| C48 | O55 | H78 | 109.5° | 114.0° |
| C48 | C47 | O46 | 107.9° | 109.5° |
| C48 | C47 | H70 | 109.8° | 109.5° |
| C48 | C47 | H71 | 109.9° | 109.5° |
| C47 | C48 | H72 | 108.6° | 109.5° |
| C47 | O46 | P43 | 118.4° | 123.0° |
| O46 | C47 | H70 | 109.9° | 109.5° |
| O46 | C47 | H71 | 109.8° | 109.5° |
| O46 | P43 | O45 | 109.4° | 109.5° |
| O46 | P43 | O44 | 109.3° | 109.5° |
| O46 | P43 | O42 | 109.0° | 109.5° |
| C1 | C2 | C3 | 111.9° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.8° | 109.5° |
| C1 | C2 | H5 | 108.8° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C3 | C2 | H4 | 108.9° | 109.4° |
| C3 | C2 | H5 | 108.9° | 109.5° |
| C2 | C3 | H6 | 108.9° | 109.5° |
| C2 | C3 | H7 | 108.8° | 109.5° |
| C3 | C4 | C5 | 112.0° | 109.5° |
| C4 | C3 | H6 | 108.9° | 109.5° |
| C4 | C3 | H7 | 108.9° | 109.5° |
| C3 | C4 | H8 | 108.8° | 109.5° |
| C3 | C4 | H9 | 108.8° | 109.4° |
| C4 | C5 | C6 | 111.3° | 109.5° |
| C5 | C4 | H8 | 108.8° | 109.5° |
| C5 | C4 | H9 | 108.8° | 109.5° |
| C4 | C5 | H10 | 109.0° | 109.5° |
| C4 | C5 | H11 | 109.0° | 109.4° |
| C5 | C6 | C7 | 112.4° | 109.5° |
| C6 | C5 | H10 | 109.0° | 109.5° |
| C6 | C5 | H11 | 109.0° | 109.5° |
| C5 | C6 | H12 | 108.7° | 109.5° |
| C5 | C6 | H13 | 108.7° | 109.5° |
| C6 | C7 | C8 | 111.1° | 109.5° |
| C7 | C6 | H12 | 108.7° | 109.5° |
| C7 | C6 | H13 | 108.7° | 109.5° |
| C6 | C7 | H14 | 109.1° | 109.5° |
| C6 | C7 | H15 | 109.1° | 109.5° |
| O45 | P43 | O44 | 110.0° | 109.4° |
| O45 | P43 | O42 | 110.1° | 109.5° |
| O44 | P43 | O42 | 109.0° | 109.5° |
| P43 | O44 | H75 | 109.5° | 114.1° |
| P43 | O42 | C41 | 117.4° | 123.0° |
| O42 | C41 | C19 | 108.3° | 109.4° |
| O42 | C41 | H68 | 109.8° | 109.5° |
| O42 | C41 | H69 | 109.8° | 109.5° |
| C41 | C19 | C20 | 109.5° | 109.5° |
| C41 | C19 | O18 | 109.5° | 109.5° |
| C41 | C19 | H32 | 108.9° | 109.5° |
| C19 | C41 | H68 | 109.7° | 109.5° |
| C19 | C41 | H69 | 109.8° | 109.5° |
| C7 | C8 | C9 | 111.6° | 109.5° |
| C8 | C7 | H14 | 109.0° | 109.4° |
| C8 | C7 | H15 | 109.1° | 109.5° |
| C7 | C8 | H16 | 108.9° | 109.4° |
| C7 | C8 | H17 | 108.9° | 109.4° |
| C8 | C9 | C10 | 111.8° | 109.5° |
| C9 | C8 | H16 | 108.9° | 109.5° |
| C9 | C8 | H17 | 108.9° | 109.5° |
| C8 | C9 | H18 | 108.9° | 109.5° |
| C8 | C9 | H19 | 108.9° | 109.5° |
| C9 | C10 | C11 | 111.4° | 109.5° |
| C10 | C9 | H18 | 108.9° | 109.4° |
| C10 | C9 | H19 | 108.9° | 109.4° |
| C9 | C10 | H20 | 109.0° | 109.4° |
| C9 | C10 | H21 | 109.0° | 109.5° |
| C10 | C11 | C12 | 111.3° | 109.5° |
| C11 | C10 | H20 | 109.0° | 109.5° |
| C11 | C10 | H21 | 109.0° | 109.5° |
| C10 | C11 | H22 | 109.0° | 109.5° |
| C10 | C11 | H23 | 109.0° | 109.5° |
| C12 | C13 | C14 | 110.9° | 109.5° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C13 | C12 | H24 | 108.9° | 109.5° |
| C13 | C12 | H25 | 108.9° | 109.5° |
| C12 | C13 | H26 | 109.1° | 109.5° |
| C12 | C13 | H27 | 109.1° | 109.5° |
| C13 | C14 | C15 | 112.6° | 109.5° |
| C14 | C13 | H26 | 109.1° | 109.5° |
| C14 | C13 | H27 | 109.1° | 109.5° |
| C13 | C14 | H28 | 108.7° | 109.5° |
| C13 | C14 | H29 | 108.7° | 109.5° |
| C20 | C19 | O18 | 109.4° | 109.5° |
| C19 | C20 | O21 | 107.8° | 109.4° |
| C20 | C19 | H32 | 108.9° | 109.4° |
| C19 | C20 | H33 | 109.9° | 109.4° |
| C19 | C20 | H34 | 109.9° | 109.5° |
| C19 | O18 | C16 | 113.2° | 117.0° |
| O18 | C19 | H32 | 110.7° | 109.5° |
| C12 | C11 | H22 | 109.0° | 109.5° |
| C12 | C11 | H23 | 109.0° | 109.5° |
| C11 | C12 | H24 | 108.9° | 109.5° |
| C11 | C12 | H25 | 108.9° | 109.4° |
| C20 | O21 | C22 | 113.7° | 117.0° |
| O21 | C20 | H33 | 109.9° | 109.5° |
| O21 | C20 | H34 | 109.9° | 109.5° |
| O21 | C22 | C24 | 120.0° | 120.0° |
| O21 | C22 | O23 | 120.0° | 120.0° |
| C22 | C24 | C25 | 111.2° | 109.5° |
| C24 | C22 | O23 | 120.0° | 120.0° |
| C22 | C24 | H35 | 109.1° | 109.5° |
| C22 | C24 | H36 | 109.0° | 109.5° |
| C24 | C25 | C26 | 112.2° | 109.5° |
| C25 | C24 | H35 | 109.0° | 109.5° |
| C25 | C24 | H36 | 109.0° | 109.5° |
| C24 | C25 | H37 | 108.7° | 109.5° |
| C24 | C25 | H38 | 108.8° | 109.5° |
| C30 | C29 | C28 | 111.2° | 109.5° |
| C29 | C30 | C31 | 108.3° | 109.5° |
| C30 | C29 | H45 | 109.0° | 109.5° |
| C30 | C29 | H46 | 109.0° | 109.5° |
| C29 | C30 | H47 | 109.7° | 109.5° |
| C29 | C30 | H48 | 109.8° | 109.5° |
| C29 | C28 | C27 | 111.8° | 109.5° |
| C29 | C28 | H43 | 108.9° | 109.4° |
| C29 | C28 | H44 | 108.9° | 109.5° |
| C28 | C29 | H45 | 109.0° | 109.4° |
| C28 | C29 | H46 | 109.1° | 109.5° |
| C34 | C33 | C32 | 109.0° | 109.4° |
| C33 | C34 | C35 | 111.5° | 109.5° |
| C34 | C33 | H51 | 109.6° | 109.5° |
| C34 | C33 | H52 | 109.6° | 109.5° |
| C33 | C34 | H53 | 108.9° | 109.5° |
| C33 | C34 | H54 | 109.0° | 109.5° |
| C33 | C32 | C31 | 120.1° | 120.0° |
| C33 | C32 | H50 | 119.9° | 120.0° |
| C32 | C33 | H51 | 109.6° | 109.5° |
| C32 | C33 | H52 | 109.6° | 109.4° |
| C34 | C35 | C36 | 111.2° | 109.5° |
| C35 | C34 | H53 | 108.9° | 109.4° |
| C35 | C34 | H54 | 108.9° | 109.5° |
| C34 | C35 | H55 | 109.1° | 109.5° |
| C34 | C35 | H56 | 109.0° | 109.5° |
| C25 | C26 | C27 | 111.4° | 109.5° |
| C26 | C25 | H37 | 108.8° | 109.5° |
| C26 | C25 | H38 | 108.8° | 109.5° |
| C25 | C26 | H39 | 109.0° | 109.5° |
| C25 | C26 | H40 | 109.0° | 109.5° |
| C26 | C27 | C28 | 111.8° | 109.5° |
| C27 | C26 | H39 | 109.0° | 109.4° |
| C27 | C26 | H40 | 109.0° | 109.5° |
| C26 | C27 | H41 | 108.9° | 109.5° |
| C26 | C27 | H42 | 108.9° | 109.5° |
| C30 | C31 | C32 | 120.2° | 120.0° |
| C31 | C30 | H47 | 109.8° | 109.5° |
| C31 | C30 | H48 | 109.8° | 109.5° |
| C30 | C31 | H49 | 119.9° | 120.0° |
| C35 | C36 | C37 | 112.1° | 109.5° |
| C36 | C35 | H55 | 109.0° | 109.5° |
| C36 | C35 | H56 | 109.0° | 109.5° |
| C35 | C36 | H57 | 108.8° | 109.4° |
| C35 | C36 | H58 | 108.8° | 109.5° |
| O18 | C16 | C15 | 119.2° | 120.0° |
| O18 | C16 | O17 | 119.6° | 120.0° |
| C32 | C31 | H49 | 119.9° | 120.0° |
| C31 | C32 | H50 | 119.9° | 120.0° |
| C14 | C15 | C16 | 113.8° | 109.5° |
| C15 | C14 | H28 | 108.7° | 109.4° |
| C15 | C14 | H29 | 108.7° | 109.5° |
| C14 | C15 | H30 | 108.4° | 109.4° |
| C14 | C15 | H31 | 108.4° | 109.5° |
| C15 | C16 | O17 | 121.2° | 120.0° |
| C16 | C15 | H30 | 108.4° | 109.4° |
| C16 | C15 | H31 | 108.4° | 109.5° |
| C28 | C27 | H41 | 108.9° | 109.5° |
| C28 | C27 | H42 | 108.9° | 109.5° |
| C27 | C28 | H43 | 108.9° | 109.5° |
| C27 | C28 | H44 | 108.9° | 109.5° |
| C36 | C37 | C38 | 112.6° | 109.5° |
| C37 | C36 | H57 | 108.8° | 109.4° |
| C37 | C36 | H58 | 108.8° | 109.5° |
| C36 | C37 | H59 | 108.7° | 109.5° |
| C36 | C37 | H60 | 108.7° | 109.5° |
| C37 | C38 | C39 | 111.3° | 109.5° |
| C38 | C37 | H59 | 108.7° | 109.5° |
| C38 | C37 | H60 | 108.7° | 109.5° |
| C37 | C38 | H61 | 109.0° | 109.5° |
| C37 | C38 | H62 | 109.0° | 109.5° |
| C38 | C39 | C40 | 112.2° | 109.5° |
| C39 | C38 | H61 | 109.0° | 109.5° |
| C39 | C38 | H62 | 109.0° | 109.5° |
| C38 | C39 | H63 | 108.8° | 109.5° |
| C38 | C39 | H64 | 108.8° | 109.5° |
| C40 | C39 | H63 | 108.8° | 109.5° |
| C40 | C39 | H64 | 108.7° | 109.5° |
| C39 | C40 | H65 | 109.5° | 109.5° |
| C39 | C40 | H66 | 109.5° | 109.5° |
| C39 | C40 | H67 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.4° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.4° |
| H14 | C7 | H15 | 109.5° | 109.4° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.4° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.4° |
| H22 | C11 | H23 | 109.5° | 109.4° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.4° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.5° |
| H30 | C15 | H31 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H35 | C24 | H36 | 109.5° | 109.4° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.4° | 109.4° |
| H43 | C28 | H44 | 109.4° | 109.4° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| H47 | C30 | H48 | 109.4° | 109.4° |
| H51 | C33 | H52 | 109.5° | 109.5° |
| H53 | C34 | H54 | 109.5° | 109.5° |
| H55 | C35 | H56 | 109.5° | 109.4° |
| H57 | C36 | H58 | 109.4° | 109.5° |
| H59 | C37 | H60 | 109.5° | 109.4° |
| H61 | C38 | H62 | 109.4° | 109.4° |
| H63 | C39 | H64 | 109.5° | 109.4° |
| H65 | C40 | H66 | 109.4° | 109.4° |
| H65 | C40 | H67 | 109.5° | 109.5° |
| H66 | C40 | H67 | 109.5° | 109.5° |
| H68 | C41 | H69 | 109.5° | 109.5° |
| H70 | C47 | H71 | 109.5° | 109.4° |
| H73 | C49 | H74 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O52 | P51 | O54 | O53 | 120.2° | 120.1° |
| O52 | P51 | O54 | O50 | 119.7° | 119.9° |
| O52 | P51 | O53 | O50 | 119.9° | 120.0° |
| O52 | P51 | O50 | C49 | 72.7° | 55.0° |
| O52 | P51 | O53 | H76 | 0.0° | 60.0° |
| O52 | P51 | O54 | H77 | 0.0° | 179.9° |
| O54 | P51 | O53 | O50 | 120.0° | 120.0° |
| O54 | P51 | O50 | C49 | 167.5° | 65.0° |
| O54 | P51 | O53 | H76 | 120.1° | 60.0° |
| O53 | P51 | O50 | C49 | 47.4° | 175.0° |
| O53 | P51 | O54 | H77 | 120.2° | 60.0° |
| P51 | O50 | C49 | C48 | 171.1° | 180.0° |
| P51 | O50 | C49 | H73 | 69.1° | 60.0° |
| P51 | O50 | C49 | H74 | 51.3° | 60.0° |
| O50 | P51 | O53 | H76 | 119.9° | 180.0° |
| O50 | P51 | O54 | H77 | 119.7° | 60.0° |
| O50 | C49 | C48 | H73 | 119.9° | 120.0° |
| O50 | C49 | C48 | H74 | 119.8° | 120.0° |
| O50 | C49 | C48 | O55 | 31.1° | 65.0° |
| O50 | C49 | C48 | C47 | 89.5° | 175.0° |
| O50 | C49 | C48 | H72 | 151.8° | 55.0° |
| O50 | C49 | H73 | H74 | 120.5° | 120.0° |
| C49 | C48 | O55 | C47 | 120.6° | 120.0° |
| C49 | C48 | O55 | H72 | 119.7° | 120.0° |
| C49 | C48 | C47 | H72 | 118.6° | 119.9° |
| C49 | C48 | C47 | O46 | 165.1° | 175.0° |
| C49 | C48 | C47 | H70 | 75.2° | 54.9° |
| C49 | C48 | C47 | H71 | 45.3° | 65.1° |
| C48 | C49 | H73 | H74 | 120.5° | 120.0° |
| C49 | C48 | O55 | H78 | 180.0° | 60.0° |
| O55 | C48 | C47 | H72 | 120.7° | 120.0° |
| O55 | C48 | C47 | O46 | 44.4° | 65.0° |
| O55 | C48 | C47 | H70 | 164.2° | 175.0° |
| O55 | C48 | C47 | H71 | 75.3° | 55.0° |
| O55 | C48 | C49 | H73 | 88.8° | 55.0° |
| O55 | C48 | C49 | H74 | 150.9° | 175.0° |
| C48 | C47 | O46 | H70 | 119.7° | 120.0° |
| C48 | C47 | O46 | H71 | 119.8° | 120.0° |
| C48 | C47 | O46 | P43 | 131.5° | 180.0° |
| C48 | C47 | H70 | H71 | 120.7° | 120.0° |
| C47 | C48 | C49 | H73 | 150.6° | 65.0° |
| C47 | C48 | C49 | H74 | 30.3° | 55.0° |
| C47 | C48 | O55 | H78 | 59.4° | 60.0° |
| C47 | O46 | P43 | O45 | 8.0° | 55.0° |
| C47 | O46 | P43 | O44 | 112.5° | 65.0° |
| C47 | O46 | P43 | O42 | 128.5° | 175.0° |
| O46 | C47 | H70 | H71 | 120.7° | 120.0° |
| O46 | C47 | C48 | H72 | 76.3° | 55.0° |
| O46 | P43 | O45 | O44 | 120.1° | 120.0° |
| O46 | P43 | O45 | O42 | 119.8° | 120.1° |
| O46 | P43 | O44 | O42 | 119.1° | 120.0° |
| O46 | P43 | O42 | C41 | 54.3° | 175.0° |
| P43 | O46 | C47 | H70 | 11.8° | 60.0° |
| P43 | O46 | C47 | H71 | 108.7° | 60.0° |
| O46 | P43 | O44 | H75 | 120.1° | 60.0° |
| C1 | C2 | C3 | H4 | 120.4° | 120.0° |
| C1 | C2 | C3 | H5 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 173.0° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.9° | 120.0° |
| C1 | C2 | C3 | H6 | 66.6° | 60.0° |
| C1 | C2 | C3 | H7 | 52.7° | 60.0° |
| C2 | C3 | C4 | H6 | 120.4° | 120.0° |
| C2 | C3 | C4 | H7 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 169.5° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 118.9° | 120.0° |
| C2 | C3 | H6 | H7 | 118.9° | 120.0° |
| C2 | C3 | C4 | H8 | 49.1° | 60.0° |
| C2 | C3 | C4 | H9 | 70.2° | 60.0° |
| C3 | C4 | C5 | H8 | 120.4° | 120.1° |
| C3 | C4 | C5 | H9 | 120.4° | 119.9° |
| C3 | C4 | C5 | C6 | 173.7° | NaN° |
| C4 | C3 | C2 | H4 | 52.7° | 60.0° |
| C4 | C3 | C2 | H5 | 66.6° | 60.0° |
| C4 | C3 | H6 | H7 | 118.9° | 120.0° |
| C3 | C4 | H8 | H9 | 118.8° | 120.0° |
| C3 | C4 | C5 | H10 | 66.0° | 59.9° |
| C3 | C4 | C5 | H11 | 53.4° | 60.1° |
| C4 | C5 | C6 | H10 | 120.3° | 120.1° |
| C4 | C5 | C6 | H11 | 120.3° | 119.9° |
| C4 | C5 | C6 | C7 | 170.8° | 180.0° |
| C5 | C4 | C3 | H6 | 70.2° | 59.9° |
| C5 | C4 | C3 | H7 | 49.1° | 60.0° |
| C5 | C4 | H8 | H9 | 118.8° | 120.0° |
| C4 | C5 | H10 | H11 | 119.2° | 119.9° |
| C4 | C5 | C6 | H12 | 68.8° | 59.9° |
| C4 | C5 | C6 | H13 | 50.3° | 60.0° |
| C5 | C6 | C7 | H12 | 120.4° | 120.0° |
| C5 | C6 | C7 | H13 | 120.4° | 120.0° |
| C5 | C6 | C7 | C8 | 153.5° | 180.0° |
| C6 | C5 | C4 | H8 | 53.3° | 59.9° |
| C6 | C5 | C4 | H9 | 65.9° | 60.1° |
| C6 | C5 | H10 | H11 | 119.2° | 120.0° |
| C5 | C6 | H12 | H13 | 118.6° | 120.0° |
| C5 | C6 | C7 | H14 | 33.2° | 60.0° |
| C5 | C6 | C7 | H15 | 86.3° | 60.0° |
| C6 | C7 | C8 | H14 | 120.3° | 120.0° |
| C6 | C7 | C8 | H15 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 151.1° | 180.0° |
| C7 | C6 | C5 | H10 | 50.5° | 60.0° |
| C7 | C6 | C5 | H11 | 68.9° | 60.1° |
| C7 | C6 | H12 | H13 | 118.6° | 120.0° |
| C6 | C7 | H14 | H15 | 119.3° | 120.0° |
| C6 | C7 | C8 | H16 | 30.8° | 60.0° |
| C6 | C7 | C8 | H17 | 88.6° | 60.0° |
| O45 | P43 | O44 | O42 | 120.8° | 120.0° |
| O45 | P43 | O42 | C41 | 174.3° | 55.0° |
| O45 | P43 | O44 | H75 | 0.0° | 180.0° |
| O44 | P43 | O42 | C41 | 64.9° | 65.0° |
| P43 | O42 | C41 | C19 | 146.4° | 180.0° |
| P43 | O42 | C41 | H68 | 93.8° | 60.0° |
| P43 | O42 | C41 | H69 | 26.6° | 60.0° |
| O42 | P43 | O44 | H75 | 120.8° | 60.0° |
| O42 | C41 | C19 | H68 | 119.8° | 120.0° |
| O42 | C41 | C19 | H69 | 119.8° | 120.0° |
| O42 | C41 | C19 | C20 | 102.3° | 55.0° |
| O42 | C41 | C19 | O18 | 17.5° | 65.0° |
| O42 | C41 | C19 | H32 | 138.7° | 175.0° |
| O42 | C41 | H68 | H69 | 120.6° | 120.0° |
| C41 | C19 | C20 | O18 | 120.0° | 120.0° |
| C41 | C19 | C20 | H32 | 118.9° | 119.9° |
| C41 | C19 | O18 | H32 | 120.1° | 120.0° |
| C41 | C19 | C20 | O21 | 89.5° | 55.0° |
| C41 | C19 | O18 | C16 | 124.0° | 90.0° |
| C41 | C19 | C20 | H33 | 30.2° | 175.0° |
| C41 | C19 | C20 | H34 | 150.7° | 64.9° |
| C19 | C41 | H68 | H69 | 120.5° | 120.0° |
| C7 | C8 | C9 | H16 | 120.3° | 119.9° |
| C7 | C8 | C9 | H17 | 120.3° | 120.0° |
| C7 | C8 | C9 | C10 | 171.0° | 180.0° |
| C8 | C7 | C6 | H12 | 86.1° | 60.0° |
| C8 | C7 | C6 | H13 | 33.0° | 60.0° |
| C8 | C7 | H14 | H15 | 119.2° | 120.0° |
| C7 | C8 | H16 | H17 | 119.0° | 119.9° |
| C7 | C8 | C9 | H18 | 50.6° | 60.1° |
| C7 | C8 | C9 | H19 | 68.6° | 60.0° |
| C8 | C9 | C10 | H18 | 120.4° | 120.0° |
| C8 | C9 | C10 | H19 | 120.3° | 120.0° |
| C8 | C9 | C10 | C11 | 150.1° | 180.0° |
| C9 | C8 | C7 | H14 | 88.7° | 60.0° |
| C9 | C8 | C7 | H15 | 30.8° | 60.0° |
| C9 | C8 | H16 | H17 | 119.1° | 120.1° |
| C8 | C9 | H18 | H19 | 118.9° | 120.1° |
| C8 | C9 | C10 | H20 | 89.6° | 60.0° |
| C8 | C9 | C10 | H21 | 29.8° | 60.0° |
| C9 | C10 | C11 | H20 | 120.3° | 120.0° |
| C9 | C10 | C11 | H21 | 120.3° | 120.0° |
| C9 | C10 | C11 | C12 | 139.0° | 180.0° |
| C10 | C9 | C8 | H16 | 68.7° | 60.1° |
| C10 | C9 | C8 | H17 | 50.7° | 60.0° |
| C10 | C9 | H18 | H19 | 118.9° | 120.0° |
| C9 | C10 | H20 | H21 | 119.1° | 120.0° |
| C9 | C10 | C11 | H22 | 100.7° | 60.0° |
| C9 | C10 | C11 | H23 | 18.7° | 60.0° |
| C10 | C11 | C12 | C13 | 135.4° | 180.0° |
| C10 | C11 | C12 | H22 | 120.3° | 120.0° |
| C10 | C11 | C12 | H23 | 120.3° | 120.0° |
| C11 | C10 | C9 | H18 | 29.7° | 60.0° |
| C11 | C10 | C9 | H19 | 89.6° | 60.0° |
| C11 | C10 | H20 | H21 | 119.1° | 120.0° |
| C10 | C11 | H22 | H23 | 119.2° | 120.0° |
| C10 | C11 | C12 | H24 | 104.3° | 60.0° |
| C10 | C11 | C12 | H25 | 15.0° | 60.0° |
| C12 | C13 | C14 | H26 | 120.2° | 120.0° |
| C12 | C13 | C14 | H27 | 120.2° | 120.0° |
| C13 | C12 | C11 | H24 | 120.4° | 120.1° |
| C13 | C12 | C11 | H25 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 173.5° | 179.9° |
| C13 | C12 | C11 | H22 | 104.4° | 59.9° |
| C13 | C12 | C11 | H23 | 15.1° | 60.0° |
| C13 | C12 | H24 | H25 | 119.0° | 120.0° |
| C12 | C13 | H26 | H27 | 119.3° | 120.0° |
| C12 | C13 | C14 | H28 | 66.0° | 60.0° |
| C12 | C13 | C14 | H29 | 53.0° | 60.0° |
| C14 | C13 | C12 | C11 | 100.8° | 180.0° |
| C13 | C14 | C15 | H28 | 120.5° | 120.0° |
| C13 | C14 | C15 | H29 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 66.7° | 180.0° |
| C14 | C13 | C12 | H24 | 19.5° | 60.0° |
| C14 | C13 | C12 | H25 | 138.9° | 60.0° |
| C14 | C13 | H26 | H27 | 119.3° | 120.0° |
| C13 | C14 | H28 | H29 | 118.6° | 120.0° |
| C13 | C14 | C15 | H30 | 54.0° | 60.0° |
| C13 | C14 | C15 | H31 | 172.7° | 60.0° |
| C20 | C19 | O18 | H32 | 120.0° | 120.0° |
| C19 | C20 | O21 | H33 | 119.7° | 119.9° |
| C19 | C20 | O21 | H34 | 119.8° | 120.0° |
| C19 | C20 | O21 | C22 | 106.9° | 180.0° |
| C20 | C19 | O18 | C16 | 116.1° | 150.0° |
| C19 | C20 | H33 | H34 | 120.8° | 120.0° |
| C20 | C19 | C41 | H68 | 137.9° | 64.9° |
| C20 | C19 | C41 | H69 | 17.5° | 175.0° |
| O18 | C19 | C20 | O21 | 150.5° | 65.0° |
| C19 | O18 | C16 | C15 | 130.0° | 180.0° |
| C19 | O18 | C16 | O17 | 49.7° | 0.0° |
| O18 | C19 | C20 | H33 | 89.8° | 55.0° |
| O18 | C19 | C20 | H34 | 30.7° | 175.0° |
| O18 | C19 | C41 | H68 | 102.3° | 175.0° |
| O18 | C19 | C41 | H69 | 137.4° | 55.0° |
| C12 | C11 | C10 | H20 | 18.7° | 60.0° |
| C12 | C11 | C10 | H21 | 100.7° | 60.0° |
| C12 | C11 | H22 | H23 | 119.2° | 120.0° |
| C11 | C12 | H24 | H25 | 118.9° | 120.0° |
| C11 | C12 | C13 | H26 | 19.4° | 59.9° |
| C11 | C12 | C13 | H27 | 138.9° | 60.1° |
| C20 | O21 | C22 | C24 | 159.5° | 180.0° |
| C20 | O21 | C22 | O23 | 21.0° | 0.1° |
| O21 | C20 | C19 | H32 | 29.4° | 175.0° |
| O21 | C20 | H33 | H34 | 120.8° | 120.1° |
| O21 | C22 | C24 | O23 | 179.5° | 179.9° |
| O21 | C22 | C24 | C25 | 150.3° | 180.0° |
| C22 | O21 | C20 | H33 | 133.3° | 60.0° |
| C22 | O21 | C20 | H34 | 12.8° | 60.1° |
| O21 | C22 | C24 | H35 | 89.4° | 60.0° |
| O21 | C22 | C24 | H36 | 30.1° | 60.0° |
| C22 | C24 | C25 | H35 | 120.3° | 120.1° |
| C22 | C24 | C25 | H36 | 120.3° | 120.0° |
| C22 | C24 | C25 | C26 | 178.8° | 180.0° |
| C22 | C24 | H35 | H36 | 119.2° | 120.0° |
| C22 | C24 | C25 | H37 | 58.4° | 60.0° |
| C22 | C24 | C25 | H38 | 60.8° | 60.0° |
| C24 | C25 | C26 | H37 | 120.4° | 120.0° |
| C24 | C25 | C26 | H38 | 120.4° | 120.0° |
| C24 | C25 | C26 | C27 | 156.8° | 180.0° |
| C25 | C24 | C22 | O23 | 29.2° | 0.1° |
| C25 | C24 | H35 | H36 | 119.2° | 120.0° |
| C24 | C25 | H37 | H38 | 118.7° | 120.0° |
| C24 | C25 | C26 | H39 | 82.9° | 60.0° |
| C24 | C25 | C26 | H40 | 36.5° | 60.0° |
| C30 | C29 | C28 | H45 | 120.3° | 120.0° |
| C30 | C29 | C28 | H46 | 120.2° | 120.0° |
| C29 | C30 | C31 | H47 | 119.8° | 120.0° |
| C29 | C30 | C31 | H48 | 119.8° | 120.0° |
| C29 | C30 | C31 | C32 | 145.1° | 127.6° |
| C30 | C29 | C28 | C27 | 154.5° | 180.0° |
| C30 | C29 | C28 | H43 | 85.1° | 60.0° |
| C30 | C29 | C28 | H44 | 34.1° | 60.0° |
| C30 | C29 | H45 | H46 | 119.2° | 120.0° |
| C29 | C30 | H47 | H48 | 120.5° | 120.0° |
| C29 | C30 | C31 | H49 | 34.9° | 52.4° |
| C29 | C28 | C27 | C26 | 98.8° | 180.0° |
| C28 | C29 | C30 | C31 | 59.5° | 180.0° |
| C29 | C28 | C27 | H43 | 120.4° | 120.0° |
| C29 | C28 | C27 | H44 | 120.3° | 120.1° |
| C29 | C28 | C27 | H41 | 21.6° | 60.0° |
| C29 | C28 | C27 | H42 | 140.8° | 59.9° |
| C29 | C28 | H43 | H44 | 118.9° | 120.0° |
| C28 | C29 | H45 | H46 | 119.2° | 120.0° |
| C28 | C29 | C30 | H47 | 179.4° | 60.0° |
| C28 | C29 | C30 | H48 | 60.3° | 59.9° |
| C34 | C33 | C32 | H51 | 119.9° | 120.0° |
| C34 | C33 | C32 | H52 | 119.9° | 120.0° |
| C33 | C34 | C35 | H53 | 120.3° | 120.0° |
| C33 | C34 | C35 | H54 | 120.3° | 120.0° |
| C33 | C34 | C35 | C36 | 50.6° | 180.0° |
| C34 | C33 | C32 | C31 | 173.3° | 126.4° |
| C34 | C33 | C32 | H50 | 6.8° | 53.7° |
| C34 | C33 | H51 | H52 | 120.2° | 120.1° |
| C33 | C34 | H53 | H54 | 119.1° | 120.0° |
| C33 | C34 | C35 | H55 | 170.9° | 60.0° |
| C33 | C34 | C35 | H56 | 69.6° | 60.0° |
| C32 | C33 | C34 | C35 | 135.1° | 180.0° |
| C33 | C32 | C31 | C30 | 0.1° | 7.5° |
| C33 | C32 | C31 | H50 | 180.0° | 179.9° |
| C33 | C32 | C31 | H49 | 179.9° | 172.5° |
| C32 | C33 | H51 | H52 | 120.2° | 119.9° |
| C32 | C33 | C34 | H53 | 14.8° | 60.0° |
| C32 | C33 | C34 | H54 | 104.6° | 60.1° |
| C34 | C35 | C36 | H55 | 120.3° | 120.0° |
| C34 | C35 | C36 | H56 | 120.3° | 120.0° |
| C34 | C35 | C36 | C37 | 177.1° | 180.0° |
| C35 | C34 | C33 | H51 | 15.2° | 60.0° |
| C35 | C34 | C33 | H52 | 105.0° | 60.0° |
| C35 | C34 | H53 | H54 | 119.0° | 120.0° |
| C34 | C35 | H55 | H56 | 119.2° | 120.0° |
| C34 | C35 | C36 | H57 | 62.5° | 60.0° |
| C34 | C35 | C36 | H58 | 56.7° | 60.0° |
| C25 | C26 | C27 | H39 | 120.3° | 120.0° |
| C25 | C26 | C27 | H40 | 120.3° | 120.0° |
| C25 | C26 | C27 | C28 | 138.1° | 180.0° |
| C26 | C25 | C24 | H35 | 60.9° | 60.0° |
| C26 | C25 | C24 | H36 | 58.5° | 60.0° |
| C26 | C25 | H37 | H38 | 118.7° | 120.0° |
| C25 | C26 | H39 | H40 | 119.1° | 120.0° |
| C25 | C26 | C27 | H41 | 101.5° | 60.0° |
| C25 | C26 | C27 | H42 | 17.8° | 60.0° |
| C26 | C27 | C28 | H41 | 120.4° | 120.0° |
| C26 | C27 | C28 | H42 | 120.4° | 120.0° |
| C27 | C26 | C25 | H37 | 36.4° | 60.0° |
| C27 | C26 | C25 | H38 | 82.8° | 60.0° |
| C27 | C26 | H39 | H40 | 119.2° | 120.0° |
| C26 | C27 | H41 | H42 | 119.0° | 120.0° |
| C26 | C27 | C28 | H43 | 21.6° | 60.0° |
| C26 | C27 | C28 | H44 | 140.9° | 60.0° |
| C30 | C31 | C32 | H49 | 180.0° | 180.0° |
| C31 | C30 | C29 | H45 | 179.8° | 60.0° |
| C31 | C30 | C29 | H46 | 60.7° | 60.0° |
| C31 | C30 | H47 | H48 | 120.6° | 120.0° |
| C30 | C31 | C32 | H50 | 179.9° | 172.4° |
| O23 | C22 | C24 | H35 | 91.1° | 120.0° |
| O23 | C22 | C24 | H36 | 149.4° | 120.1° |
| C35 | C36 | C37 | H57 | 120.4° | 120.0° |
| C35 | C36 | C37 | H58 | 120.4° | 120.0° |
| C35 | C36 | C37 | C38 | 179.7° | 180.0° |
| C36 | C35 | C34 | H53 | 69.7° | 60.0° |
| C36 | C35 | C34 | H54 | 170.9° | 60.0° |
| C36 | C35 | H55 | H56 | 119.2° | 120.0° |
| C35 | C36 | H57 | H58 | 118.8° | 120.0° |
| C35 | C36 | C37 | H59 | 59.8° | 60.0° |
| C35 | C36 | C37 | H60 | 59.3° | 60.0° |
| O18 | C16 | C15 | C14 | 169.3° | 180.0° |
| O18 | C16 | C15 | O17 | 179.8° | 180.0° |
| O18 | C16 | C15 | H30 | 48.6° | 60.0° |
| O18 | C16 | C15 | H31 | 70.1° | 60.0° |
| C16 | O18 | C19 | H32 | 3.9° | 30.0° |
| C32 | C31 | C30 | H47 | 25.3° | 7.6° |
| C32 | C31 | C30 | H48 | 95.1° | 112.3° |
| C31 | C32 | C33 | H51 | 53.3° | 113.6° |
| C31 | C32 | C33 | H52 | 66.8° | 6.4° |
| C14 | C15 | C16 | H30 | 120.7° | 119.9° |
| C14 | C15 | C16 | H31 | 120.6° | 120.0° |
| C14 | C15 | C16 | O17 | 10.5° | 0.0° |
| C15 | C14 | C13 | H26 | 53.3° | 60.0° |
| C15 | C14 | C13 | H27 | 66.3° | 60.0° |
| C15 | C14 | H28 | H29 | 118.6° | 120.0° |
| C14 | C15 | H30 | H31 | 118.0° | 120.0° |
| C16 | C15 | C14 | H28 | 172.8° | 60.1° |
| C16 | C15 | C14 | H29 | 53.8° | 60.0° |
| C16 | C15 | H30 | H31 | 118.0° | 120.0° |
| O17 | C16 | C15 | H30 | 131.1° | 119.9° |
| O17 | C16 | C15 | H31 | 110.2° | 120.0° |
| C28 | C27 | C26 | H39 | 17.9° | 60.0° |
| C28 | C27 | C26 | H40 | 101.6° | 60.0° |
| C28 | C27 | H41 | H42 | 118.9° | 120.0° |
| C27 | C28 | H43 | H44 | 118.9° | 120.0° |
| C27 | C28 | C29 | H45 | 34.2° | 60.0° |
| C27 | C28 | C29 | H46 | 85.3° | 60.0° |
| C36 | C37 | C38 | H59 | 120.5° | 120.0° |
| C36 | C37 | C38 | H60 | 120.4° | 120.0° |
| C36 | C37 | C38 | C39 | 170.2° | 180.0° |
| C37 | C36 | C35 | H55 | 56.8° | 60.0° |
| C37 | C36 | C35 | H56 | 62.7° | 60.0° |
| C37 | C36 | H57 | H58 | 118.8° | 120.0° |
| C36 | C37 | H59 | H60 | 118.6° | 120.0° |
| C36 | C37 | C38 | H61 | 49.9° | 60.0° |
| C36 | C37 | C38 | H62 | 69.5° | 60.0° |
| C37 | C38 | C39 | H61 | 120.3° | 120.0° |
| C37 | C38 | C39 | H62 | 120.3° | 120.0° |
| C37 | C38 | C39 | C40 | 128.8° | 180.0° |
| C38 | C37 | C36 | H57 | 59.3° | 60.0° |
| C38 | C37 | C36 | H58 | 59.8° | 60.0° |
| C38 | C37 | H59 | H60 | 118.6° | 120.0° |
| C37 | C38 | H61 | H62 | 119.2° | 120.0° |
| C37 | C38 | C39 | H63 | 8.4° | 60.0° |
| C37 | C38 | C39 | H64 | 110.8° | 60.0° |
| C38 | C39 | C40 | H63 | 120.4° | 120.0° |
| C38 | C39 | C40 | H64 | 120.4° | 120.0° |
| C39 | C38 | C37 | H59 | 69.4° | 60.0° |
| C39 | C38 | C37 | H60 | 49.7° | 60.0° |
| C39 | C38 | H61 | H62 | 119.1° | 120.0° |
| C38 | C39 | H63 | H64 | 118.8° | 120.0° |
| C38 | C39 | C40 | H65 | 180.0° | 60.0° |
| C38 | C39 | C40 | H66 | 60.0° | 60.0° |
| C38 | C39 | C40 | H67 | 60.0° | 180.0° |
| C40 | C39 | C38 | H61 | 110.9° | 60.0° |
| C40 | C39 | C38 | H62 | 8.5° | 60.0° |
| C40 | C39 | H63 | H64 | 118.7° | 120.0° |
| C39 | C40 | H65 | H66 | 120.0° | 120.0° |
| C39 | C40 | H65 | H67 | 120.0° | 120.0° |
| C39 | C40 | H66 | H67 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 59.6° | 180.0° |
| H1 | C1 | C2 | H5 | 59.6° | 60.0° |
| H2 | C1 | C2 | H4 | 60.4° | 60.1° |
| H2 | C1 | C2 | H5 | 179.6° | 60.0° |
| H3 | C1 | C2 | H4 | 179.6° | 60.0° |
| H3 | C1 | C2 | H5 | 60.4° | 180.0° |
| H4 | C2 | C3 | H6 | 173.1° | 179.9° |
| H4 | C2 | C3 | H7 | 67.7° | 60.0° |
| H5 | C2 | C3 | H6 | 53.8° | 60.1° |
| H5 | C2 | C3 | H7 | 173.0° | 180.0° |
| H6 | C3 | C4 | H8 | 169.5° | 180.0° |
| H6 | C3 | C4 | H9 | 50.2° | 60.0° |
| H7 | C3 | C4 | H8 | 71.3° | 60.0° |
| H7 | C3 | C4 | H9 | 169.5° | 180.0° |
| H8 | C4 | C5 | H10 | 173.6° | 180.0° |
| H8 | C4 | C5 | H11 | 67.0° | 60.0° |
| H9 | C4 | C5 | H10 | 54.4° | 60.0° |
| H9 | C4 | C5 | H11 | 173.8° | 180.0° |
| H10 | C5 | C6 | H12 | 171.0° | 180.0° |
| H10 | C5 | C6 | H13 | 69.9° | 60.0° |
| H11 | C5 | C6 | H12 | 51.5° | 60.0° |
| H11 | C5 | C6 | H13 | 170.6° | 179.9° |
| H12 | C6 | C7 | H14 | 153.7° | 180.0° |
| H12 | C6 | C7 | H15 | 34.2° | 60.1° |
| H13 | C6 | C7 | H14 | 87.2° | 60.0° |
| H13 | C6 | C7 | H15 | 153.3° | NaN° |
| H14 | C7 | C8 | H16 | 151.0° | 180.0° |
| H14 | C7 | C8 | H17 | 31.6° | 60.1° |
| H15 | C7 | C8 | H16 | 89.5° | 60.0° |
| H15 | C7 | C8 | H17 | 151.1° | 180.0° |
| H16 | C8 | C9 | H18 | 170.9° | 180.0° |
| H16 | C8 | C9 | H19 | 51.7° | 59.9° |
| H17 | C8 | C9 | H18 | 69.7° | 59.9° |
| H17 | C8 | C9 | H19 | 171.1° | 180.0° |
| H18 | C9 | C10 | H20 | 150.0° | 179.9° |
| H18 | C9 | C10 | H21 | 90.6° | 60.0° |
| H19 | C9 | C10 | H20 | 30.7° | 60.0° |
| H19 | C9 | C10 | H21 | 150.2° | 180.0° |
| H20 | C10 | C11 | H22 | 139.0° | 180.0° |
| H20 | C10 | C11 | H23 | 101.6° | 60.0° |
| H21 | C10 | C11 | H22 | 19.5° | 60.1° |
| H21 | C10 | C11 | H23 | 139.0° | 180.0° |
| H22 | C11 | C12 | H24 | 16.0° | 180.0° |
| H22 | C11 | C12 | H25 | 135.3° | 60.0° |
| H23 | C11 | C12 | H24 | 135.4° | 60.0° |
| H23 | C11 | C12 | H25 | 105.3° | 180.0° |
| H24 | C12 | C13 | H26 | 139.8° | 180.0° |
| H24 | C12 | C13 | H27 | 100.7° | 60.0° |
| H25 | C12 | C13 | H26 | 100.9° | 60.0° |
| H25 | C12 | C13 | H27 | 18.6° | 180.0° |
| H26 | C13 | C14 | H28 | 173.7° | 180.0° |
| H26 | C13 | C14 | H29 | 67.2° | 60.0° |
| H27 | C13 | C14 | H28 | 54.2° | 60.0° |
| H27 | C13 | C14 | H29 | 173.3° | 180.0° |
| H28 | C14 | C15 | H30 | 66.5° | 180.0° |
| H28 | C14 | C15 | H31 | 52.2° | 60.0° |
| H29 | C14 | C15 | H30 | 174.4° | 60.0° |
| H29 | C14 | C15 | H31 | 66.8° | 180.0° |
| H32 | C19 | C20 | H33 | 149.1° | 65.0° |
| H32 | C19 | C20 | H34 | 90.4° | 55.0° |
| H32 | C19 | C41 | H68 | 18.9° | 55.0° |
| H32 | C19 | C41 | H69 | 101.4° | 65.1° |
| H35 | C24 | C25 | H37 | 178.6° | 179.9° |
| H35 | C24 | C25 | H38 | 59.5° | 60.0° |
| H36 | C24 | C25 | H37 | 61.9° | 60.0° |
| H36 | C24 | C25 | H38 | 178.9° | 180.0° |
| H37 | C25 | C26 | H39 | 156.7° | 180.0° |
| H37 | C25 | C26 | H40 | 83.9° | 60.0° |
| H38 | C25 | C26 | H39 | 37.5° | 59.9° |
| H38 | C25 | C26 | H40 | 156.9° | 180.0° |
| H39 | C26 | C27 | H41 | 138.2° | 180.0° |
| H39 | C26 | C27 | H42 | 102.5° | 60.0° |
| H40 | C26 | C27 | H41 | 18.8° | 60.0° |
| H40 | C26 | C27 | H42 | 138.1° | 180.0° |
| H41 | C27 | C28 | H43 | 141.9° | 180.0° |
| H41 | C27 | C28 | H44 | 98.8° | 60.0° |
| H42 | C27 | C28 | H43 | 98.8° | 60.0° |
| H42 | C27 | C28 | H44 | 20.5° | 180.0° |
| H43 | C28 | C29 | H45 | 154.6° | 180.0° |
| H43 | C28 | C29 | H46 | 35.1° | 60.0° |
| H44 | C28 | C29 | H45 | 86.1° | 60.0° |
| H44 | C28 | C29 | H46 | 154.4° | 180.0° |
| H45 | C29 | C30 | H47 | 60.4° | 180.0° |
| H45 | C29 | C30 | H48 | 59.9° | 60.0° |
| H46 | C29 | C30 | H47 | 59.1° | 60.0° |
| H46 | C29 | C30 | H48 | 179.4° | 180.0° |
| H47 | C30 | C31 | H49 | 154.7° | 172.4° |
| H48 | C30 | C31 | H49 | 84.9° | 67.6° |
| H49 | C31 | C32 | H50 | 0.1° | 7.6° |
| H50 | C32 | C33 | H51 | 126.7° | 66.3° |
| H50 | C32 | C33 | H52 | 113.2° | 173.7° |
| H51 | C33 | C34 | H53 | 105.1° | 180.0° |
| H51 | C33 | C34 | H54 | 135.5° | 59.9° |
| H52 | C33 | C34 | H53 | 134.7° | 59.9° |
| H52 | C33 | C34 | H54 | 15.3° | 180.0° |
| H53 | C34 | C35 | H55 | 50.6° | 179.9° |
| H53 | C34 | C35 | H56 | 170.1° | 60.0° |
| H54 | C34 | C35 | H55 | 68.8° | 60.0° |
| H54 | C34 | C35 | H56 | 50.7° | 179.9° |
| H55 | C35 | C36 | H57 | 177.2° | 179.9° |
| H55 | C35 | C36 | H58 | 63.6° | 60.1° |
| H56 | C35 | C36 | H57 | 57.7° | 60.0° |
| H56 | C35 | C36 | H58 | 176.9° | 180.0° |
| H57 | C36 | C37 | H59 | 179.8° | 179.9° |
| H57 | C36 | C37 | H60 | 61.1° | 60.0° |
| H58 | C36 | C37 | H59 | 60.6° | 60.1° |
| H58 | C36 | C37 | H60 | 179.7° | 180.0° |
| H59 | C37 | C38 | H61 | 170.3° | 180.0° |
| H59 | C37 | C38 | H62 | 50.9° | 60.0° |
| H60 | C37 | C38 | H61 | 70.6° | 60.1° |
| H60 | C37 | C38 | H62 | 170.0° | 180.0° |
| H61 | C38 | C39 | H63 | 128.7° | 180.0° |
| H61 | C38 | C39 | H64 | 9.5° | 60.1° |
| H62 | C38 | C39 | H63 | 111.9° | 60.1° |
| H62 | C38 | C39 | H64 | 128.9° | 180.0° |
| H63 | C39 | C40 | H65 | 59.6° | 180.0° |
| H63 | C39 | C40 | H66 | 179.6° | 60.0° |
| H63 | C39 | C40 | H67 | 60.4° | 60.0° |
| H64 | C39 | C40 | H65 | 59.6° | 60.1° |
| H64 | C39 | C40 | H66 | 60.4° | 180.0° |
| H64 | C39 | C40 | H67 | 179.6° | 60.0° |
| H65 | C40 | H66 | H67 | 120.0° | 120.0° |
| H70 | C47 | C48 | H72 | 43.5° | 65.0° |
| H71 | C47 | C48 | H72 | 164.0° | 175.0° |
| H72 | C48 | C49 | H73 | 32.0° | 175.0° |
| H72 | C48 | C49 | H74 | 88.3° | 65.0° |
| H72 | C48 | O55 | H78 | 60.3° | 180.0° |
