XT2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C44 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | C8 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C12 | O6 | sing | 1.43Å | 1.44Å | |
| O6 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | O7 | sing | 1.44Å | 1.43Å | |
| C16 | O7 | sing | 1.44Å | 1.43Å | |
| C8 | C9 | sing | 1.50Å | 1.39Å | |
| O8 | C23 | sing | 1.43Å | 1.44Å | |
| O8 | C19 | sing | 1.42Å | 1.43Å | |
| C9 | C10 | doub | 1.30Å | 1.39Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | O9 | sing | 1.43Å | 1.44Å | |
| C22 | O9 | sing | 1.43Å | 1.44Å | |
| C11 | C10 | sing | 1.50Å | 1.53Å | |
| C10 | C43 | sing | 1.51Å | 1.53Å | |
| O10 | C24 | sing | 1.43Å | 1.43Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C27 | O11 | sing | 1.43Å | 1.43Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C30 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | C42 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | O13 | sing | 1.43Å | 1.44Å | |
| O13 | C34 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | doub | 1.31Å | 1.39Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.51Å | 1.39Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.55Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.52Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | C25 | doub | 1.31Å | 1.39Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C40 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C45 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C41 | H41A | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C2 | 117.1° | 120.0° |
| O2 | C1 | O1 | 125.6° | 120.0° |
| C2 | C1 | O1 | 117.3° | 120.0° |
| C1 | C2 | C44 | 109.2° | 109.5° |
| C1 | C2 | C3 | 109.3° | 109.5° |
| C1 | C2 | O3 | 109.3° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| C44 | C2 | C3 | 109.4° | 109.5° |
| C44 | C2 | O3 | 110.1° | 109.4° |
| C2 | C44 | H44 | 109.5° | 109.5° |
| C2 | C44 | H44A | 109.5° | 109.5° |
| C2 | C44 | H44B | 109.5° | 109.4° |
| C3 | C2 | O3 | 109.5° | 109.5° |
| C2 | C3 | C4 | 111.5° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H3A | 108.8° | 109.4° |
| C2 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C4 | C3 | H3A | 108.8° | 109.4° |
| C3 | C4 | C5 | 106.9° | 109.5° |
| C3 | C4 | O4 | 110.7° | 109.5° |
| C3 | C4 | H4 | 110.8° | 109.5° |
| H3 | C3 | H3A | 110.2° | 109.5° |
| C5 | C4 | O4 | 110.8° | 109.4° |
| C5 | C4 | H4 | 110.7° | 109.5° |
| C4 | C5 | C6 | 109.8° | 109.2° |
| C4 | C5 | H5 | 109.4° | 109.5° |
| C4 | C5 | H5A | 109.4° | 109.5° |
| O4 | C4 | H4 | 106.9° | 109.5° |
| C4 | O4 | C8 | 114.7° | 114.1° |
| O4 | C8 | O6 | 111.5° | 109.2° |
| O4 | C8 | C7 | 110.2° | 109.2° |
| O4 | C8 | C9 | 107.0° | 109.6° |
| C6 | C5 | H5 | 109.4° | 109.5° |
| C6 | C5 | H5A | 109.4° | 109.5° |
| C5 | C6 | C7 | 109.1° | 109.0° |
| C5 | C6 | H6 | 109.6° | 109.6° |
| C5 | C6 | H6A | 109.6° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| C7 | O5 | HO5 | 109.5° | 114.0° |
| O5 | C7 | C6 | 108.6° | 109.5° |
| O5 | C7 | C8 | 108.8° | 109.5° |
| O5 | C7 | H7 | 110.8° | 109.5° |
| C7 | C6 | H6 | 109.6° | 109.6° |
| C7 | C6 | H6A | 109.6° | 109.5° |
| C6 | C7 | C8 | 110.5° | 109.2° |
| C6 | C7 | H7 | 109.1° | 109.5° |
| H6 | C6 | H6A | 109.3° | 109.6° |
| C12 | O6 | C8 | 114.2° | 113.0° |
| O6 | C12 | C11 | 107.4° | 108.4° |
| O6 | C12 | C13 | 112.3° | 109.7° |
| O6 | C12 | H12 | 108.1° | 109.7° |
| O6 | C8 | C7 | 108.1° | 109.2° |
| O6 | C8 | C9 | 112.7° | 110.0° |
| C8 | C7 | H7 | 108.9° | 109.6° |
| C7 | C8 | C9 | 107.3° | 109.6° |
| C19 | O7 | C16 | 101.6° | 107.0° |
| O7 | C19 | O8 | 110.4° | 110.7° |
| O7 | C19 | C18 | 101.2° | 104.2° |
| O7 | C19 | C20 | 109.0° | 110.5° |
| O7 | C16 | C15 | 107.6° | 109.9° |
| O7 | C16 | C17 | 102.9° | 107.4° |
| O7 | C16 | H16 | 117.1° | 109.9° |
| C8 | C9 | C10 | 122.5° | 122.9° |
| C8 | C9 | H9 | 118.8° | 118.5° |
| C23 | O8 | C19 | 112.6° | 114.2° |
| O8 | C23 | C22 | 112.8° | 109.3° |
| O8 | C23 | C24 | 109.4° | 109.3° |
| O8 | C23 | H23 | 106.3° | 109.6° |
| O8 | C19 | C18 | 110.7° | 110.1° |
| O8 | C19 | C20 | 111.0° | 111.2° |
| C10 | C9 | H9 | 118.8° | 118.6° |
| C9 | C10 | C11 | 120.3° | 122.6° |
| C9 | C10 | C43 | 119.5° | 118.7° |
| C26 | O9 | C22 | 115.0° | 114.0° |
| O9 | C26 | C25 | 110.8° | 108.4° |
| O9 | C26 | C27 | 111.8° | 109.7° |
| O9 | C26 | H26 | 106.4° | 109.7° |
| O9 | C22 | C21 | 109.2° | 109.6° |
| O9 | C22 | C23 | 111.1° | 109.7° |
| O9 | C22 | H22 | 108.7° | 109.5° |
| C11 | C10 | C43 | 120.2° | 118.7° |
| C10 | C11 | C12 | 110.9° | 109.6° |
| C10 | C11 | H11 | 109.0° | 109.5° |
| C10 | C11 | H11A | 109.0° | 109.5° |
| C10 | C43 | H43 | 109.5° | 109.5° |
| C10 | C43 | H43A | 109.5° | 109.5° |
| C10 | C43 | H43B | 109.5° | 109.5° |
| C24 | O10 | HO10 | 109.5° | 114.0° |
| O10 | C24 | C23 | 111.4° | 109.8° |
| O10 | C24 | C25 | 110.1° | 109.8° |
| O10 | C24 | H24 | 107.0° | 109.8° |
| C12 | C11 | H11 | 109.0° | 109.4° |
| C12 | C11 | H11A | 109.0° | 109.4° |
| C11 | C12 | C13 | 106.5° | 109.7° |
| C11 | C12 | H12 | 113.8° | 109.7° |
| H11 | C11 | H11A | 109.9° | 109.5° |
| C27 | O11 | HO11 | 109.5° | 114.0° |
| O11 | C27 | C26 | 109.9° | 109.5° |
| O11 | C27 | C28 | 111.0° | 109.5° |
| O11 | C27 | H27 | 108.3° | 109.4° |
| C13 | C12 | H12 | 108.9° | 109.7° |
| C12 | C13 | C14 | 112.3° | 109.5° |
| C12 | C13 | C42 | 110.6° | 109.5° |
| C12 | C13 | H13 | 106.6° | 109.5° |
| C34 | O12 | C30 | 112.6° | 114.1° |
| O12 | C34 | O13 | 110.1° | 109.5° |
| O12 | C34 | C33 | 109.8° | 109.5° |
| O12 | C34 | C35 | 109.4° | 109.5° |
| O12 | C30 | C29 | 111.0° | 109.5° |
| O12 | C30 | C31 | 110.0° | 109.4° |
| O12 | C30 | H30 | 108.2° | 109.5° |
| C14 | C13 | C42 | 109.1° | 109.5° |
| C14 | C13 | H13 | 108.2° | 109.5° |
| C13 | C14 | C15 | 119.1° | 120.0° |
| C13 | C14 | H14 | 120.4° | 120.0° |
| C42 | C13 | H13 | 110.0° | 109.4° |
| C13 | C42 | H42 | 109.5° | 109.5° |
| C13 | C42 | H42A | 109.5° | 109.5° |
| C13 | C42 | H42B | 109.5° | 109.5° |
| C38 | O13 | C34 | 111.5° | 114.1° |
| O13 | C38 | C37 | 110.5° | 109.4° |
| O13 | C38 | H38 | 109.1° | 109.5° |
| O13 | C38 | H38A | 109.2° | 109.5° |
| O13 | C34 | C33 | 109.2° | 109.5° |
| O13 | C34 | C35 | 109.5° | 109.4° |
| C15 | C14 | H14 | 120.5° | 120.0° |
| C14 | C15 | C16 | 123.5° | 120.0° |
| C14 | C15 | H15 | 118.3° | 120.0° |
| C16 | C15 | H15 | 118.3° | 120.0° |
| C15 | C16 | C17 | 115.6° | 109.9° |
| C15 | C16 | H16 | 104.7° | 109.8° |
| C17 | C16 | H16 | 109.3° | 110.0° |
| C16 | C17 | C18 | 103.3° | 104.2° |
| C16 | C17 | H17 | 111.6° | 110.5° |
| C16 | C17 | H17A | 111.6° | 110.6° |
| C18 | C17 | H17 | 111.6° | 110.4° |
| C18 | C17 | H17A | 111.6° | 110.6° |
| C17 | C18 | C19 | 102.2° | 102.0° |
| C17 | C18 | H18 | 112.0° | 111.0° |
| C17 | C18 | H18A | 112.0° | 110.9° |
| H17 | C17 | H17A | 107.3° | 110.4° |
| C19 | C18 | H18 | 112.0° | 111.0° |
| C19 | C18 | H18A | 112.0° | 110.9° |
| C18 | C19 | C20 | 114.1° | 110.0° |
| H18 | C18 | H18A | 106.9° | 110.8° |
| C19 | C20 | C21 | 108.4° | 109.3° |
| C19 | C20 | H20 | 109.8° | 109.4° |
| C19 | C20 | H20A | 109.8° | 109.5° |
| C21 | C20 | H20 | 109.8° | 109.5° |
| C21 | C20 | H20A | 109.8° | 109.5° |
| C20 | C21 | C22 | 111.0° | 108.9° |
| C20 | C21 | H21 | 109.0° | 109.6° |
| C20 | C21 | H21A | 109.0° | 109.5° |
| H20 | C20 | H20A | 109.1° | 109.5° |
| C22 | C21 | H21 | 109.0° | 109.6° |
| C22 | C21 | H21A | 109.0° | 109.7° |
| C21 | C22 | C23 | 109.6° | 109.2° |
| C21 | C22 | H22 | 110.1° | 109.5° |
| H21 | C21 | H21A | 110.0° | 109.6° |
| C23 | C22 | H22 | 108.2° | 109.4° |
| C22 | C23 | C24 | 106.4° | 108.9° |
| C22 | C23 | H23 | 109.3° | 109.6° |
| C24 | C23 | H23 | 112.7° | 110.0° |
| C23 | C24 | C25 | 107.2° | 107.8° |
| C23 | C24 | H24 | 110.0° | 109.8° |
| C25 | C24 | H24 | 111.2° | 109.8° |
| C24 | C25 | C41 | 120.9° | 121.1° |
| C24 | C25 | C26 | 117.8° | 117.9° |
| C41 | C25 | C26 | 121.3° | 121.1° |
| C25 | C41 | H41 | 120.0° | 120.0° |
| C25 | C41 | H41A | 120.0° | 120.0° |
| C25 | C26 | C27 | 107.5° | 109.6° |
| C25 | C26 | H26 | 110.7° | 109.6° |
| C27 | C26 | H26 | 109.7° | 109.8° |
| C26 | C27 | C28 | 109.9° | 109.5° |
| C26 | C27 | H27 | 109.4° | 109.5° |
| C28 | C27 | H27 | 108.3° | 109.5° |
| C27 | C28 | C29 | 112.1° | 109.5° |
| C27 | C28 | H28 | 108.6° | 109.5° |
| C27 | C28 | H28A | 108.6° | 109.5° |
| C29 | C28 | H28 | 108.6° | 109.4° |
| C29 | C28 | H28A | 108.6° | 109.5° |
| C28 | C29 | C30 | 110.8° | 109.5° |
| C28 | C29 | C40 | 110.5° | 109.4° |
| C28 | C29 | H29 | 108.2° | 109.5° |
| H28 | C28 | H28A | 110.4° | 109.4° |
| C30 | C29 | C40 | 110.7° | 109.5° |
| C30 | C29 | H29 | 108.1° | 109.5° |
| C29 | C30 | C31 | 110.0° | 109.5° |
| C29 | C30 | H30 | 108.3° | 109.5° |
| C40 | C29 | H29 | 108.4° | 109.4° |
| C29 | C40 | H40 | 109.5° | 109.5° |
| C29 | C40 | H40A | 109.5° | 109.5° |
| C29 | C40 | H40B | 109.5° | 109.5° |
| C31 | C30 | H30 | 109.3° | 109.5° |
| C30 | C31 | C32 | 110.3° | 109.1° |
| C30 | C31 | H31 | 109.2° | 109.5° |
| C30 | C31 | H31A | 109.2° | 109.5° |
| C32 | C31 | H31 | 109.2° | 109.5° |
| C32 | C31 | H31A | 109.2° | 109.6° |
| C31 | C32 | C33 | 109.1° | 109.0° |
| C31 | C32 | H32 | 109.6° | 109.6° |
| C31 | C32 | H32A | 109.6° | 109.5° |
| H31 | C31 | H31A | 109.8° | 109.6° |
| C33 | C32 | H32 | 109.6° | 109.6° |
| C33 | C32 | H32A | 109.6° | 109.6° |
| C32 | C33 | C34 | 109.4° | 109.2° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H33A | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.3° | 109.6° |
| C34 | C33 | H33 | 109.5° | 109.5° |
| C34 | C33 | H33A | 109.5° | 109.5° |
| C33 | C34 | C35 | 108.8° | 109.4° |
| H33 | C33 | H33A | 109.4° | 109.6° |
| C34 | C35 | C45 | 110.3° | 109.5° |
| C34 | C35 | C36 | 109.9° | 109.2° |
| C34 | C35 | H35 | 108.9° | 109.5° |
| C45 | C35 | C36 | 110.4° | 109.6° |
| C45 | C35 | H35 | 108.4° | 109.5° |
| C35 | C45 | H45 | 109.5° | 109.5° |
| C35 | C45 | H45A | 109.5° | 109.5° |
| C35 | C45 | H45B | 109.5° | 109.4° |
| C36 | C35 | H35 | 108.9° | 109.5° |
| C35 | C36 | C37 | 108.8° | 109.0° |
| C35 | C36 | H36 | 109.7° | 109.6° |
| C35 | C36 | H36A | 109.7° | 109.6° |
| C37 | C36 | H36 | 109.7° | 109.6° |
| C37 | C36 | H36A | 109.7° | 109.7° |
| C36 | C37 | C38 | 109.8° | 109.1° |
| C36 | C37 | H37 | 109.4° | 109.5° |
| C36 | C37 | H37A | 109.4° | 109.5° |
| H36 | C36 | H36A | 109.3° | 109.5° |
| C38 | C37 | H37 | 109.4° | 109.6° |
| C38 | C37 | H37A | 109.4° | 109.5° |
| C37 | C38 | H38 | 109.2° | 109.4° |
| C37 | C38 | H38A | 109.1° | 109.5° |
| H37 | C37 | H37A | 109.6° | 109.6° |
| H38 | C38 | H38A | 109.8° | 109.5° |
| H40 | C40 | H40A | 109.4° | 109.4° |
| H40 | C40 | H40B | 109.5° | 109.4° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| H41 | C41 | H41A | 120.0° | 120.0° |
| H42 | C42 | H42A | 109.4° | 109.4° |
| H42 | C42 | H42B | 109.5° | 109.4° |
| H42A | C42 | H42B | 109.4° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.5° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.4° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| H44 | C44 | H44B | 109.4° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H45 | C45 | H45B | 109.4° | 109.5° |
| H45A | C45 | H45B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | O1 | 179.9° | 179.7° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.3° |
| O2 | C1 | C2 | C44 | 45.8° | 94.8° |
| O2 | C1 | C2 | C3 | 73.9° | 25.2° |
| O2 | C1 | C2 | O3 | 166.2° | 145.3° |
| C2 | C1 | O1 | HO1 | 179.9° | 179.9° |
| C1 | C2 | C44 | C3 | 119.6° | 120.0° |
| C1 | C2 | C44 | O3 | 120.0° | 119.9° |
| C1 | C2 | C3 | O3 | 119.7° | 120.0° |
| C1 | C2 | C3 | C4 | 57.1° | 175.6° |
| C1 | C2 | C3 | H3 | 177.0° | 64.4° |
| C1 | C2 | C3 | H3A | 62.9° | 55.7° |
| C1 | C2 | O3 | HO3 | 180.0° | 60.1° |
| C1 | C2 | C44 | H44 | 180.0° | 67.9° |
| C1 | C2 | C44 | H44A | 60.0° | 172.1° |
| C1 | C2 | C44 | H44B | 60.0° | 52.1° |
| O1 | C1 | C2 | C44 | 134.1° | 85.0° |
| O1 | C1 | C2 | C3 | 106.2° | 155.0° |
| O1 | C1 | C2 | O3 | 13.6° | 35.0° |
| C44 | C2 | C3 | O3 | 120.7° | 120.0° |
| C44 | C2 | C3 | C4 | 176.6° | 64.4° |
| C44 | C2 | C3 | H3 | 63.4° | 55.6° |
| C44 | C2 | C3 | H3A | 56.6° | 175.7° |
| C44 | C2 | O3 | HO3 | 60.1° | 180.0° |
| C2 | C44 | H44 | H44A | 120.0° | 120.0° |
| C2 | C44 | H44 | H44B | 120.0° | 120.0° |
| C2 | C44 | H44A | H44B | 120.0° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 119.9° |
| C2 | C3 | H3 | H3A | 119.2° | 120.0° |
| C3 | C2 | O3 | HO3 | 60.3° | 60.0° |
| C2 | C3 | C4 | C5 | 178.9° | 173.4° |
| C2 | C3 | C4 | O4 | 60.3° | 66.7° |
| C2 | C3 | C4 | H4 | 58.2° | 53.3° |
| C3 | C2 | C44 | H44 | 60.4° | 52.1° |
| C3 | C2 | C44 | H44A | 179.6° | 67.9° |
| C3 | C2 | C44 | H44B | 59.6° | 172.1° |
| O3 | C2 | C3 | C4 | 62.7° | 55.6° |
| O3 | C2 | C3 | H3 | 57.3° | 175.6° |
| O3 | C2 | C3 | H3A | 177.3° | 64.3° |
| O3 | C2 | C44 | H44 | 60.0° | 172.1° |
| O3 | C2 | C44 | H44A | 60.0° | 52.2° |
| O3 | C2 | C44 | H44B | 180.0° | 67.9° |
| C4 | C3 | H3 | H3A | 119.1° | 120.0° |
| C3 | C4 | C5 | O4 | 120.7° | 120.0° |
| C3 | C4 | C5 | H4 | 120.8° | 120.0° |
| C3 | C4 | O4 | H4 | 120.8° | 120.0° |
| C3 | C4 | O4 | C8 | 176.3° | 178.7° |
| C3 | C4 | C5 | C6 | 176.8° | 177.5° |
| C3 | C4 | C5 | H5 | 56.8° | 57.6° |
| C3 | C4 | C5 | H5A | 63.2° | 62.6° |
| H3 | C3 | C4 | C5 | 61.1° | 66.6° |
| H3 | C3 | C4 | O4 | 59.7° | 53.3° |
| H3 | C3 | C4 | H4 | 178.2° | 173.4° |
| H3A | C3 | C4 | C5 | 58.9° | 53.4° |
| H3A | C3 | C4 | O4 | 179.7° | 173.4° |
| H3A | C3 | C4 | H4 | 61.8° | 66.6° |
| C5 | C4 | O4 | H4 | 120.7° | 120.0° |
| C5 | C4 | O4 | C8 | 57.9° | 61.3° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 119.9° |
| C4 | C5 | H5 | H5A | 119.9° | 120.1° |
| C4 | C5 | C6 | C7 | 56.0° | 56.9° |
| C4 | C5 | C6 | H6 | 176.0° | 176.8° |
| C4 | C5 | C6 | H6A | 64.0° | 63.0° |
| O4 | C4 | C5 | C6 | 56.1° | 57.5° |
| O4 | C4 | C5 | H5 | 63.9° | 62.4° |
| O4 | C4 | C5 | H5A | 176.1° | 177.4° |
| C4 | O4 | C8 | O6 | 62.7° | 58.0° |
| C4 | O4 | C8 | C7 | 57.2° | 61.4° |
| C4 | O4 | C8 | C9 | 173.6° | 178.5° |
| H4 | C4 | O4 | C8 | 62.9° | 58.7° |
| H4 | C4 | C5 | C6 | 62.3° | 62.4° |
| H4 | C4 | C5 | H5 | 177.6° | 177.6° |
| H4 | C4 | C5 | H5A | 57.7° | 57.5° |
| O4 | C8 | C7 | O5 | 174.8° | 177.7° |
| O4 | C8 | C7 | C6 | 55.7° | 57.8° |
| O4 | C8 | O6 | C12 | 67.8° | 69.8° |
| O4 | C8 | O6 | C7 | 121.2° | 119.4° |
| O4 | C8 | O6 | C9 | 120.4° | 120.3° |
| O4 | C8 | C7 | C9 | 116.2° | 120.0° |
| O4 | C8 | C7 | H7 | 64.3° | 62.1° |
| O4 | C8 | C9 | C10 | 105.5° | 104.2° |
| O4 | C8 | C9 | H9 | 74.5° | 75.8° |
| C6 | C5 | H5 | H5A | 119.9° | 120.1° |
| C5 | C6 | C7 | O5 | 175.4° | 176.9° |
| C5 | C6 | C7 | H6 | 120.0° | 119.9° |
| C5 | C6 | C7 | H6A | 120.0° | 119.8° |
| C5 | C6 | H6 | H6A | 120.1° | 120.2° |
| C5 | C6 | C7 | C8 | 56.1° | 57.0° |
| C5 | C6 | C7 | H7 | 63.7° | 62.9° |
| H5 | C5 | C6 | C7 | 64.1° | 63.1° |
| H5 | C5 | C6 | H6 | 56.0° | 56.8° |
| H5 | C5 | C6 | H6A | 175.9° | 177.1° |
| H5A | C5 | C6 | C7 | 176.0° | 176.8° |
| H5A | C5 | C6 | H6 | 64.0° | 63.3° |
| H5A | C5 | C6 | H6A | 56.0° | 57.0° |
| O5 | C7 | C6 | C8 | 119.3° | 119.9° |
| O5 | C7 | C6 | H7 | 120.9° | 120.1° |
| O5 | C7 | C6 | H6 | 64.6° | 63.2° |
| O5 | C7 | C6 | H6A | 55.4° | 57.1° |
| O5 | C7 | C8 | O6 | 52.8° | 58.3° |
| O5 | C7 | C8 | H7 | 120.9° | 120.2° |
| O5 | C7 | C8 | C9 | 69.0° | 62.2° |
| HO5 | O5 | C7 | C6 | 180.0° | 60.0° |
| HO5 | O5 | C7 | C8 | 59.7° | 179.7° |
| HO5 | O5 | C7 | H7 | 60.1° | 60.1° |
| C7 | C6 | H6 | H6A | 120.2° | 120.2° |
| C6 | C7 | C8 | O6 | 66.4° | 61.6° |
| C6 | C7 | C8 | H7 | 119.9° | 119.9° |
| C6 | C7 | C8 | C9 | 171.9° | 177.9° |
| H6 | C6 | C7 | C8 | 176.1° | 176.9° |
| H6 | C6 | C7 | H7 | 56.4° | 57.0° |
| H6A | C6 | C7 | C8 | 63.9° | 62.8° |
| H6A | C6 | C7 | H7 | 176.4° | 177.2° |
| C12 | O6 | C8 | C7 | 171.0° | 170.8° |
| C12 | O6 | C8 | C9 | 52.6° | 50.5° |
| O6 | C12 | C11 | C10 | 44.4° | 47.7° |
| O6 | C12 | C11 | C13 | 120.5° | 119.7° |
| O6 | C12 | C11 | H12 | 119.5° | 119.7° |
| O6 | C12 | C11 | H11 | 164.4° | 167.7° |
| O6 | C12 | C11 | H11A | 75.6° | 72.3° |
| O6 | C12 | C13 | H12 | 119.7° | 120.6° |
| O6 | C12 | C13 | C14 | 61.2° | 60.0° |
| O6 | C12 | C13 | C42 | 176.7° | 180.0° |
| O6 | C12 | C13 | H13 | 57.2° | 60.1° |
| O6 | C8 | C7 | C9 | 121.8° | 120.6° |
| O6 | C8 | C7 | H7 | 173.7° | 178.5° |
| O6 | C8 | C9 | C10 | 17.4° | 15.9° |
| O6 | C8 | C9 | H9 | 162.6° | 164.2° |
| C8 | O6 | C12 | C11 | 66.4° | 68.4° |
| C8 | O6 | C12 | C13 | 176.9° | 171.9° |
| C8 | O6 | C12 | H12 | 56.7° | 51.4° |
| C7 | C8 | C9 | C10 | 136.2° | 136.0° |
| C7 | C8 | C9 | H9 | 43.8° | 44.1° |
| H7 | C7 | C8 | C9 | 51.9° | 57.9° |
| O7 | C19 | O8 | C23 | 60.8° | 64.1° |
| O7 | C19 | O8 | C18 | 111.3° | 114.7° |
| O7 | C19 | O8 | C20 | 121.0° | 123.1° |
| C19 | O7 | C16 | C15 | 171.2° | 145.2° |
| C19 | O7 | C16 | C17 | 48.6° | 25.8° |
| C19 | O7 | C16 | H16 | 71.3° | 93.8° |
| O7 | C19 | C18 | C17 | 36.6° | 36.3° |
| O7 | C19 | C18 | C20 | 116.9° | 118.4° |
| O7 | C19 | C18 | H18 | 156.6° | 154.5° |
| O7 | C19 | C18 | H18A | 83.3° | 81.8° |
| O7 | C19 | C20 | C21 | 63.2° | 67.7° |
| O7 | C19 | C20 | H20 | 176.8° | 172.4° |
| O7 | C19 | C20 | H20A | 56.8° | 52.3° |
| C16 | O7 | C19 | O8 | 63.7° | 79.1° |
| O7 | C16 | C15 | C14 | 179.1° | 121.4° |
| O7 | C16 | C15 | C17 | 114.4° | 117.9° |
| O7 | C16 | C15 | H16 | 125.3° | 121.0° |
| O7 | C16 | C15 | H15 | 0.9° | 58.5° |
| O7 | C16 | C17 | H16 | 125.1° | 119.5° |
| O7 | C16 | C17 | C18 | 23.8° | 2.0° |
| O7 | C16 | C17 | H17 | 143.8° | 120.6° |
| O7 | C16 | C17 | H17A | 96.2° | 116.9° |
| C16 | O7 | C19 | C18 | 53.5° | 39.2° |
| C16 | O7 | C19 | C20 | 174.1° | 157.3° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.4° |
| C8 | C9 | C10 | C43 | 179.0° | 179.6° |
| O8 | C23 | C22 | O9 | 173.6° | 178.7° |
| O8 | C23 | C24 | O10 | 59.0° | 68.8° |
| C23 | O8 | C19 | C18 | 172.0° | 178.8° |
| C23 | O8 | C19 | C20 | 60.2° | 59.0° |
| O8 | C23 | C22 | C21 | 52.8° | 58.6° |
| O8 | C23 | C22 | C24 | 120.0° | 119.4° |
| O8 | C23 | C22 | H23 | 118.1° | 120.2° |
| O8 | C23 | C22 | H22 | 67.3° | 61.2° |
| O8 | C23 | C24 | H23 | 118.0° | 120.5° |
| O8 | C23 | C24 | C25 | 179.5° | 171.7° |
| O8 | C23 | C24 | H24 | 59.4° | 52.0° |
| O8 | C19 | C18 | C17 | 80.4° | 82.4° |
| O8 | C19 | C18 | C20 | 126.1° | 122.9° |
| O8 | C19 | C18 | H18 | 39.6° | 35.8° |
| O8 | C19 | C18 | H18A | 159.6° | 159.4° |
| O8 | C19 | C20 | C21 | 58.6° | 55.6° |
| O8 | C19 | C20 | H20 | 61.4° | 64.4° |
| O8 | C19 | C20 | H20A | 178.6° | 175.6° |
| C19 | O8 | C23 | C22 | 57.4° | 60.0° |
| C19 | O8 | C23 | C24 | 175.6° | 179.1° |
| C19 | O8 | C23 | H23 | 62.4° | 60.2° |
| C9 | C10 | C11 | C43 | 179.5° | 180.0° |
| C9 | C10 | C11 | C12 | 14.6° | 16.4° |
| C9 | C10 | C11 | H11 | 134.6° | 136.4° |
| C9 | C10 | C11 | H11A | 105.4° | 103.6° |
| C9 | C10 | C43 | H43 | 180.0° | 0.0° |
| C9 | C10 | C43 | H43A | 60.0° | 120.0° |
| C9 | C10 | C43 | H43B | 60.0° | 120.0° |
| H9 | C9 | C10 | C11 | 179.6° | 179.6° |
| H9 | C9 | C10 | C43 | 0.9° | 0.4° |
| O9 | C26 | C27 | O11 | 51.2° | 65.5° |
| C26 | O9 | C22 | C21 | 178.1° | 175.1° |
| C26 | O9 | C22 | C23 | 60.8° | 65.1° |
| C26 | O9 | C22 | H22 | 58.1° | 55.0° |
| O9 | C26 | C25 | C24 | 41.3° | 48.4° |
| O9 | C26 | C25 | C41 | 139.5° | 131.6° |
| O9 | C26 | C25 | C27 | 122.4° | 119.7° |
| O9 | C26 | C25 | H26 | 117.8° | 119.7° |
| O9 | C26 | C27 | H26 | 117.7° | 120.6° |
| O9 | C26 | C27 | C28 | 173.6° | 174.5° |
| O9 | C26 | C27 | H27 | 67.6° | 54.5° |
| O9 | C22 | C21 | C20 | 174.7° | 177.9° |
| O9 | C22 | C21 | C23 | 121.9° | 120.1° |
| O9 | C22 | C21 | H22 | 119.2° | 120.1° |
| O9 | C22 | C21 | H21 | 65.3° | 62.3° |
| O9 | C22 | C21 | H21A | 54.7° | 58.0° |
| O9 | C22 | C23 | H22 | 119.2° | 120.1° |
| O9 | C22 | C23 | C24 | 66.5° | 61.9° |
| O9 | C22 | C23 | H23 | 55.5° | 58.5° |
| C22 | O9 | C26 | C25 | 45.4° | 55.5° |
| C22 | O9 | C26 | C27 | 74.5° | 64.2° |
| C22 | O9 | C26 | H26 | 165.7° | 175.1° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 119.4° | 120.0° |
| C10 | C11 | C12 | C13 | 164.9° | 167.4° |
| C10 | C11 | C12 | H12 | 75.1° | 72.0° |
| C11 | C10 | C43 | H43 | 0.5° | 180.0° |
| C11 | C10 | C43 | H43A | 119.5° | 60.0° |
| C11 | C10 | C43 | H43B | 120.5° | 59.9° |
| C43 | C10 | C11 | C12 | 164.9° | 163.6° |
| C43 | C10 | C11 | H11 | 44.8° | 43.6° |
| C43 | C10 | C11 | H11A | 75.1° | 76.4° |
| C10 | C43 | H43 | H43A | 120.0° | 120.0° |
| C10 | C43 | H43 | H43B | 120.0° | 120.0° |
| C10 | C43 | H43A | H43B | 120.0° | 120.0° |
| O10 | C24 | C23 | C22 | 178.9° | 171.9° |
| O10 | C24 | C23 | C25 | 120.5° | 119.6° |
| O10 | C24 | C23 | H24 | 118.5° | 120.8° |
| O10 | C24 | C23 | H23 | 59.0° | 51.7° |
| O10 | C24 | C25 | H24 | 118.4° | 120.8° |
| O10 | C24 | C25 | C41 | 10.2° | 12.0° |
| O10 | C24 | C25 | C26 | 170.7° | 168.0° |
| HO10 | O10 | C24 | C23 | 60.4° | 180.0° |
| HO10 | O10 | C24 | C25 | 58.3° | 61.6° |
| HO10 | O10 | C24 | H24 | 179.3° | 59.2° |
| C12 | C11 | H11 | H11A | 119.4° | 119.9° |
| C11 | C12 | C13 | H12 | 123.1° | 120.5° |
| C11 | C12 | C13 | C14 | 178.4° | 178.9° |
| C11 | C12 | C13 | C42 | 59.5° | 61.1° |
| C11 | C12 | C13 | H13 | 60.1° | 58.9° |
| H11 | C11 | C12 | C13 | 75.1° | 72.5° |
| H11 | C11 | C12 | H12 | 44.9° | 48.0° |
| H11A | C11 | C12 | C13 | 44.9° | 47.4° |
| H11A | C11 | C12 | H12 | 164.9° | 167.9° |
| O11 | C27 | C26 | C25 | 173.1° | 175.6° |
| O11 | C27 | C26 | C28 | 122.4° | 120.0° |
| O11 | C27 | C26 | H27 | 118.8° | 119.9° |
| O11 | C27 | C26 | H26 | 66.5° | 55.1° |
| O11 | C27 | C28 | H27 | 118.8° | 120.0° |
| O11 | C27 | C28 | C29 | 56.7° | 65.0° |
| O11 | C27 | C28 | H28 | 63.3° | 55.0° |
| O11 | C27 | C28 | H28A | 176.7° | 175.0° |
| HO11 | O11 | C27 | C26 | 180.0° | 55.1° |
| HO11 | O11 | C27 | C28 | 58.3° | 65.0° |
| HO11 | O11 | C27 | H27 | 60.5° | 175.0° |
| C12 | C13 | C14 | C42 | 123.0° | 120.0° |
| C12 | C13 | C14 | H13 | 117.4° | 120.0° |
| C12 | C13 | C42 | H13 | 117.5° | 120.0° |
| C12 | C13 | C14 | C15 | 60.1° | 120.0° |
| C12 | C13 | C14 | H14 | 120.0° | 60.0° |
| C12 | C13 | C42 | H42 | 180.0° | 60.0° |
| C12 | C13 | C42 | H42A | 60.0° | 180.0° |
| C12 | C13 | C42 | H42B | 60.0° | 60.0° |
| H12 | C12 | C13 | C14 | 58.5° | 60.6° |
| H12 | C12 | C13 | C42 | 63.6° | 59.4° |
| H12 | C12 | C13 | H13 | 176.9° | 179.4° |
| O12 | C34 | O13 | C38 | 57.4° | 59.0° |
| O12 | C34 | O13 | C33 | 120.6° | 120.1° |
| O12 | C34 | O13 | C35 | 120.3° | 120.0° |
| C34 | O12 | C30 | C29 | 177.4° | 179.0° |
| C34 | O12 | C30 | C31 | 60.6° | 61.0° |
| C34 | O12 | C30 | H30 | 58.7° | 59.0° |
| O12 | C34 | C33 | C32 | 58.9° | 57.5° |
| O12 | C34 | C33 | C35 | 119.7° | 120.0° |
| O12 | C34 | C33 | H33 | 61.1° | 62.4° |
| O12 | C34 | C33 | H33A | 178.9° | 177.4° |
| O12 | C34 | C35 | C45 | 176.8° | 177.5° |
| O12 | C34 | C35 | C36 | 61.2° | 62.6° |
| O12 | C34 | C35 | H35 | 58.0° | 57.4° |
| C30 | O12 | C34 | O13 | 58.3° | 59.1° |
| O12 | C30 | C29 | C28 | 173.9° | 65.0° |
| O12 | C30 | C29 | C31 | 122.0° | 120.0° |
| O12 | C30 | C29 | H30 | 118.6° | 120.0° |
| O12 | C30 | C29 | C40 | 63.1° | 55.0° |
| O12 | C30 | C29 | H29 | 55.4° | 175.0° |
| O12 | C30 | C31 | H30 | 118.7° | 120.0° |
| O12 | C30 | C31 | C32 | 56.5° | 57.6° |
| O12 | C30 | C31 | H31 | 63.5° | 62.2° |
| O12 | C30 | C31 | H31A | 176.5° | 177.6° |
| C30 | O12 | C34 | C33 | 62.1° | 61.0° |
| C30 | O12 | C34 | C35 | 178.6° | 179.1° |
| C14 | C13 | C42 | H13 | 118.5° | 120.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 179.7° | 180.0° |
| C13 | C14 | C15 | H15 | 0.4° | 0.0° |
| C14 | C13 | C42 | H42 | 56.0° | 180.0° |
| C14 | C13 | C42 | H42A | 64.0° | 60.0° |
| C14 | C13 | C42 | H42B | 176.1° | 60.0° |
| C42 | C13 | C14 | C15 | 176.9° | 120.0° |
| C42 | C13 | C14 | H14 | 3.1° | 60.1° |
| C13 | C42 | H42 | H42A | 120.0° | 120.0° |
| C13 | C42 | H42 | H42B | 120.0° | 120.0° |
| C13 | C42 | H42A | H42B | 120.0° | 120.1° |
| H13 | C13 | C14 | C15 | 57.3° | 0.1° |
| H13 | C13 | C14 | H14 | 122.7° | 180.0° |
| H13 | C13 | C42 | H42 | 62.5° | 60.0° |
| H13 | C13 | C42 | H42A | 177.5° | 60.0° |
| H13 | C13 | C42 | H42B | 57.5° | 180.0° |
| C38 | O13 | C34 | C33 | 178.1° | 179.1° |
| C38 | O13 | C34 | C35 | 62.8° | 61.0° |
| O13 | C38 | C37 | C36 | 57.5° | 57.7° |
| O13 | C38 | C37 | H38 | 120.0° | 120.0° |
| O13 | C38 | C37 | H38A | 120.0° | 120.0° |
| O13 | C38 | C37 | H37 | 177.5° | 177.5° |
| O13 | C38 | C37 | H37A | 62.4° | 62.3° |
| O13 | C38 | H38 | H38A | 119.6° | 120.0° |
| O13 | C34 | C33 | C32 | 61.9° | 62.6° |
| O13 | C34 | C33 | C35 | 119.5° | 119.9° |
| O13 | C34 | C33 | H33 | 178.1° | 177.5° |
| O13 | C34 | C33 | H33A | 58.1° | 57.3° |
| O13 | C34 | C35 | C45 | 62.5° | 62.5° |
| O13 | C34 | C35 | C36 | 59.5° | 57.5° |
| O13 | C34 | C35 | H35 | 178.7° | 177.4° |
| C34 | O13 | C38 | C37 | 62.2° | 61.1° |
| C34 | O13 | C38 | H38 | 177.8° | 178.9° |
| C34 | O13 | C38 | H38A | 57.8° | 58.9° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 66.5° | 120.7° |
| C14 | C15 | C16 | H16 | 53.9° | 0.5° |
| H14 | C14 | C15 | C16 | 0.4° | 0.0° |
| H14 | C14 | C15 | H15 | 179.6° | 179.9° |
| C15 | C16 | C17 | H16 | 117.8° | 121.0° |
| C15 | C16 | C17 | C18 | 140.9° | 121.4° |
| C15 | C16 | C17 | H17 | 99.1° | 119.9° |
| C15 | C16 | C17 | H17A | 20.9° | 2.6° |
| H15 | C15 | C16 | C17 | 113.5° | 59.4° |
| H15 | C15 | C16 | H16 | 126.2° | 179.5° |
| C16 | C17 | C18 | H17 | 120.0° | 118.7° |
| C16 | C17 | C18 | H17A | 120.0° | 118.8° |
| C16 | C17 | H17 | H17A | 122.5° | 122.6° |
| C16 | C17 | C18 | C19 | 7.5° | 20.3° |
| C16 | C17 | C18 | H18 | 127.5° | 138.6° |
| C16 | C17 | C18 | H18A | 112.5° | 97.8° |
| H16 | C16 | C17 | C18 | 101.3° | 117.6° |
| H16 | C16 | C17 | H17 | 18.7° | 1.1° |
| H16 | C16 | C17 | H17A | 138.7° | 123.6° |
| C18 | C17 | H17 | H17A | 122.5° | 122.6° |
| C17 | C18 | C19 | H18 | 120.0° | 118.2° |
| C17 | C18 | C19 | H18A | 120.0° | 118.1° |
| C17 | C18 | H18 | H18A | 122.9° | 123.7° |
| C17 | C18 | C19 | C20 | 153.5° | 154.7° |
| H17 | C17 | C18 | C19 | 112.4° | 98.4° |
| H17 | C17 | C18 | H18 | 7.6° | 19.9° |
| H17 | C17 | C18 | H18A | 127.6° | 143.5° |
| H17A | C17 | C18 | C19 | 127.6° | 139.2° |
| H17A | C17 | C18 | H18 | 112.5° | 102.6° |
| H17A | C17 | C18 | H18A | 7.6° | 21.0° |
| C19 | C18 | H18 | H18A | 123.0° | 123.7° |
| C18 | C19 | C20 | C21 | 175.5° | 177.8° |
| C18 | C19 | C20 | H20 | 64.5° | 57.9° |
| C18 | C19 | C20 | H20A | 55.5° | 62.2° |
| H18 | C18 | C19 | C20 | 86.5° | 87.0° |
| H18A | C18 | C19 | C20 | 33.6° | 36.6° |
| C19 | C20 | C21 | H20 | 120.0° | 119.9° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 120.4° | 120.0° |
| C19 | C20 | C21 | C22 | 55.6° | 55.9° |
| C19 | C20 | C21 | H21 | 175.6° | 175.7° |
| C19 | C20 | C21 | H21A | 64.4° | 64.1° |
| C21 | C20 | H20 | H20A | 120.5° | 120.1° |
| C20 | C21 | C22 | H21 | 120.0° | 119.8° |
| C20 | C21 | C22 | H21A | 120.0° | 119.8° |
| C20 | C21 | H21 | H21A | 119.4° | 120.2° |
| C20 | C21 | C22 | C23 | 52.8° | 57.8° |
| C20 | C21 | C22 | H22 | 66.1° | 62.0° |
| H20 | C20 | C21 | C22 | 64.4° | 64.1° |
| H20 | C20 | C21 | H21 | 55.6° | 55.8° |
| H20 | C20 | C21 | H21A | 175.6° | 176.0° |
| H20A | C20 | C21 | C22 | 175.6° | 175.8° |
| H20A | C20 | C21 | H21 | 64.4° | 64.4° |
| H20A | C20 | C21 | H21A | 55.6° | 55.9° |
| C22 | C21 | H21 | H21A | 119.4° | 120.4° |
| C21 | C22 | C23 | H22 | 120.1° | 119.8° |
| C21 | C22 | C23 | C24 | 172.8° | 177.9° |
| C21 | C22 | C23 | H23 | 65.3° | 61.7° |
| H21 | C21 | C22 | C23 | 172.8° | 177.6° |
| H21 | C21 | C22 | H22 | 53.9° | 57.8° |
| H21A | C21 | C22 | C23 | 67.2° | 62.1° |
| H21A | C21 | C22 | H22 | 173.9° | 178.1° |
| C22 | C23 | C24 | H23 | 119.8° | 120.2° |
| C22 | C23 | C24 | C25 | 58.3° | 52.3° |
| C22 | C23 | C24 | H24 | 62.7° | 67.4° |
| H22 | C22 | C23 | C24 | 52.7° | 58.1° |
| H22 | C22 | C23 | H23 | 174.7° | 178.6° |
| C23 | C24 | C25 | H24 | 120.3° | 119.6° |
| C23 | C24 | C25 | C41 | 131.5° | 131.6° |
| C23 | C24 | C25 | C26 | 49.4° | 48.4° |
| H23 | C23 | C24 | C25 | 61.5° | 67.9° |
| H23 | C23 | C24 | H24 | 177.5° | 172.5° |
| C24 | C25 | C41 | C26 | 179.1° | 180.0° |
| C24 | C25 | C26 | C27 | 81.1° | 71.3° |
| C24 | C25 | C26 | H26 | 159.1° | 168.1° |
| C24 | C25 | C41 | H41 | 179.1° | 0.0° |
| C24 | C25 | C41 | H41A | 0.9° | 180.0° |
| H24 | C24 | C25 | C41 | 108.3° | 108.8° |
| H24 | C24 | C25 | C26 | 70.9° | 71.2° |
| C41 | C25 | C26 | C27 | 98.1° | 108.7° |
| C41 | C25 | C26 | H26 | 21.8° | 11.9° |
| C25 | C41 | H41 | H41A | 180.0° | 179.9° |
| C25 | C26 | C27 | H26 | 120.4° | 120.5° |
| C25 | C26 | C27 | C28 | 64.5° | 55.5° |
| C25 | C26 | C27 | H27 | 54.3° | 64.5° |
| C26 | C25 | C41 | H41 | 0.0° | 180.0° |
| C26 | C25 | C41 | H41A | 180.0° | 0.1° |
| C26 | C27 | C28 | H27 | 119.5° | 120.0° |
| C26 | C27 | C28 | C29 | 178.4° | 175.0° |
| C26 | C27 | C28 | H28 | 58.5° | 65.0° |
| C26 | C27 | C28 | H28A | 61.6° | 55.0° |
| H26 | C26 | C27 | C28 | 55.9° | 64.9° |
| H26 | C26 | C27 | H27 | 174.7° | 175.0° |
| C27 | C28 | C29 | H28 | 120.0° | 120.0° |
| C27 | C28 | C29 | H28A | 120.0° | 120.1° |
| C27 | C28 | H28 | H28A | 118.9° | 120.0° |
| C27 | C28 | C29 | C30 | 173.8° | 175.0° |
| C27 | C28 | C29 | C40 | 50.8° | 65.0° |
| C27 | C28 | C29 | H29 | 67.8° | 54.9° |
| H27 | C27 | C28 | C29 | 62.0° | 55.0° |
| H27 | C27 | C28 | H28 | 178.0° | 175.0° |
| H27 | C27 | C28 | H28A | 57.9° | 65.0° |
| C29 | C28 | H28 | H28A | 118.9° | 120.0° |
| C28 | C29 | C30 | C40 | 123.0° | 120.0° |
| C28 | C29 | C30 | H29 | 118.5° | 120.1° |
| C28 | C29 | C40 | H29 | 118.5° | 120.0° |
| C28 | C29 | C30 | C31 | 51.9° | 175.1° |
| C28 | C29 | C30 | H30 | 67.5° | 55.0° |
| C28 | C29 | C40 | H40 | 180.0° | 60.0° |
| C28 | C29 | C40 | H40A | 60.0° | 180.0° |
| C28 | C29 | C40 | H40B | 60.0° | 60.0° |
| H28 | C28 | C29 | C30 | 66.2° | 55.0° |
| H28 | C28 | C29 | C40 | 170.8° | 175.0° |
| H28 | C28 | C29 | H29 | 52.2° | 65.1° |
| H28A | C28 | C29 | C30 | 53.9° | 65.0° |
| H28A | C28 | C29 | C40 | 69.2° | 55.0° |
| H28A | C28 | C29 | H29 | 172.2° | 175.0° |
| C30 | C29 | C40 | H29 | 118.4° | 120.0° |
| C29 | C30 | C31 | H30 | 118.7° | 120.0° |
| C29 | C30 | C31 | C32 | 179.1° | 177.6° |
| C29 | C30 | C31 | H31 | 59.1° | 57.8° |
| C29 | C30 | C31 | H31A | 60.9° | 62.4° |
| C30 | C29 | C40 | H40 | 56.8° | 180.0° |
| C30 | C29 | C40 | H40A | 63.1° | 60.0° |
| C30 | C29 | C40 | H40B | 176.9° | 60.0° |
| C40 | C29 | C30 | C31 | 174.9° | 65.0° |
| C40 | C29 | C30 | H30 | 55.5° | 175.0° |
| C29 | C40 | H40 | H40A | 120.0° | 120.0° |
| C29 | C40 | H40 | H40B | 120.0° | 120.0° |
| C29 | C40 | H40A | H40B | 120.0° | 120.1° |
| H29 | C29 | C30 | C31 | 66.6° | 55.0° |
| H29 | C29 | C30 | H30 | 174.1° | 65.0° |
| H29 | C29 | C40 | H40 | 61.6° | 60.0° |
| H29 | C29 | C40 | H40A | 178.5° | 60.0° |
| H29 | C29 | C40 | H40B | 58.5° | 180.0° |
| C30 | C31 | C32 | H31 | 120.0° | 119.8° |
| C30 | C31 | C32 | H31A | 120.0° | 119.9° |
| C30 | C31 | H31 | H31A | 119.7° | 120.2° |
| C30 | C31 | C32 | C33 | 54.9° | 57.0° |
| C30 | C31 | C32 | H32 | 174.9° | 176.9° |
| C30 | C31 | C32 | H32A | 65.1° | 62.9° |
| H30 | C30 | C31 | C32 | 62.2° | 62.4° |
| H30 | C30 | C31 | H31 | 177.8° | 177.8° |
| H30 | C30 | C31 | H31A | 57.8° | 57.6° |
| C32 | C31 | H31 | H31A | 119.7° | 120.2° |
| C31 | C32 | C33 | H32 | 120.0° | 119.9° |
| C31 | C32 | C33 | H32A | 120.0° | 119.9° |
| C31 | C32 | H32 | H32A | 120.2° | 120.2° |
| C31 | C32 | C33 | C34 | 55.9° | 56.9° |
| C31 | C32 | C33 | H33 | 64.1° | 63.0° |
| C31 | C32 | C33 | H33A | 175.9° | 176.9° |
| H31 | C31 | C32 | C33 | 65.1° | 62.9° |
| H31 | C31 | C32 | H32 | 55.0° | 57.0° |
| H31 | C31 | C32 | H32A | 174.9° | 177.2° |
| H31A | C31 | C32 | C33 | 174.9° | 176.9° |
| H31A | C31 | C32 | H32 | 65.1° | 63.2° |
| H31A | C31 | C32 | H32A | 54.9° | 57.0° |
| C33 | C32 | H32 | H32A | 120.1° | 120.2° |
| C32 | C33 | C34 | H33 | 120.0° | 119.9° |
| C32 | C33 | C34 | H33A | 120.0° | 119.9° |
| C32 | C33 | H33 | H33A | 120.0° | 120.1° |
| C32 | C33 | C34 | C35 | 178.6° | 177.4° |
| H32 | C32 | C33 | C34 | 175.9° | 176.8° |
| H32 | C32 | C33 | H33 | 55.9° | 56.9° |
| H32 | C32 | C33 | H33A | 64.1° | 63.2° |
| H32A | C32 | C33 | C34 | 64.1° | 62.9° |
| H32A | C32 | C33 | H33 | 175.8° | 177.2° |
| H32A | C32 | C33 | H33A | 55.8° | 57.0° |
| C34 | C33 | H33 | H33A | 120.0° | 120.2° |
| C33 | C34 | C35 | C45 | 56.9° | 57.5° |
| C33 | C34 | C35 | C36 | 178.8° | 177.4° |
| C33 | C34 | C35 | H35 | 62.0° | 62.6° |
| H33 | C33 | C34 | C35 | 58.6° | 57.5° |
| H33A | C33 | C34 | C35 | 61.4° | 62.6° |
| C34 | C35 | C45 | C36 | 121.6° | 119.8° |
| C34 | C35 | C45 | H35 | 119.2° | 120.1° |
| C34 | C35 | C36 | H35 | 119.2° | 119.9° |
| C34 | C35 | C36 | C37 | 55.6° | 57.0° |
| C34 | C35 | C36 | H36 | 64.3° | 62.9° |
| C34 | C35 | C36 | H36A | 175.6° | 177.0° |
| C34 | C35 | C45 | H45 | 180.0° | 60.0° |
| C34 | C35 | C45 | H45A | 60.0° | 180.0° |
| C34 | C35 | C45 | H45B | 60.0° | 59.9° |
| C45 | C35 | C36 | H35 | 118.9° | 120.1° |
| C45 | C35 | C36 | C37 | 66.2° | 63.0° |
| C45 | C35 | C36 | H36 | 173.8° | 177.1° |
| C45 | C35 | C36 | H36A | 53.7° | 57.0° |
| C35 | C45 | H45 | H45A | 120.0° | 120.0° |
| C35 | C45 | H45 | H45B | 120.0° | 120.0° |
| C35 | C45 | H45A | H45B | 120.0° | 120.0° |
| C35 | C36 | C37 | H36 | 120.0° | 119.9° |
| C35 | C36 | C37 | H36A | 120.0° | 120.0° |
| C35 | C36 | H36 | H36A | 120.3° | 120.2° |
| C35 | C36 | C37 | C38 | 54.5° | 57.0° |
| C35 | C36 | C37 | H37 | 174.4° | 177.0° |
| C35 | C36 | C37 | H37A | 65.5° | 62.9° |
| C36 | C35 | C45 | H45 | 58.4° | 59.8° |
| C36 | C35 | C45 | H45A | 178.4° | 60.3° |
| C36 | C35 | C45 | H45B | 61.6° | 179.7° |
| H35 | C35 | C36 | C37 | 174.9° | 176.9° |
| H35 | C35 | C36 | H36 | 54.9° | 57.0° |
| H35 | C35 | C36 | H36A | 65.2° | 63.1° |
| H35 | C35 | C45 | H45 | 60.8° | 179.9° |
| H35 | C35 | C45 | H45A | 59.2° | 59.8° |
| H35 | C35 | C45 | H45B | 179.2° | 60.2° |
| C37 | C36 | H36 | H36A | 120.3° | 120.3° |
| C36 | C37 | C38 | H37 | 120.0° | 119.9° |
| C36 | C37 | C38 | H37A | 120.0° | 119.9° |
| C36 | C37 | H37 | H37A | 119.9° | 120.1° |
| C36 | C37 | C38 | H38 | 177.5° | 177.6° |
| C36 | C37 | C38 | H38A | 62.5° | 62.4° |
| H36 | C36 | C37 | C38 | 65.5° | 62.9° |
| H36 | C36 | C37 | H37 | 54.5° | 57.1° |
| H36 | C36 | C37 | H37A | 174.5° | 177.2° |
| H36A | C36 | C37 | C38 | 174.4° | 177.0° |
| H36A | C36 | C37 | H37 | 65.6° | 63.1° |
| H36A | C36 | C37 | H37A | 54.5° | 57.1° |
| C38 | C37 | H37 | H37A | 119.9° | 120.2° |
| C37 | C38 | H38 | H38A | 119.6° | 120.0° |
| H37 | C37 | C38 | H38 | 62.5° | 62.5° |
| H37 | C37 | C38 | H38A | 57.5° | 57.5° |
| H37A | C37 | C38 | H38 | 57.5° | 57.7° |
| H37A | C37 | C38 | H38A | 177.6° | 177.7° |
| H40 | C40 | H40A | H40B | 120.0° | 119.9° |
| H42 | C42 | H42A | H42B | 120.0° | 119.9° |
| H43 | C43 | H43A | H43B | 120.0° | 120.0° |
| H44 | C44 | H44A | H44B | 120.0° | 120.0° |
| H45 | C45 | H45A | H45B | 120.0° | 120.0° |
