VUK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C43 | sing | 1.53Å | 1.51Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.51Å | 1.50Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C32 | C34 | doub | 1.33Å | 1.34Å | |
| C32 | C31 | sing | 1.47Å | 1.50Å | |
| C34 | C35 | sing | 1.51Å | 1.49Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| O9 | C31 | doub | 1.21Å | 1.21Å | |
| C31 | O8 | sing | 1.35Å | 1.34Å | |
| O11 | C37 | doub | 1.21Å | 1.20Å | |
| C38 | C37 | sing | 1.51Å | 1.50Å | |
| C37 | O10 | sing | 1.34Å | 1.34Å | |
| O8 | C30 | sing | 1.45Å | 1.44Å | |
| O10 | C36 | sing | 1.45Å | 1.44Å | |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| C30 | C36 | sing | 1.54Å | 1.53Å | |
| C30 | C28 | sing | 1.51Å | 1.51Å | |
| C36 | C45 | sing | 1.52Å | 1.54Å | |
| C2 | O | sing | 1.34Å | 1.36Å | |
| C2 | O1 | doub | 1.21Å | 1.20Å | |
| O | C1 | sing | 1.45Å | 1.48Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C28 | C27 | doub | 1.30Å | 1.34Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C45 | C1 | sing | 1.47Å | 1.55Å | |
| C45 | C27 | sing | 1.51Å | 1.51Å | |
| C1 | C4 | sing | 1.53Å | 1.54Å | |
| C27 | C23 | sing | 1.50Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C23 | O5 | sing | 1.45Å | 1.46Å | |
| C23 | C22 | sing | 1.51Å | 1.56Å | |
| O5 | C24 | sing | 1.32Å | 1.35Å | |
| O2 | C5 | sing | 1.45Å | 1.46Å | |
| O2 | C6 | sing | 1.34Å | 1.34Å | |
| C5 | C22 | sing | 1.49Å | 1.54Å | |
| C22 | O4 | sing | 1.43Å | 1.43Å | |
| C22 | C25 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C6 | O3 | doub | 1.21Å | 1.20Å | |
| C24 | C25 | sing | 1.52Å | 1.53Å | |
| C24 | O7 | doub | 1.21Å | 1.20Å | |
| C15 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | O6 | sing | 1.43Å | 1.42Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | N | sing | 1.37Å | 1.43Å | |
| N | N1 | doub | 1.29Å | 1.25Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C16 | sing | 1.37Å | 1.43Å | |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H43 | sing | 1.09Å | 1.10Å | |
| C42 | H44 | sing | 1.09Å | 1.10Å | |
| C43 | H45 | sing | 1.09Å | 1.10Å | |
| C43 | H46 | sing | 1.09Å | 1.10Å | |
| C44 | H47 | sing | 1.09Å | 1.10Å | |
| C44 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C45 | H50 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C7 | H52 | sing | 1.09Å | 1.10Å | |
| C7 | H53 | sing | 1.09Å | 1.10Å | |
| C8 | H54 | sing | 1.09Å | 1.10Å | |
| C8 | H55 | sing | 1.09Å | 1.10Å | |
| C9 | H56 | sing | 1.09Å | 1.10Å | |
| C9 | H57 | sing | 1.09Å | 1.10Å | |
| O4 | H59 | sing | 0.97Å | 0.95Å | |
| O6 | H60 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C43 | C42 | 113.1° | 109.4° |
| C44 | C43 | H45 | 108.6° | 109.4° |
| C44 | C43 | H46 | 108.5° | 109.5° |
| C43 | C44 | H47 | 109.5° | 109.4° |
| C43 | C44 | H48 | 109.5° | 109.5° |
| C43 | C44 | H49 | 109.5° | 109.5° |
| C43 | C42 | C41 | 113.9° | 109.5° |
| C43 | C42 | H43 | 108.4° | 109.5° |
| C43 | C42 | H44 | 108.4° | 109.5° |
| C42 | C43 | H45 | 108.5° | 109.5° |
| C42 | C43 | H46 | 108.6° | 109.5° |
| C42 | C41 | C40 | 114.2° | 109.5° |
| C42 | C41 | H41 | 108.3° | 109.5° |
| C42 | C41 | H42 | 108.3° | 109.5° |
| C41 | C42 | H43 | 108.3° | 109.5° |
| C41 | C42 | H44 | 108.4° | 109.4° |
| C41 | C40 | C39 | 114.6° | 109.5° |
| C41 | C40 | H39 | 108.1° | 109.5° |
| C41 | C40 | H40 | 108.2° | 109.5° |
| C40 | C41 | H41 | 108.3° | 109.5° |
| C40 | C41 | H42 | 108.3° | 109.4° |
| C33 | C32 | C34 | 122.1° | 120.0° |
| C33 | C32 | C31 | 114.2° | 120.0° |
| C32 | C33 | H25 | 109.5° | 109.5° |
| C32 | C33 | H26 | 109.4° | 109.5° |
| C32 | C33 | H27 | 109.5° | 109.4° |
| C40 | C39 | C38 | 113.4° | 109.5° |
| C40 | C39 | H35 | 108.5° | 109.5° |
| C40 | C39 | H36 | 108.5° | 109.4° |
| C39 | C40 | H39 | 108.2° | 109.5° |
| C39 | C40 | H40 | 108.2° | 109.4° |
| C34 | C32 | C31 | 123.6° | 120.0° |
| C32 | C34 | C35 | 131.1° | 120.0° |
| C32 | C34 | H28 | 114.4° | 120.1° |
| C32 | C31 | O9 | 124.9° | 120.0° |
| C32 | C31 | O8 | 112.0° | 120.0° |
| C35 | C34 | H28 | 114.5° | 120.0° |
| C34 | C35 | H29 | 109.5° | 109.4° |
| C34 | C35 | H30 | 109.5° | 109.5° |
| C34 | C35 | H31 | 109.5° | 109.5° |
| C39 | C38 | C37 | 114.0° | 109.5° |
| C39 | C38 | H33 | 108.3° | 109.5° |
| C39 | C38 | H34 | 108.3° | 109.5° |
| C38 | C39 | H35 | 108.5° | 109.5° |
| C38 | C39 | H36 | 108.5° | 109.5° |
| O9 | C31 | O8 | 123.0° | 120.0° |
| C31 | O8 | C30 | 115.8° | 117.0° |
| O11 | C37 | C38 | 125.1° | 120.0° |
| O11 | C37 | O10 | 123.6° | 120.0° |
| C38 | C37 | O10 | 111.3° | 120.0° |
| C37 | C38 | H33 | 108.3° | 109.4° |
| C37 | C38 | H34 | 108.3° | 109.5° |
| C37 | O10 | C36 | 116.9° | 117.0° |
| O8 | C30 | C36 | 110.6° | 110.1° |
| O8 | C30 | C28 | 108.6° | 109.9° |
| O8 | C30 | H24 | 111.2° | 110.1° |
| O10 | C36 | C30 | 109.9° | 110.8° |
| O10 | C36 | C45 | 112.7° | 110.6° |
| O10 | C36 | H32 | 109.8° | 110.8° |
| C3 | C2 | O | 109.9° | 120.0° |
| C3 | C2 | O1 | 125.3° | 120.0° |
| C2 | C3 | H21 | 109.5° | 109.5° |
| C2 | C3 | H22 | 109.5° | 109.5° |
| C2 | C3 | H23 | 109.4° | 109.5° |
| C36 | C30 | C28 | 106.3° | 106.4° |
| C30 | C36 | C45 | 107.1° | 102.8° |
| C36 | C30 | H24 | 109.8° | 110.1° |
| C30 | C36 | H32 | 108.6° | 110.7° |
| C30 | C28 | C29 | 121.3° | 124.0° |
| C30 | C28 | C27 | 108.9° | 112.0° |
| C28 | C30 | H24 | 110.2° | 110.1° |
| C36 | C45 | C1 | 107.0° | 119.0° |
| C36 | C45 | C27 | 102.4° | 107.8° |
| C45 | C36 | H32 | 108.5° | 110.9° |
| C36 | C45 | H50 | 109.6° | 103.3° |
| O | C2 | O1 | 124.8° | 120.0° |
| C2 | O | C1 | 123.6° | 117.0° |
| O | C1 | C | 103.1° | 108.5° |
| O | C1 | C45 | 106.0° | 108.5° |
| O | C1 | C4 | 111.9° | 108.6° |
| C29 | C28 | C27 | 129.7° | 124.0° |
| C28 | C29 | H18 | 109.5° | 109.4° |
| C28 | C29 | H19 | 109.5° | 109.5° |
| C28 | C29 | H20 | 109.5° | 109.4° |
| C28 | C27 | C45 | 115.3° | 110.2° |
| C28 | C27 | C23 | 124.6° | 127.9° |
| C | C1 | C45 | 110.0° | 108.6° |
| C | C1 | C4 | 111.1° | 108.6° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.4° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C45 | C27 | 117.9° | 117.7° |
| C45 | C1 | C4 | 114.1° | 113.9° |
| C1 | C45 | H50 | 109.5° | 103.9° |
| C45 | C27 | C23 | 120.1° | 121.9° |
| C27 | C45 | H50 | 110.0° | 102.6° |
| C1 | C4 | C5 | 123.6° | 110.7° |
| C1 | C4 | H37 | 105.8° | 109.2° |
| C1 | C4 | H38 | 105.8° | 109.2° |
| C27 | C23 | O5 | 111.8° | 114.5° |
| C27 | C23 | C22 | 118.7° | 109.3° |
| C27 | C23 | H14 | 107.7° | 108.6° |
| C4 | C5 | O2 | 108.2° | 108.9° |
| C4 | C5 | C22 | 114.3° | 112.3° |
| C5 | C4 | H37 | 105.8° | 109.3° |
| C5 | C4 | H38 | 105.8° | 109.2° |
| C4 | C5 | H51 | 109.1° | 108.9° |
| O5 | C23 | C22 | 102.5° | 105.1° |
| C23 | O5 | C24 | 108.6° | 107.2° |
| O5 | C23 | H14 | 108.5° | 109.6° |
| C23 | C22 | C5 | 116.6° | 115.0° |
| C23 | C22 | O4 | 114.5° | 107.6° |
| C23 | C22 | C25 | 97.7° | 102.6° |
| C22 | C23 | H14 | 107.3° | 109.6° |
| O5 | C24 | C25 | 110.0° | 108.4° |
| O5 | C24 | O7 | 121.7° | 125.7° |
| C5 | O2 | C6 | 117.9° | 117.0° |
| O2 | C5 | C22 | 106.3° | 108.9° |
| O2 | C5 | H51 | 110.0° | 108.8° |
| O2 | C6 | C7 | 110.8° | 120.0° |
| O2 | C6 | O3 | 124.0° | 120.0° |
| C5 | C22 | O4 | 104.3° | 108.0° |
| C5 | C22 | C25 | 115.9° | 115.5° |
| C22 | C5 | H51 | 108.9° | 108.9° |
| O4 | C22 | C25 | 108.0° | 107.6° |
| C22 | O4 | H59 | 109.5° | 113.9° |
| C22 | C25 | C24 | 99.2° | 103.8° |
| C22 | C25 | O6 | 111.8° | 110.5° |
| C22 | C25 | C26 | 115.5° | 110.5° |
| C6 | C7 | C8 | 114.1° | 109.4° |
| C7 | C6 | O3 | 125.2° | 120.0° |
| C6 | C7 | H52 | 108.3° | 109.5° |
| C6 | C7 | H53 | 108.3° | 109.4° |
| C7 | C8 | C9 | 112.5° | 109.4° |
| C8 | C7 | H52 | 108.3° | 109.5° |
| C8 | C7 | H53 | 108.3° | 109.5° |
| C7 | C8 | H54 | 108.7° | 109.5° |
| C7 | C8 | H55 | 108.7° | 109.5° |
| C8 | C9 | C10 | 115.9° | 109.4° |
| C9 | C8 | H54 | 108.7° | 109.5° |
| C9 | C8 | H55 | 108.7° | 109.5° |
| C8 | C9 | H56 | 107.8° | 109.4° |
| C8 | C9 | H57 | 107.8° | 109.5° |
| C9 | C10 | C15 | 120.9° | 119.9° |
| C9 | C10 | C11 | 121.0° | 119.8° |
| C10 | C9 | H56 | 107.8° | 109.5° |
| C10 | C9 | H57 | 107.8° | 109.5° |
| C25 | C24 | O7 | 128.4° | 125.9° |
| C24 | C25 | O6 | 106.5° | 110.6° |
| C24 | C25 | C26 | 113.3° | 110.5° |
| C10 | C15 | C14 | 121.1° | 120.2° |
| C15 | C10 | C11 | 118.1° | 120.3° |
| C10 | C15 | H12 | 119.4° | 119.9° |
| C15 | C14 | C13 | 120.3° | 119.8° |
| C15 | C14 | H11 | 119.8° | 120.0° |
| C14 | C15 | H12 | 119.5° | 119.9° |
| O6 | C25 | C26 | 109.9° | 110.6° |
| C25 | O6 | H60 | 109.5° | 114.0° |
| C25 | C26 | H15 | 109.5° | 109.4° |
| C25 | C26 | H16 | 109.4° | 109.5° |
| C25 | C26 | H17 | 109.5° | 109.5° |
| C10 | C11 | C12 | 121.1° | 120.1° |
| C10 | C11 | H1 | 119.5° | 119.9° |
| C14 | C13 | C12 | 118.8° | 119.7° |
| C14 | C13 | N | 117.3° | 120.1° |
| C13 | C14 | H11 | 119.9° | 120.1° |
| C11 | C12 | C13 | 120.2° | 119.9° |
| C12 | C11 | H1 | 119.4° | 119.9° |
| C11 | C12 | H2 | 119.9° | 120.1° |
| C12 | C13 | N | 123.8° | 120.2° |
| C13 | C12 | H2 | 119.9° | 120.1° |
| C13 | N | N1 | 115.2° | 120.0° |
| N | N1 | C16 | 112.7° | 120.0° |
| C20 | C21 | C16 | 120.0° | 119.8° |
| C21 | C20 | C19 | 120.4° | 120.2° |
| C21 | C20 | H5 | 119.8° | 119.9° |
| C20 | C21 | H6 | 120.0° | 120.1° |
| C21 | C16 | N1 | 118.5° | 120.2° |
| C21 | C16 | C17 | 119.3° | 119.7° |
| C16 | C21 | H6 | 120.0° | 120.1° |
| N1 | C16 | C17 | 122.3° | 120.1° |
| C20 | C19 | C18 | 119.9° | 120.3° |
| C20 | C19 | H4 | 120.1° | 119.8° |
| C19 | C20 | H5 | 119.8° | 119.9° |
| C16 | C17 | C18 | 120.1° | 119.8° |
| C16 | C17 | H13 | 120.0° | 120.1° |
| C19 | C18 | C17 | 120.4° | 120.2° |
| C19 | C18 | H3 | 119.8° | 119.9° |
| C18 | C19 | H4 | 120.1° | 119.8° |
| C17 | C18 | H3 | 119.8° | 119.9° |
| C18 | C17 | H13 | 120.0° | 120.1° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H15 | C26 | H17 | 109.5° | 109.4° |
| H16 | C26 | H17 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.4° | 109.5° |
| H18 | C29 | H20 | 109.5° | 109.4° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.4° |
| H21 | C3 | H23 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.5° |
| H25 | C33 | H27 | 109.5° | 109.4° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H29 | C35 | H30 | 109.5° | 109.5° |
| H29 | C35 | H31 | 109.5° | 109.5° |
| H30 | C35 | H31 | 109.4° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.4° |
| H35 | C39 | H36 | 109.5° | 109.5° |
| H37 | C4 | H38 | 109.5° | 109.2° |
| H39 | C40 | H40 | 109.5° | 109.5° |
| H41 | C41 | H42 | 109.4° | 109.4° |
| H43 | C42 | H44 | 109.5° | 109.5° |
| H45 | C43 | H46 | 109.5° | 109.5° |
| H47 | C44 | H48 | 109.5° | 109.5° |
| H47 | C44 | H49 | 109.4° | 109.5° |
| H48 | C44 | H49 | 109.5° | 109.5° |
| H52 | C7 | H53 | 109.5° | 109.5° |
| H54 | C8 | H55 | 109.5° | 109.5° |
| H56 | C9 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C43 | C42 | H45 | 120.5° | 119.9° |
| C44 | C43 | C42 | H46 | 120.5° | 120.0° |
| C44 | C43 | C42 | C41 | 176.3° | 180.0° |
| C44 | C43 | C42 | H43 | 55.6° | 60.0° |
| C44 | C43 | C42 | H44 | 63.1° | 60.0° |
| C44 | C43 | H45 | H46 | 118.3° | 120.0° |
| C43 | C44 | H47 | H48 | 120.0° | 120.0° |
| C43 | C44 | H47 | H49 | 120.0° | 120.0° |
| C43 | C44 | H48 | H49 | 120.0° | 120.1° |
| C43 | C42 | C41 | H43 | 120.7° | 120.0° |
| C43 | C42 | C41 | H44 | 120.6° | 120.0° |
| C43 | C42 | C41 | C40 | 174.0° | 180.0° |
| C43 | C42 | C41 | H41 | 65.3° | 60.0° |
| C43 | C42 | C41 | H42 | 53.3° | 60.0° |
| C43 | C42 | H43 | H44 | 118.0° | 120.1° |
| C42 | C43 | H45 | H46 | 118.3° | 120.1° |
| C42 | C43 | C44 | H47 | 180.0° | 180.0° |
| C42 | C43 | C44 | H48 | 60.0° | 60.1° |
| C42 | C43 | C44 | H49 | 60.0° | 60.0° |
| C42 | C41 | C40 | H41 | 120.7° | 120.0° |
| C42 | C41 | C40 | H42 | 120.7° | 120.1° |
| C42 | C41 | C40 | C39 | 71.2° | 180.0° |
| C42 | C41 | C40 | H39 | 168.0° | 60.0° |
| C42 | C41 | C40 | H40 | 49.6° | 60.0° |
| C42 | C41 | H41 | H42 | 117.8° | 120.0° |
| C41 | C42 | H43 | H44 | 118.0° | 119.9° |
| C41 | C42 | C43 | H45 | 63.2° | 60.1° |
| C41 | C42 | C43 | H46 | 55.7° | 60.0° |
| C41 | C40 | C39 | H39 | 120.7° | 120.0° |
| C41 | C40 | C39 | H40 | 120.8° | 120.0° |
| C41 | C40 | C39 | C38 | 173.7° | 180.0° |
| C41 | C40 | C39 | H35 | 65.7° | 60.0° |
| C41 | C40 | C39 | H36 | 53.1° | 60.0° |
| C41 | C40 | H39 | H40 | 117.7° | 120.0° |
| C40 | C41 | H41 | H42 | 117.9° | 119.9° |
| C40 | C41 | C42 | H43 | 53.3° | 60.0° |
| C40 | C41 | C42 | H44 | 65.4° | 60.0° |
| C33 | C32 | C34 | C31 | 179.9° | 180.0° |
| C33 | C32 | C34 | C35 | 180.0° | 180.0° |
| C33 | C32 | C31 | O9 | 46.3° | 180.0° |
| C33 | C32 | C31 | O8 | 131.1° | 0.0° |
| C32 | C33 | H25 | H26 | 120.0° | 120.1° |
| C32 | C33 | H25 | H27 | 120.0° | 120.0° |
| C32 | C33 | H26 | H27 | 120.0° | 120.0° |
| C33 | C32 | C34 | H28 | 0.0° | 0.0° |
| C40 | C39 | C38 | H35 | 120.6° | 120.0° |
| C40 | C39 | C38 | H36 | 120.6° | 120.0° |
| C40 | C39 | C38 | C37 | 67.9° | 180.0° |
| C40 | C39 | C38 | H33 | 52.8° | 60.0° |
| C40 | C39 | C38 | H34 | 171.5° | 60.0° |
| C40 | C39 | H35 | H36 | 118.2° | 120.0° |
| C39 | C40 | H39 | H40 | 117.6° | 120.0° |
| C39 | C40 | C41 | H41 | 49.5° | 59.9° |
| C39 | C40 | C41 | H42 | 168.1° | 60.0° |
| C32 | C34 | C35 | H28 | 180.0° | 180.0° |
| C34 | C32 | C31 | O9 | 133.8° | 0.0° |
| C34 | C32 | C31 | O8 | 48.8° | 180.0° |
| C34 | C32 | C33 | H25 | 180.0° | 90.0° |
| C34 | C32 | C33 | H26 | 60.0° | 150.0° |
| C34 | C32 | C33 | H27 | 60.0° | 30.0° |
| C32 | C34 | C35 | H29 | 180.0° | 180.0° |
| C32 | C34 | C35 | H30 | 60.0° | 60.0° |
| C32 | C34 | C35 | H31 | 60.0° | 60.0° |
| C31 | C32 | C34 | C35 | 0.1° | 0.0° |
| C32 | C31 | O9 | O8 | 177.2° | 180.0° |
| C32 | C31 | O8 | C30 | 163.7° | 180.0° |
| C31 | C32 | C33 | H25 | 0.1° | 90.0° |
| C31 | C32 | C33 | H26 | 119.9° | 30.0° |
| C31 | C32 | C33 | H27 | 120.1° | 150.0° |
| C31 | C32 | C34 | H28 | 179.9° | 180.0° |
| C34 | C35 | H29 | H30 | 120.0° | 120.0° |
| C34 | C35 | H29 | H31 | 120.0° | 120.0° |
| C34 | C35 | H30 | H31 | 120.0° | 120.0° |
| C39 | C38 | C37 | O11 | 33.8° | 0.0° |
| C39 | C38 | C37 | H33 | 120.7° | 120.0° |
| C39 | C38 | C37 | H34 | 120.7° | 120.1° |
| C39 | C38 | C37 | O10 | 145.9° | 180.0° |
| C39 | C38 | H33 | H34 | 117.9° | 120.0° |
| C38 | C39 | H35 | H36 | 118.2° | 120.0° |
| C38 | C39 | C40 | H39 | 53.0° | 60.0° |
| C38 | C39 | C40 | H40 | 65.5° | 60.0° |
| O9 | C31 | O8 | C30 | 13.8° | 0.0° |
| C31 | O8 | C30 | C36 | 113.7° | 150.0° |
| C31 | O8 | C30 | C28 | 130.1° | 93.1° |
| C31 | O8 | C30 | H24 | 8.6° | 28.4° |
| O11 | C37 | C38 | O10 | 179.7° | 180.0° |
| O11 | C37 | O10 | C36 | 2.8° | 0.0° |
| O11 | C37 | C38 | H33 | 86.8° | 120.0° |
| O11 | C37 | C38 | H34 | 154.5° | 120.1° |
| C38 | C37 | O10 | C36 | 176.9° | 180.0° |
| C37 | C38 | H33 | H34 | 117.9° | 120.0° |
| C37 | C38 | C39 | H35 | 171.5° | 60.0° |
| C37 | C38 | C39 | H36 | 52.7° | 60.0° |
| C37 | O10 | C36 | C30 | 108.2° | 91.5° |
| C37 | O10 | C36 | C45 | 132.4° | 155.2° |
| C37 | O10 | C36 | H32 | 11.3° | 31.9° |
| O10 | C37 | C38 | H33 | 93.4° | 60.0° |
| O10 | C37 | C38 | H34 | 25.2° | 59.9° |
| O8 | C30 | C36 | O10 | 118.1° | 115.8° |
| O8 | C30 | C36 | C28 | 117.7° | 119.1° |
| O8 | C30 | C36 | H24 | 123.1° | 121.6° |
| O8 | C30 | C28 | H24 | 122.0° | 121.5° |
| O8 | C30 | C36 | C45 | 119.1° | 126.0° |
| O8 | C30 | C28 | C29 | 59.7° | 58.7° |
| O8 | C30 | C28 | C27 | 120.2° | 121.3° |
| O8 | C30 | C36 | H32 | 2.1° | 7.5° |
| O10 | C36 | C30 | C45 | 122.8° | 118.2° |
| O10 | C36 | C30 | H32 | 120.2° | 123.3° |
| O10 | C36 | C30 | C28 | 124.2° | 125.1° |
| O10 | C36 | C45 | H32 | 121.9° | 123.3° |
| O10 | C36 | C45 | C1 | 113.4° | 95.1° |
| O10 | C36 | C45 | C27 | 122.0° | 127.5° |
| O10 | C36 | C30 | H24 | 4.9° | 5.8° |
| O10 | C36 | C45 | H50 | 5.2° | 19.3° |
| C3 | C2 | O | O1 | 179.8° | 179.9° |
| C3 | C2 | O | C1 | 179.6° | 180.0° |
| C2 | C3 | H21 | H22 | 120.0° | 120.0° |
| C2 | C3 | H21 | H23 | 120.0° | 120.0° |
| C2 | C3 | H22 | H23 | 120.0° | 120.0° |
| C36 | C30 | C28 | H24 | 119.0° | 119.3° |
| C30 | C36 | C45 | H32 | 117.1° | 118.4° |
| C36 | C30 | C28 | C29 | 178.7° | 177.9° |
| C36 | C30 | C28 | C27 | 1.3° | 2.1° |
| C30 | C36 | C45 | C1 | 125.6° | 146.6° |
| C30 | C36 | C45 | C27 | 1.0° | 9.2° |
| C30 | C36 | C45 | H50 | 115.8° | 98.9° |
| C28 | C30 | C36 | C45 | 1.4° | 6.9° |
| C30 | C28 | C29 | C27 | 180.0° | 180.0° |
| C30 | C28 | C27 | C45 | 0.6° | 4.0° |
| C30 | C28 | C27 | C23 | 179.5° | 174.5° |
| C30 | C28 | C29 | H18 | 180.0° | 90.0° |
| C30 | C28 | C29 | H19 | 60.0° | 30.0° |
| C30 | C28 | C29 | H20 | 60.0° | 150.1° |
| C28 | C30 | C36 | H32 | 115.6° | 111.5° |
| C36 | C45 | C1 | O | 46.7° | 24.6° |
| C36 | C45 | C27 | C28 | 0.2° | 8.6° |
| C36 | C45 | C1 | C | 64.1° | 93.2° |
| C36 | C45 | C1 | C27 | 114.6° | 133.3° |
| C36 | C45 | C1 | H50 | 118.7° | 114.1° |
| C36 | C45 | C27 | H50 | 116.5° | 108.6° |
| C36 | C45 | C1 | C4 | 170.2° | 145.7° |
| C36 | C45 | C27 | C23 | 178.7° | 170.0° |
| C45 | C36 | C30 | H24 | 117.8° | 112.4° |
| C2 | O | C1 | C | 63.2° | 60.0° |
| C2 | O | C1 | C45 | 178.9° | 177.8° |
| C2 | O | C1 | C4 | 56.2° | 57.8° |
| O | C2 | C3 | H21 | 179.8° | 0.0° |
| O | C2 | C3 | H22 | 60.1° | 120.0° |
| O | C2 | C3 | H23 | 59.8° | 120.0° |
| O1 | C2 | O | C1 | 0.3° | 0.0° |
| O1 | C2 | C3 | H21 | 0.0° | 179.9° |
| O1 | C2 | C3 | H22 | 120.0° | 60.0° |
| O1 | C2 | C3 | H23 | 120.0° | 60.1° |
| O | C1 | C | C45 | 112.7° | 117.8° |
| O | C1 | C | C4 | 120.0° | 117.9° |
| O | C1 | C45 | C4 | 123.5° | 121.1° |
| O | C1 | C45 | C27 | 161.3° | 157.9° |
| O | C1 | C4 | C5 | 174.1° | 163.2° |
| O | C1 | C | H8 | 180.0° | 70.6° |
| O | C1 | C | H9 | 60.0° | 169.4° |
| O | C1 | C | H10 | 60.0° | 49.4° |
| O | C1 | C4 | H37 | 64.0° | 42.8° |
| O | C1 | C4 | H38 | 52.2° | 76.5° |
| O | C1 | C45 | H50 | 72.0° | 89.5° |
| C29 | C28 | C27 | C45 | 179.3° | 176.0° |
| C29 | C28 | C27 | C23 | 0.5° | 5.5° |
| C28 | C29 | H18 | H19 | 120.0° | 120.0° |
| C28 | C29 | H18 | H20 | 120.0° | 119.9° |
| C28 | C29 | H19 | H20 | 120.0° | 120.0° |
| C29 | C28 | C30 | H24 | 62.3° | 62.8° |
| C28 | C27 | C45 | C1 | 117.3° | 146.7° |
| C28 | C27 | C45 | C23 | 178.9° | 178.6° |
| C28 | C27 | C23 | O5 | 57.2° | 26.7° |
| C28 | C27 | C23 | C22 | 176.2° | 144.2° |
| C28 | C27 | C23 | H14 | 61.8° | 96.2° |
| C27 | C28 | C29 | H18 | 0.0° | 90.0° |
| C27 | C28 | C29 | H19 | 120.0° | 150.0° |
| C27 | C28 | C29 | H20 | 120.0° | 29.9° |
| C27 | C28 | C30 | H24 | 117.7° | 117.2° |
| C28 | C27 | C45 | H50 | 116.3° | 100.0° |
| C | C1 | C45 | C4 | 125.7° | 121.1° |
| C | C1 | C45 | C27 | 50.5° | 40.1° |
| C | C1 | C4 | C5 | 71.3° | 45.4° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 119.9° |
| C | C1 | C4 | H37 | 50.7° | 75.0° |
| C | C1 | C4 | H38 | 166.8° | 165.7° |
| C | C1 | C45 | H50 | 177.2° | 152.7° |
| C1 | C45 | C27 | H50 | 126.4° | 113.3° |
| C1 | C45 | C27 | C23 | 61.6° | 31.9° |
| C45 | C1 | C4 | C5 | 53.8° | 75.7° |
| C45 | C1 | C | H8 | 67.3° | 171.7° |
| C45 | C1 | C | H9 | 52.7° | 51.6° |
| C45 | C1 | C | H10 | 172.7° | 68.4° |
| C1 | C45 | C36 | H32 | 8.5° | 28.3° |
| C45 | C1 | C4 | H37 | 175.8° | 163.9° |
| C45 | C1 | C4 | H38 | 68.1° | 44.6° |
| C27 | C45 | C1 | C4 | 75.2° | 81.0° |
| C45 | C27 | C23 | O5 | 124.0° | 154.9° |
| C45 | C27 | C23 | C22 | 5.0° | 37.4° |
| C45 | C27 | C23 | H14 | 117.0° | 82.2° |
| C27 | C45 | C36 | H32 | 116.1° | 109.2° |
| C1 | C4 | C5 | H37 | 121.9° | 120.3° |
| C1 | C4 | C5 | H38 | 121.9° | 120.3° |
| C1 | C4 | C5 | O2 | 65.3° | 56.6° |
| C1 | C4 | C5 | C22 | 52.8° | 64.2° |
| C4 | C1 | C | H8 | 60.0° | 47.3° |
| C4 | C1 | C | H9 | 180.0° | 72.8° |
| C4 | C1 | C | H10 | 60.0° | 167.3° |
| C1 | C4 | H37 | H38 | 113.6° | 119.3° |
| C4 | C1 | C45 | H50 | 51.5° | 31.6° |
| C1 | C4 | C5 | H51 | 175.0° | 175.1° |
| C27 | C23 | O5 | C22 | 128.2° | 120.0° |
| C27 | C23 | O5 | H14 | 118.5° | 122.3° |
| C27 | C23 | C22 | H14 | 122.2° | 118.9° |
| C27 | C23 | O5 | C24 | 157.2° | 157.1° |
| C27 | C23 | C22 | C5 | 67.9° | 86.1° |
| C27 | C23 | C22 | O4 | 54.2° | 34.2° |
| C27 | C23 | C22 | C25 | 168.0° | 147.6° |
| C23 | C27 | C45 | H50 | 64.8° | 81.4° |
| C4 | C5 | C22 | C23 | 74.3° | 84.0° |
| C4 | C5 | O2 | C22 | 123.2° | 122.8° |
| C4 | C5 | O2 | H51 | 119.1° | 118.6° |
| C4 | C5 | O2 | C6 | 122.0° | 90.0° |
| C4 | C5 | C22 | H51 | 122.3° | 120.7° |
| C4 | C5 | C22 | O4 | 53.0° | 36.1° |
| C4 | C5 | C22 | C25 | 171.6° | 156.6° |
| C5 | C4 | H37 | H38 | 113.6° | 119.4° |
| O5 | C23 | C22 | H14 | 114.1° | 117.8° |
| O5 | C23 | C22 | C5 | 168.3° | 150.6° |
| O5 | C23 | C22 | O4 | 69.5° | 89.1° |
| O5 | C23 | C22 | C25 | 44.3° | 24.3° |
| C23 | O5 | C24 | C25 | 0.5° | 33.7° |
| C23 | O5 | C24 | O7 | 179.3° | 147.0° |
| C22 | C23 | O5 | C24 | 29.0° | 37.1° |
| C23 | C22 | C5 | O2 | 44.9° | 36.7° |
| C23 | C22 | C5 | O4 | 127.3° | 120.2° |
| C23 | C22 | C5 | C25 | 114.1° | 119.3° |
| C23 | C22 | O4 | C25 | 107.6° | 110.0° |
| C23 | C22 | C25 | C24 | 42.1° | 5.6° |
| C23 | C22 | C25 | O6 | 69.9° | 113.0° |
| C23 | C22 | C25 | C26 | 163.5° | 124.2° |
| C23 | C22 | C5 | H51 | 163.4° | 155.3° |
| C23 | C22 | O4 | H59 | 180.0° | 171.5° |
| O5 | C24 | C25 | C22 | 28.0° | 17.0° |
| O5 | C24 | C25 | O7 | 179.7° | 179.3° |
| O5 | C24 | C25 | O6 | 88.1° | 135.5° |
| O5 | C24 | C25 | C26 | 151.0° | 101.6° |
| C24 | O5 | C23 | H14 | 84.2° | 80.6° |
| O2 | C5 | C22 | H51 | 118.5° | 118.6° |
| O2 | C5 | C22 | O4 | 172.2° | 156.9° |
| O2 | C5 | C22 | C25 | 69.2° | 82.6° |
| C5 | O2 | C6 | C7 | 178.4° | 180.0° |
| C5 | O2 | C6 | O3 | 1.6° | 0.0° |
| O2 | C5 | C4 | H37 | 56.6° | 63.7° |
| O2 | C5 | C4 | H38 | 172.8° | 176.9° |
| C6 | O2 | C5 | C22 | 114.9° | 147.2° |
| O2 | C6 | C7 | O3 | 179.9° | 180.0° |
| O2 | C6 | C7 | C8 | 120.7° | 180.0° |
| C6 | O2 | C5 | H51 | 2.8° | 28.6° |
| O2 | C6 | C7 | H52 | 0.0° | 60.0° |
| O2 | C6 | C7 | H53 | 118.6° | 60.0° |
| C5 | C22 | O4 | C25 | 123.8° | 125.3° |
| C5 | C22 | C25 | C24 | 166.7° | 131.6° |
| C5 | C22 | C25 | O6 | 54.7° | 12.9° |
| C5 | C22 | C25 | C26 | 72.0° | 109.9° |
| C5 | C22 | C23 | H14 | 54.2° | 32.8° |
| C22 | C5 | C4 | H37 | 174.8° | 175.5° |
| C22 | C5 | C4 | H38 | 69.1° | 56.2° |
| C5 | C22 | O4 | H59 | 51.4° | 63.8° |
| O4 | C22 | C25 | C24 | 76.9° | 107.8° |
| O4 | C22 | C25 | O6 | 171.2° | 133.6° |
| O4 | C22 | C25 | C26 | 44.5° | 10.8° |
| O4 | C22 | C23 | H14 | 176.3° | 153.2° |
| O4 | C22 | C5 | H51 | 69.3° | 84.6° |
| C22 | C25 | C24 | O6 | 116.1° | 118.6° |
| C22 | C25 | C24 | C26 | 123.0° | 118.6° |
| C22 | C25 | C24 | O7 | 152.2° | 163.7° |
| C22 | C25 | O6 | C26 | 129.6° | 122.8° |
| C25 | C22 | C23 | H14 | 69.9° | 93.5° |
| C22 | C25 | C26 | H15 | 180.0° | 60.0° |
| C22 | C25 | C26 | H16 | 60.0° | 180.0° |
| C22 | C25 | C26 | H17 | 60.0° | 59.9° |
| C25 | C22 | C5 | H51 | 49.3° | 35.9° |
| C25 | C22 | O4 | H59 | 72.4° | 61.5° |
| C22 | C25 | O6 | H60 | 180.0° | 179.9° |
| C6 | C7 | C8 | H52 | 120.7° | 120.0° |
| C6 | C7 | C8 | H53 | 120.7° | 119.9° |
| C6 | C7 | C8 | C9 | 170.0° | 180.0° |
| C6 | C7 | H52 | H53 | 117.9° | 120.0° |
| C6 | C7 | C8 | H54 | 69.6° | 60.0° |
| C6 | C7 | C8 | H55 | 49.5° | 60.0° |
| C7 | C8 | C9 | H54 | 120.5° | 120.0° |
| C7 | C8 | C9 | H55 | 120.4° | 120.0° |
| C7 | C8 | C9 | C10 | 168.2° | 180.0° |
| C8 | C7 | C6 | O3 | 59.2° | 0.0° |
| C8 | C7 | H52 | H53 | 117.9° | 120.0° |
| C7 | C8 | H54 | H55 | 118.6° | 120.1° |
| C7 | C8 | C9 | H56 | 70.9° | 60.0° |
| C7 | C8 | C9 | H57 | 47.2° | 60.0° |
| C8 | C9 | C10 | H56 | 121.0° | 119.9° |
| C8 | C9 | C10 | H57 | 120.9° | 120.0° |
| C8 | C9 | C10 | C15 | 127.1° | 90.3° |
| C8 | C9 | C10 | C11 | 55.6° | 90.0° |
| C9 | C8 | C7 | H52 | 49.3° | 60.0° |
| C9 | C8 | C7 | H53 | 69.3° | 60.1° |
| C9 | C8 | H54 | H55 | 118.7° | 120.0° |
| C8 | C9 | H56 | H57 | 117.0° | 120.0° |
| C9 | C10 | C15 | C11 | 177.4° | 179.7° |
| C9 | C10 | C15 | C14 | 170.4° | 179.7° |
| C9 | C10 | C11 | C12 | 170.3° | 179.8° |
| C9 | C10 | C11 | H1 | 9.7° | 0.3° |
| C9 | C10 | C15 | H12 | 9.6° | 0.3° |
| C10 | C9 | C8 | H54 | 47.7° | 60.0° |
| C10 | C9 | C8 | H55 | 71.4° | 60.0° |
| C10 | C9 | H56 | H57 | 117.1° | 120.0° |
| O3 | C6 | C7 | H52 | 179.9° | 120.0° |
| O3 | C6 | C7 | H53 | 61.5° | 119.9° |
| C24 | C25 | O6 | C26 | 123.1° | 122.8° |
| C24 | C25 | C26 | H15 | 66.6° | 54.4° |
| C24 | C25 | C26 | H16 | 173.4° | 65.6° |
| C24 | C25 | C26 | H17 | 53.4° | 174.3° |
| C24 | C25 | O6 | H60 | 72.7° | 65.6° |
| O7 | C24 | C25 | O6 | 91.6° | 45.2° |
| O7 | C24 | C25 | C26 | 29.3° | 77.7° |
| C10 | C15 | C14 | H12 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 2.3° | 0.0° |
| C15 | C10 | C11 | C12 | 7.0° | 0.1° |
| C15 | C10 | C11 | H1 | 173.0° | 180.0° |
| C10 | C15 | C14 | H11 | 177.6° | 180.0° |
| C15 | C10 | C9 | H56 | 6.1° | 29.7° |
| C15 | C10 | C9 | H57 | 112.0° | 149.7° |
| C14 | C15 | C10 | C11 | 7.0° | 0.0° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 2.4° | 0.0° |
| C15 | C14 | C13 | N | 173.6° | 180.0° |
| O6 | C25 | C26 | H15 | 52.4° | 177.2° |
| O6 | C25 | C26 | H16 | 67.6° | 57.3° |
| O6 | C25 | C26 | H17 | 172.4° | 62.8° |
| C25 | C26 | H15 | H16 | 120.0° | 120.0° |
| C25 | C26 | H15 | H17 | 120.0° | 120.0° |
| C25 | C26 | H16 | H17 | 120.0° | 120.0° |
| C26 | C25 | O6 | H60 | 50.4° | 57.2° |
| C10 | C11 | C12 | H1 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 2.4° | 0.1° |
| C10 | C11 | C12 | H2 | 177.6° | 180.0° |
| C11 | C10 | C15 | H12 | 173.0° | 180.0° |
| C11 | C10 | C9 | H56 | 176.6° | 150.0° |
| C11 | C10 | C9 | H57 | 65.3° | 30.0° |
| C14 | C13 | C12 | C11 | 2.4° | 0.0° |
| C14 | C13 | C12 | N | 175.7° | 179.9° |
| C14 | C13 | N | N1 | 174.2° | 0.0° |
| C14 | C13 | C12 | H2 | 177.6° | 180.0° |
| C13 | C14 | C15 | H12 | 177.7° | 180.0° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | N | 173.3° | 179.9° |
| C12 | C13 | N | N1 | 1.5° | 180.0° |
| C13 | C12 | C11 | H1 | 177.6° | 180.0° |
| C12 | C13 | C14 | H11 | 177.6° | 180.0° |
| C13 | N | N1 | C16 | 170.4° | 179.9° |
| N | C13 | C12 | H2 | 6.7° | 0.0° |
| N | C13 | C14 | H11 | 6.4° | 0.1° |
| N | N1 | C16 | C21 | 0.1° | 180.0° |
| N | N1 | C16 | C17 | 179.9° | 0.3° |
| C20 | C21 | C16 | H6 | 180.0° | 180.0° |
| C20 | C21 | C16 | N1 | 179.8° | 180.0° |
| C21 | C20 | C19 | H5 | 180.0° | 180.0° |
| C20 | C21 | C16 | C17 | 0.2° | 0.3° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C21 | C20 | C19 | H4 | 179.8° | 180.0° |
| C21 | C16 | N1 | C17 | 180.0° | 179.7° |
| C16 | C21 | C20 | C19 | 0.0° | 0.0° |
| C21 | C16 | C17 | C18 | 0.3° | 0.5° |
| C16 | C21 | C20 | H5 | 179.9° | 180.0° |
| C21 | C16 | C17 | H13 | 179.7° | 180.0° |
| N1 | C16 | C17 | C18 | 179.7° | 179.8° |
| N1 | C16 | C21 | H6 | 0.2° | 0.1° |
| N1 | C16 | C17 | H13 | 0.3° | 0.3° |
| C20 | C19 | C18 | H4 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.3° |
| C20 | C19 | C18 | H3 | 179.9° | 180.0° |
| C19 | C20 | C21 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.5° |
| C16 | C17 | C18 | H13 | 180.0° | 179.5° |
| C16 | C17 | C18 | H3 | 179.9° | 179.8° |
| C17 | C16 | C21 | H6 | 179.8° | 179.8° |
| C19 | C18 | C17 | H3 | 180.0° | 179.7° |
| C18 | C19 | C20 | H5 | 179.8° | 180.0° |
| C19 | C18 | C17 | H13 | 179.9° | 180.0° |
| C17 | C18 | C19 | H4 | 179.9° | 179.8° |
| H1 | C11 | C12 | H2 | 2.4° | 0.1° |
| H3 | C18 | C19 | H4 | 0.1° | 0.1° |
| H3 | C18 | C17 | H13 | 0.1° | 0.2° |
| H4 | C19 | C20 | H5 | 0.3° | 0.0° |
| H5 | C20 | C21 | H6 | 0.0° | 0.0° |
| H8 | C | H9 | H10 | 120.0° | 120.1° |
| H11 | C14 | C15 | H12 | 2.4° | 0.1° |
| H15 | C26 | H16 | H17 | 120.0° | 120.0° |
| H18 | C29 | H19 | H20 | 120.0° | 120.0° |
| H21 | C3 | H22 | H23 | 120.0° | 120.0° |
| H24 | C30 | C36 | H32 | 125.1° | 129.1° |
| H25 | C33 | H26 | H27 | 120.0° | 119.9° |
| H28 | C34 | C35 | H29 | 0.0° | 0.0° |
| H28 | C34 | C35 | H30 | 120.0° | 120.0° |
| H28 | C34 | C35 | H31 | 120.1° | 120.0° |
| H29 | C35 | H30 | H31 | 120.0° | 120.0° |
| H32 | C36 | C45 | H50 | 127.1° | 142.7° |
| H33 | C38 | C39 | H35 | 67.8° | NaN° |
| H33 | C38 | C39 | H36 | 173.4° | 60.0° |
| H34 | C38 | C39 | H35 | 50.8° | 60.1° |
| H34 | C38 | C39 | H36 | 68.0° | 180.0° |
| H35 | C39 | C40 | H39 | 173.5° | 180.0° |
| H35 | C39 | C40 | H40 | 55.1° | 60.0° |
| H36 | C39 | C40 | H39 | 67.6° | 60.0° |
| H36 | C39 | C40 | H40 | 173.9° | 180.0° |
| H37 | C4 | C5 | H51 | 63.1° | 54.8° |
| H38 | C4 | C5 | H51 | 53.1° | 64.6° |
| H39 | C40 | C41 | H41 | 71.3° | 180.0° |
| H39 | C40 | C41 | H42 | 47.3° | 60.1° |
| H40 | C40 | C41 | H41 | 170.3° | 60.1° |
| H40 | C40 | C41 | H42 | 71.2° | 180.0° |
| H41 | C41 | C42 | H43 | 174.1° | 180.0° |
| H41 | C41 | C42 | H44 | 55.4° | 60.0° |
| H42 | C41 | C42 | H43 | 67.4° | 60.0° |
| H42 | C41 | C42 | H44 | 173.9° | 180.0° |
| H43 | C42 | C43 | H45 | 176.2° | 180.0° |
| H43 | C42 | C43 | H46 | 64.9° | 60.0° |
| H44 | C42 | C43 | H45 | 57.4° | 59.9° |
| H44 | C42 | C43 | H46 | 176.3° | 180.0° |
| H45 | C43 | C44 | H47 | 59.5° | 60.0° |
| H45 | C43 | C44 | H48 | 60.5° | 180.0° |
| H45 | C43 | C44 | H49 | 179.5° | 59.9° |
| H46 | C43 | C44 | H47 | 59.4° | 60.0° |
| H46 | C43 | C44 | H48 | 179.4° | 60.0° |
| H46 | C43 | C44 | H49 | 60.6° | 180.0° |
| H47 | C44 | H48 | H49 | 120.0° | 120.0° |
| H52 | C7 | C8 | H54 | 169.7° | 179.9° |
| H52 | C7 | C8 | H55 | 71.1° | 60.0° |
| H53 | C7 | C8 | H54 | 51.1° | 59.9° |
| H53 | C7 | C8 | H55 | 170.2° | 180.0° |
| H54 | C8 | C9 | H56 | 168.7° | 59.9° |
| H54 | C8 | C9 | H57 | 73.3° | 180.0° |
| H55 | C8 | C9 | H56 | 49.5° | 180.0° |
| H55 | C8 | C9 | H57 | 167.6° | 60.0° |
