3ZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | C39 | sing | 1.43Å | 1.43Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C40 | O15 | sing | 1.43Å | 1.43Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C41 | O14 | sing | 1.43Å | 1.42Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| O12 | C38 | sing | 1.43Å | 1.39Å | |
| O12 | C37 | sing | 1.43Å | 1.43Å | |
| C38 | O13 | sing | 1.43Å | 1.41Å | |
| C2 | O2 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O13 | C42 | sing | 1.43Å | 1.44Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C37 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | C16 | sing | 1.34Å | 1.34Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| O1 | C16 | doub | 1.21Å | 1.20Å | |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | doub | 1.34Å | 1.35Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O3 | C14 | sing | 1.43Å | 1.43Å | |
| C5 | C36 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.46Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | doub | 1.36Å | 1.34Å | |
| C17 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| O11 | C34 | doub | 1.21Å | 1.19Å | |
| C7 | C8 | sing | 1.41Å | 1.41Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | O4 | sing | 1.43Å | 1.43Å | |
| O | C8 | doub | 1.21Å | 1.22Å | |
| C34 | C33 | sing | 1.51Å | 1.48Å | |
| C11 | C33 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| O5 | C22 | sing | 1.43Å | 1.44Å | |
| O5 | C18 | sing | 1.43Å | 1.42Å | |
| O4 | C18 | sing | 1.43Å | 1.41Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C35 | sing | 1.53Å | 1.53Å | |
| O6 | C21 | sing | 1.43Å | 1.44Å | |
| O6 | C24 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O10 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | O7 | sing | 1.43Å | 1.43Å | |
| C20 | N | sing | 1.47Å | 1.48Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| O7 | C28 | sing | 1.43Å | 1.44Å | |
| N | C31 | sing | 1.47Å | 1.46Å | |
| N | C32 | sing | 1.47Å | 1.46Å | |
| C26 | O9 | sing | 1.43Å | 1.44Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C27 | O8 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| O8 | H33 | sing | 0.97Å | 0.95Å | |
| O9 | H34 | sing | 0.97Å | 0.95Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| O10 | H49 | sing | 0.97Å | 0.95Å | |
| C17 | H50 | sing | 1.09Å | 1.10Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C | H53 | sing | 1.09Å | 1.10Å | |
| C | H54 | sing | 1.09Å | 1.10Å | |
| C | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C43 | H67 | sing | 1.09Å | 1.10Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| O14 | H70 | sing | 0.97Å | 0.95Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| O15 | H72 | sing | 0.97Å | 0.95Å | |
| C39 | H73 | sing | 1.09Å | 1.10Å | |
| C44 | H74 | sing | 1.09Å | 1.10Å | |
| C44 | H75 | sing | 1.09Å | 1.10Å | |
| C44 | H76 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | O16 | C39 | 115.0° | 114.0° |
| O16 | C44 | H74 | 109.5° | 109.5° |
| O16 | C44 | H75 | 109.4° | 109.5° |
| O16 | C44 | H76 | 109.5° | 109.4° |
| O16 | C39 | C40 | 109.7° | 109.5° |
| O16 | C39 | C38 | 109.4° | 109.6° |
| O16 | C39 | H73 | 108.9° | 109.6° |
| C39 | C40 | O15 | 112.3° | 109.5° |
| C39 | C40 | C41 | 111.2° | 109.1° |
| C40 | C39 | C38 | 113.6° | 109.1° |
| C39 | C40 | H71 | 108.0° | 109.6° |
| C40 | C39 | H73 | 107.5° | 109.5° |
| O15 | C40 | C41 | 108.0° | 109.5° |
| O15 | C40 | H71 | 109.3° | 109.6° |
| C40 | O15 | H72 | 109.5° | 114.0° |
| C40 | C41 | O14 | 108.5° | 109.5° |
| C40 | C41 | C42 | 108.4° | 109.2° |
| C40 | C41 | H69 | 109.3° | 109.6° |
| C41 | C40 | H71 | 108.0° | 109.6° |
| C39 | C38 | O12 | 106.0° | 109.4° |
| C39 | C38 | O13 | 110.8° | 109.4° |
| C39 | C38 | H64 | 108.9° | 109.5° |
| C38 | C39 | H73 | 107.6° | 109.6° |
| C | C1 | C2 | 112.8° | 109.5° |
| C | C1 | H1 | 108.6° | 109.5° |
| C | C1 | H2 | 108.6° | 109.4° |
| C1 | C | H53 | 109.5° | 109.5° |
| C1 | C | H54 | 109.5° | 109.5° |
| C1 | C | H55 | 109.5° | 109.5° |
| O14 | C41 | C42 | 110.4° | 109.5° |
| O14 | C41 | H69 | 110.9° | 109.5° |
| C41 | O14 | H70 | 109.5° | 114.0° |
| C41 | C42 | O13 | 108.5° | 109.4° |
| C41 | C42 | C43 | 113.7° | 109.5° |
| C41 | C42 | H65 | 108.6° | 109.5° |
| C42 | C41 | H69 | 109.4° | 109.5° |
| C1 | C2 | O2 | 106.6° | 109.4° |
| C1 | C2 | C3 | 115.2° | 109.4° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C38 | O12 | C37 | 114.5° | 114.0° |
| O12 | C38 | O13 | 110.0° | 109.5° |
| O12 | C38 | H64 | 110.7° | 109.5° |
| O12 | C37 | C3 | 107.7° | 109.5° |
| O12 | C37 | H62 | 109.9° | 109.5° |
| O12 | C37 | H63 | 109.9° | 109.5° |
| C38 | O13 | C42 | 112.8° | 114.1° |
| O13 | C38 | H64 | 110.3° | 109.5° |
| O2 | C2 | C3 | 105.8° | 109.5° |
| C2 | O2 | C16 | 117.7° | 117.0° |
| O2 | C2 | H3 | 110.3° | 109.5° |
| C2 | C3 | C37 | 115.6° | 109.5° |
| C2 | C3 | C4 | 111.2° | 109.5° |
| C3 | C2 | H3 | 109.3° | 109.5° |
| C2 | C3 | H4 | 106.4° | 109.6° |
| O13 | C42 | C43 | 107.6° | 109.5° |
| O13 | C42 | H65 | 109.7° | 109.5° |
| C43 | C42 | H65 | 108.7° | 109.5° |
| C42 | C43 | H66 | 109.5° | 109.5° |
| C42 | C43 | H67 | 109.5° | 109.5° |
| C42 | C43 | H68 | 109.5° | 109.5° |
| C37 | C3 | C4 | 109.8° | 109.4° |
| C37 | C3 | H4 | 106.6° | 109.4° |
| C3 | C37 | H62 | 109.9° | 109.4° |
| C3 | C37 | H63 | 109.9° | 109.5° |
| O2 | C16 | O1 | 124.2° | 120.0° |
| O2 | C16 | C15 | 110.6° | 120.0° |
| C3 | C4 | C5 | 126.5° | 120.0° |
| C4 | C3 | H4 | 106.7° | 109.5° |
| C3 | C4 | H6 | 116.7° | 120.0° |
| O1 | C16 | C15 | 125.2° | 120.0° |
| C16 | C15 | C14 | 112.8° | 109.5° |
| C16 | C15 | H16 | 108.6° | 109.5° |
| C16 | C15 | H17 | 108.6° | 109.4° |
| C4 | C5 | C36 | 126.0° | 120.1° |
| C4 | C5 | C6 | 115.8° | 120.0° |
| C5 | C4 | H6 | 116.8° | 120.0° |
| C15 | C14 | O3 | 110.2° | 109.5° |
| C15 | C14 | C13 | 113.0° | 109.4° |
| C15 | C14 | H15 | 107.3° | 109.5° |
| C14 | C15 | H16 | 108.6° | 109.5° |
| C14 | C15 | H17 | 108.6° | 109.5° |
| O3 | C14 | C13 | 110.5° | 109.5° |
| C14 | O3 | H5 | 109.5° | 114.0° |
| O3 | C14 | H15 | 108.5° | 109.5° |
| C36 | C5 | C6 | 118.1° | 120.0° |
| C5 | C36 | H59 | 109.5° | 109.5° |
| C5 | C36 | H60 | 109.5° | 109.5° |
| C5 | C36 | H61 | 109.5° | 109.4° |
| C5 | C6 | C7 | 126.9° | 120.0° |
| C5 | C6 | H7 | 116.5° | 120.0° |
| C14 | C13 | C17 | 112.0° | 109.4° |
| C14 | C13 | C12 | 112.7° | 109.5° |
| C14 | C13 | H14 | 106.0° | 109.5° |
| C13 | C14 | H15 | 107.2° | 109.4° |
| C6 | C7 | C8 | 121.7° | 120.0° |
| C7 | C6 | H7 | 116.5° | 120.0° |
| C6 | C7 | H8 | 119.2° | 120.0° |
| C17 | C13 | C12 | 113.7° | 109.4° |
| C17 | C13 | H14 | 105.9° | 109.5° |
| C13 | C17 | H50 | 109.5° | 109.5° |
| C13 | C17 | H51 | 109.5° | 109.5° |
| C13 | C17 | H52 | 109.5° | 109.5° |
| C13 | C12 | C11 | 113.4° | 109.4° |
| C13 | C12 | O4 | 108.1° | 109.5° |
| C13 | C12 | H13 | 108.6° | 109.5° |
| C12 | C13 | H14 | 105.8° | 109.5° |
| O11 | C34 | C33 | 125.5° | 120.0° |
| O11 | C34 | H18 | 117.3° | 120.0° |
| C7 | C8 | O | 122.7° | 120.1° |
| C7 | C8 | C9 | 116.7° | 120.0° |
| C8 | C7 | H8 | 119.1° | 120.0° |
| C11 | C12 | O4 | 107.6° | 109.5° |
| C12 | C11 | C33 | 111.5° | 109.5° |
| C12 | C11 | C10 | 109.7° | 109.5° |
| C12 | C11 | H12 | 108.5° | 109.5° |
| C11 | C12 | H13 | 108.9° | 109.5° |
| C12 | O4 | C18 | 118.9° | 114.0° |
| O4 | C12 | H13 | 110.2° | 109.5° |
| O | C8 | C9 | 120.6° | 120.0° |
| C34 | C33 | C11 | 114.3° | 109.5° |
| C33 | C34 | H18 | 117.2° | 120.0° |
| C34 | C33 | H19 | 108.3° | 109.5° |
| C34 | C33 | H20 | 108.3° | 109.5° |
| C33 | C11 | C10 | 110.5° | 109.5° |
| C33 | C11 | H12 | 108.3° | 109.5° |
| C11 | C33 | H19 | 108.3° | 109.5° |
| C11 | C33 | H20 | 108.2° | 109.5° |
| C11 | C10 | C9 | 115.8° | 109.5° |
| C11 | C10 | H10 | 107.9° | 109.5° |
| C11 | C10 | H11 | 107.9° | 109.5° |
| C10 | C11 | H12 | 108.3° | 109.4° |
| C8 | C9 | C10 | 112.0° | 109.5° |
| C8 | C9 | C35 | 111.1° | 109.5° |
| C8 | C9 | H9 | 107.6° | 109.5° |
| C23 | C22 | O5 | 107.1° | 109.5° |
| C23 | C22 | C21 | 113.4° | 109.5° |
| C23 | C22 | H22 | 108.6° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.4° |
| C22 | C23 | H24 | 109.5° | 109.4° |
| C22 | C23 | H25 | 109.4° | 109.4° |
| C22 | O5 | C18 | 113.3° | 114.1° |
| O5 | C22 | C21 | 109.6° | 109.4° |
| O5 | C22 | H22 | 109.5° | 109.4° |
| O5 | C18 | O4 | 112.7° | 109.5° |
| O5 | C18 | C19 | 110.5° | 109.4° |
| O5 | C18 | H21 | 109.5° | 109.5° |
| O4 | C18 | C19 | 106.2° | 109.5° |
| O4 | C18 | H21 | 109.7° | 109.5° |
| C22 | C21 | O6 | 108.2° | 109.5° |
| C22 | C21 | C20 | 110.3° | 109.2° |
| C21 | C22 | H22 | 108.5° | 109.5° |
| C22 | C21 | H26 | 111.2° | 109.6° |
| C18 | C19 | O10 | 109.3° | 109.5° |
| C18 | C19 | C20 | 108.9° | 109.1° |
| C19 | C18 | H21 | 108.1° | 109.5° |
| C18 | C19 | H48 | 109.0° | 109.6° |
| C10 | C9 | C35 | 111.0° | 109.5° |
| C10 | C9 | H9 | 107.4° | 109.5° |
| C9 | C10 | H10 | 107.9° | 109.5° |
| C9 | C10 | H11 | 107.9° | 109.5° |
| C35 | C9 | H9 | 107.5° | 109.4° |
| C9 | C35 | H56 | 109.5° | 109.5° |
| C9 | C35 | H57 | 109.5° | 109.5° |
| C9 | C35 | H58 | 109.5° | 109.4° |
| C21 | O6 | C24 | 116.5° | 114.0° |
| O6 | C21 | C20 | 103.1° | 109.5° |
| O6 | C21 | H26 | 112.6° | 109.6° |
| O6 | C24 | C25 | 108.7° | 109.5° |
| O6 | C24 | O7 | 114.2° | 109.5° |
| O6 | C24 | H27 | 107.4° | 109.5° |
| C21 | C20 | C19 | 115.2° | 109.0° |
| C21 | C20 | N | 111.3° | 109.6° |
| C20 | C21 | H26 | 111.1° | 109.5° |
| C21 | C20 | H40 | 104.1° | 109.5° |
| O10 | C19 | C20 | 110.1° | 109.5° |
| O10 | C19 | H48 | 110.4° | 109.6° |
| C19 | O10 | H49 | 109.5° | 114.0° |
| C19 | C20 | N | 115.9° | 109.5° |
| C19 | C20 | H40 | 104.1° | 109.6° |
| C20 | C19 | H48 | 109.0° | 109.6° |
| C25 | C24 | O7 | 112.7° | 109.4° |
| C24 | C25 | C26 | 115.2° | 109.2° |
| C25 | C24 | H27 | 106.2° | 109.5° |
| C24 | C25 | H38 | 108.0° | 109.5° |
| C24 | C25 | H39 | 108.0° | 109.5° |
| C24 | O7 | C28 | 117.7° | 114.1° |
| O7 | C24 | H27 | 107.2° | 109.5° |
| C20 | N | C31 | 114.2° | 111.0° |
| C20 | N | C32 | 113.6° | 111.0° |
| N | C20 | H40 | 104.6° | 109.5° |
| C25 | C26 | O9 | 109.6° | 109.5° |
| C25 | C26 | C30 | 111.0° | 109.7° |
| C25 | C26 | C27 | 108.8° | 109.0° |
| C26 | C25 | H38 | 108.0° | 109.5° |
| C26 | C25 | H39 | 108.0° | 109.5° |
| O7 | C28 | C27 | 110.2° | 109.4° |
| O7 | C28 | C29 | 106.9° | 109.5° |
| O7 | C28 | H28 | 109.7° | 109.5° |
| C31 | N | C32 | 109.9° | 111.0° |
| N | C31 | H45 | 109.5° | 109.5° |
| N | C31 | H46 | 109.5° | 109.4° |
| N | C31 | H47 | 109.5° | 109.4° |
| N | C32 | H42 | 109.5° | 109.5° |
| N | C32 | H43 | 109.5° | 109.5° |
| N | C32 | H44 | 109.5° | 109.5° |
| O9 | C26 | C30 | 108.3° | 109.5° |
| O9 | C26 | C27 | 106.2° | 109.5° |
| C26 | O9 | H34 | 109.5° | 114.0° |
| C30 | C26 | C27 | 112.8° | 109.5° |
| C26 | C30 | H35 | 109.5° | 109.5° |
| C26 | C30 | H36 | 109.5° | 109.4° |
| C26 | C30 | H37 | 109.5° | 109.5° |
| C26 | C27 | C28 | 111.1° | 109.2° |
| C26 | C27 | O8 | 110.2° | 109.5° |
| C26 | C27 | H32 | 107.9° | 109.5° |
| C27 | C28 | C29 | 112.7° | 109.5° |
| C28 | C27 | O8 | 109.9° | 109.5° |
| C27 | C28 | H28 | 108.6° | 109.5° |
| C28 | C27 | H32 | 108.1° | 109.5° |
| C29 | C28 | H28 | 108.7° | 109.5° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.4° |
| O8 | C27 | H32 | 109.5° | 109.5° |
| C27 | O8 | H33 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H19 | C33 | H20 | 109.4° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H31 | 109.4° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.4° |
| H35 | C30 | H36 | 109.4° | 109.5° |
| H35 | C30 | H37 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| H42 | C32 | H43 | 109.5° | 109.5° |
| H42 | C32 | H44 | 109.5° | 109.5° |
| H43 | C32 | H44 | 109.4° | 109.4° |
| H45 | C31 | H46 | 109.5° | 109.5° |
| H45 | C31 | H47 | 109.5° | 109.5° |
| H46 | C31 | H47 | 109.5° | 109.5° |
| H50 | C17 | H51 | 109.5° | 109.5° |
| H50 | C17 | H52 | 109.5° | 109.5° |
| H51 | C17 | H52 | 109.5° | 109.4° |
| H53 | C | H54 | 109.4° | 109.4° |
| H53 | C | H55 | 109.5° | 109.5° |
| H54 | C | H55 | 109.4° | 109.5° |
| H56 | C35 | H57 | 109.5° | 109.5° |
| H56 | C35 | H58 | 109.5° | 109.5° |
| H57 | C35 | H58 | 109.5° | 109.4° |
| H59 | C36 | H60 | 109.5° | 109.5° |
| H59 | C36 | H61 | 109.4° | 109.4° |
| H60 | C36 | H61 | 109.5° | 109.5° |
| H62 | C37 | H63 | 109.5° | 109.4° |
| H66 | C43 | H67 | 109.5° | 109.4° |
| H66 | C43 | H68 | 109.5° | 109.5° |
| H67 | C43 | H68 | 109.5° | 109.5° |
| H74 | C44 | H75 | 109.5° | 109.5° |
| H74 | C44 | H76 | 109.5° | 109.4° |
| H75 | C44 | H76 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | O16 | C39 | C40 | 123.1° | 142.3° |
| C44 | O16 | C39 | C38 | 111.6° | 98.0° |
| C44 | O16 | C39 | H73 | 5.7° | 22.2° |
| O16 | C44 | H74 | H75 | 120.0° | 120.1° |
| O16 | C44 | H74 | H76 | 120.0° | 119.9° |
| O16 | C44 | H75 | H76 | 120.0° | 120.0° |
| O16 | C39 | C40 | C38 | 122.8° | 119.9° |
| O16 | C39 | C40 | H73 | 118.2° | 120.2° |
| O16 | C39 | C40 | O15 | 47.4° | 57.1° |
| O16 | C39 | C40 | C41 | 168.5° | 176.9° |
| O16 | C39 | C38 | H73 | 118.1° | 120.2° |
| O16 | C39 | C38 | O12 | 70.2° | 62.5° |
| O16 | C39 | C38 | O13 | 170.4° | 177.5° |
| O16 | C39 | C38 | H64 | 48.9° | 57.5° |
| O16 | C39 | C40 | H71 | 73.2° | 63.1° |
| C39 | O16 | C44 | H74 | 180.0° | 175.3° |
| C39 | O16 | C44 | H75 | 60.0° | 55.2° |
| C39 | O16 | C44 | H76 | 60.0° | 64.8° |
| C39 | C40 | O15 | C41 | 123.0° | 119.5° |
| C39 | C40 | O15 | H71 | 119.8° | 120.2° |
| C39 | C40 | C41 | H71 | 118.3° | 119.9° |
| C40 | C39 | C38 | H73 | 119.0° | 119.9° |
| C39 | C40 | C41 | O14 | 171.9° | 176.9° |
| C39 | C40 | C41 | C42 | 52.1° | 56.9° |
| C40 | C39 | C38 | O12 | 166.8° | 177.6° |
| C40 | C39 | C38 | O13 | 47.5° | 57.6° |
| C40 | C39 | C38 | H64 | 74.1° | 62.4° |
| C39 | C40 | C41 | H69 | 67.1° | 63.0° |
| C39 | C40 | O15 | H72 | 180.0° | 180.0° |
| O15 | C40 | C41 | H71 | 118.1° | 120.2° |
| O15 | C40 | C39 | C38 | 75.4° | 62.9° |
| O15 | C40 | C41 | O14 | 48.3° | 57.1° |
| O15 | C40 | C41 | C42 | 71.5° | 62.9° |
| O15 | C40 | C41 | H69 | 169.3° | 177.2° |
| O15 | C40 | C39 | H73 | 165.6° | 177.2° |
| C41 | C40 | C39 | C38 | 45.7° | 56.9° |
| C40 | C41 | O14 | C42 | 118.6° | 119.7° |
| C40 | C41 | O14 | H69 | 120.1° | 120.2° |
| C40 | C41 | C42 | H69 | 119.1° | 119.9° |
| C40 | C41 | C42 | O13 | 61.9° | 57.6° |
| C40 | C41 | C42 | C43 | 178.5° | 177.6° |
| C40 | C41 | C42 | H65 | 57.3° | 62.4° |
| C40 | C41 | O14 | H70 | 180.0° | 179.7° |
| C41 | C40 | O15 | H72 | 57.1° | 60.4° |
| C41 | C40 | C39 | H73 | 73.3° | 63.0° |
| C39 | C38 | O12 | O13 | 119.9° | 119.9° |
| C39 | C38 | O12 | H64 | 117.9° | 120.0° |
| C39 | C38 | O12 | C37 | 131.7° | 168.5° |
| C39 | C38 | O13 | H64 | 120.7° | 120.0° |
| C39 | C38 | O13 | C42 | 58.7° | 61.2° |
| C38 | C39 | C40 | H71 | 164.1° | 176.9° |
| C | C1 | C2 | H1 | 120.5° | 120.0° |
| C | C1 | C2 | H2 | 120.5° | 120.0° |
| C | C1 | C2 | O2 | 55.3° | 65.0° |
| C | C1 | C2 | C3 | 172.4° | 175.0° |
| C | C1 | H1 | H2 | 118.5° | 120.0° |
| C | C1 | C2 | H3 | 64.1° | 55.0° |
| C1 | C | H53 | H54 | 120.0° | 120.0° |
| C1 | C | H53 | H55 | 120.0° | 120.0° |
| C1 | C | H54 | H55 | 120.0° | 120.0° |
| O14 | C41 | C42 | H69 | 122.2° | 120.1° |
| O14 | C41 | C42 | O13 | 179.5° | 177.5° |
| O14 | C41 | C42 | C43 | 59.8° | 62.5° |
| O14 | C41 | C42 | H65 | 61.3° | 57.6° |
| O14 | C41 | C40 | H71 | 69.7° | 63.2° |
| C41 | C42 | O13 | C38 | 67.2° | 61.2° |
| C41 | C42 | O13 | C43 | 123.4° | 120.0° |
| C41 | C42 | O13 | H65 | 118.5° | 120.0° |
| C41 | C42 | C43 | H65 | 121.1° | 120.1° |
| C41 | C42 | C43 | H66 | 180.0° | 180.0° |
| C41 | C42 | C43 | H67 | 60.0° | 60.1° |
| C41 | C42 | C43 | H68 | 60.0° | 59.9° |
| C42 | C41 | O14 | H70 | 61.4° | 60.0° |
| C42 | C41 | C40 | H71 | 170.4° | 176.9° |
| C1 | C2 | O2 | C3 | 123.1° | 119.9° |
| C1 | C2 | O2 | H3 | 118.8° | 120.0° |
| C1 | C2 | C3 | H3 | 123.7° | 120.0° |
| C1 | C2 | C3 | C37 | 58.1° | 87.4° |
| C1 | C2 | O2 | C16 | 141.5° | 93.2° |
| C1 | C2 | C3 | C4 | 175.9° | 152.6° |
| C2 | C1 | H1 | H2 | 118.5° | 120.1° |
| C1 | C2 | C3 | H4 | 60.0° | 32.6° |
| C2 | C1 | C | H53 | 180.0° | 60.0° |
| C2 | C1 | C | H54 | 60.0° | 60.0° |
| C2 | C1 | C | H55 | 60.0° | 180.0° |
| O12 | C38 | O13 | H64 | 122.4° | 120.0° |
| O12 | C38 | O13 | C42 | 175.6° | 178.9° |
| C38 | O12 | C37 | C3 | 131.3° | 164.2° |
| C38 | O12 | C37 | H62 | 109.0° | 75.8° |
| C38 | O12 | C37 | H63 | 11.6° | 44.2° |
| O12 | C38 | C39 | H73 | 47.9° | 57.7° |
| C37 | O12 | C38 | O13 | 108.4° | 71.6° |
| O12 | C37 | C3 | C2 | 42.0° | 56.9° |
| O12 | C37 | C3 | H62 | 119.7° | 120.0° |
| O12 | C37 | C3 | H63 | 119.7° | 120.0° |
| O12 | C37 | C3 | C4 | 84.8° | 176.9° |
| O12 | C37 | C3 | H4 | 160.1° | 63.1° |
| O12 | C37 | H62 | H63 | 120.8° | 120.0° |
| C37 | O12 | C38 | H64 | 13.8° | 48.5° |
| C38 | O13 | C42 | C43 | 169.4° | 178.8° |
| C38 | O13 | C42 | H65 | 51.3° | 58.8° |
| O13 | C38 | C39 | H73 | 71.5° | 62.2° |
| O2 | C2 | C3 | H3 | 118.8° | 120.1° |
| O2 | C2 | C3 | C37 | 175.6° | 152.7° |
| O2 | C2 | C3 | C4 | 58.3° | 32.7° |
| C2 | O2 | C16 | O1 | 15.1° | 0.1° |
| C2 | O2 | C16 | C15 | 164.0° | 180.0° |
| O2 | C2 | C1 | H1 | 65.2° | 175.0° |
| O2 | C2 | C1 | H2 | 175.8° | 54.9° |
| O2 | C2 | C3 | H4 | 57.5° | 87.4° |
| C2 | C3 | C37 | C4 | 126.8° | 120.0° |
| C2 | C3 | C37 | H4 | 118.1° | 120.1° |
| C3 | C2 | O2 | C16 | 95.4° | 146.9° |
| C2 | C3 | C4 | H4 | 115.7° | 120.1° |
| C2 | C3 | C4 | C5 | 105.8° | 162.3° |
| C3 | C2 | C1 | H1 | 51.9° | 55.0° |
| C3 | C2 | C1 | H2 | 67.2° | 65.0° |
| C2 | C3 | C4 | H6 | 74.2° | 17.6° |
| C2 | C3 | C37 | H62 | 77.8° | 63.1° |
| C2 | C3 | C37 | H63 | 161.7° | 177.0° |
| O13 | C42 | C43 | H65 | 118.7° | 120.0° |
| C42 | O13 | C38 | H64 | 62.0° | 58.8° |
| O13 | C42 | C43 | H66 | 59.8° | 60.0° |
| O13 | C42 | C43 | H67 | 179.8° | 180.0° |
| O13 | C42 | C43 | H68 | 60.2° | 60.0° |
| O13 | C42 | C41 | H69 | 57.3° | 62.3° |
| C42 | C43 | H66 | H67 | 120.0° | 120.0° |
| C42 | C43 | H66 | H68 | 120.0° | 120.0° |
| C42 | C43 | H67 | H68 | 120.0° | 120.0° |
| C43 | C42 | C41 | H69 | 62.4° | 57.6° |
| C37 | C3 | C4 | H4 | 115.1° | 119.9° |
| C37 | C3 | C4 | C5 | 125.0° | 77.7° |
| C37 | C3 | C2 | H3 | 65.6° | 32.6° |
| C37 | C3 | C4 | H6 | 55.0° | 102.4° |
| C3 | C37 | H62 | H63 | 120.8° | 120.0° |
| O2 | C16 | O1 | C15 | 179.0° | 180.0° |
| O2 | C16 | C15 | C14 | 166.4° | 120.0° |
| C16 | O2 | C2 | H3 | 22.7° | 26.9° |
| O2 | C16 | C15 | H16 | 73.1° | 0.0° |
| O2 | C16 | C15 | H17 | 45.9° | 120.0° |
| C3 | C4 | C5 | H6 | 180.0° | 179.9° |
| C3 | C4 | C5 | C36 | 0.6° | 0.0° |
| C3 | C4 | C5 | C6 | 179.8° | 179.9° |
| C4 | C3 | C2 | H3 | 60.5° | 87.4° |
| C4 | C3 | C37 | H62 | 155.5° | 56.9° |
| C4 | C3 | C37 | H63 | 34.9° | 63.0° |
| O1 | C16 | C15 | C14 | 12.7° | 60.0° |
| O1 | C16 | C15 | H16 | 107.8° | 180.0° |
| O1 | C16 | C15 | H17 | 133.2° | 60.0° |
| C16 | C15 | C14 | H16 | 120.5° | 120.0° |
| C16 | C15 | C14 | H17 | 120.5° | 119.9° |
| C16 | C15 | C14 | O3 | 83.0° | 91.2° |
| C16 | C15 | C14 | C13 | 152.9° | 148.8° |
| C16 | C15 | C14 | H15 | 35.0° | 28.8° |
| C16 | C15 | H16 | H17 | 118.5° | 120.0° |
| C4 | C5 | C36 | C6 | 179.6° | 179.9° |
| C4 | C5 | C6 | C7 | 176.9° | 1.7° |
| C5 | C4 | C3 | H4 | 9.9° | 42.2° |
| C4 | C5 | C6 | H7 | 3.0° | 178.2° |
| C4 | C5 | C36 | H59 | 180.0° | 55.0° |
| C4 | C5 | C36 | H60 | 60.0° | 175.0° |
| C4 | C5 | C36 | H61 | 60.0° | 64.9° |
| C15 | C14 | O3 | C13 | 125.6° | 120.0° |
| C15 | C14 | O3 | H15 | 117.3° | 120.0° |
| C15 | C14 | C13 | H15 | 118.0° | 120.0° |
| C15 | C14 | C13 | C17 | 53.7° | 101.6° |
| C15 | C14 | C13 | C12 | 176.6° | 138.5° |
| C15 | C14 | O3 | H5 | 180.0° | 60.0° |
| C15 | C14 | C13 | H14 | 61.3° | 18.4° |
| C14 | C15 | H16 | H17 | 118.5° | 120.0° |
| O3 | C14 | C13 | H15 | 118.0° | 120.0° |
| O3 | C14 | C13 | C17 | 70.3° | 18.4° |
| O3 | C14 | C13 | C12 | 59.4° | 101.5° |
| O3 | C14 | C13 | H14 | 174.7° | 138.4° |
| O3 | C14 | C15 | H16 | 37.5° | 148.8° |
| O3 | C14 | C15 | H17 | 156.5° | 28.7° |
| C36 | C5 | C6 | C7 | 3.4° | 178.2° |
| C36 | C5 | C4 | H6 | 179.4° | 179.9° |
| C36 | C5 | C6 | H7 | 176.6° | 1.9° |
| C5 | C36 | H59 | H60 | 120.0° | 120.1° |
| C5 | C36 | H59 | H61 | 120.0° | 119.9° |
| C5 | C36 | H60 | H61 | 120.0° | 120.0° |
| C5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 167.1° | 179.9° |
| C6 | C5 | C4 | H6 | 0.2° | 0.2° |
| C5 | C6 | C7 | H8 | 12.9° | 0.0° |
| C6 | C5 | C36 | H59 | 0.4° | 125.0° |
| C6 | C5 | C36 | H60 | 120.4° | 4.9° |
| C6 | C5 | C36 | H61 | 119.6° | 115.2° |
| C14 | C13 | C17 | C12 | 129.2° | 120.0° |
| C14 | C13 | C17 | H14 | 115.1° | 120.0° |
| C14 | C13 | C12 | H14 | 115.4° | 120.0° |
| C14 | C13 | C12 | C11 | 83.2° | 95.1° |
| C14 | C13 | C12 | O4 | 157.6° | 145.0° |
| C13 | C14 | O3 | H5 | 54.4° | 180.0° |
| C14 | C13 | C12 | H13 | 38.0° | 24.9° |
| C13 | C14 | C15 | H16 | 86.6° | 28.8° |
| C13 | C14 | C15 | H17 | 32.4° | 91.3° |
| C14 | C13 | C17 | H50 | 180.0° | 56.6° |
| C14 | C13 | C17 | H51 | 60.0° | 63.4° |
| C14 | C13 | C17 | H52 | 60.0° | 176.6° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | O | 21.3° | 0.3° |
| C6 | C7 | C8 | C9 | 157.5° | 179.6° |
| C17 | C13 | C12 | H14 | 115.8° | 120.0° |
| C17 | C13 | C12 | C11 | 148.0° | 145.0° |
| C17 | C13 | C12 | O4 | 28.8° | 25.0° |
| C17 | C13 | C12 | H13 | 90.7° | 95.0° |
| C17 | C13 | C14 | H15 | 171.7° | 138.4° |
| C13 | C17 | H50 | H51 | 120.0° | 120.0° |
| C13 | C17 | H50 | H52 | 120.0° | 120.0° |
| C13 | C17 | H51 | H52 | 120.0° | 120.0° |
| C13 | C12 | C11 | O4 | 119.5° | 120.0° |
| C13 | C12 | C11 | H13 | 121.1° | 120.0° |
| C13 | C12 | O4 | H13 | 118.6° | 120.1° |
| C13 | C12 | C11 | C33 | 167.9° | 9.0° |
| C13 | C12 | C11 | C10 | 69.4° | 129.0° |
| C13 | C12 | O4 | C18 | 112.2° | 143.4° |
| C13 | C12 | C11 | H12 | 48.8° | 111.1° |
| C12 | C13 | C14 | H15 | 58.6° | 18.5° |
| C12 | C13 | C17 | H50 | 50.8° | 63.4° |
| C12 | C13 | C17 | H51 | 69.2° | 176.6° |
| C12 | C13 | C17 | H52 | 170.8° | 56.7° |
| O11 | C34 | C33 | H18 | 180.0° | 179.9° |
| O11 | C34 | C33 | C11 | 53.2° | 126.8° |
| O11 | C34 | C33 | H19 | 67.6° | 6.8° |
| O11 | C34 | C33 | H20 | 173.9° | 113.2° |
| C7 | C8 | O | C9 | 178.8° | 179.9° |
| C7 | C8 | C9 | C10 | 66.9° | 5.0° |
| C7 | C8 | C9 | C35 | 57.8° | 124.9° |
| C8 | C7 | C6 | H7 | 12.9° | 0.2° |
| C7 | C8 | C9 | H9 | 175.2° | 115.1° |
| C11 | C12 | O4 | H13 | 118.6° | 120.0° |
| C12 | C11 | C33 | C34 | 63.8° | 167.4° |
| C12 | C11 | C33 | C10 | 122.2° | 120.0° |
| C12 | C11 | C33 | H12 | 119.3° | 120.0° |
| C12 | C11 | C10 | H12 | 118.2° | 120.0° |
| C11 | C12 | O4 | C18 | 125.0° | 96.6° |
| C12 | C11 | C10 | C9 | 159.4° | 150.9° |
| C12 | C11 | C10 | H10 | 79.7° | 30.9° |
| C12 | C11 | C10 | H11 | 38.5° | 89.1° |
| C11 | C12 | C13 | H14 | 32.2° | 25.0° |
| C12 | C11 | C33 | H19 | 175.4° | 47.4° |
| C12 | C11 | C33 | H20 | 56.9° | 72.7° |
| O4 | C12 | C11 | C33 | 72.6° | 129.0° |
| O4 | C12 | C11 | C10 | 50.1° | 111.0° |
| C12 | O4 | C18 | O5 | 45.6° | 70.5° |
| C12 | O4 | C18 | C19 | 166.6° | 169.5° |
| O4 | C12 | C11 | H12 | 168.3° | 8.9° |
| O4 | C12 | C13 | H14 | 87.0° | 95.0° |
| C12 | O4 | C18 | H21 | 76.8° | 49.5° |
| O | C8 | C9 | C10 | 111.9° | 175.1° |
| O | C8 | C9 | C35 | 123.3° | 55.1° |
| O | C8 | C7 | H8 | 158.7° | 179.7° |
| O | C8 | C9 | H9 | 5.9° | 64.8° |
| C34 | C33 | C11 | H19 | 120.7° | 120.0° |
| C34 | C33 | C11 | H20 | 120.7° | 120.0° |
| C34 | C33 | C11 | C10 | 173.9° | 72.6° |
| C34 | C33 | C11 | H12 | 55.5° | 47.3° |
| C34 | C33 | H19 | H20 | 117.8° | 120.0° |
| C33 | C11 | C10 | H12 | 118.5° | 120.0° |
| C33 | C11 | C10 | C9 | 77.3° | 89.0° |
| C33 | C11 | C10 | H10 | 43.6° | 150.9° |
| C33 | C11 | C10 | H11 | 161.7° | 31.0° |
| C33 | C11 | C12 | H13 | 46.8° | 111.0° |
| C11 | C33 | C34 | H18 | 126.8° | 53.2° |
| C11 | C33 | H19 | H20 | 117.8° | 120.0° |
| C11 | C10 | C9 | C8 | 50.4° | 97.6° |
| C11 | C10 | C9 | H10 | 120.9° | 120.1° |
| C11 | C10 | C9 | H11 | 120.9° | 120.0° |
| C11 | C10 | C9 | C35 | 175.1° | 22.4° |
| C11 | C10 | C9 | H9 | 67.6° | 142.4° |
| C11 | C10 | H10 | H11 | 117.1° | 120.0° |
| C10 | C11 | C12 | H13 | 169.5° | 9.0° |
| C10 | C11 | C33 | H19 | 53.2° | 167.4° |
| C10 | C11 | C33 | H20 | 65.3° | 47.4° |
| C8 | C9 | C10 | C35 | 124.8° | 120.0° |
| C8 | C9 | C10 | H9 | 117.9° | 120.0° |
| C8 | C9 | C35 | H9 | 117.5° | 120.0° |
| C9 | C8 | C7 | H8 | 22.4° | 0.3° |
| C8 | C9 | C10 | H10 | 171.3° | 142.3° |
| C8 | C9 | C10 | H11 | 70.5° | 22.4° |
| C8 | C9 | C35 | H56 | 180.0° | 66.8° |
| C8 | C9 | C35 | H57 | 60.0° | 173.2° |
| C8 | C9 | C35 | H58 | 60.0° | 53.2° |
| C23 | C22 | O5 | C21 | 123.5° | 120.0° |
| C23 | C22 | O5 | H22 | 117.6° | 120.1° |
| C23 | C22 | O5 | C18 | 173.3° | 178.9° |
| C23 | C22 | C21 | H22 | 120.8° | 120.1° |
| C23 | C22 | C21 | O6 | 76.8° | 62.5° |
| C23 | C22 | C21 | C20 | 171.0° | 177.6° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C22 | C23 | H23 | H25 | 120.0° | 119.9° |
| C22 | C23 | H24 | H25 | 119.9° | 119.9° |
| C23 | C22 | C21 | H26 | 47.3° | 57.7° |
| C22 | O5 | C18 | O4 | 176.3° | 178.8° |
| O5 | C22 | C21 | H22 | 119.6° | 119.9° |
| C22 | O5 | C18 | C19 | 65.1° | 61.2° |
| O5 | C22 | C21 | O6 | 163.5° | 177.5° |
| O5 | C22 | C21 | C20 | 51.4° | 57.6° |
| C22 | O5 | C18 | H21 | 53.9° | 58.9° |
| O5 | C22 | C23 | H23 | 180.0° | 51.1° |
| O5 | C22 | C23 | H24 | 60.0° | 171.1° |
| O5 | C22 | C23 | H25 | 60.0° | 68.9° |
| O5 | C22 | C21 | H26 | 72.4° | 62.3° |
| O5 | C18 | O4 | C19 | 121.1° | 120.0° |
| O5 | C18 | O4 | H21 | 122.3° | 120.0° |
| C18 | O5 | C22 | C21 | 63.2° | 61.1° |
| O5 | C18 | C19 | H21 | 119.9° | 120.0° |
| O5 | C18 | C19 | O10 | 174.5° | 177.5° |
| O5 | C18 | C19 | C20 | 54.2° | 57.6° |
| C18 | O5 | C22 | H22 | 55.7° | 58.8° |
| O5 | C18 | C19 | H48 | 64.7° | 62.3° |
| O4 | C18 | C19 | H21 | 117.6° | 120.0° |
| O4 | C18 | C19 | O10 | 63.0° | 62.5° |
| O4 | C18 | C19 | C20 | 176.7° | 177.6° |
| C18 | O4 | C12 | H13 | 6.4° | 23.4° |
| O4 | C18 | C19 | H48 | 57.8° | 57.7° |
| C22 | C21 | O6 | C20 | 116.8° | 119.7° |
| C22 | C21 | O6 | H26 | 123.3° | 120.2° |
| C22 | C21 | O6 | C24 | 93.9° | 123.5° |
| C22 | C21 | C20 | H26 | 123.8° | 120.0° |
| C22 | C21 | C20 | C19 | 46.6° | 57.0° |
| C22 | C21 | C20 | N | 178.9° | 176.9° |
| C21 | C22 | C23 | H23 | 58.9° | 171.1° |
| C21 | C22 | C23 | H24 | 61.1° | 68.9° |
| C21 | C22 | C23 | H25 | 178.9° | 51.1° |
| C22 | C21 | C20 | H40 | 66.8° | 63.0° |
| C18 | C19 | C20 | C21 | 47.2° | 57.0° |
| C18 | C19 | O10 | C20 | 119.6° | 119.6° |
| C18 | C19 | O10 | H48 | 120.0° | 120.2° |
| C18 | C19 | C20 | H48 | 118.9° | 119.9° |
| C18 | C19 | C20 | N | 179.6° | 176.9° |
| C18 | C19 | C20 | H40 | 66.1° | 62.9° |
| C18 | C19 | O10 | H49 | 180.0° | 60.0° |
| C10 | C9 | C35 | H9 | 117.2° | 120.0° |
| C9 | C10 | H10 | H11 | 117.2° | 119.9° |
| C9 | C10 | C11 | H12 | 41.2° | 30.9° |
| C10 | C9 | C35 | H56 | 54.7° | 173.2° |
| C10 | C9 | C35 | H57 | 65.3° | 53.2° |
| C10 | C9 | C35 | H58 | 174.7° | 66.8° |
| C35 | C9 | C10 | H10 | 64.0° | 97.7° |
| C35 | C9 | C10 | H11 | 54.2° | 142.4° |
| C9 | C35 | H56 | H57 | 120.0° | 120.0° |
| C9 | C35 | H56 | H58 | 120.0° | 120.0° |
| C9 | C35 | H57 | H58 | 120.0° | 120.0° |
| O6 | C21 | C20 | H26 | 120.9° | 120.1° |
| O6 | C21 | C20 | C19 | 161.9° | 176.9° |
| C21 | O6 | C24 | C25 | 151.3° | 163.2° |
| C21 | O6 | C24 | O7 | 24.5° | 76.8° |
| O6 | C21 | C20 | N | 63.5° | 63.2° |
| O6 | C21 | C22 | H22 | 43.9° | 57.6° |
| C21 | O6 | C24 | H27 | 94.2° | 43.2° |
| O6 | C21 | C20 | H40 | 48.6° | 56.9° |
| C24 | O6 | C21 | C20 | 149.3° | 116.8° |
| O6 | C24 | C25 | O7 | 127.6° | 119.9° |
| O6 | C24 | C25 | H27 | 115.3° | 120.0° |
| O6 | C24 | O7 | H27 | 118.9° | 120.0° |
| O6 | C24 | C25 | C26 | 84.0° | 62.4° |
| O6 | C24 | O7 | C28 | 77.5° | 58.8° |
| C24 | O6 | C21 | H26 | 29.4° | 3.3° |
| O6 | C24 | C25 | H38 | 155.2° | 177.7° |
| O6 | C24 | C25 | H39 | 36.8° | 57.6° |
| C21 | C20 | C19 | O10 | 167.0° | 176.9° |
| C21 | C20 | C19 | N | 132.4° | 119.9° |
| C21 | C20 | C19 | H40 | 113.3° | 119.9° |
| C21 | C20 | N | H40 | 111.8° | 120.2° |
| C21 | C20 | N | C31 | 145.3° | 72.9° |
| C21 | C20 | N | C32 | 87.5° | 163.1° |
| C20 | C21 | C22 | H22 | 68.2° | 62.3° |
| C21 | C20 | C19 | H48 | 71.7° | 62.9° |
| O10 | C19 | C20 | H48 | 121.3° | 120.2° |
| O10 | C19 | C20 | N | 60.6° | 63.2° |
| O10 | C19 | C18 | H21 | 54.6° | 57.5° |
| O10 | C19 | C20 | H40 | 53.7° | 57.0° |
| C19 | C20 | N | H40 | 114.0° | 120.3° |
| C19 | C20 | N | C31 | 80.4° | 46.6° |
| C19 | C20 | N | C32 | 46.7° | 77.4° |
| C20 | C19 | C18 | H21 | 65.7° | 62.4° |
| C19 | C20 | C21 | H26 | 77.2° | 63.0° |
| C20 | C19 | O10 | H49 | 60.4° | 179.7° |
| C25 | C24 | O7 | H27 | 116.5° | 120.1° |
| C24 | C25 | C26 | H38 | 120.8° | 119.9° |
| C24 | C25 | C26 | H39 | 120.8° | 120.0° |
| C25 | C24 | O7 | C28 | 47.1° | 61.1° |
| C24 | C25 | C26 | O9 | 67.8° | 62.9° |
| C24 | C25 | C26 | C30 | 172.7° | 176.9° |
| C24 | C25 | C26 | C27 | 48.0° | 56.9° |
| C24 | C25 | H38 | H39 | 117.4° | 120.1° |
| O7 | C24 | C25 | C26 | 43.6° | 57.5° |
| C24 | O7 | C28 | C27 | 54.5° | 61.2° |
| C24 | O7 | C28 | C29 | 177.3° | 178.9° |
| C24 | O7 | C28 | H28 | 65.0° | 58.8° |
| O7 | C24 | C25 | H38 | 77.3° | 62.3° |
| O7 | C24 | C25 | H39 | 164.4° | 177.5° |
| C20 | N | C31 | C32 | 129.1° | 124.0° |
| N | C20 | C21 | H26 | 57.4° | 56.9° |
| C20 | N | C32 | H42 | 180.0° | 57.9° |
| C20 | N | C32 | H43 | 60.0° | 177.9° |
| C20 | N | C32 | H44 | 60.0° | 62.1° |
| C20 | N | C31 | H45 | 180.0° | 61.9° |
| C20 | N | C31 | H46 | 60.0° | 178.1° |
| C20 | N | C31 | H47 | 60.0° | 58.1° |
| N | C20 | C19 | H48 | 60.7° | 56.9° |
| C25 | C26 | O9 | C30 | 121.2° | 120.3° |
| C25 | C26 | O9 | C27 | 117.3° | 119.5° |
| C25 | C26 | C30 | C27 | 122.4° | 119.6° |
| C25 | C26 | C27 | C28 | 54.4° | 56.9° |
| C25 | C26 | C27 | O8 | 176.5° | 176.8° |
| C26 | C25 | C24 | H27 | 160.7° | 177.6° |
| C25 | C26 | C27 | H32 | 63.9° | 63.0° |
| C25 | C26 | O9 | H34 | 180.0° | 60.4° |
| C25 | C26 | C30 | H35 | 180.0° | 179.8° |
| C25 | C26 | C30 | H36 | 60.0° | 59.7° |
| C25 | C26 | C30 | H37 | 60.0° | 60.2° |
| C26 | C25 | H38 | H39 | 117.4° | 120.1° |
| O7 | C28 | C27 | C26 | 57.5° | 57.6° |
| O7 | C28 | C27 | C29 | 119.3° | 119.9° |
| O7 | C28 | C27 | H28 | 120.2° | 120.0° |
| O7 | C28 | C29 | H28 | 118.3° | 120.1° |
| O7 | C28 | C27 | O8 | 179.8° | 177.5° |
| C28 | O7 | C24 | H27 | 163.7° | 178.8° |
| O7 | C28 | C29 | H29 | 180.0° | 60.0° |
| O7 | C28 | C29 | H30 | 60.0° | 180.0° |
| O7 | C28 | C29 | H31 | 60.0° | 60.1° |
| O7 | C28 | C27 | H32 | 60.8° | 62.3° |
| C31 | N | C20 | H40 | 33.5° | 166.9° |
| C31 | N | C32 | H42 | 50.6° | 66.0° |
| C31 | N | C32 | H43 | 69.4° | 53.9° |
| C31 | N | C32 | H44 | 170.7° | 173.9° |
| N | C31 | H45 | H46 | 120.0° | 120.0° |
| N | C31 | H45 | H47 | 120.0° | 120.0° |
| N | C31 | H46 | H47 | 120.0° | 119.9° |
| C32 | N | C20 | H40 | 160.7° | 42.9° |
| N | C32 | H42 | H43 | 120.0° | 120.0° |
| N | C32 | H42 | H44 | 120.0° | 120.1° |
| N | C32 | H43 | H44 | 120.0° | 120.0° |
| C32 | N | C31 | H45 | 50.9° | 174.1° |
| C32 | N | C31 | H46 | 170.9° | 54.1° |
| C32 | N | C31 | H47 | 69.1° | 65.9° |
| O9 | C26 | C30 | C27 | 117.3° | 120.1° |
| O9 | C26 | C27 | C28 | 63.4° | 62.9° |
| O9 | C26 | C27 | O8 | 58.7° | 57.0° |
| O9 | C26 | C27 | H32 | 178.2° | 177.2° |
| O9 | C26 | C30 | H35 | 59.7° | 60.0° |
| O9 | C26 | C30 | H36 | 179.7° | 180.0° |
| O9 | C26 | C30 | H37 | 60.3° | 60.1° |
| O9 | C26 | C25 | H38 | 171.4° | 177.2° |
| O9 | C26 | C25 | H39 | 53.1° | 57.1° |
| C30 | C26 | C27 | C28 | 178.1° | 177.0° |
| C30 | C26 | C27 | O8 | 59.8° | 63.1° |
| C30 | C26 | C27 | H32 | 59.7° | 57.0° |
| C30 | C26 | O9 | H34 | 58.8° | 60.0° |
| C26 | C30 | H35 | H36 | 120.0° | 120.0° |
| C26 | C30 | H35 | H37 | 120.0° | 120.0° |
| C26 | C30 | H36 | H37 | 120.0° | 120.0° |
| C30 | C26 | C25 | H38 | 51.8° | 56.9° |
| C30 | C26 | C25 | H39 | 66.5° | 63.1° |
| C26 | C27 | C28 | O8 | 122.3° | 119.9° |
| C26 | C27 | C28 | H32 | 118.3° | 119.9° |
| C26 | C27 | C28 | C29 | 176.8° | 177.5° |
| C26 | C27 | O8 | H32 | 118.6° | 120.1° |
| C26 | C27 | C28 | H28 | 62.7° | 62.4° |
| C26 | C27 | O8 | H33 | 180.0° | 179.7° |
| C27 | C26 | O9 | H34 | 62.7° | 179.9° |
| C27 | C26 | C30 | H35 | 57.6° | 60.2° |
| C27 | C26 | C30 | H36 | 62.4° | 59.9° |
| C27 | C26 | C30 | H37 | 177.7° | 179.8° |
| C27 | C26 | C25 | H38 | 72.9° | 63.0° |
| C27 | C26 | C25 | H39 | 168.8° | 176.9° |
| C27 | C28 | C29 | H28 | 120.5° | 120.0° |
| C28 | C27 | O8 | H32 | 118.6° | 120.2° |
| C27 | C28 | C29 | H29 | 58.8° | 59.9° |
| C27 | C28 | C29 | H30 | 178.8° | 60.1° |
| C27 | C28 | C29 | H31 | 61.2° | 180.0° |
| C28 | C27 | O8 | H33 | 57.2° | 60.0° |
| C29 | C28 | C27 | O8 | 61.0° | 62.5° |
| C28 | C29 | H29 | H30 | 120.0° | 120.0° |
| C28 | C29 | H29 | H31 | 120.0° | 120.0° |
| C28 | C29 | H30 | H31 | 120.0° | 119.9° |
| C29 | C28 | C27 | H32 | 58.5° | 57.6° |
| O8 | C27 | C28 | H28 | 59.6° | 57.5° |
| H1 | C1 | C2 | H3 | 175.4° | 65.0° |
| H1 | C1 | C | H53 | 59.5° | 180.0° |
| H1 | C1 | C | H54 | 60.5° | 60.0° |
| H1 | C1 | C | H55 | 179.5° | 60.0° |
| H2 | C1 | C2 | H3 | 56.4° | 175.0° |
| H2 | C1 | C | H53 | 59.6° | 60.0° |
| H2 | C1 | C | H54 | 179.5° | 180.0° |
| H2 | C1 | C | H55 | 60.5° | 60.0° |
| H3 | C2 | C3 | H4 | 176.3° | 152.6° |
| H4 | C3 | C4 | H6 | 170.1° | 137.7° |
| H4 | C3 | C37 | H62 | 40.3° | 176.8° |
| H4 | C3 | C37 | H63 | 80.2° | 56.9° |
| H5 | O3 | C14 | H15 | 62.8° | 60.0° |
| H7 | C6 | C7 | H8 | 167.2° | 179.9° |
| H9 | C9 | C10 | H10 | 53.3° | 22.3° |
| H9 | C9 | C10 | H11 | 171.5° | 97.6° |
| H9 | C9 | C35 | H56 | 62.5° | 53.2° |
| H9 | C9 | C35 | H57 | 177.5° | 66.9° |
| H9 | C9 | C35 | H58 | 57.5° | 173.2° |
| H10 | C10 | C11 | H12 | 162.1° | 89.1° |
| H11 | C10 | C11 | H12 | 79.8° | 151.0° |
| H12 | C11 | C12 | H13 | 72.3° | 128.9° |
| H12 | C11 | C33 | H19 | 65.3° | 72.6° |
| H12 | C11 | C33 | H20 | 176.2° | 167.3° |
| H13 | C12 | C13 | H14 | 153.4° | 145.0° |
| H14 | C13 | C14 | H15 | 56.7° | 101.5° |
| H14 | C13 | C17 | H50 | 64.9° | 176.6° |
| H14 | C13 | C17 | H51 | 175.0° | 56.6° |
| H14 | C13 | C17 | H52 | 55.1° | 63.4° |
| H15 | C14 | C15 | H16 | 155.5° | 91.2° |
| H15 | C14 | C15 | H17 | 85.5° | 148.8° |
| H18 | C34 | C33 | H19 | 112.4° | 173.2° |
| H18 | C34 | C33 | H20 | 6.1° | 66.7° |
| H21 | C18 | C19 | H48 | 175.5° | 177.7° |
| H22 | C22 | C23 | H23 | 61.8° | 68.9° |
| H22 | C22 | C23 | H24 | 178.2° | 51.1° |
| H22 | C22 | C23 | H25 | 58.2° | 171.1° |
| H22 | C22 | C21 | H26 | 168.1° | 177.8° |
| H23 | C23 | H24 | H25 | 120.0° | 120.1° |
| H26 | C21 | C20 | H40 | 169.5° | 177.1° |
| H27 | C24 | C25 | H38 | 39.9° | 57.7° |
| H27 | C24 | C25 | H39 | 78.5° | 62.4° |
| H28 | C28 | C29 | H29 | 61.7° | 179.9° |
| H28 | C28 | C29 | H30 | 58.3° | 59.9° |
| H28 | C28 | C29 | H31 | 178.4° | 60.0° |
| H28 | C28 | C27 | H32 | 179.0° | 177.7° |
| H29 | C29 | H30 | H31 | 120.0° | 120.0° |
| H32 | C27 | O8 | H33 | 61.4° | 60.1° |
| H35 | C30 | H36 | H37 | 120.0° | 120.0° |
| H40 | C20 | C19 | H48 | 175.0° | 177.2° |
| H42 | C32 | H43 | H44 | 120.0° | 120.0° |
| H45 | C31 | H46 | H47 | 120.0° | 120.1° |
| H48 | C19 | O10 | H49 | 60.0° | 60.2° |
| H50 | C17 | H51 | H52 | 120.0° | 120.0° |
| H53 | C | H54 | H55 | 120.0° | 120.0° |
| H56 | C35 | H57 | H58 | 120.0° | 120.0° |
| H59 | C36 | H60 | H61 | 120.0° | 120.0° |
| H64 | C38 | C39 | H73 | 167.0° | 177.7° |
| H65 | C42 | C43 | H66 | 58.9° | 60.0° |
| H65 | C42 | C43 | H67 | 61.1° | 60.0° |
| H65 | C42 | C43 | H68 | 178.9° | NaN° |
| H65 | C42 | C41 | H69 | 176.5° | 177.7° |
| H66 | C43 | H67 | H68 | 120.0° | 120.0° |
| H69 | C41 | O14 | H70 | 59.9° | 60.1° |
| H69 | C41 | C40 | H71 | 51.3° | 57.0° |
| H71 | C40 | O15 | H72 | 60.2° | 59.8° |
| H71 | C40 | C39 | H73 | 45.1° | 57.0° |
| H74 | C44 | H75 | H76 | 120.0° | 119.9° |
