VSR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C45 | sing | 1.53Å | 1.51Å | |
| C45 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C43 | sing | 1.53Å | 1.51Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.51Å | 1.50Å | |
| C42 | C41 | sing | 1.53Å | 1.51Å | |
| C34 | C36 | doub | 1.33Å | 1.36Å | |
| C34 | C33 | sing | 1.47Å | 1.49Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| O9 | C33 | doub | 1.22Å | 1.21Å | |
| C33 | O8 | sing | 1.35Å | 1.34Å | |
| C40 | C39 | sing | 1.51Å | 1.50Å | |
| O11 | C39 | doub | 1.21Å | 1.20Å | |
| C39 | O10 | sing | 1.34Å | 1.34Å | |
| O8 | C32 | sing | 1.45Å | 1.44Å | |
| O10 | C38 | sing | 1.45Å | 1.44Å | |
| C32 | C38 | sing | 1.55Å | 1.53Å | |
| C32 | C30 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C47 | sing | 1.52Å | 1.54Å | |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | O | sing | 1.34Å | 1.36Å | |
| C2 | O1 | doub | 1.21Å | 1.20Å | |
| O | C1 | sing | 1.45Å | 1.48Å | |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C30 | C29 | doub | 1.30Å | 1.34Å | |
| C23 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C18 | N1 | sing | 1.37Å | 1.43Å | |
| C47 | C1 | sing | 1.47Å | 1.55Å | |
| C47 | C29 | sing | 1.51Å | 1.52Å | |
| C1 | C4 | sing | 1.53Å | 1.54Å | |
| C29 | C25 | sing | 1.51Å | 1.52Å | |
| N1 | N | doub | 1.29Å | 1.25Å | |
| N | C15 | sing | 1.37Å | 1.43Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | O5 | sing | 1.45Å | 1.46Å | |
| C25 | C24 | sing | 1.51Å | 1.55Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O5 | C26 | sing | 1.33Å | 1.35Å | |
| O2 | C5 | sing | 1.45Å | 1.46Å | |
| O2 | C6 | sing | 1.34Å | 1.34Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C24 | sing | 1.50Å | 1.54Å | |
| C24 | O4 | sing | 1.43Å | 1.43Å | |
| C24 | C27 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | O3 | doub | 1.21Å | 1.20Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.52Å | 1.52Å | |
| C26 | O7 | doub | 1.21Å | 1.20Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C27 | O6 | sing | 1.43Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | H7 | sing | 0.97Å | 0.95Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C41 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C42 | H46 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| C43 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C44 | H51 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C46 | H54 | sing | 1.09Å | 1.10Å | |
| C46 | H55 | sing | 1.09Å | 1.10Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C47 | H57 | sing | 1.09Å | 1.10Å | |
| C7 | H58 | sing | 1.09Å | 1.10Å | |
| C7 | H59 | sing | 1.09Å | 1.10Å | |
| C8 | H60 | sing | 1.09Å | 1.10Å | |
| C8 | H61 | sing | 1.09Å | 1.10Å | |
| C9 | H62 | sing | 1.09Å | 1.10Å | |
| C9 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | C45 | C44 | 113.3° | 109.5° |
| C46 | C45 | H52 | 108.5° | 109.4° |
| C46 | C45 | H53 | 108.5° | 109.5° |
| C45 | C46 | H54 | 109.5° | 109.5° |
| C45 | C46 | H55 | 109.4° | 109.5° |
| C45 | C46 | H56 | 109.5° | 109.5° |
| C45 | C44 | C43 | 112.3° | 109.4° |
| C45 | C44 | H50 | 108.8° | 109.4° |
| C45 | C44 | H51 | 108.7° | 109.4° |
| C44 | C45 | H52 | 108.5° | 109.5° |
| C44 | C45 | H53 | 108.5° | 109.5° |
| C44 | C43 | C42 | 114.5° | 109.4° |
| C44 | C43 | H48 | 108.2° | 109.5° |
| C44 | C43 | H49 | 108.2° | 109.4° |
| C43 | C44 | H50 | 108.8° | 109.5° |
| C43 | C44 | H51 | 108.8° | 109.5° |
| C43 | C42 | C41 | 112.8° | 109.4° |
| C43 | C42 | H46 | 108.6° | 109.5° |
| C43 | C42 | H47 | 108.6° | 109.5° |
| C42 | C43 | H48 | 108.2° | 109.5° |
| C42 | C43 | H49 | 108.2° | 109.4° |
| C35 | C34 | C36 | 122.0° | 120.0° |
| C35 | C34 | C33 | 114.0° | 120.0° |
| C34 | C35 | H34 | 109.5° | 109.5° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H36 | 109.5° | 109.5° |
| C42 | C41 | C40 | 114.1° | 109.4° |
| C42 | C41 | H44 | 108.3° | 109.5° |
| C42 | C41 | H45 | 108.3° | 109.4° |
| C41 | C42 | H46 | 108.6° | 109.5° |
| C41 | C42 | H47 | 108.6° | 109.4° |
| C36 | C34 | C33 | 124.1° | 120.0° |
| C34 | C36 | C37 | 132.7° | 120.0° |
| C34 | C36 | H37 | 113.6° | 120.0° |
| C34 | C33 | O9 | 125.1° | 120.0° |
| C34 | C33 | O8 | 111.7° | 120.0° |
| C37 | C36 | H37 | 113.7° | 120.0° |
| C36 | C37 | H38 | 109.5° | 109.5° |
| C36 | C37 | H39 | 109.5° | 109.5° |
| C36 | C37 | H40 | 109.4° | 109.5° |
| C41 | C40 | C39 | 110.5° | 109.4° |
| C41 | C40 | H42 | 109.2° | 109.4° |
| C41 | C40 | H43 | 109.2° | 109.5° |
| C40 | C41 | H44 | 108.3° | 109.5° |
| C40 | C41 | H45 | 108.3° | 109.5° |
| O9 | C33 | O8 | 123.1° | 120.0° |
| C33 | O8 | C32 | 116.0° | 117.0° |
| C40 | C39 | O11 | 124.4° | 120.0° |
| C40 | C39 | O10 | 112.0° | 120.0° |
| C39 | C40 | H42 | 109.2° | 109.5° |
| C39 | C40 | H43 | 109.2° | 109.5° |
| O11 | C39 | O10 | 123.6° | 120.0° |
| C39 | O10 | C38 | 116.3° | 117.1° |
| O8 | C32 | C38 | 109.6° | 110.1° |
| O8 | C32 | C30 | 116.4° | 110.1° |
| O8 | C32 | H33 | 108.9° | 110.2° |
| O10 | C38 | C32 | 109.3° | 110.8° |
| O10 | C38 | C47 | 119.1° | 110.8° |
| O10 | C38 | H41 | 107.8° | 110.8° |
| C38 | C32 | C30 | 105.7° | 106.2° |
| C32 | C38 | C47 | 106.7° | 102.7° |
| C38 | C32 | H33 | 107.8° | 110.0° |
| C32 | C38 | H41 | 106.8° | 110.8° |
| C32 | C30 | C31 | 120.3° | 123.9° |
| C32 | C30 | C29 | 110.8° | 112.1° |
| C30 | C32 | H33 | 108.1° | 110.2° |
| C3 | C2 | O | 110.0° | 120.0° |
| C3 | C2 | O1 | 125.4° | 120.0° |
| C2 | C3 | H1 | 109.5° | 109.5° |
| C2 | C3 | H2 | 109.5° | 109.4° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C20 | C21 | C22 | 119.9° | 120.3° |
| C21 | C20 | C19 | 120.4° | 120.1° |
| C21 | C20 | H22 | 119.8° | 119.9° |
| C20 | C21 | H23 | 120.0° | 119.9° |
| C21 | C22 | C23 | 120.4° | 120.2° |
| C22 | C21 | H23 | 120.1° | 119.8° |
| C21 | C22 | H24 | 119.8° | 119.9° |
| C38 | C47 | C1 | 110.4° | 119.0° |
| C38 | C47 | C29 | 103.6° | 107.7° |
| C47 | C38 | H41 | 106.6° | 110.7° |
| C38 | C47 | H57 | 109.1° | 103.3° |
| C20 | C19 | C18 | 120.0° | 119.9° |
| C20 | C19 | H21 | 120.0° | 120.0° |
| C19 | C20 | H22 | 119.8° | 120.0° |
| C22 | C23 | C18 | 120.1° | 119.8° |
| C23 | C22 | H24 | 119.8° | 119.9° |
| C22 | C23 | H25 | 119.9° | 120.1° |
| O | C2 | O1 | 124.6° | 120.0° |
| C2 | O | C1 | 123.3° | 117.0° |
| O | C1 | C | 111.4° | 108.5° |
| O | C1 | C47 | 99.9° | 108.5° |
| O | C1 | C4 | 107.6° | 108.5° |
| C19 | C18 | C23 | 119.2° | 119.7° |
| C19 | C18 | N1 | 117.3° | 120.2° |
| C18 | C19 | H21 | 120.0° | 120.1° |
| C31 | C30 | C29 | 128.9° | 124.0° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H32 | 109.5° | 109.4° |
| C30 | C29 | C47 | 113.0° | 110.4° |
| C30 | C29 | C25 | 125.3° | 127.9° |
| C23 | C18 | N1 | 123.5° | 120.1° |
| C18 | C23 | H25 | 120.0° | 120.1° |
| C | C1 | C47 | 111.1° | 108.6° |
| C | C1 | C4 | 111.0° | 108.6° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C18 | N1 | N | 112.0° | 120.0° |
| C1 | C47 | C29 | 115.1° | 117.7° |
| C47 | C1 | C4 | 115.3° | 114.0° |
| C1 | C47 | H57 | 109.0° | 104.0° |
| C47 | C29 | C25 | 121.7° | 121.7° |
| C29 | C47 | H57 | 109.5° | 102.5° |
| C1 | C4 | C5 | 121.5° | 110.7° |
| C1 | C4 | H4 | 106.4° | 109.2° |
| C1 | C4 | H5 | 106.4° | 109.2° |
| C29 | C25 | O5 | 111.3° | 113.8° |
| C29 | C25 | C24 | 117.1° | 109.6° |
| C29 | C25 | H26 | 108.1° | 109.2° |
| N1 | N | C15 | 116.3° | 120.0° |
| N | C15 | C16 | 114.8° | 120.2° |
| N | C15 | C14 | 126.3° | 120.2° |
| C4 | C5 | O2 | 103.2° | 108.9° |
| C4 | C5 | C24 | 118.5° | 112.3° |
| C5 | C4 | H4 | 106.4° | 109.2° |
| C5 | C4 | H5 | 106.4° | 109.2° |
| C4 | C5 | H6 | 109.2° | 108.9° |
| C16 | C15 | C14 | 118.9° | 119.7° |
| C15 | C16 | C17 | 120.3° | 119.8° |
| C15 | C16 | H19 | 119.8° | 120.1° |
| C15 | C14 | C13 | 120.2° | 119.8° |
| C15 | C14 | H18 | 119.9° | 120.1° |
| O5 | C25 | C24 | 103.3° | 105.1° |
| C25 | O5 | C26 | 108.0° | 106.9° |
| O5 | C25 | H26 | 108.9° | 109.6° |
| C25 | C24 | C5 | 114.3° | 115.0° |
| C25 | C24 | O4 | 114.1° | 107.7° |
| C25 | C24 | C27 | 96.7° | 102.6° |
| C24 | C25 | H26 | 107.8° | 109.6° |
| C16 | C17 | C12 | 121.2° | 120.2° |
| C17 | C16 | H19 | 119.8° | 120.1° |
| C16 | C17 | H20 | 119.4° | 119.9° |
| O5 | C26 | C27 | 109.8° | 108.5° |
| O5 | C26 | O7 | 122.0° | 125.9° |
| C5 | O2 | C6 | 117.2° | 117.0° |
| O2 | C5 | C24 | 106.5° | 108.9° |
| O2 | C5 | H6 | 110.1° | 108.9° |
| O2 | C6 | C7 | 111.3° | 120.0° |
| O2 | C6 | O3 | 123.7° | 120.0° |
| C14 | C13 | C12 | 121.2° | 120.2° |
| C14 | C13 | H17 | 119.4° | 119.9° |
| C13 | C14 | H18 | 119.9° | 120.1° |
| C5 | C24 | O4 | 110.0° | 107.9° |
| C5 | C24 | C27 | 118.2° | 115.4° |
| C24 | C5 | H6 | 109.0° | 108.9° |
| O4 | C24 | C27 | 102.6° | 107.7° |
| C24 | O4 | H8 | 109.5° | 114.0° |
| C24 | C27 | C26 | 99.6° | 103.8° |
| C24 | C27 | O6 | 109.1° | 110.6° |
| C24 | C27 | C28 | 118.7° | 110.5° |
| C6 | C7 | C8 | 113.0° | 109.5° |
| C7 | C6 | O3 | 124.9° | 120.0° |
| C6 | C7 | H58 | 108.6° | 109.4° |
| C6 | C7 | H59 | 108.6° | 109.4° |
| C7 | C8 | C9 | 112.9° | 109.4° |
| C8 | C7 | H58 | 108.6° | 109.5° |
| C8 | C7 | H59 | 108.6° | 109.5° |
| C7 | C8 | H60 | 108.6° | 109.5° |
| C7 | C8 | H61 | 108.6° | 109.5° |
| C17 | C12 | C13 | 118.2° | 120.3° |
| C17 | C12 | C11 | 121.0° | 119.8° |
| C12 | C17 | H20 | 119.4° | 119.9° |
| C13 | C12 | C11 | 120.9° | 119.9° |
| C12 | C13 | H17 | 119.4° | 119.9° |
| C27 | C26 | O7 | 128.2° | 125.6° |
| C26 | C27 | O6 | 108.1° | 110.6° |
| C26 | C27 | C28 | 111.0° | 110.6° |
| C12 | C11 | C10 | 116.0° | 109.5° |
| C12 | C11 | H15 | 107.8° | 109.4° |
| C12 | C11 | H16 | 107.8° | 109.5° |
| C8 | C9 | C10 | 114.0° | 109.5° |
| C9 | C8 | H60 | 108.6° | 109.4° |
| C9 | C8 | H61 | 108.6° | 109.5° |
| C8 | C9 | H62 | 108.3° | 109.5° |
| C8 | C9 | H63 | 108.3° | 109.5° |
| C9 | C10 | C11 | 114.6° | 109.4° |
| C9 | C10 | H13 | 108.2° | 109.5° |
| C9 | C10 | H14 | 108.2° | 109.4° |
| C10 | C9 | H62 | 108.3° | 109.5° |
| C10 | C9 | H63 | 108.3° | 109.4° |
| O6 | C27 | C28 | 109.6° | 110.6° |
| C27 | O6 | H7 | 109.5° | 114.0° |
| C27 | C28 | H27 | 109.5° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| C27 | C28 | H29 | 109.4° | 109.5° |
| C11 | C10 | H13 | 108.2° | 109.5° |
| C11 | C10 | H14 | 108.2° | 109.5° |
| C10 | C11 | H15 | 107.8° | 109.4° |
| C10 | C11 | H16 | 107.8° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H1 | C3 | H3 | 109.5° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.2° |
| H10 | C | H11 | 109.5° | 109.4° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.4° | 109.4° |
| H27 | C28 | H29 | 109.5° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.4° | 109.4° |
| H30 | C31 | H32 | 109.5° | 109.4° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.4° |
| H34 | C35 | H36 | 109.5° | 109.5° |
| H35 | C35 | H36 | 109.5° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.4° |
| H38 | C37 | H40 | 109.5° | 109.5° |
| H39 | C37 | H40 | 109.5° | 109.5° |
| H42 | C40 | H43 | 109.5° | 109.5° |
| H44 | C41 | H45 | 109.5° | 109.5° |
| H46 | C42 | H47 | 109.5° | 109.5° |
| H48 | C43 | H49 | 109.5° | 109.6° |
| H50 | C44 | H51 | 109.5° | 109.5° |
| H52 | C45 | H53 | 109.5° | 109.4° |
| H54 | C46 | H55 | 109.5° | 109.5° |
| H54 | C46 | H56 | 109.5° | 109.4° |
| H55 | C46 | H56 | 109.5° | 109.5° |
| H58 | C7 | H59 | 109.4° | 109.5° |
| H60 | C8 | H61 | 109.5° | 109.5° |
| H62 | C9 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C46 | C45 | C44 | H52 | 120.5° | 120.0° |
| C46 | C45 | C44 | H53 | 120.5° | 120.0° |
| C46 | C45 | C44 | C43 | 176.8° | 180.0° |
| C46 | C45 | C44 | H50 | 62.7° | 60.0° |
| C46 | C45 | C44 | H51 | 56.4° | 60.0° |
| C46 | C45 | H52 | H53 | 118.2° | 120.0° |
| C45 | C46 | H54 | H55 | 120.0° | 120.0° |
| C45 | C46 | H54 | H56 | 120.0° | 120.0° |
| C45 | C46 | H55 | H56 | 120.0° | 120.0° |
| C45 | C44 | C43 | H50 | 120.4° | 120.0° |
| C45 | C44 | C43 | H51 | 120.4° | 119.9° |
| C45 | C44 | C43 | C42 | 179.1° | 180.0° |
| C45 | C44 | C43 | H48 | 58.4° | 60.0° |
| C45 | C44 | C43 | H49 | 60.1° | 60.1° |
| C45 | C44 | H50 | H51 | 118.7° | 119.9° |
| C44 | C45 | H52 | H53 | 118.3° | 120.0° |
| C44 | C45 | C46 | H54 | 180.0° | 60.0° |
| C44 | C45 | C46 | H55 | 60.0° | 60.0° |
| C44 | C45 | C46 | H56 | 60.0° | 179.9° |
| C44 | C43 | C42 | H48 | 120.7° | 120.0° |
| C44 | C43 | C42 | H49 | 120.8° | 119.9° |
| C44 | C43 | C42 | C41 | 175.7° | 180.0° |
| C44 | C43 | C42 | H46 | 63.7° | 60.0° |
| C44 | C43 | C42 | H47 | 55.2° | 60.1° |
| C44 | C43 | H48 | H49 | 117.7° | 120.0° |
| C43 | C44 | H50 | H51 | 118.7° | 120.1° |
| C43 | C44 | C45 | H52 | 56.3° | 60.0° |
| C43 | C44 | C45 | H53 | 62.6° | 60.0° |
| C43 | C42 | C41 | H46 | 120.5° | 120.0° |
| C43 | C42 | C41 | H47 | 120.5° | 120.0° |
| C43 | C42 | C41 | C40 | 179.6° | 179.9° |
| C43 | C42 | C41 | H44 | 58.9° | 60.0° |
| C43 | C42 | C41 | H45 | 59.8° | 60.0° |
| C43 | C42 | H46 | H47 | 118.4° | 120.1° |
| C42 | C43 | H48 | H49 | 117.7° | 120.0° |
| C42 | C43 | C44 | H50 | 60.5° | 60.0° |
| C42 | C43 | C44 | H51 | 58.7° | 60.1° |
| C35 | C34 | C36 | C33 | 179.7° | 180.0° |
| C35 | C34 | C36 | C37 | 180.0° | 180.0° |
| C35 | C34 | C33 | O9 | 39.5° | 180.0° |
| C35 | C34 | C33 | O8 | 138.5° | 0.0° |
| C34 | C35 | H34 | H35 | 120.0° | 120.0° |
| C34 | C35 | H34 | H36 | 120.0° | 120.1° |
| C34 | C35 | H35 | H36 | 120.0° | 120.0° |
| C35 | C34 | C36 | H37 | 0.1° | 0.0° |
| C42 | C41 | C40 | H44 | 120.7° | 120.0° |
| C42 | C41 | C40 | H45 | 120.7° | 119.9° |
| C42 | C41 | C40 | C39 | 161.3° | 180.0° |
| C42 | C41 | C40 | H42 | 78.6° | 60.0° |
| C42 | C41 | C40 | H43 | 41.1° | 60.0° |
| C42 | C41 | H44 | H45 | 117.9° | 119.9° |
| C41 | C42 | H46 | H47 | 118.5° | 119.9° |
| C41 | C42 | C43 | H48 | 55.0° | 60.0° |
| C41 | C42 | C43 | H49 | 63.5° | 60.1° |
| C34 | C36 | C37 | H37 | 180.0° | 180.0° |
| C36 | C34 | C33 | O9 | 140.8° | 0.0° |
| C36 | C34 | C33 | O8 | 41.2° | 180.0° |
| C36 | C34 | C35 | H34 | 180.0° | 90.0° |
| C36 | C34 | C35 | H35 | 60.0° | 150.0° |
| C36 | C34 | C35 | H36 | 60.0° | 30.0° |
| C34 | C36 | C37 | H38 | 180.0° | 60.0° |
| C34 | C36 | C37 | H39 | 60.0° | 60.0° |
| C34 | C36 | C37 | H40 | 60.0° | 180.0° |
| C33 | C34 | C36 | C37 | 0.3° | 0.0° |
| C34 | C33 | O9 | O8 | 177.8° | 179.9° |
| C34 | C33 | O8 | C32 | 166.3° | 180.0° |
| C33 | C34 | C35 | H34 | 0.3° | 89.9° |
| C33 | C34 | C35 | H35 | 119.7° | 30.0° |
| C33 | C34 | C35 | H36 | 120.3° | 150.0° |
| C33 | C34 | C36 | H37 | 179.7° | 179.9° |
| C36 | C37 | H38 | H39 | 120.0° | 120.0° |
| C36 | C37 | H38 | H40 | 120.0° | 120.0° |
| C36 | C37 | H39 | H40 | 120.0° | 120.1° |
| C41 | C40 | C39 | H42 | 120.2° | 119.9° |
| C41 | C40 | C39 | H43 | 120.2° | 120.0° |
| C41 | C40 | C39 | O11 | 5.3° | 0.0° |
| C41 | C40 | C39 | O10 | 172.8° | 180.0° |
| C41 | C40 | H42 | H43 | 119.5° | 120.0° |
| C40 | C41 | H44 | H45 | 117.9° | 120.1° |
| C40 | C41 | C42 | H46 | 59.9° | 60.0° |
| C40 | C41 | C42 | H47 | 59.1° | 60.0° |
| O9 | C33 | O8 | C32 | 11.8° | 0.0° |
| C33 | O8 | C32 | C38 | 110.6° | 150.0° |
| C33 | O8 | C32 | C30 | 129.6° | 93.2° |
| C33 | O8 | C32 | H33 | 7.1° | 28.5° |
| C40 | C39 | O11 | O10 | 177.9° | 180.0° |
| C40 | C39 | O10 | C38 | 166.1° | 180.0° |
| C39 | C40 | H42 | H43 | 119.5° | 120.0° |
| C39 | C40 | C41 | H44 | 40.6° | 60.0° |
| C39 | C40 | C41 | H45 | 78.1° | 60.0° |
| O11 | C39 | O10 | C38 | 12.1° | 0.0° |
| O11 | C39 | C40 | H42 | 114.8° | 120.0° |
| O11 | C39 | C40 | H43 | 125.5° | 120.0° |
| C39 | O10 | C38 | C32 | 116.1° | 91.4° |
| C39 | O10 | C38 | C47 | 121.0° | 155.2° |
| C39 | O10 | C38 | H41 | 0.4° | 31.9° |
| O10 | C39 | C40 | H42 | 67.0° | 60.0° |
| O10 | C39 | C40 | H43 | 52.6° | 60.0° |
| O8 | C32 | C38 | O10 | 108.7° | 115.6° |
| O8 | C32 | C38 | C30 | 126.2° | 119.2° |
| O8 | C32 | C38 | H33 | 118.4° | 121.6° |
| O8 | C32 | C30 | H33 | 122.9° | 121.7° |
| O8 | C32 | C38 | C47 | 121.2° | 126.0° |
| O8 | C32 | C30 | C31 | 60.7° | 59.2° |
| O8 | C32 | C30 | C29 | 119.3° | 120.8° |
| O8 | C32 | C38 | H41 | 7.6° | 7.7° |
| O10 | C38 | C32 | C47 | 130.1° | 118.4° |
| O10 | C38 | C32 | H41 | 116.3° | 123.3° |
| O10 | C38 | C32 | C30 | 125.1° | 125.2° |
| O10 | C38 | C47 | H41 | 122.0° | 123.3° |
| O10 | C38 | C47 | C1 | 117.4° | 94.8° |
| O10 | C38 | C47 | C29 | 118.9° | 127.7° |
| O10 | C38 | C32 | H33 | 9.7° | 6.0° |
| O10 | C38 | C47 | H57 | 2.4° | 19.7° |
| C38 | C32 | C30 | H33 | 115.2° | 119.1° |
| C32 | C38 | C47 | H41 | 113.8° | 118.3° |
| C38 | C32 | C30 | C31 | 177.3° | 178.3° |
| C38 | C32 | C30 | C29 | 2.6° | 1.7° |
| C32 | C38 | C47 | C1 | 118.4° | 146.8° |
| C32 | C38 | C47 | C29 | 5.4° | 9.4° |
| C32 | C38 | C47 | H57 | 121.9° | 98.7° |
| C30 | C32 | C38 | C47 | 5.0° | 6.8° |
| C32 | C30 | C31 | C29 | 179.9° | 180.0° |
| C32 | C30 | C29 | C47 | 0.9° | 4.6° |
| C32 | C30 | C29 | C25 | 178.2° | 174.5° |
| C32 | C30 | C31 | H30 | 180.0° | 90.0° |
| C32 | C30 | C31 | H31 | 60.0° | 30.0° |
| C32 | C30 | C31 | H32 | 60.0° | 150.0° |
| C30 | C32 | C38 | H41 | 118.6° | 111.5° |
| C3 | C2 | O | O1 | 179.9° | 179.9° |
| C3 | C2 | O | C1 | 175.3° | 180.0° |
| C2 | C3 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | H1 | H3 | 120.0° | 120.0° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C20 | C21 | C22 | H23 | 180.0° | 180.0° |
| C21 | C20 | C19 | H22 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.3° |
| C21 | C20 | C19 | C18 | 0.3° | 0.0° |
| C21 | C20 | C19 | H21 | 179.7° | 179.9° |
| C20 | C21 | C22 | H24 | 179.7° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C22 | C23 | H24 | 180.0° | 179.7° |
| C21 | C22 | C23 | C18 | 0.1° | 0.5° |
| C22 | C21 | C20 | H22 | 179.9° | 180.0° |
| C21 | C22 | C23 | H25 | 179.9° | 180.0° |
| C38 | C47 | C1 | O | 52.4° | 24.6° |
| C38 | C47 | C29 | C30 | 4.0° | 9.1° |
| C38 | C47 | C1 | C | 65.3° | 93.1° |
| C38 | C47 | C1 | C29 | 116.8° | 133.3° |
| C38 | C47 | C1 | H57 | 119.8° | 114.1° |
| C38 | C47 | C29 | H57 | 116.3° | 108.5° |
| C38 | C47 | C1 | C4 | 167.4° | 145.7° |
| C38 | C47 | C29 | C25 | 175.1° | 170.0° |
| C47 | C38 | C32 | H33 | 120.4° | 112.4° |
| C20 | C19 | C18 | H21 | 180.0° | 179.9° |
| C20 | C19 | C18 | C23 | 0.5° | 0.3° |
| C20 | C19 | C18 | N1 | 179.1° | 180.0° |
| C19 | C20 | C21 | H23 | 179.9° | 180.0° |
| C22 | C23 | C18 | C19 | 0.3° | 0.5° |
| C22 | C23 | C18 | H25 | 180.0° | 179.5° |
| C22 | C23 | C18 | N1 | 179.3° | 179.8° |
| C23 | C22 | C21 | H23 | 179.7° | 179.7° |
| C2 | O | C1 | C | 59.1° | 57.8° |
| C2 | O | C1 | C47 | 176.5° | 175.6° |
| C2 | O | C1 | C4 | 62.8° | 60.0° |
| O | C2 | C3 | H1 | 179.9° | 0.1° |
| O | C2 | C3 | H2 | 60.1° | 120.0° |
| O | C2 | C3 | H3 | 59.9° | 120.0° |
| O1 | C2 | O | C1 | 4.5° | 0.0° |
| O1 | C2 | C3 | H1 | 0.0° | 180.0° |
| O1 | C2 | C3 | H2 | 120.0° | 60.0° |
| O1 | C2 | C3 | H3 | 120.0° | 60.0° |
| O | C1 | C | C47 | 110.4° | 117.7° |
| O | C1 | C | C4 | 119.9° | 117.8° |
| O | C1 | C47 | C4 | 115.0° | 121.1° |
| O | C1 | C47 | C29 | 169.2° | 157.8° |
| O | C1 | C4 | C5 | 160.7° | 163.0° |
| O | C1 | C4 | H4 | 77.7° | 42.7° |
| O | C1 | C4 | H5 | 39.0° | 76.7° |
| O | C1 | C | H10 | 180.0° | 169.6° |
| O | C1 | C | H11 | 60.0° | 49.7° |
| O | C1 | C | H12 | 60.0° | 70.3° |
| O | C1 | C47 | H57 | 67.4° | 89.6° |
| C19 | C18 | C23 | N1 | 179.5° | 179.7° |
| C19 | C18 | N1 | N | 1.2° | 180.0° |
| C18 | C19 | C20 | H22 | 179.7° | 180.0° |
| C19 | C18 | C23 | H25 | 179.8° | 179.9° |
| C31 | C30 | C29 | C47 | 179.1° | 175.5° |
| C31 | C30 | C29 | C25 | 1.8° | 5.5° |
| C30 | C31 | H30 | H31 | 120.0° | 120.1° |
| C30 | C31 | H30 | H32 | 120.0° | 120.0° |
| C30 | C31 | H31 | H32 | 120.0° | 120.0° |
| C31 | C30 | C32 | H33 | 62.1° | 62.5° |
| C30 | C29 | C47 | C1 | 116.5° | 147.2° |
| C30 | C29 | C47 | C25 | 179.1° | 179.1° |
| C30 | C29 | C25 | O5 | 56.3° | 26.4° |
| C30 | C29 | C25 | C24 | 174.8° | 143.6° |
| C30 | C29 | C25 | H26 | 63.2° | 96.4° |
| C29 | C30 | C31 | H30 | 0.0° | 90.0° |
| C29 | C30 | C31 | H31 | 119.9° | 150.0° |
| C29 | C30 | C31 | H32 | 120.1° | 30.0° |
| C29 | C30 | C32 | H33 | 117.8° | 117.5° |
| C30 | C29 | C47 | H57 | 120.3° | 99.4° |
| C23 | C18 | N1 | N | 179.3° | 0.3° |
| C23 | C18 | C19 | H21 | 179.6° | 179.8° |
| C18 | C23 | C22 | H24 | 179.9° | 179.8° |
| C | C1 | C47 | C4 | 127.3° | 121.2° |
| C | C1 | C47 | C29 | 51.5° | 40.2° |
| C | C1 | C4 | C5 | 77.2° | 45.2° |
| C | C1 | C4 | H4 | 44.5° | 75.0° |
| C | C1 | C4 | H5 | 161.2° | 165.6° |
| C1 | C | H10 | H11 | 120.0° | 119.9° |
| C1 | C | H10 | H12 | 120.0° | 120.1° |
| C1 | C | H11 | H12 | 120.0° | 120.1° |
| C | C1 | C47 | H57 | 174.9° | 152.7° |
| C18 | N1 | N | C15 | 167.6° | 180.0° |
| N1 | C18 | C19 | H21 | 0.9° | 0.1° |
| N1 | C18 | C23 | H25 | 0.7° | 0.3° |
| C1 | C47 | C29 | H57 | 123.2° | 113.4° |
| C1 | C47 | C29 | C25 | 64.3° | 31.9° |
| C47 | C1 | C4 | C5 | 50.2° | 76.0° |
| C47 | C1 | C4 | H4 | 171.9° | 163.7° |
| C47 | C1 | C4 | H5 | 71.4° | 44.3° |
| C47 | C1 | C | H10 | 69.6° | 51.9° |
| C47 | C1 | C | H11 | 50.5° | 68.0° |
| C47 | C1 | C | H12 | 170.4° | 172.0° |
| C1 | C47 | C38 | H41 | 4.6° | 28.5° |
| C29 | C47 | C1 | C4 | 75.8° | 81.1° |
| C47 | C29 | C25 | O5 | 122.7° | 154.7° |
| C47 | C29 | C25 | C24 | 4.2° | 37.4° |
| C47 | C29 | C25 | H26 | 117.7° | 82.6° |
| C29 | C47 | C38 | H41 | 119.1° | 108.9° |
| C1 | C4 | C5 | H4 | 121.7° | 120.3° |
| C1 | C4 | C5 | H5 | 121.7° | 120.3° |
| C1 | C4 | C5 | O2 | 68.0° | 56.5° |
| C1 | C4 | C5 | C24 | 49.4° | 64.2° |
| C1 | C4 | H4 | H5 | 114.6° | 119.4° |
| C1 | C4 | C5 | H6 | 175.0° | 175.1° |
| C4 | C1 | C | H10 | 60.1° | 72.6° |
| C4 | C1 | C | H11 | 179.9° | 167.5° |
| C4 | C1 | C | H12 | 59.9° | 47.5° |
| C4 | C1 | C47 | H57 | 47.6° | 31.5° |
| C29 | C25 | O5 | C24 | 126.5° | 119.9° |
| C29 | C25 | O5 | H26 | 119.1° | 122.5° |
| C29 | C25 | C24 | H26 | 122.1° | 119.7° |
| C29 | C25 | O5 | C26 | 155.4° | 157.4° |
| C29 | C25 | C24 | C5 | 67.9° | 85.9° |
| C29 | C25 | C24 | O4 | 60.0° | 34.4° |
| C29 | C25 | C24 | C27 | 167.1° | 147.9° |
| C25 | C29 | C47 | H57 | 58.8° | 81.5° |
| N1 | N | C15 | C16 | 179.9° | 180.0° |
| N1 | N | C15 | C14 | 1.0° | 0.1° |
| N | C15 | C16 | C14 | 179.1° | 179.9° |
| N | C15 | C16 | C17 | 178.7° | 179.8° |
| N | C15 | C14 | C13 | 178.5° | 179.9° |
| N | C15 | C14 | H18 | 1.5° | 0.0° |
| N | C15 | C16 | H19 | 1.3° | 0.1° |
| C4 | C5 | C24 | C25 | 74.9° | 83.8° |
| C4 | C5 | O2 | C24 | 125.5° | 122.8° |
| C4 | C5 | O2 | H6 | 116.5° | 118.6° |
| C4 | C5 | O2 | C6 | 112.7° | 90.0° |
| C4 | C5 | C24 | H6 | 125.7° | 120.7° |
| C4 | C5 | C24 | O4 | 55.0° | 36.4° |
| C4 | C5 | C24 | C27 | 172.3° | 156.9° |
| C5 | C4 | H4 | H5 | 114.6° | 119.4° |
| C15 | C16 | C17 | H19 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.5° | 0.0° |
| C15 | C16 | C17 | C12 | 0.0° | 0.5° |
| C16 | C15 | C14 | H18 | 179.5° | 179.9° |
| C15 | C16 | C17 | H20 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.3° |
| C15 | C14 | C13 | H18 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H17 | 179.8° | 180.0° |
| C14 | C15 | C16 | H19 | 179.6° | 180.0° |
| O5 | C25 | C24 | H26 | 115.1° | 117.6° |
| O5 | C25 | C24 | C5 | 169.4° | 151.4° |
| O5 | C25 | C24 | O4 | 62.8° | 88.2° |
| O5 | C25 | C24 | C27 | 44.3° | 25.3° |
| C25 | O5 | C26 | C27 | 0.4° | 33.4° |
| C25 | O5 | C26 | O7 | 179.2° | 147.0° |
| C24 | C25 | O5 | C26 | 28.8° | 37.5° |
| C25 | C24 | C5 | O2 | 40.7° | 36.9° |
| C25 | C24 | C5 | O4 | 129.9° | 120.2° |
| C25 | C24 | C5 | C27 | 112.8° | 119.3° |
| C25 | C24 | O4 | C27 | 103.4° | 110.1° |
| C25 | C24 | C27 | C26 | 42.6° | 6.6° |
| C25 | C24 | C27 | O6 | 70.5° | 112.0° |
| C25 | C24 | C27 | C28 | 163.0° | 125.2° |
| C25 | C24 | C5 | H6 | 159.4° | 155.5° |
| C25 | C24 | O4 | H8 | 180.0° | 175.9° |
| C16 | C17 | C12 | H20 | 180.0° | 179.5° |
| C16 | C17 | C12 | C13 | 0.3° | 0.5° |
| C16 | C17 | C12 | C11 | 178.7° | 179.7° |
| O5 | C26 | C27 | C24 | 29.0° | 16.2° |
| O5 | C26 | C27 | O7 | 179.6° | 179.6° |
| O5 | C26 | C27 | O6 | 84.9° | 134.8° |
| O5 | C26 | C27 | C28 | 154.9° | 102.4° |
| C26 | O5 | C25 | H26 | 85.5° | 80.1° |
| O2 | C5 | C24 | H6 | 118.7° | 118.6° |
| O2 | C5 | C24 | O4 | 170.6° | 157.1° |
| O2 | C5 | C24 | C27 | 72.1° | 82.3° |
| C5 | O2 | C6 | C7 | 178.4° | 180.0° |
| C5 | O2 | C6 | O3 | 1.3° | 0.0° |
| O2 | C5 | C4 | H4 | 53.7° | 63.8° |
| O2 | C5 | C4 | H5 | 170.4° | 176.8° |
| C6 | O2 | C5 | C24 | 121.9° | 147.2° |
| O2 | C6 | C7 | O3 | 179.8° | 180.0° |
| O2 | C6 | C7 | C8 | 114.1° | 180.0° |
| C6 | O2 | C5 | H6 | 3.8° | 28.6° |
| O2 | C6 | C7 | H58 | 6.5° | 60.0° |
| O2 | C6 | C7 | H59 | 125.4° | 60.0° |
| C14 | C13 | C12 | C17 | 0.2° | 0.2° |
| C14 | C13 | C12 | H17 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 178.8° | 180.0° |
| C5 | C24 | O4 | C27 | 126.6° | 125.2° |
| C5 | C24 | C27 | C26 | 164.8° | 132.5° |
| C5 | C24 | C27 | O6 | 51.8° | 13.8° |
| C5 | C24 | C27 | C28 | 74.8° | 109.0° |
| C24 | C5 | C4 | H4 | 171.1° | 175.5° |
| C24 | C5 | C4 | H5 | 72.3° | 56.1° |
| C5 | C24 | O4 | H8 | 50.0° | 59.4° |
| C5 | C24 | C25 | H26 | 54.3° | 33.8° |
| O4 | C24 | C27 | C26 | 74.0° | 106.9° |
| O4 | C24 | C27 | O6 | 173.0° | 134.5° |
| O4 | C24 | C27 | C28 | 46.5° | 11.7° |
| O4 | C24 | C5 | H6 | 70.7° | 84.3° |
| O4 | C24 | C25 | H26 | 177.9° | 154.1° |
| C24 | C27 | C26 | O6 | 113.9° | 118.6° |
| C24 | C27 | C26 | C28 | 125.9° | 118.6° |
| C24 | C27 | C26 | O7 | 150.6° | 164.2° |
| C24 | C27 | O6 | C28 | 131.6° | 122.8° |
| C27 | C24 | C5 | H6 | 46.6° | 36.2° |
| C24 | C27 | O6 | H7 | 180.0° | 180.0° |
| C27 | C24 | O4 | H8 | 76.6° | 65.9° |
| C27 | C24 | C25 | H26 | 70.8° | 92.3° |
| C24 | C27 | C28 | H27 | 180.0° | 60.0° |
| C24 | C27 | C28 | H28 | 60.0° | 180.0° |
| C24 | C27 | C28 | H29 | 60.0° | 60.0° |
| C6 | C7 | C8 | H58 | 120.5° | 120.0° |
| C6 | C7 | C8 | H59 | 120.5° | 120.0° |
| C6 | C7 | C8 | C9 | 165.8° | 180.0° |
| C6 | C7 | H58 | H59 | 118.4° | 120.0° |
| C6 | C7 | C8 | H60 | 45.3° | 60.0° |
| C6 | C7 | C8 | H61 | 73.7° | 60.0° |
| C8 | C7 | C6 | O3 | 65.7° | 0.0° |
| C7 | C8 | C9 | H60 | 120.5° | 120.0° |
| C7 | C8 | C9 | H61 | 120.5° | 120.0° |
| C7 | C8 | C9 | C10 | 177.3° | 180.0° |
| C8 | C7 | H58 | H59 | 118.4° | 120.1° |
| C7 | C8 | H60 | H61 | 118.5° | 120.1° |
| C7 | C8 | C9 | H62 | 62.1° | 60.0° |
| C7 | C8 | C9 | H63 | 56.6° | 60.0° |
| C17 | C12 | C13 | C11 | 179.0° | 179.8° |
| C17 | C12 | C11 | C10 | 4.2° | 90.3° |
| C17 | C12 | C11 | H15 | 116.7° | 149.8° |
| C17 | C12 | C11 | H16 | 125.2° | 29.8° |
| C17 | C12 | C13 | H17 | 179.8° | 179.8° |
| C12 | C17 | C16 | H19 | 180.0° | 179.7° |
| O3 | C6 | C7 | H58 | 173.7° | 120.0° |
| O3 | C6 | C7 | H59 | 54.8° | 120.0° |
| C13 | C12 | C11 | C10 | 176.8° | 89.9° |
| C13 | C12 | C11 | H15 | 62.2° | 30.0° |
| C13 | C12 | C11 | H16 | 55.8° | 150.0° |
| C12 | C13 | C14 | H18 | 179.8° | 179.9° |
| C13 | C12 | C17 | H20 | 179.7° | 180.0° |
| C26 | C27 | O6 | C28 | 121.1° | 122.9° |
| C26 | C27 | O6 | H7 | 72.6° | 65.6° |
| C26 | C27 | C28 | H27 | 65.6° | 54.3° |
| C26 | C27 | C28 | H28 | 174.5° | 65.6° |
| C26 | C27 | C28 | H29 | 54.5° | 174.4° |
| O7 | C26 | C27 | O6 | 95.5° | 45.6° |
| O7 | C26 | C27 | C28 | 24.7° | 77.2° |
| C12 | C11 | C10 | C9 | 76.3° | 180.0° |
| C12 | C11 | C10 | H15 | 120.9° | 119.9° |
| C12 | C11 | C10 | H16 | 121.0° | 120.0° |
| C12 | C11 | C10 | H13 | 162.9° | 60.0° |
| C12 | C11 | C10 | H14 | 44.5° | 60.1° |
| C12 | C11 | H15 | H16 | 117.0° | 120.0° |
| C11 | C12 | C13 | H17 | 1.2° | 0.1° |
| C11 | C12 | C17 | H20 | 1.3° | 0.2° |
| C8 | C9 | C10 | H62 | 120.7° | 120.0° |
| C8 | C9 | C10 | H63 | 120.7° | 120.0° |
| C8 | C9 | C10 | C11 | 172.1° | 180.0° |
| C8 | C9 | C10 | H13 | 51.4° | 60.0° |
| C8 | C9 | C10 | H14 | 67.1° | 60.0° |
| C9 | C8 | C7 | H58 | 73.7° | 60.1° |
| C9 | C8 | C7 | H59 | 45.3° | 60.0° |
| C9 | C8 | H60 | H61 | 118.4° | 120.0° |
| C8 | C9 | H62 | H63 | 117.9° | 120.0° |
| C9 | C10 | C11 | H13 | 120.8° | 120.0° |
| C9 | C10 | C11 | H14 | 120.8° | 119.9° |
| C9 | C10 | H13 | H14 | 117.7° | 120.0° |
| C9 | C10 | C11 | H15 | 162.8° | 60.1° |
| C9 | C10 | C11 | H16 | 44.7° | 60.0° |
| C10 | C9 | C8 | H60 | 56.8° | 60.0° |
| C10 | C9 | C8 | H61 | 62.2° | 60.0° |
| C10 | C9 | H62 | H63 | 117.9° | 120.0° |
| O6 | C27 | C28 | H27 | 53.7° | 177.2° |
| O6 | C27 | C28 | H28 | 66.3° | 57.2° |
| O6 | C27 | C28 | H29 | 173.7° | 62.8° |
| C28 | C27 | O6 | H7 | 48.4° | 57.3° |
| C27 | C28 | H27 | H28 | 120.0° | 120.0° |
| C27 | C28 | H27 | H29 | 120.0° | 120.1° |
| C27 | C28 | H28 | H29 | 120.0° | 120.0° |
| C11 | C10 | H13 | H14 | 117.6° | 120.0° |
| C10 | C11 | H15 | H16 | 117.0° | 120.1° |
| C11 | C10 | C9 | H62 | 67.2° | 60.0° |
| C11 | C10 | C9 | H63 | 51.4° | 60.1° |
| H1 | C3 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H6 | 63.4° | 54.8° |
| H5 | C4 | C5 | H6 | 53.3° | 64.6° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
| H13 | C10 | C11 | H15 | 42.0° | 59.9° |
| H13 | C10 | C11 | H16 | 76.1° | 180.0° |
| H13 | C10 | C9 | H62 | 172.0° | 180.0° |
| H13 | C10 | C9 | H63 | 69.3° | 60.0° |
| H14 | C10 | C11 | H15 | 76.5° | 180.0° |
| H14 | C10 | C11 | H16 | 165.4° | 59.9° |
| H14 | C10 | C9 | H62 | 53.5° | 60.0° |
| H14 | C10 | C9 | H63 | 172.2° | 180.0° |
| H17 | C13 | C14 | H18 | 0.2° | 0.1° |
| H19 | C16 | C17 | H20 | 0.1° | 0.2° |
| H21 | C19 | C20 | H22 | 0.3° | 0.0° |
| H22 | C20 | C21 | H23 | 0.1° | 0.0° |
| H23 | C21 | C22 | H24 | 0.3° | 0.0° |
| H24 | C22 | C23 | H25 | 0.1° | 0.2° |
| H27 | C28 | H28 | H29 | 120.0° | 120.0° |
| H30 | C31 | H31 | H32 | 120.0° | 119.9° |
| H33 | C32 | C38 | H41 | 126.0° | 129.3° |
| H34 | C35 | H35 | H36 | 120.0° | 119.9° |
| H37 | C36 | C37 | H38 | 0.0° | 120.0° |
| H37 | C36 | C37 | H39 | 120.0° | 120.0° |
| H37 | C36 | C37 | H40 | 120.0° | 0.0° |
| H38 | C37 | H39 | H40 | 120.0° | 120.0° |
| H41 | C38 | C47 | H57 | 124.4° | 143.0° |
| H42 | C40 | C41 | H44 | 160.8° | 180.0° |
| H42 | C40 | C41 | H45 | 42.1° | 59.9° |
| H43 | C40 | C41 | H44 | 79.6° | 60.0° |
| H43 | C40 | C41 | H45 | 161.8° | 180.0° |
| H44 | C41 | C42 | H46 | 179.4° | 180.0° |
| H44 | C41 | C42 | H47 | 61.6° | 60.0° |
| H45 | C41 | C42 | H46 | 60.7° | 60.0° |
| H45 | C41 | C42 | H47 | 179.7° | NaN° |
| H46 | C42 | C43 | H48 | 175.5° | 180.0° |
| H46 | C42 | C43 | H49 | 57.0° | 59.9° |
| H47 | C42 | C43 | H48 | 65.5° | 59.9° |
| H47 | C42 | C43 | H49 | 176.0° | 180.0° |
| H48 | C43 | C44 | H50 | 178.8° | 180.0° |
| H48 | C43 | C44 | H51 | 62.0° | 59.9° |
| H49 | C43 | C44 | H50 | 60.3° | 59.9° |
| H49 | C43 | C44 | H51 | 179.5° | 180.0° |
| H50 | C44 | C45 | H52 | 176.7° | 180.0° |
| H50 | C44 | C45 | H53 | 57.8° | 60.0° |
| H51 | C44 | C45 | H52 | 64.1° | 60.0° |
| H51 | C44 | C45 | H53 | 177.0° | 180.0° |
| H52 | C45 | C46 | H54 | 59.5° | 180.0° |
| H52 | C45 | C46 | H55 | 60.5° | 60.0° |
| H52 | C45 | C46 | H56 | 179.5° | 60.0° |
| H53 | C45 | C46 | H54 | 59.4° | 60.0° |
| H53 | C45 | C46 | H55 | 179.4° | 180.0° |
| H53 | C45 | C46 | H56 | 60.6° | 59.9° |
| H54 | C46 | H55 | H56 | 120.0° | 120.0° |
| H58 | C7 | C8 | H60 | 165.9° | 180.0° |
| H58 | C7 | C8 | H61 | 46.8° | 60.0° |
| H59 | C7 | C8 | H60 | 75.2° | 59.9° |
| H59 | C7 | C8 | H61 | 165.8° | 180.0° |
| H60 | C8 | C9 | H62 | 177.5° | 60.0° |
| H60 | C8 | C9 | H63 | 63.9° | 180.0° |
| H61 | C8 | C9 | H62 | 58.4° | 180.0° |
| H61 | C8 | C9 | H63 | 177.1° | 60.0° |
