YIJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| O3 | C16 | sing | 1.43Å | 1.43Å | |
| C20 | C18 | sing | 1.53Å | 1.54Å | |
| O5 | C22 | sing | 1.43Å | 1.39Å | |
| C22 | O4 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| O4 | C17 | sing | 1.43Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C18 | C24 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.54Å | 1.52Å | |
| C17 | C27 | sing | 1.50Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.52Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C10 | sing | 1.51Å | 1.52Å | |
| C8 | O2 | sing | 1.45Å | 1.46Å | |
| C14 | C28 | sing | 1.49Å | 1.53Å | |
| C14 | C10 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.52Å | 1.58Å | |
| C28 | N1 | sing | 1.45Å | 1.47Å | |
| C27 | C13 | sing | 1.50Å | 1.53Å | |
| C27 | C26 | doub | 1.31Å | 1.33Å | |
| C10 | C11 | doub | 1.31Å | 1.32Å | |
| C25 | C26 | sing | 1.49Å | 1.50Å | |
| O2 | C7 | sing | 1.35Å | 1.34Å | |
| C13 | C12 | sing | 1.55Å | 1.53Å | |
| C13 | O6 | sing | 1.42Å | 1.44Å | |
| C31 | N1 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.51Å | 1.48Å | |
| N1 | C29 | sing | 1.45Å | 1.47Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | O1 | doub | 1.21Å | 1.20Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | O6 | sing | 1.39Å | 1.43Å | |
| C30 | C29 | sing | 1.52Å | 1.51Å | |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.08Å | 1.08Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å | |
| O3 | H43 | sing | 0.97Å | 0.95Å | |
| O5 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 108.8° | 108.9° |
| C21 | C20 | C18 | 109.5° | 109.0° |
| C21 | C20 | H8 | 109.5° | 109.6° |
| C21 | C20 | H9 | 109.5° | 109.6° |
| C20 | C21 | H10 | 109.6° | 109.6° |
| C20 | C21 | H11 | 109.6° | 109.5° |
| C21 | C22 | O5 | 110.8° | 109.6° |
| C21 | C22 | O4 | 109.3° | 109.1° |
| C21 | C22 | C23 | 109.6° | 109.2° |
| C22 | C21 | H10 | 109.6° | 109.5° |
| C22 | C21 | H11 | 109.6° | 109.6° |
| O3 | C16 | C15 | 107.7° | 109.6° |
| O3 | C16 | C17 | 113.3° | 109.6° |
| O3 | C16 | H22 | 108.8° | 109.8° |
| C16 | O3 | H43 | 109.5° | 114.0° |
| C20 | C18 | C19 | 109.9° | 110.0° |
| C20 | C18 | C17 | 111.2° | 109.0° |
| C20 | C18 | C24 | 106.5° | 109.2° |
| C18 | C20 | H8 | 109.5° | 109.6° |
| C18 | C20 | H9 | 109.5° | 109.6° |
| O5 | C22 | O4 | 106.7° | 109.6° |
| O5 | C22 | C23 | 110.6° | 109.9° |
| C22 | O5 | H44 | 109.5° | 114.0° |
| O4 | C22 | C23 | 109.8° | 109.5° |
| C22 | O4 | C17 | 114.0° | 114.2° |
| C22 | C23 | C24 | 110.0° | 109.1° |
| C22 | C23 | H27 | 109.4° | 109.6° |
| C22 | C23 | H28 | 109.3° | 109.5° |
| C15 | C16 | C17 | 111.6° | 108.5° |
| C16 | C15 | C14 | 111.2° | 109.3° |
| C16 | C15 | H6 | 109.0° | 109.5° |
| C16 | C15 | H7 | 109.0° | 109.5° |
| C15 | C16 | H22 | 107.6° | 109.7° |
| C16 | C17 | O4 | 105.4° | 109.8° |
| C16 | C17 | C18 | 115.1° | 108.8° |
| C16 | C17 | C27 | 111.7° | 110.0° |
| C17 | C16 | H22 | 107.6° | 109.6° |
| O4 | C17 | C18 | 108.8° | 109.3° |
| O4 | C17 | C27 | 104.2° | 109.6° |
| C19 | C18 | C17 | 111.6° | 109.9° |
| C19 | C18 | C24 | 110.5° | 110.5° |
| C18 | C19 | H23 | 109.5° | 109.4° |
| C18 | C19 | H24 | 109.5° | 109.4° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C17 | C18 | C24 | 107.0° | 108.1° |
| C18 | C17 | C27 | 110.9° | 109.3° |
| C18 | C24 | C23 | 108.7° | 108.8° |
| C18 | C24 | C25 | 110.1° | 109.8° |
| C18 | C24 | H12 | 108.7° | 109.5° |
| C15 | C14 | C28 | 109.4° | 110.2° |
| C15 | C14 | C10 | 107.1° | 105.7° |
| C15 | C14 | C13 | 109.9° | 110.9° |
| C14 | C15 | H6 | 109.0° | 109.5° |
| C14 | C15 | H7 | 109.0° | 109.5° |
| C17 | C27 | C13 | 121.8° | 122.4° |
| C17 | C27 | C26 | 120.3° | 120.2° |
| C23 | C24 | C25 | 111.4° | 109.9° |
| C23 | C24 | H12 | 109.1° | 109.4° |
| C24 | C23 | H27 | 109.4° | 109.5° |
| C24 | C23 | H28 | 109.4° | 109.5° |
| C24 | C25 | C26 | 109.1° | 112.9° |
| C25 | C24 | H12 | 109.0° | 109.4° |
| C24 | C25 | H29 | 109.6° | 108.9° |
| C24 | C25 | H30 | 109.6° | 108.8° |
| C9 | C8 | C10 | 117.5° | 109.5° |
| C9 | C8 | O2 | 106.7° | 109.4° |
| C9 | C8 | H4 | 107.1° | 109.5° |
| C8 | C9 | H40 | 109.5° | 109.5° |
| C8 | C9 | H41 | 109.5° | 109.5° |
| C8 | C9 | H42 | 109.5° | 109.5° |
| C10 | C8 | O2 | 110.5° | 109.4° |
| C8 | C10 | C14 | 127.3° | 125.0° |
| C8 | C10 | C11 | 125.4° | 124.9° |
| C10 | C8 | H4 | 107.0° | 109.5° |
| C8 | O2 | C7 | 118.5° | 117.0° |
| O2 | C8 | H4 | 107.6° | 109.5° |
| C28 | C14 | C10 | 113.7° | 110.0° |
| C28 | C14 | C13 | 113.1° | 115.7° |
| C14 | C28 | N1 | 114.8° | 115.5° |
| C14 | C28 | H15 | 108.1° | 108.3° |
| C14 | C28 | H16 | 108.1° | 108.1° |
| C10 | C14 | C13 | 103.4° | 103.7° |
| C14 | C10 | C11 | 107.1° | 110.1° |
| C14 | C13 | C27 | 116.8° | 115.1° |
| C14 | C13 | C12 | 101.5° | 101.2° |
| C14 | C13 | O6 | 111.5° | 113.7° |
| C28 | N1 | C31 | 111.1° | 111.0° |
| C28 | N1 | C29 | 111.8° | 112.0° |
| N1 | C28 | H15 | 108.1° | 108.3° |
| N1 | C28 | H16 | 108.1° | 108.2° |
| C13 | C27 | C26 | 117.7° | 117.4° |
| C27 | C13 | C12 | 114.4° | 109.9° |
| C27 | C13 | O6 | 108.8° | 109.0° |
| C27 | C26 | C25 | 124.6° | 126.3° |
| C27 | C26 | H13 | 117.7° | 116.8° |
| C10 | C11 | C12 | 110.5° | 110.7° |
| C10 | C11 | H18 | 124.7° | 124.6° |
| C25 | C26 | H13 | 117.7° | 116.9° |
| C26 | C25 | H29 | 109.6° | 108.8° |
| C26 | C25 | H30 | 109.6° | 108.8° |
| O2 | C7 | C6 | 111.0° | 120.0° |
| O2 | C7 | O1 | 124.9° | 120.0° |
| C12 | C13 | O6 | 102.9° | 107.5° |
| C13 | C12 | C11 | 100.3° | 103.2° |
| C13 | C12 | H20 | 111.7° | 110.7° |
| C13 | C12 | H21 | 111.7° | 110.6° |
| C13 | O6 | C30 | 117.4° | 121.3° |
| C31 | N1 | C29 | 110.5° | 111.0° |
| N1 | C31 | H37 | 109.5° | 109.4° |
| N1 | C31 | H38 | 109.4° | 109.5° |
| N1 | C31 | H39 | 109.5° | 109.4° |
| C12 | C11 | H18 | 124.7° | 124.7° |
| C11 | C12 | H20 | 111.7° | 110.7° |
| C11 | C12 | H21 | 111.7° | 110.7° |
| N1 | C29 | C30 | 110.2° | 110.4° |
| N1 | C29 | H32 | 109.3° | 109.3° |
| N1 | C29 | H33 | 109.3° | 109.3° |
| C4 | C5 | C6 | 120.2° | 119.8° |
| C5 | C4 | C3 | 120.2° | 120.2° |
| C5 | C4 | H2 | 119.9° | 119.9° |
| C4 | C5 | H3 | 119.9° | 120.1° |
| C5 | C6 | C7 | 120.2° | 120.1° |
| C5 | C6 | C1 | 119.2° | 119.7° |
| C6 | C5 | H3 | 119.9° | 120.1° |
| C6 | C7 | O1 | 124.1° | 120.0° |
| C7 | C6 | C1 | 120.6° | 120.1° |
| C4 | C3 | C2 | 120.0° | 120.3° |
| C3 | C4 | H2 | 119.9° | 119.9° |
| C4 | C3 | H34 | 120.0° | 119.8° |
| O6 | C30 | C29 | 110.9° | 114.6° |
| O6 | C30 | H35 | 109.1° | 108.5° |
| O6 | C30 | H36 | 109.1° | 108.5° |
| C30 | C29 | H32 | 109.3° | 109.3° |
| C30 | C29 | H33 | 109.3° | 109.1° |
| C29 | C30 | H35 | 109.1° | 108.5° |
| C29 | C30 | H36 | 109.1° | 108.4° |
| C6 | C1 | C2 | 120.2° | 119.8° |
| C6 | C1 | H17 | 119.9° | 120.1° |
| C3 | C2 | C1 | 120.2° | 120.2° |
| C3 | C2 | H26 | 119.9° | 119.9° |
| C2 | C3 | H34 | 120.0° | 119.9° |
| C2 | C1 | H17 | 119.9° | 120.1° |
| C1 | C2 | H26 | 119.9° | 119.9° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.6° |
| H15 | C28 | H16 | 109.5° | 108.2° |
| H20 | C12 | H21 | 109.5° | 110.7° |
| H23 | C19 | H24 | 109.4° | 109.5° |
| H23 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.6° |
| H29 | C25 | H30 | 109.4° | 108.7° |
| H32 | C29 | H33 | 109.5° | 109.3° |
| H35 | C30 | H36 | 109.5° | 108.2° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H39 | 109.5° | 109.4° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H40 | C9 | H41 | 109.5° | 109.4° |
| H40 | C9 | H42 | 109.5° | 109.4° |
| H41 | C9 | H42 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H10 | 119.9° | 119.9° |
| C20 | C21 | C22 | H11 | 119.9° | 119.8° |
| C21 | C20 | C18 | H8 | 120.0° | 119.9° |
| C21 | C20 | C18 | H9 | 120.0° | 119.9° |
| C20 | C21 | C22 | O5 | 178.5° | 178.1° |
| C20 | C21 | C22 | O4 | 61.3° | 58.2° |
| C20 | C21 | C22 | C23 | 59.1° | 61.5° |
| C21 | C20 | C18 | C19 | 177.0° | 177.9° |
| C21 | C20 | C18 | C17 | 53.0° | 57.3° |
| C21 | C20 | C18 | C24 | 63.3° | 60.6° |
| C21 | C20 | H8 | H9 | 120.0° | 120.3° |
| C20 | C21 | H10 | H11 | 120.3° | 120.3° |
| C22 | C21 | C20 | C18 | 2.9° | 0.9° |
| C21 | C22 | O5 | O4 | 118.8° | 119.6° |
| C21 | C22 | O5 | C23 | 121.8° | 120.0° |
| C21 | C22 | O4 | C23 | 120.3° | 119.5° |
| C21 | C22 | O4 | C17 | 63.8° | 61.7° |
| C21 | C22 | C23 | C24 | 60.1° | 60.3° |
| C22 | C21 | C20 | H8 | 123.0° | 119.0° |
| C22 | C21 | C20 | H9 | 117.1° | 120.8° |
| C22 | C21 | H10 | H11 | 120.3° | 120.3° |
| C21 | C22 | C23 | H27 | 60.0° | 59.6° |
| C21 | C22 | C23 | H28 | 179.8° | 179.8° |
| C21 | C22 | O5 | H44 | 180.0° | 60.0° |
| O3 | C16 | C15 | C17 | 125.0° | 119.7° |
| O3 | C16 | C15 | H22 | 117.1° | 120.6° |
| O3 | C16 | C17 | H22 | 120.3° | 120.6° |
| O3 | C16 | C17 | O4 | 57.3° | 53.1° |
| O3 | C16 | C17 | C18 | 62.6° | 66.5° |
| O3 | C16 | C15 | C14 | 167.5° | 171.1° |
| O3 | C16 | C17 | C27 | 169.8° | 173.8° |
| O3 | C16 | C15 | H6 | 72.3° | 51.1° |
| O3 | C16 | C15 | H7 | 47.2° | 69.0° |
| C20 | C18 | C17 | C16 | 64.4° | 62.5° |
| C20 | C18 | C17 | O4 | 53.5° | 57.4° |
| C20 | C18 | C19 | C17 | 123.8° | 120.1° |
| C20 | C18 | C19 | C24 | 117.3° | 120.7° |
| C20 | C18 | C17 | C24 | 115.9° | 118.6° |
| C20 | C18 | C17 | C27 | 167.6° | 177.4° |
| C20 | C18 | C24 | C23 | 62.4° | 61.8° |
| C20 | C18 | C24 | C25 | 175.4° | 177.9° |
| C18 | C20 | H8 | H9 | 120.0° | 120.2° |
| C18 | C20 | C21 | H10 | 122.8° | 119.0° |
| C18 | C20 | C21 | H11 | 116.9° | 120.7° |
| C20 | C18 | C24 | H12 | 56.2° | 57.7° |
| C20 | C18 | C19 | H23 | 180.0° | 60.0° |
| C20 | C18 | C19 | H24 | 60.0° | 180.0° |
| C20 | C18 | C19 | H25 | 60.0° | 60.0° |
| O5 | C22 | O4 | C23 | 119.9° | 120.6° |
| O5 | C22 | O4 | C17 | 176.4° | 178.4° |
| O5 | C22 | C23 | C24 | 177.4° | 179.5° |
| O5 | C22 | C21 | H10 | 61.6° | 62.0° |
| O5 | C22 | C21 | H11 | 58.6° | 58.3° |
| O5 | C22 | C23 | H27 | 62.5° | 60.6° |
| O5 | C22 | C23 | H28 | 57.4° | 59.6° |
| C22 | O4 | C17 | C16 | 128.9° | 122.0° |
| C22 | O4 | C17 | C18 | 5.0° | 2.8° |
| C22 | O4 | C17 | C27 | 113.4° | 117.0° |
| O4 | C22 | C23 | C24 | 60.0° | 59.1° |
| O4 | C22 | C21 | H10 | 178.8° | 178.1° |
| O4 | C22 | C21 | H11 | 58.6° | 61.6° |
| O4 | C22 | C23 | H27 | 179.9° | 179.0° |
| O4 | C22 | C23 | H28 | 60.1° | 60.8° |
| O4 | C22 | O5 | H44 | 61.2° | 59.6° |
| C23 | C22 | O4 | C17 | 56.6° | 57.8° |
| C22 | C23 | C24 | C18 | 1.8° | 1.1° |
| C22 | C23 | C24 | H27 | 120.1° | 120.0° |
| C22 | C23 | C24 | H28 | 120.1° | 119.9° |
| C22 | C23 | C24 | C25 | 123.2° | 121.4° |
| C23 | C22 | C21 | H10 | 60.8° | 58.4° |
| C23 | C22 | C21 | H11 | 179.0° | 178.7° |
| C22 | C23 | C24 | H12 | 116.5° | 118.4° |
| C22 | C23 | H27 | H28 | 119.8° | 120.2° |
| C23 | C22 | O5 | H44 | 58.2° | 180.0° |
| C15 | C16 | C17 | H22 | 117.8° | 119.7° |
| C15 | C16 | C17 | O4 | 64.6° | 66.6° |
| C15 | C16 | C17 | C18 | 175.6° | 173.8° |
| C16 | C15 | C14 | H6 | 120.3° | 119.9° |
| C16 | C15 | C14 | H7 | 120.3° | 120.0° |
| C15 | C16 | C17 | C27 | 48.0° | 54.1° |
| C16 | C15 | C14 | C28 | 67.6° | 70.0° |
| C16 | C15 | C14 | C10 | 168.7° | 171.1° |
| C16 | C15 | C14 | C13 | 57.1° | 59.4° |
| C16 | C15 | H6 | H7 | 119.2° | 120.1° |
| C15 | C16 | O3 | H43 | 180.0° | 60.0° |
| C16 | C17 | O4 | C18 | 123.9° | 119.3° |
| C16 | C17 | O4 | C27 | 117.7° | 120.9° |
| C16 | C17 | C18 | C19 | 58.7° | 58.1° |
| C16 | C17 | C18 | C27 | 128.0° | 120.1° |
| C16 | C17 | C18 | C24 | 179.7° | 178.9° |
| C17 | C16 | C15 | C14 | 67.5° | 69.2° |
| C16 | C17 | C27 | C13 | 25.0° | 34.5° |
| C16 | C17 | C27 | C26 | 160.8° | 146.7° |
| C17 | C16 | C15 | H6 | 52.8° | 170.8° |
| C17 | C16 | C15 | H7 | 172.2° | 50.7° |
| C17 | C16 | O3 | H43 | 56.0° | 179.0° |
| O4 | C17 | C18 | C19 | 176.6° | 178.0° |
| O4 | C17 | C18 | C27 | 114.1° | 120.0° |
| O4 | C17 | C18 | C24 | 62.4° | 61.2° |
| O4 | C17 | C27 | C13 | 88.2° | 86.3° |
| O4 | C17 | C27 | C26 | 85.9° | 92.5° |
| O4 | C17 | C16 | H22 | 177.6° | 173.7° |
| C19 | C18 | C17 | C24 | 121.1° | 120.7° |
| C19 | C18 | C17 | C27 | 69.3° | 61.9° |
| C19 | C18 | C24 | C23 | 178.3° | 177.1° |
| C19 | C18 | C24 | C25 | 56.1° | 56.8° |
| C19 | C18 | C20 | H8 | 56.9° | 58.0° |
| C19 | C18 | C20 | H9 | 63.0° | 62.2° |
| C19 | C18 | C24 | H12 | 63.2° | 63.4° |
| C18 | C19 | H23 | H24 | 120.0° | 119.9° |
| C18 | C19 | H23 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.0° |
| C17 | C18 | C24 | C23 | 56.5° | 56.7° |
| C17 | C18 | C24 | C25 | 65.6° | 63.6° |
| C18 | C17 | C27 | C13 | 154.8° | 153.9° |
| C18 | C17 | C27 | C26 | 31.0° | 27.4° |
| C17 | C18 | C20 | H8 | 67.1° | 62.7° |
| C17 | C18 | C20 | H9 | 172.9° | 177.2° |
| C17 | C18 | C24 | H12 | 175.1° | 176.2° |
| C18 | C17 | C16 | H22 | 57.8° | 54.1° |
| C17 | C18 | C19 | H23 | 56.2° | 179.9° |
| C17 | C18 | C19 | H24 | 63.8° | 59.9° |
| C17 | C18 | C19 | H25 | 176.2° | 60.1° |
| C24 | C18 | C17 | C27 | 51.7° | 58.8° |
| C18 | C24 | C23 | C25 | 121.4° | 120.3° |
| C18 | C24 | C23 | H12 | 118.3° | 119.6° |
| C18 | C24 | C25 | H12 | 119.1° | 120.2° |
| C18 | C24 | C25 | C26 | 53.3° | 35.2° |
| C24 | C18 | C20 | H8 | 176.7° | 179.4° |
| C24 | C18 | C20 | H9 | 56.7° | 59.3° |
| C24 | C18 | C19 | H23 | 62.8° | 60.6° |
| C24 | C18 | C19 | H24 | 177.3° | 59.3° |
| C24 | C18 | C19 | H25 | 57.3° | 179.4° |
| C18 | C24 | C23 | H27 | 121.9° | 121.1° |
| C18 | C24 | C23 | H28 | 118.3° | 118.7° |
| C18 | C24 | C25 | H29 | 66.7° | 85.7° |
| C18 | C24 | C25 | H30 | 173.3° | 156.0° |
| C15 | C14 | C10 | C8 | 55.7° | 84.8° |
| C15 | C14 | C28 | C10 | 119.7° | 116.2° |
| C15 | C14 | C28 | C13 | 122.9° | 126.8° |
| C15 | C14 | C10 | C13 | 116.1° | 116.8° |
| C15 | C14 | C28 | N1 | 170.7° | 148.8° |
| C15 | C14 | C13 | C27 | 32.8° | 36.7° |
| C15 | C14 | C10 | C11 | 119.0° | 95.3° |
| C15 | C14 | C13 | C12 | 92.3° | 81.6° |
| C15 | C14 | C13 | O6 | 158.7° | 163.4° |
| C14 | C15 | H6 | H7 | 119.2° | 120.1° |
| C15 | C14 | C28 | H15 | 49.9° | 89.5° |
| C15 | C14 | C28 | H16 | 68.5° | 27.4° |
| C14 | C15 | C16 | H22 | 50.3° | 50.5° |
| C17 | C27 | C13 | C14 | 18.1° | 26.2° |
| C17 | C27 | C13 | C26 | 174.3° | 178.8° |
| C17 | C27 | C26 | C25 | 21.2° | 1.1° |
| C17 | C27 | C13 | C12 | 100.1° | 87.2° |
| C17 | C27 | C13 | O6 | 145.4° | 155.2° |
| C17 | C27 | C26 | H13 | 158.8° | 178.8° |
| C27 | C17 | C16 | H22 | 69.8° | 65.6° |
| C23 | C24 | C25 | H12 | 120.3° | 120.2° |
| C23 | C24 | C25 | C26 | 67.3° | 84.5° |
| C24 | C23 | H27 | H28 | 119.8° | 120.1° |
| C23 | C24 | C25 | H29 | 172.8° | 154.6° |
| C23 | C24 | C25 | H30 | 52.7° | 36.4° |
| C24 | C25 | C26 | C27 | 31.7° | 2.9° |
| C24 | C25 | C26 | H29 | 120.0° | 120.9° |
| C24 | C25 | C26 | H30 | 120.0° | 120.8° |
| C24 | C25 | C26 | H13 | 148.2° | 177.2° |
| C25 | C24 | C23 | H27 | 116.8° | 118.7° |
| C25 | C24 | C23 | H28 | 3.1° | 1.5° |
| C24 | C25 | H29 | H30 | 120.2° | 118.3° |
| C9 | C8 | C10 | O2 | 122.8° | 119.9° |
| C9 | C8 | C10 | H4 | 120.3° | 120.0° |
| C9 | C8 | O2 | H4 | 114.6° | 120.0° |
| C9 | C8 | C10 | C14 | 40.4° | 174.7° |
| C9 | C8 | C10 | C11 | 145.8° | 5.3° |
| C9 | C8 | O2 | C7 | 58.2° | 85.3° |
| C8 | C9 | H40 | H41 | 120.0° | 120.0° |
| C8 | C9 | H40 | H42 | 120.0° | 120.1° |
| C8 | C9 | H41 | H42 | 120.0° | 120.1° |
| C10 | C8 | O2 | H4 | 116.5° | 120.1° |
| C8 | C10 | C14 | C28 | 65.3° | 34.2° |
| C8 | C10 | C14 | C11 | 174.7° | 180.0° |
| C8 | C10 | C14 | C13 | 171.8° | 158.5° |
| C10 | C8 | O2 | C7 | 70.6° | 154.7° |
| C8 | C10 | C11 | C12 | 146.1° | 179.0° |
| C8 | C10 | C11 | H18 | 33.8° | 0.9° |
| C10 | C8 | C9 | H40 | 180.0° | 180.0° |
| C10 | C8 | C9 | H41 | 60.0° | 60.1° |
| C10 | C8 | C9 | H42 | 60.0° | 60.0° |
| O2 | C8 | C10 | C14 | 163.1° | 54.8° |
| O2 | C8 | C10 | C11 | 23.0° | 125.3° |
| C8 | O2 | C7 | C6 | 146.1° | 174.9° |
| C8 | O2 | C7 | O1 | 31.4° | 5.1° |
| O2 | C8 | C9 | H40 | 55.4° | 60.0° |
| O2 | C8 | C9 | H41 | 175.4° | 180.0° |
| O2 | C8 | C9 | H42 | 64.7° | 60.0° |
| C28 | C14 | C10 | C13 | 123.0° | 124.3° |
| C14 | C28 | N1 | H15 | 120.8° | 121.6° |
| C14 | C28 | N1 | H16 | 120.8° | 121.3° |
| C28 | C14 | C13 | C27 | 89.8° | 89.7° |
| C28 | C14 | C10 | C11 | 120.0° | 145.8° |
| C28 | C14 | C13 | C12 | 145.1° | 151.9° |
| C28 | C14 | C13 | O6 | 36.2° | 36.9° |
| C14 | C28 | N1 | C31 | 138.5° | 157.1° |
| C14 | C28 | N1 | C29 | 97.5° | 78.2° |
| C28 | C14 | C15 | H6 | 172.1° | 49.9° |
| C28 | C14 | C15 | H7 | 52.7° | 170.0° |
| C14 | C28 | H15 | H16 | 117.6° | 116.9° |
| C10 | C14 | C28 | N1 | 51.0° | 32.7° |
| C10 | C14 | C13 | C27 | 146.9° | 149.7° |
| C10 | C14 | C13 | C12 | 21.8° | 31.4° |
| C10 | C14 | C13 | O6 | 87.2° | 83.6° |
| C14 | C10 | C11 | C12 | 28.7° | 0.9° |
| C14 | C10 | C8 | H4 | 80.0° | 65.2° |
| C10 | C14 | C15 | H6 | 48.5° | 68.9° |
| C10 | C14 | C15 | H7 | 71.0° | 51.1° |
| C10 | C14 | C28 | H15 | 69.8° | 154.3° |
| C10 | C14 | C28 | H16 | 171.8° | 88.7° |
| C14 | C10 | C11 | H18 | 151.3° | 179.1° |
| C13 | C14 | C28 | N1 | 66.4° | 84.4° |
| C14 | C13 | C27 | C12 | 118.3° | 113.4° |
| C14 | C13 | C27 | O6 | 127.3° | 129.1° |
| C14 | C13 | C27 | C26 | 167.6° | 155.0° |
| C13 | C14 | C10 | C11 | 3.0° | 21.5° |
| C14 | C13 | C12 | O6 | 115.5° | 119.5° |
| C14 | C13 | C12 | C11 | 36.4° | 30.9° |
| C14 | C13 | O6 | C30 | 67.8° | 35.3° |
| C13 | C14 | C15 | H6 | 63.2° | 179.3° |
| C13 | C14 | C15 | H7 | 177.4° | 60.6° |
| C13 | C14 | C28 | H15 | 172.8° | 37.3° |
| C13 | C14 | C28 | H16 | 54.4° | 154.3° |
| C14 | C13 | C12 | H20 | 155.0° | 149.4° |
| C14 | C13 | C12 | H21 | 82.0° | 87.5° |
| C28 | N1 | C31 | C29 | 124.7° | 125.3° |
| C28 | N1 | C29 | C30 | 40.7° | 62.4° |
| N1 | C28 | H15 | H16 | 117.6° | 117.1° |
| C28 | N1 | C29 | H32 | 160.8° | 177.3° |
| C28 | N1 | C29 | H33 | 79.4° | 57.7° |
| C28 | N1 | C31 | H37 | 180.0° | 179.6° |
| C28 | N1 | C31 | H38 | 60.0° | 60.4° |
| C28 | N1 | C31 | H39 | 60.0° | 59.7° |
| C13 | C27 | C26 | C25 | 164.4° | 177.7° |
| C27 | C13 | C12 | O6 | 117.9° | 118.5° |
| C27 | C13 | C12 | C11 | 163.1° | 152.9° |
| C27 | C13 | O6 | C30 | 62.4° | 165.1° |
| C13 | C27 | C26 | H13 | 15.6° | 2.4° |
| C27 | C13 | C12 | H20 | 78.4° | 88.6° |
| C27 | C13 | C12 | H21 | 44.6° | 34.5° |
| C27 | C26 | C25 | H13 | 180.0° | 179.9° |
| C26 | C27 | C13 | C12 | 74.2° | 91.6° |
| C26 | C27 | C13 | O6 | 40.3° | 26.0° |
| C27 | C26 | C25 | H29 | 88.2° | 118.1° |
| C27 | C26 | C25 | H30 | 151.7° | 123.7° |
| C10 | C11 | C12 | C13 | 42.8° | 19.5° |
| C10 | C11 | C12 | H18 | 180.0° | 180.0° |
| C11 | C10 | C8 | H4 | 93.9° | 114.7° |
| C10 | C11 | C12 | H20 | 161.3° | 138.0° |
| C10 | C11 | C12 | H21 | 75.7° | 98.9° |
| C26 | C25 | C24 | H12 | 172.4° | 155.4° |
| C26 | C25 | H29 | H30 | 120.2° | 118.3° |
| O2 | C7 | C6 | C5 | 0.6° | 174.9° |
| O2 | C7 | C6 | O1 | 177.5° | 180.0° |
| O2 | C7 | C6 | C1 | 178.9° | 5.1° |
| C7 | O2 | C8 | H4 | 172.9° | 34.7° |
| C13 | C12 | C11 | H20 | 118.5° | 118.5° |
| C13 | C12 | C11 | H21 | 118.5° | 118.4° |
| C12 | C13 | O6 | C30 | 175.8° | 75.9° |
| C13 | C12 | C11 | H18 | 137.2° | 160.5° |
| C13 | C12 | H20 | H21 | 124.3° | 123.1° |
| O6 | C13 | C12 | C11 | 79.0° | 88.6° |
| C13 | O6 | C30 | C29 | 102.7° | 86.9° |
| O6 | C13 | C12 | H20 | 39.5° | 29.9° |
| O6 | C13 | C12 | H21 | 162.5° | 153.0° |
| C13 | O6 | C30 | H35 | 17.5° | 34.5° |
| C13 | O6 | C30 | H36 | 137.1° | 151.8° |
| C31 | N1 | C29 | C30 | 164.9° | 172.8° |
| C31 | N1 | C28 | H15 | 17.8° | 81.3° |
| C31 | N1 | C28 | H16 | 100.6° | 35.7° |
| C31 | N1 | C29 | H32 | 75.0° | 52.6° |
| C31 | N1 | C29 | H33 | 44.9° | 67.1° |
| N1 | C31 | H37 | H38 | 120.0° | 120.0° |
| N1 | C31 | H37 | H39 | 120.0° | 119.9° |
| N1 | C31 | H38 | H39 | 120.0° | 120.0° |
| C11 | C12 | H20 | H21 | 124.3° | 123.1° |
| N1 | C29 | C30 | O6 | 44.6° | 77.7° |
| N1 | C29 | C30 | H32 | 120.1° | 120.3° |
| N1 | C29 | C30 | H33 | 120.1° | 120.2° |
| C29 | N1 | C28 | H15 | 141.7° | 43.4° |
| C29 | N1 | C28 | H16 | 23.3° | 160.5° |
| N1 | C29 | H32 | H33 | 119.7° | 119.6° |
| N1 | C29 | C30 | H35 | 75.6° | 43.6° |
| N1 | C29 | C30 | H36 | 164.8° | 160.9° |
| C29 | N1 | C31 | H37 | 55.4° | 54.3° |
| C29 | N1 | C31 | H38 | 175.3° | 174.3° |
| C29 | N1 | C31 | H39 | 64.6° | 65.6° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.7° | 179.9° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.2° | 0.1° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C5 | C4 | C3 | H34 | 180.0° | 179.7° |
| C5 | C6 | C7 | C1 | 179.5° | 180.0° |
| C5 | C6 | C7 | O1 | 178.1° | 5.1° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C5 | C6 | C1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.7° |
| C5 | C6 | C1 | H17 | 179.8° | 180.0° |
| C7 | C6 | C1 | C2 | 179.7° | 180.0° |
| C7 | C6 | C5 | H3 | 0.3° | 0.0° |
| C7 | C6 | C1 | H17 | 0.3° | 0.1° |
| O1 | C7 | C6 | C1 | 1.4° | 174.9° |
| C4 | C3 | C2 | H34 | 180.0° | 179.6° |
| C4 | C3 | C2 | C1 | 0.0° | 0.1° |
| C3 | C4 | C5 | H3 | 179.9° | 179.9° |
| C4 | C3 | C2 | H26 | 180.0° | 180.0° |
| O6 | C30 | C29 | H35 | 120.2° | 121.4° |
| O6 | C30 | C29 | H36 | 120.2° | 121.3° |
| O6 | C30 | C29 | H32 | 75.5° | 162.0° |
| O6 | C30 | C29 | H33 | 164.7° | 42.5° |
| O6 | C30 | H35 | H36 | 119.4° | 117.5° |
| C30 | C29 | H32 | H33 | 119.7° | 119.4° |
| C29 | C30 | H35 | H36 | 119.3° | 117.4° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H17 | 180.0° | 180.0° |
| C1 | C6 | C5 | H3 | 179.8° | 180.0° |
| C6 | C1 | C2 | H26 | 179.9° | 180.0° |
| C3 | C2 | C1 | H26 | 180.0° | 179.9° |
| C2 | C3 | C4 | H2 | 180.0° | 179.7° |
| C3 | C2 | C1 | H17 | 179.9° | 179.9° |
| C1 | C2 | C3 | H34 | 180.0° | 179.7° |
| H2 | C4 | C5 | H3 | 0.1° | 0.3° |
| H2 | C4 | C3 | H34 | 0.0° | 0.1° |
| H4 | C8 | C9 | H40 | 59.7° | 60.0° |
| H4 | C8 | C9 | H41 | 60.3° | 60.0° |
| H4 | C8 | C9 | H42 | 179.7° | 180.0° |
| H6 | C15 | C16 | H22 | 170.6° | 69.5° |
| H7 | C15 | C16 | H22 | 69.9° | 170.4° |
| H8 | C20 | C21 | H10 | 117.2° | 121.1° |
| H8 | C20 | C21 | H11 | 3.1° | 0.8° |
| H9 | C20 | C21 | H10 | 2.8° | 0.9° |
| H9 | C20 | C21 | H11 | 123.0° | 119.4° |
| H12 | C24 | C23 | H27 | 3.5° | 1.5° |
| H12 | C24 | C23 | H28 | 123.4° | 121.7° |
| H12 | C24 | C25 | H29 | 52.4° | 34.5° |
| H12 | C24 | C25 | H30 | 67.6° | 83.8° |
| H13 | C26 | C25 | H29 | 91.8° | 61.9° |
| H13 | C26 | C25 | H30 | 28.3° | 56.3° |
| H17 | C1 | C2 | H26 | 0.0° | 0.0° |
| H18 | C11 | C12 | H20 | 18.8° | 42.0° |
| H18 | C11 | C12 | H21 | 104.3° | 81.1° |
| H22 | C16 | O3 | H43 | 63.7° | 60.6° |
| H23 | C19 | H24 | H25 | 120.0° | 120.1° |
| H26 | C2 | C3 | H34 | 0.0° | 0.4° |
| H32 | C29 | C30 | H35 | 164.3° | 76.6° |
| H32 | C29 | C30 | H36 | 44.7° | 40.7° |
| H33 | C29 | C30 | H35 | 44.5° | 163.8° |
| H33 | C29 | C30 | H36 | 75.1° | 78.8° |
| H37 | C31 | H38 | H39 | 120.0° | 120.0° |
| H40 | C9 | H41 | H42 | 120.0° | 119.9° |
