A1LXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.51Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | O8 | sing | 1.36Å | 1.40Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| O12 | C11 | doub | 1.21Å | 1.27Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O7 | sing | 1.36Å | 1.40Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | O13 | sing | 1.34Å | 1.25Å | |
| C10 | O14 | sing | 1.45Å | 1.39Å | |
| O35 | C33 | doub | 1.21Å | 1.26Å | |
| O14 | C15 | sing | 1.34Å | 1.39Å | |
| C33 | O34 | sing | 1.34Å | 1.26Å | |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| O30 | C29 | doub | 1.21Å | 1.19Å | |
| C15 | O16 | doub | 1.21Å | 1.19Å | |
| C15 | C17 | sing | 1.51Å | 1.53Å | |
| C32 | C36 | sing | 1.53Å | 1.53Å | |
| C32 | O31 | sing | 1.45Å | 1.40Å | |
| C29 | O31 | sing | 1.34Å | 1.39Å | |
| C29 | C25 | sing | 1.51Å | 1.59Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C50 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C49 | C48 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.55Å | 1.53Å | |
| C25 | C24 | sing | 1.52Å | 1.38Å | |
| C42 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C45 | sing | 1.51Å | 1.42Å | |
| C26 | O27 | sing | 1.43Å | 1.55Å | |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C48 | O52 | sing | 1.36Å | 1.41Å | |
| C48 | C47 | doub | 1.39Å | 1.39Å | Aromatic |
| O44 | C41 | sing | 1.36Å | 1.40Å | |
| C24 | C19 | doub | 1.38Å | 1.56Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.17Å | Aromatic |
| C41 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| O27 | C23 | sing | 1.36Å | 1.49Å | |
| C19 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.55Å | Aromatic |
| C47 | O51 | sing | 1.36Å | 1.40Å | |
| C40 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | O43 | sing | 1.36Å | 1.40Å | |
| C20 | C21 | doub | 1.38Å | 1.34Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | O28 | sing | 1.36Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C36 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.08Å | 1.08Å | |
| C39 | H16 | sing | 1.08Å | 1.08Å | |
| C42 | H17 | sing | 1.08Å | 1.08Å | |
| C46 | H18 | sing | 1.08Å | 1.08Å | |
| C49 | H19 | sing | 1.08Å | 1.08Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| C50 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| O13 | H24 | sing | 0.97Å | 0.95Å | |
| O28 | H25 | sing | 0.97Å | 0.95Å | |
| O34 | H26 | sing | 0.97Å | 0.95Å | |
| O43 | H27 | sing | 0.97Å | 0.95Å | |
| O44 | H28 | sing | 0.97Å | 0.95Å | |
| O51 | H29 | sing | 0.97Å | 0.95Å | |
| O52 | H30 | sing | 0.97Å | 0.95Å | |
| O7 | H31 | sing | 0.97Å | 0.95Å | |
| O8 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 120.3° | 120.1° |
| C3 | C2 | C1 | 119.3° | 120.0° |
| C3 | C2 | H6 | 120.3° | 120.0° |
| C2 | C3 | H11 | 119.8° | 119.9° |
| C3 | C4 | C9 | 117.4° | 119.9° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C4 | C3 | H11 | 119.8° | 119.9° |
| C2 | C1 | O8 | 119.3° | 120.1° |
| C2 | C1 | C6 | 120.6° | 119.8° |
| C1 | C2 | H6 | 120.3° | 120.0° |
| C4 | C9 | C10 | 111.7° | 109.5° |
| C9 | C4 | C5 | 121.8° | 119.9° |
| C4 | C9 | H22 | 108.9° | 109.5° |
| C4 | C9 | H23 | 108.9° | 109.5° |
| C9 | C10 | C11 | 105.2° | 109.5° |
| C9 | C10 | O14 | 104.2° | 109.5° |
| C9 | C10 | H1 | 113.0° | 109.4° |
| C10 | C9 | H22 | 108.9° | 109.5° |
| C10 | C9 | H23 | 108.9° | 109.4° |
| C4 | C5 | C6 | 118.4° | 120.0° |
| C4 | C5 | H20 | 120.8° | 120.0° |
| O8 | C1 | C6 | 120.1° | 120.1° |
| C1 | O8 | H32 | 109.5° | 114.0° |
| C1 | C6 | C5 | 120.5° | 119.9° |
| C1 | C6 | O7 | 118.6° | 120.0° |
| O12 | C11 | C10 | 121.2° | 120.0° |
| O12 | C11 | O13 | 121.5° | 120.0° |
| C5 | C6 | O7 | 120.9° | 120.1° |
| C6 | C5 | H20 | 120.8° | 120.0° |
| C6 | O7 | H31 | 109.5° | 114.0° |
| C10 | C11 | O13 | 117.3° | 120.0° |
| C11 | C10 | O14 | 105.6° | 109.5° |
| C11 | C10 | H1 | 112.8° | 109.5° |
| C11 | O13 | H24 | 109.5° | 117.0° |
| C10 | O14 | C15 | 117.9° | 117.0° |
| O14 | C10 | H1 | 115.1° | 109.5° |
| O35 | C33 | O34 | 120.0° | 120.0° |
| O35 | C33 | C32 | 120.0° | 120.0° |
| O14 | C15 | O16 | 121.2° | 120.0° |
| O14 | C15 | C17 | 116.5° | 120.0° |
| O34 | C33 | C32 | 120.0° | 120.0° |
| C33 | O34 | H26 | 109.5° | 116.9° |
| C33 | C32 | C36 | 111.1° | 109.5° |
| C33 | C32 | O31 | 108.7° | 109.5° |
| C33 | C32 | H12 | 108.5° | 109.5° |
| O30 | C29 | O31 | 121.7° | 120.0° |
| O30 | C29 | C25 | 121.2° | 120.0° |
| O16 | C15 | C17 | 122.2° | 120.0° |
| C15 | C17 | C18 | 112.9° | 109.5° |
| C15 | C17 | H2 | 108.6° | 109.4° |
| C15 | C17 | H3 | 108.6° | 109.6° |
| C36 | C32 | O31 | 109.9° | 109.5° |
| C32 | C36 | C37 | 110.9° | 109.5° |
| C36 | C32 | H12 | 108.4° | 109.4° |
| C32 | C36 | H13 | 109.1° | 109.5° |
| C32 | C36 | H14 | 109.1° | 109.4° |
| C32 | O31 | C29 | 112.2° | 117.0° |
| O31 | C32 | H12 | 110.3° | 109.4° |
| O31 | C29 | C25 | 117.2° | 120.0° |
| C29 | C25 | C26 | 109.9° | 111.0° |
| C29 | C25 | C24 | 112.4° | 110.5° |
| C29 | C25 | H9 | 109.1° | 110.8° |
| C17 | C18 | C19 | 118.9° | 109.5° |
| C18 | C17 | H2 | 108.6° | 109.5° |
| C18 | C17 | H3 | 108.6° | 109.4° |
| C17 | C18 | H4 | 107.1° | 109.5° |
| C17 | C18 | H5 | 107.1° | 109.5° |
| C36 | C37 | C42 | 119.2° | 119.9° |
| C36 | C37 | C38 | 120.6° | 119.9° |
| C37 | C36 | H13 | 109.1° | 109.5° |
| C37 | C36 | H14 | 109.1° | 109.5° |
| C49 | C50 | C45 | 120.2° | 120.2° |
| C50 | C49 | C48 | 120.4° | 120.0° |
| C50 | C49 | H19 | 119.8° | 120.0° |
| C49 | C50 | H21 | 119.9° | 120.0° |
| C50 | C45 | C26 | 119.7° | 119.9° |
| C50 | C45 | C46 | 119.3° | 120.1° |
| C45 | C50 | H21 | 119.9° | 119.9° |
| C49 | C48 | O52 | 120.6° | 120.1° |
| C49 | C48 | C47 | 119.5° | 119.9° |
| C48 | C49 | H19 | 119.8° | 120.0° |
| C26 | C25 | C24 | 103.1° | 102.0° |
| C25 | C26 | C45 | 108.7° | 110.8° |
| C25 | C26 | O27 | 103.9° | 102.9° |
| C26 | C25 | H9 | 109.9° | 111.0° |
| C25 | C26 | H10 | 111.8° | 110.7° |
| C25 | C24 | C19 | 127.6° | 132.2° |
| C25 | C24 | C23 | 113.9° | 107.0° |
| C24 | C25 | H9 | 112.2° | 111.3° |
| C37 | C42 | C41 | 119.8° | 120.0° |
| C42 | C37 | C38 | 120.2° | 120.2° |
| C37 | C42 | H17 | 120.1° | 120.0° |
| C42 | C41 | O44 | 120.3° | 120.1° |
| C42 | C41 | C40 | 120.1° | 119.9° |
| C41 | C42 | H17 | 120.1° | 120.0° |
| C45 | C26 | O27 | 107.0° | 110.3° |
| C26 | C45 | C46 | 121.0° | 119.9° |
| C45 | C26 | H10 | 113.5° | 110.7° |
| C26 | O27 | C23 | 95.9° | 109.3° |
| O27 | C26 | H10 | 111.4° | 111.2° |
| C37 | C38 | C39 | 119.9° | 120.1° |
| C37 | C38 | H15 | 120.0° | 119.9° |
| C45 | C46 | C47 | 120.5° | 120.0° |
| C45 | C46 | H18 | 119.8° | 120.0° |
| C18 | C19 | C24 | 126.9° | 120.0° |
| C18 | C19 | C20 | 114.0° | 119.9° |
| C19 | C18 | H4 | 107.1° | 109.4° |
| C19 | C18 | H5 | 107.1° | 109.5° |
| O52 | C48 | C47 | 119.9° | 120.1° |
| C48 | O52 | H30 | 109.5° | 114.0° |
| C48 | C47 | C46 | 120.1° | 119.8° |
| C48 | C47 | O51 | 118.7° | 120.1° |
| O44 | C41 | C40 | 119.6° | 120.1° |
| C41 | O44 | H28 | 109.5° | 114.0° |
| C19 | C24 | C23 | 118.5° | 120.8° |
| C24 | C19 | C20 | 119.0° | 120.1° |
| C24 | C23 | O27 | 117.9° | 111.3° |
| C24 | C23 | C22 | 122.3° | 118.8° |
| C41 | C40 | C39 | 120.1° | 119.8° |
| C41 | C40 | O43 | 119.2° | 120.1° |
| O27 | C23 | C22 | 119.8° | 129.9° |
| C19 | C20 | C21 | 121.6° | 119.8° |
| C19 | C20 | H7 | 119.2° | 120.1° |
| C38 | C39 | C40 | 119.9° | 120.0° |
| C39 | C38 | H15 | 120.1° | 119.9° |
| C38 | C39 | H16 | 120.1° | 120.0° |
| C46 | C47 | O51 | 121.2° | 120.1° |
| C47 | C46 | H18 | 119.8° | 120.0° |
| C23 | C22 | C21 | 118.0° | 120.2° |
| C23 | C22 | O28 | 119.4° | 119.9° |
| C47 | O51 | H29 | 109.5° | 113.9° |
| C39 | C40 | O43 | 120.7° | 120.1° |
| C40 | C39 | H16 | 120.0° | 120.0° |
| C40 | O43 | H27 | 109.5° | 114.0° |
| C20 | C21 | C22 | 120.4° | 120.3° |
| C21 | C20 | H7 | 119.2° | 120.1° |
| C20 | C21 | H8 | 119.8° | 119.9° |
| C21 | C22 | O28 | 122.6° | 119.9° |
| C22 | C21 | H8 | 119.8° | 119.9° |
| C22 | O28 | H25 | 109.5° | 114.0° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C18 | H5 | 109.5° | 109.5° |
| H13 | C36 | H14 | 109.5° | 109.4° |
| H22 | C9 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H11 | 180.0° | 179.9° |
| C3 | C2 | C1 | H6 | 180.0° | 179.9° |
| C2 | C3 | C4 | C9 | 178.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C3 | C2 | C1 | O8 | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.2° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C3 | C4 | C9 | C5 | 178.6° | 180.0° |
| C3 | C4 | C9 | C10 | 90.6° | 90.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.2° |
| C4 | C3 | C2 | H6 | 179.6° | 179.9° |
| C3 | C4 | C5 | H20 | 179.6° | 180.0° |
| C3 | C4 | C9 | H22 | 149.0° | 30.0° |
| C3 | C4 | C9 | H23 | 29.7° | 150.1° |
| C2 | C1 | O8 | C6 | 179.8° | 179.8° |
| C2 | C1 | C6 | C5 | 0.3° | 0.5° |
| C2 | C1 | C6 | O7 | 179.7° | 179.8° |
| C1 | C2 | C3 | H11 | 179.6° | 180.0° |
| C2 | C1 | O8 | H32 | 180.0° | 89.8° |
| C4 | C9 | C10 | H22 | 120.4° | 120.0° |
| C4 | C9 | C10 | H23 | 120.3° | 120.0° |
| C9 | C4 | C5 | C6 | 178.9° | 179.8° |
| C4 | C9 | C10 | C11 | 158.4° | 175.0° |
| C4 | C9 | C10 | O14 | 90.7° | 65.0° |
| C4 | C9 | C10 | H1 | 35.0° | 55.0° |
| C9 | C4 | C3 | H11 | 1.0° | 0.1° |
| C9 | C4 | C5 | H20 | 1.1° | 0.1° |
| C4 | C9 | H22 | H23 | 119.0° | 120.0° |
| C10 | C9 | C4 | C5 | 90.8° | 90.0° |
| C9 | C10 | C11 | O12 | 57.2° | 117.0° |
| C9 | C10 | C11 | O14 | 109.9° | 120.0° |
| C9 | C10 | C11 | H1 | 123.6° | 120.0° |
| C9 | C10 | C11 | O13 | 123.5° | 63.0° |
| C9 | C10 | O14 | H1 | 124.3° | 120.0° |
| C9 | C10 | O14 | C15 | 159.4° | 149.1° |
| C10 | C9 | H22 | H23 | 118.9° | 120.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.5° |
| C4 | C5 | C6 | H20 | 180.0° | 179.8° |
| C4 | C5 | C6 | O7 | 179.6° | 179.7° |
| C5 | C4 | C3 | H11 | 179.6° | 180.0° |
| C5 | C4 | C9 | H22 | 29.5° | 150.0° |
| C5 | C4 | C9 | H23 | 148.9° | 30.0° |
| O8 | C1 | C6 | C5 | 179.9° | 179.7° |
| O8 | C1 | C6 | O7 | 0.2° | 0.1° |
| O8 | C1 | C2 | H6 | 0.2° | 0.0° |
| C1 | C6 | C5 | O7 | 180.0° | 179.7° |
| C6 | C1 | C2 | H6 | 179.7° | 179.8° |
| C1 | C6 | C5 | H20 | 179.7° | 179.7° |
| C1 | C6 | O7 | H31 | 180.0° | 90.1° |
| C6 | C1 | O8 | H32 | 0.2° | 90.0° |
| O12 | C11 | C10 | O13 | 179.3° | 180.0° |
| O12 | C11 | C10 | O14 | 167.1° | 3.0° |
| O12 | C11 | C10 | H1 | 66.4° | 123.0° |
| O12 | C11 | O13 | H24 | 0.0° | 0.0° |
| C5 | C6 | O7 | H31 | 0.0° | 89.7° |
| O7 | C6 | C5 | H20 | 0.4° | 0.1° |
| C11 | C10 | O14 | H1 | 125.1° | 120.0° |
| C11 | C10 | O14 | C15 | 90.0° | 90.9° |
| C11 | C10 | C9 | H22 | 81.2° | 55.0° |
| C11 | C10 | C9 | H23 | 38.1° | 65.0° |
| C10 | C11 | O13 | H24 | 179.3° | 180.0° |
| O13 | C11 | C10 | O14 | 13.6° | 176.9° |
| O13 | C11 | C10 | H1 | 112.9° | 56.9° |
| C10 | O14 | C15 | O16 | 22.3° | 2.7° |
| C10 | O14 | C15 | C17 | 156.9° | 177.3° |
| O14 | C10 | C9 | H22 | 29.7° | 175.0° |
| O14 | C10 | C9 | H23 | 149.0° | 55.0° |
| O35 | C33 | O34 | C32 | 179.3° | 179.9° |
| O35 | C33 | C32 | C36 | 57.4° | 115.0° |
| O35 | C33 | C32 | O31 | 178.4° | 5.1° |
| O35 | C33 | C32 | H12 | 61.6° | 125.0° |
| O35 | C33 | O34 | H26 | 0.0° | 0.0° |
| O14 | C15 | O16 | C17 | 179.2° | 179.9° |
| O14 | C15 | C17 | C18 | 164.6° | 174.4° |
| C15 | O14 | C10 | H1 | 35.1° | 29.1° |
| O14 | C15 | C17 | H2 | 74.9° | 54.4° |
| O14 | C15 | C17 | H3 | 44.1° | 65.6° |
| O34 | C33 | C32 | C36 | 123.3° | 65.0° |
| O34 | C33 | C32 | O31 | 2.3° | 175.0° |
| O34 | C33 | C32 | H12 | 117.7° | 55.0° |
| C33 | C32 | C36 | O31 | 120.4° | 120.0° |
| C33 | C32 | C36 | H12 | 119.1° | 120.0° |
| C33 | C32 | O31 | H12 | 118.8° | 120.0° |
| C33 | C32 | O31 | C29 | 91.5° | 83.8° |
| C33 | C32 | C36 | C37 | 72.5° | 174.8° |
| C33 | C32 | C36 | H13 | 167.3° | 54.7° |
| C33 | C32 | C36 | H14 | 47.7° | 65.2° |
| C32 | C33 | O34 | H26 | 179.3° | 180.0° |
| O30 | C29 | O31 | C32 | 21.9° | 3.8° |
| O30 | C29 | O31 | C25 | 179.2° | 180.0° |
| O30 | C29 | C25 | C26 | 92.8° | 23.7° |
| O30 | C29 | C25 | C24 | 152.9° | 88.7° |
| O30 | C29 | C25 | H9 | 27.7° | 147.5° |
| O16 | C15 | C17 | C18 | 16.1° | 5.7° |
| O16 | C15 | C17 | H2 | 104.4° | 125.7° |
| O16 | C15 | C17 | H3 | 136.6° | 114.3° |
| C15 | C17 | C18 | H2 | 120.5° | 120.0° |
| C15 | C17 | C18 | H3 | 120.5° | 120.1° |
| C15 | C17 | C18 | C19 | 177.4° | 174.3° |
| C15 | C17 | H2 | H3 | 118.4° | 120.1° |
| C15 | C17 | C18 | H4 | 61.2° | 65.7° |
| C15 | C17 | C18 | H5 | 56.1° | 54.3° |
| C36 | C32 | O31 | H12 | 119.4° | 119.9° |
| C36 | C32 | O31 | C29 | 146.7° | 156.1° |
| C32 | C36 | C37 | H13 | 120.2° | 120.0° |
| C32 | C36 | C37 | H14 | 120.2° | 120.0° |
| C32 | C36 | C37 | C42 | 97.5° | 91.2° |
| C32 | C36 | C37 | C38 | 83.0° | 89.1° |
| C32 | C36 | H13 | H14 | 119.4° | 119.9° |
| C32 | O31 | C29 | C25 | 157.3° | 176.2° |
| O31 | C32 | C36 | C37 | 47.8° | 65.2° |
| O31 | C32 | C36 | H13 | 72.4° | 174.7° |
| O31 | C32 | C36 | H14 | 168.0° | 54.8° |
| O31 | C29 | C25 | C26 | 87.9° | 156.3° |
| O31 | C29 | C25 | C24 | 26.3° | 91.3° |
| O31 | C29 | C25 | H9 | 151.5° | 32.5° |
| C29 | O31 | C32 | H12 | 27.3° | 36.2° |
| C29 | C25 | C26 | C24 | 120.1° | 117.7° |
| C29 | C25 | C26 | H9 | 120.1° | 123.7° |
| C29 | C25 | C24 | H9 | 123.5° | 123.6° |
| C29 | C25 | C26 | C45 | 148.2° | 149.2° |
| C29 | C25 | C26 | O27 | 98.0° | 92.9° |
| C29 | C25 | C24 | C19 | 76.9° | 77.6° |
| C29 | C25 | C24 | C23 | 104.2° | 103.1° |
| C29 | C25 | C26 | H10 | 22.2° | 26.0° |
| C17 | C18 | C19 | H4 | 121.4° | 120.0° |
| C17 | C18 | C19 | H5 | 121.3° | 120.0° |
| C17 | C18 | C19 | C24 | 40.1° | 174.3° |
| C17 | C18 | C19 | C20 | 140.4° | 6.0° |
| C18 | C17 | H2 | H3 | 118.5° | 120.0° |
| C17 | C18 | H4 | H5 | 115.7° | 120.0° |
| C36 | C37 | C42 | C38 | 179.4° | 179.7° |
| C36 | C37 | C42 | C41 | 179.7° | 179.8° |
| C36 | C37 | C38 | C39 | 179.9° | 180.0° |
| C37 | C36 | C32 | H12 | 168.4° | 54.7° |
| C37 | C36 | H13 | H14 | 119.4° | 120.0° |
| C36 | C37 | C38 | H15 | 0.0° | 0.1° |
| C36 | C37 | C42 | H17 | 0.3° | 0.0° |
| C49 | C50 | C45 | H21 | 180.0° | 179.4° |
| C50 | C49 | C48 | H19 | 180.0° | 179.7° |
| C49 | C50 | C45 | C26 | 178.8° | 179.7° |
| C49 | C50 | C45 | C46 | 0.4° | 0.5° |
| C50 | C49 | C48 | O52 | 179.8° | 179.7° |
| C50 | C49 | C48 | C47 | 0.2° | 0.3° |
| C45 | C50 | C49 | C48 | 0.0° | 0.6° |
| C50 | C45 | C26 | C25 | 68.3° | 84.7° |
| C50 | C45 | C26 | C46 | 178.4° | 179.8° |
| C50 | C45 | C26 | O27 | 180.0° | 28.6° |
| C50 | C45 | C46 | C47 | 0.5° | 0.2° |
| C50 | C45 | C26 | H10 | 56.7° | 152.1° |
| C50 | C45 | C46 | H18 | 179.5° | 179.7° |
| C45 | C50 | C49 | H19 | 179.9° | 179.7° |
| C49 | C48 | O52 | C47 | 179.9° | 180.0° |
| C49 | C48 | C47 | C46 | 0.1° | 0.0° |
| C49 | C48 | C47 | O51 | 179.9° | 179.9° |
| C48 | C49 | C50 | H21 | 180.0° | 180.0° |
| C49 | C48 | O52 | H30 | 180.0° | 90.1° |
| C26 | C25 | C24 | H9 | 118.2° | 118.4° |
| C25 | C26 | C45 | O27 | 111.6° | 113.3° |
| C25 | C26 | C45 | H10 | 125.0° | 123.2° |
| C25 | C26 | O27 | H10 | 120.5° | 118.6° |
| C25 | C26 | C45 | C46 | 110.0° | 95.0° |
| C26 | C25 | C24 | C19 | 164.7° | 164.4° |
| C26 | C25 | C24 | C23 | 14.1° | 14.9° |
| C25 | C26 | O27 | C23 | 20.7° | 27.3° |
| C24 | C25 | C26 | C45 | 91.7° | 93.1° |
| C24 | C25 | C26 | O27 | 22.0° | 24.8° |
| C25 | C24 | C19 | C18 | 0.9° | 0.8° |
| C25 | C24 | C19 | C23 | 178.8° | 179.2° |
| C25 | C24 | C23 | O27 | 0.8° | 1.3° |
| C25 | C24 | C19 | C20 | 178.7° | 179.4° |
| C25 | C24 | C23 | C22 | 178.2° | 179.4° |
| C24 | C25 | C26 | H10 | 142.3° | 143.7° |
| C37 | C42 | C41 | H17 | 180.0° | 179.8° |
| C37 | C42 | C41 | O44 | 179.7° | 179.7° |
| C37 | C42 | C41 | C40 | 0.1° | 0.4° |
| C42 | C37 | C38 | C39 | 0.5° | 0.3° |
| C42 | C37 | C36 | H13 | 142.2° | 148.7° |
| C42 | C37 | C36 | H14 | 22.7° | 28.7° |
| C42 | C37 | C38 | H15 | 179.5° | 179.8° |
| C41 | C42 | C37 | C38 | 0.3° | 0.5° |
| C42 | C41 | O44 | C40 | 179.6° | 179.8° |
| C42 | C41 | C40 | C39 | 0.3° | 0.1° |
| C42 | C41 | C40 | O43 | 179.8° | 179.8° |
| C42 | C41 | O44 | H28 | 180.0° | 89.8° |
| C45 | C26 | O27 | H10 | 124.6° | 123.2° |
| C45 | C26 | O27 | C23 | 94.2° | 90.9° |
| C26 | C45 | C46 | C47 | 178.9° | 180.0° |
| C45 | C26 | C25 | H9 | 28.1° | 25.5° |
| C26 | C45 | C46 | H18 | 1.1° | 0.0° |
| C26 | C45 | C50 | H21 | 1.2° | 0.3° |
| O27 | C26 | C45 | C46 | 1.6° | 151.7° |
| C26 | O27 | C23 | C24 | 14.8° | 18.9° |
| C26 | O27 | C23 | C22 | 164.2° | 161.9° |
| O27 | C26 | C25 | H9 | 141.8° | 143.4° |
| C37 | C38 | C39 | H15 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.4° | 0.0° |
| C38 | C37 | C36 | H13 | 37.2° | 30.9° |
| C38 | C37 | C36 | H14 | 156.8° | 150.9° |
| C37 | C38 | C39 | H16 | 179.6° | 179.9° |
| C38 | C37 | C42 | H17 | 179.7° | 179.7° |
| C45 | C46 | C47 | C48 | 0.3° | 0.1° |
| C45 | C46 | C47 | H18 | 180.0° | 179.9° |
| C45 | C46 | C47 | O51 | 179.5° | 180.0° |
| C46 | C45 | C26 | H10 | 124.9° | 28.2° |
| C46 | C45 | C50 | H21 | 179.6° | 180.0° |
| C18 | C19 | C24 | C20 | 179.6° | 179.8° |
| C18 | C19 | C24 | C23 | 179.8° | 180.0° |
| C18 | C19 | C20 | C21 | 178.9° | 180.0° |
| C19 | C18 | C17 | H2 | 56.9° | 54.4° |
| C19 | C18 | C17 | H3 | 62.1° | 65.6° |
| C19 | C18 | H4 | H5 | 115.7° | 120.0° |
| C18 | C19 | C20 | H7 | 1.1° | 0.0° |
| O52 | C48 | C47 | C46 | 179.9° | 179.9° |
| O52 | C48 | C47 | O51 | 0.1° | 0.1° |
| O52 | C48 | C49 | H19 | 0.1° | 0.0° |
| C48 | C47 | C46 | O51 | 179.8° | 179.9° |
| C48 | C47 | C46 | H18 | 179.8° | 180.0° |
| C47 | C48 | C49 | H19 | 179.8° | 180.0° |
| C48 | C47 | O51 | H29 | 180.0° | 90.1° |
| C47 | C48 | O52 | H30 | 0.1° | 89.9° |
| O44 | C41 | C40 | C39 | 179.8° | 180.0° |
| O44 | C41 | C40 | O43 | 0.6° | 0.0° |
| O44 | C41 | C42 | H17 | 0.3° | 0.1° |
| C19 | C24 | C23 | O27 | 179.8° | 179.3° |
| C19 | C24 | C23 | C22 | 0.8° | 0.0° |
| C24 | C19 | C20 | C21 | 0.7° | 0.3° |
| C24 | C19 | C18 | H4 | 81.3° | 65.7° |
| C24 | C19 | C18 | H5 | 161.4° | 54.3° |
| C24 | C19 | C20 | H7 | 179.3° | 179.8° |
| C19 | C24 | C25 | H9 | 46.6° | 46.0° |
| C24 | C23 | O27 | C22 | 179.0° | 179.2° |
| C23 | C24 | C19 | C20 | 0.2° | 0.2° |
| C24 | C23 | C22 | C21 | 0.7° | 0.0° |
| C24 | C23 | C22 | O28 | 179.2° | 179.9° |
| C23 | C24 | C25 | H9 | 132.3° | 133.3° |
| C41 | C40 | C39 | C38 | 0.0° | 0.1° |
| C41 | C40 | C39 | O43 | 179.5° | 179.9° |
| C41 | C40 | C39 | H16 | 180.0° | 180.0° |
| C40 | C41 | C42 | H17 | 179.9° | 179.7° |
| C41 | C40 | O43 | H27 | 180.0° | 90.0° |
| C40 | C41 | O44 | H28 | 0.4° | 90.0° |
| O27 | C23 | C22 | C21 | 179.7° | 179.1° |
| O27 | C23 | C22 | O28 | 0.2° | 0.9° |
| C23 | O27 | C26 | H10 | 141.1° | 145.9° |
| C19 | C20 | C21 | H7 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.2° |
| C20 | C19 | C18 | H4 | 98.3° | 114.0° |
| C20 | C19 | C18 | H5 | 19.0° | 126.0° |
| C19 | C20 | C21 | H8 | 179.2° | 179.8° |
| C38 | C39 | C40 | H16 | 180.0° | 179.9° |
| C38 | C39 | C40 | O43 | 179.5° | 180.0° |
| C46 | C47 | O51 | H29 | 0.2° | 90.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | O28 | 179.9° | 180.0° |
| C23 | C22 | C21 | H8 | 179.8° | 179.9° |
| C23 | C22 | O28 | H25 | 180.0° | 90.0° |
| O51 | C47 | C46 | H18 | 0.4° | 0.1° |
| C40 | C39 | C38 | H15 | 179.6° | 179.9° |
| C39 | C40 | O43 | H27 | 0.5° | 90.0° |
| O43 | C40 | C39 | H16 | 0.5° | 0.1° |
| C20 | C21 | C22 | H8 | 180.0° | 180.0° |
| C20 | C21 | C22 | O28 | 179.9° | 180.0° |
| C22 | C21 | C20 | H7 | 179.2° | 179.8° |
| C21 | C22 | O28 | H25 | 0.1° | 90.0° |
| O28 | C22 | C21 | H8 | 0.1° | 0.0° |
| H1 | C10 | C9 | H22 | 155.3° | 65.0° |
| H1 | C10 | C9 | H23 | 85.4° | 175.0° |
| H2 | C17 | C18 | H4 | 178.3° | 174.4° |
| H2 | C17 | C18 | H5 | 64.4° | 65.6° |
| H3 | C17 | C18 | H4 | 59.3° | 54.4° |
| H3 | C17 | C18 | H5 | 176.6° | 174.4° |
| H6 | C2 | C3 | H11 | 0.4° | 0.1° |
| H7 | C20 | C21 | H8 | 0.8° | 0.2° |
| H9 | C25 | C26 | H10 | 97.9° | 97.7° |
| H12 | C32 | C36 | H13 | 48.2° | 65.3° |
| H12 | C32 | C36 | H14 | 71.4° | 174.7° |
| H15 | C38 | C39 | H16 | 0.4° | 0.0° |
| H19 | C49 | C50 | H21 | 0.1° | 0.3° |
