BKM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| O28 | C29 | sing | 1.34Å | 1.42Å | |
| O28 | C26 | sing | 1.45Å | 1.40Å | |
| C29 | O30 | doub | 1.21Å | 1.19Å | |
| C29 | C31 | sing | 1.51Å | 1.55Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| O33 | C32 | sing | 1.43Å | 1.39Å | |
| C32 | C34 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| O20 | C19 | doub | 1.21Å | 1.19Å | |
| O06 | C05 | doub | 1.21Å | 1.19Å | |
| O16 | C15 | sing | 1.43Å | 1.39Å | |
| C22 | O23 | sing | 1.43Å | 1.39Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C08 | C10 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.48Å | 1.54Å | |
| C34 | C38 | doub | 1.34Å | 1.34Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| O37 | C35 | doub | 1.21Å | 1.26Å | |
| C13 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C35 | O36 | sing | 1.35Å | 1.26Å | |
| C19 | C21 | sing | 1.51Å | 1.56Å | |
| C19 | C17 | sing | 1.51Å | 1.54Å | |
| C39 | C38 | sing | 1.51Å | 1.54Å | |
| C05 | C07 | sing | 1.51Å | 1.56Å | |
| C05 | C04 | sing | 1.41Å | 1.54Å | |
| C38 | C40 | sing | 1.48Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | doub | 1.36Å | 1.34Å | |
| C43 | C03 | sing | 1.51Å | 1.55Å | |
| C43 | C44 | sing | 1.53Å | 1.55Å | |
| C40 | O42 | doub | 1.21Å | 1.26Å | |
| C40 | O41 | sing | 1.35Å | 1.26Å | |
| C03 | C02 | sing | 1.46Å | 1.54Å | |
| C01 | C02 | doub | 1.34Å | 1.33Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H45 | sing | 1.09Å | 1.10Å | |
| C44 | H46 | sing | 1.09Å | 1.10Å | |
| C44 | H47 | sing | 1.09Å | 1.10Å | |
| O16 | H48 | sing | 0.97Å | 0.95Å | |
| O23 | H49 | sing | 0.97Å | 0.95Å | |
| O33 | H50 | sing | 0.97Å | 0.95Å | |
| O36 | H51 | sing | 0.97Å | 0.95Å | |
| O41 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | O28 | 108.9° | 109.4° |
| C27 | C26 | C24 | 110.3° | 109.5° |
| C27 | C26 | H33 | 108.9° | 109.4° |
| C26 | C27 | H34 | 109.5° | 109.5° |
| C26 | C27 | H35 | 109.5° | 109.5° |
| C26 | C27 | H36 | 109.5° | 109.4° |
| C29 | O28 | C26 | 114.3° | 117.0° |
| O28 | C29 | O30 | 120.1° | 120.0° |
| O28 | C29 | C31 | 119.8° | 120.0° |
| O28 | C26 | C24 | 109.2° | 109.5° |
| O28 | C26 | H33 | 110.7° | 109.5° |
| O30 | C29 | C31 | 120.1° | 120.0° |
| C29 | C31 | C32 | 111.6° | 109.5° |
| C29 | C31 | H37 | 108.9° | 109.4° |
| C29 | C31 | H38 | 108.9° | 109.5° |
| C26 | C24 | C25 | 110.2° | 109.4° |
| C26 | C24 | C22 | 109.4° | 109.4° |
| C26 | C24 | H29 | 109.2° | 109.4° |
| C24 | C26 | H33 | 108.9° | 109.5° |
| C31 | C32 | O33 | 109.6° | 109.5° |
| C31 | C32 | C34 | 109.6° | 109.4° |
| C32 | C31 | H37 | 108.9° | 109.5° |
| C32 | C31 | H38 | 109.0° | 109.5° |
| C31 | C32 | H39 | 108.8° | 109.5° |
| C25 | C24 | C22 | 109.9° | 109.5° |
| C25 | C24 | H29 | 109.1° | 109.5° |
| C24 | C25 | H30 | 109.5° | 109.5° |
| C24 | C25 | H31 | 109.5° | 109.4° |
| C24 | C25 | H32 | 109.5° | 109.4° |
| C24 | C22 | O23 | 109.4° | 109.5° |
| C24 | C22 | C21 | 110.6° | 109.4° |
| C24 | C22 | H28 | 108.7° | 109.5° |
| C22 | C24 | H29 | 109.1° | 109.5° |
| O33 | C32 | C34 | 109.2° | 109.5° |
| O33 | C32 | H39 | 110.8° | 109.5° |
| C32 | O33 | H50 | 109.5° | 114.0° |
| C32 | C34 | C35 | 119.0° | 120.0° |
| C32 | C34 | C38 | 119.9° | 120.0° |
| C34 | C32 | H39 | 108.8° | 109.5° |
| C09 | C08 | C10 | 107.8° | 109.5° |
| C09 | C08 | C07 | 110.6° | 109.4° |
| C09 | C08 | H7 | 109.6° | 109.5° |
| C08 | C09 | H8 | 109.5° | 109.5° |
| C08 | C09 | H9 | 109.5° | 109.5° |
| C08 | C09 | H10 | 109.5° | 109.5° |
| O20 | C19 | C21 | 120.2° | 120.0° |
| O20 | C19 | C17 | 120.0° | 120.0° |
| O06 | C05 | C07 | 120.5° | 120.0° |
| O06 | C05 | C04 | 117.9° | 120.0° |
| O16 | C15 | C14 | 109.4° | 109.5° |
| O16 | C15 | C17 | 108.9° | 109.5° |
| O16 | C15 | H21 | 110.7° | 109.5° |
| C15 | O16 | H48 | 109.5° | 113.9° |
| O23 | C22 | C21 | 108.9° | 109.5° |
| O23 | C22 | H28 | 110.7° | 109.5° |
| C22 | O23 | H49 | 109.5° | 114.0° |
| C22 | C21 | C19 | 113.4° | 109.5° |
| C22 | C21 | H26 | 108.5° | 109.5° |
| C22 | C21 | H27 | 108.5° | 109.5° |
| C21 | C22 | H28 | 108.6° | 109.4° |
| C10 | C08 | C07 | 109.9° | 109.5° |
| C08 | C10 | C11 | 113.9° | 109.5° |
| C10 | C08 | H7 | 109.4° | 109.5° |
| C08 | C10 | H11 | 108.3° | 109.4° |
| C08 | C10 | H12 | 108.4° | 109.5° |
| C08 | C07 | C05 | 112.7° | 109.5° |
| C08 | C07 | H5 | 108.6° | 109.4° |
| C08 | C07 | H6 | 108.7° | 109.5° |
| C07 | C08 | H7 | 109.5° | 109.5° |
| C35 | C34 | C38 | 121.2° | 120.0° |
| C34 | C35 | O37 | 118.9° | 120.0° |
| C34 | C35 | O36 | 121.4° | 120.0° |
| C34 | C38 | C39 | 119.9° | 120.0° |
| C34 | C38 | C40 | 120.8° | 120.0° |
| C10 | C11 | C13 | 110.4° | 109.5° |
| C10 | C11 | C12 | 108.2° | 109.5° |
| C11 | C10 | H11 | 108.4° | 109.5° |
| C11 | C10 | H12 | 108.4° | 109.5° |
| C10 | C11 | H13 | 109.6° | 109.5° |
| O37 | C35 | O36 | 119.7° | 120.0° |
| C11 | C13 | C14 | 112.1° | 109.5° |
| C13 | C11 | C12 | 109.1° | 109.4° |
| C13 | C11 | H13 | 109.6° | 109.5° |
| C11 | C13 | H17 | 108.8° | 109.5° |
| C11 | C13 | H18 | 108.8° | 109.5° |
| C13 | C14 | C15 | 112.8° | 109.5° |
| C14 | C13 | H17 | 108.8° | 109.5° |
| C14 | C13 | H18 | 108.8° | 109.5° |
| C13 | C14 | H19 | 108.6° | 109.5° |
| C13 | C14 | H20 | 108.7° | 109.5° |
| C14 | C15 | C17 | 110.5° | 109.5° |
| C15 | C14 | H19 | 108.7° | 109.4° |
| C15 | C14 | H20 | 108.6° | 109.4° |
| C14 | C15 | H21 | 108.5° | 109.5° |
| C15 | C17 | C19 | 109.5° | 109.5° |
| C15 | C17 | C18 | 110.2° | 109.4° |
| C17 | C15 | H21 | 108.8° | 109.5° |
| C15 | C17 | H22 | 109.5° | 109.5° |
| C35 | O36 | H51 | 109.5° | 117.1° |
| C21 | C19 | C17 | 119.8° | 120.0° |
| C19 | C21 | H26 | 108.5° | 109.4° |
| C19 | C21 | H27 | 108.5° | 109.5° |
| C19 | C17 | C18 | 108.8° | 109.5° |
| C19 | C17 | H22 | 109.3° | 109.5° |
| C39 | C38 | C40 | 119.3° | 120.0° |
| C38 | C39 | H40 | 109.5° | 109.5° |
| C38 | C39 | H41 | 109.5° | 109.4° |
| C38 | C39 | H42 | 109.5° | 109.4° |
| C07 | C05 | C04 | 121.6° | 120.0° |
| C05 | C07 | H5 | 108.7° | 109.5° |
| C05 | C07 | H6 | 108.6° | 109.5° |
| C05 | C04 | C03 | 120.4° | 120.0° |
| C05 | C04 | H4 | 119.8° | 120.0° |
| C38 | C40 | O42 | 118.9° | 120.0° |
| C38 | C40 | O41 | 120.9° | 120.0° |
| C12 | C11 | H13 | 109.9° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.4° | 109.5° |
| C18 | C17 | H22 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.4° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C04 | C03 | C43 | 121.2° | 120.1° |
| C04 | C03 | C02 | 118.5° | 120.0° |
| C03 | C04 | H4 | 119.8° | 120.0° |
| C03 | C43 | C44 | 114.0° | 109.5° |
| C43 | C03 | C02 | 120.3° | 120.0° |
| C03 | C43 | H43 | 108.3° | 109.5° |
| C03 | C43 | H44 | 108.3° | 109.4° |
| C44 | C43 | H43 | 108.3° | 109.5° |
| C44 | C43 | H44 | 108.3° | 109.4° |
| C43 | C44 | H45 | 109.5° | 109.4° |
| C43 | C44 | H46 | 109.5° | 109.5° |
| C43 | C44 | H47 | 109.5° | 109.5° |
| O42 | C40 | O41 | 120.2° | 120.0° |
| C40 | O41 | H52 | 109.5° | 117.0° |
| C03 | C02 | C01 | 118.3° | 120.0° |
| C03 | C02 | H3 | 120.8° | 120.1° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C02 | C01 | H2 | 120.0° | 120.0° |
| C01 | C02 | H3 | 120.9° | 120.0° |
| H1 | C01 | H2 | 120.0° | 120.0° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.4° | 109.5° |
| H8 | C09 | H10 | 109.5° | 109.4° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
| H17 | C13 | H18 | 109.4° | 109.4° |
| H19 | C14 | H20 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.4° | 109.5° |
| H23 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H30 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H34 | C27 | H36 | 109.5° | 109.5° |
| H35 | C27 | H36 | 109.4° | 109.5° |
| H37 | C31 | H38 | 109.4° | 109.5° |
| H40 | C39 | H41 | 109.5° | 109.5° |
| H40 | C39 | H42 | 109.5° | 109.5° |
| H41 | C39 | H42 | 109.5° | 109.5° |
| H43 | C43 | H44 | 109.5° | 109.5° |
| H45 | C44 | H46 | 109.5° | 109.5° |
| H45 | C44 | H47 | 109.4° | 109.5° |
| H46 | C44 | H47 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | O28 | C29 | 115.3° | 90.0° |
| C27 | C26 | O28 | C24 | 120.5° | 120.0° |
| C27 | C26 | O28 | H33 | 119.7° | 120.0° |
| C27 | C26 | C24 | H33 | 119.4° | 120.0° |
| C27 | C26 | C24 | C25 | 46.0° | 180.0° |
| C27 | C26 | C24 | C22 | 167.0° | 60.0° |
| C27 | C26 | C24 | H29 | 73.7° | 60.0° |
| C26 | C27 | H34 | H35 | 120.0° | 120.0° |
| C26 | C27 | H34 | H36 | 120.0° | 119.9° |
| C26 | C27 | H35 | H36 | 120.0° | 119.9° |
| O28 | C29 | O30 | C31 | 180.0° | 180.0° |
| C29 | O28 | C26 | C24 | 124.3° | 150.0° |
| O28 | C29 | C31 | C32 | 142.3° | 180.0° |
| C29 | O28 | C26 | H33 | 4.4° | 29.9° |
| O28 | C29 | C31 | H37 | 97.4° | 60.0° |
| O28 | C29 | C31 | H38 | 21.9° | 60.0° |
| C26 | O28 | C29 | O30 | 29.5° | 0.1° |
| C26 | O28 | C29 | C31 | 150.5° | 179.9° |
| O28 | C26 | C24 | H33 | 121.0° | 120.0° |
| O28 | C26 | C24 | C25 | 165.7° | 60.0° |
| O28 | C26 | C24 | C22 | 73.4° | 60.0° |
| O28 | C26 | C24 | H29 | 45.9° | 179.9° |
| O28 | C26 | C27 | H34 | 180.0° | 60.0° |
| O28 | C26 | C27 | H35 | 60.0° | 180.0° |
| O28 | C26 | C27 | H36 | 60.0° | 60.0° |
| O30 | C29 | C31 | C32 | 37.7° | 0.0° |
| O30 | C29 | C31 | H37 | 82.6° | 120.0° |
| O30 | C29 | C31 | H38 | 158.1° | 120.0° |
| C29 | C31 | C32 | H37 | 120.3° | 120.0° |
| C29 | C31 | C32 | H38 | 120.3° | 120.0° |
| C29 | C31 | C32 | O33 | 162.6° | 65.0° |
| C29 | C31 | C32 | C34 | 77.7° | 175.0° |
| C29 | C31 | H37 | H38 | 119.0° | 120.0° |
| C29 | C31 | C32 | H39 | 41.2° | 55.1° |
| C26 | C24 | C25 | C22 | 120.6° | 120.0° |
| C26 | C24 | C25 | H29 | 119.8° | 120.0° |
| C26 | C24 | C22 | H29 | 119.3° | 119.9° |
| C26 | C24 | C22 | O23 | 50.1° | 60.0° |
| C26 | C24 | C22 | C21 | 170.1° | 180.0° |
| C26 | C24 | C22 | H28 | 70.8° | 60.0° |
| C26 | C24 | C25 | H30 | 180.0° | 60.0° |
| C26 | C24 | C25 | H31 | 60.0° | 180.0° |
| C26 | C24 | C25 | H32 | 60.0° | 60.0° |
| C24 | C26 | C27 | H34 | 60.2° | 180.0° |
| C24 | C26 | C27 | H35 | 59.8° | 60.0° |
| C24 | C26 | C27 | H36 | 179.8° | 60.0° |
| C31 | C32 | O33 | C34 | 120.0° | 119.9° |
| C31 | C32 | O33 | H39 | 120.1° | 120.1° |
| C31 | C32 | C34 | H39 | 118.9° | 120.0° |
| C31 | C32 | C34 | C35 | 56.5° | 65.6° |
| C31 | C32 | C34 | C38 | 124.3° | 114.4° |
| C32 | C31 | H37 | H38 | 119.0° | 120.0° |
| C31 | C32 | O33 | H50 | 87.1° | 60.0° |
| C25 | C24 | C22 | H29 | 119.6° | 120.1° |
| C25 | C24 | C22 | O23 | 71.0° | 59.9° |
| C25 | C24 | C22 | C21 | 49.0° | 60.1° |
| C25 | C24 | C22 | H28 | 168.1° | 180.0° |
| C24 | C25 | H30 | H31 | 120.0° | 120.0° |
| C24 | C25 | H30 | H32 | 120.0° | 120.0° |
| C24 | C25 | H31 | H32 | 120.0° | 119.9° |
| C25 | C24 | C26 | H33 | 73.4° | 60.0° |
| C24 | C22 | O23 | C21 | 121.0° | 120.0° |
| C24 | C22 | O23 | H28 | 119.8° | 120.0° |
| C24 | C22 | C21 | H28 | 119.2° | 120.0° |
| C24 | C22 | C21 | C19 | 75.0° | 175.0° |
| C24 | C22 | C21 | H26 | 45.6° | 65.0° |
| C24 | C22 | C21 | H27 | 164.4° | 55.0° |
| C22 | C24 | C25 | H30 | 59.4° | 59.9° |
| C22 | C24 | C25 | H31 | 179.4° | 60.1° |
| C22 | C24 | C25 | H32 | 60.6° | 180.0° |
| C22 | C24 | C26 | H33 | 47.6° | 180.0° |
| C24 | C22 | O23 | H49 | 171.6° | 60.0° |
| O33 | C32 | C34 | H39 | 121.1° | 120.0° |
| O33 | C32 | C34 | C35 | 63.6° | 54.3° |
| O33 | C32 | C34 | C38 | 115.7° | 125.7° |
| O33 | C32 | C31 | H37 | 42.2° | 55.0° |
| O33 | C32 | C31 | H38 | 77.1° | 175.0° |
| C32 | C34 | C35 | C38 | 179.2° | 180.0° |
| C32 | C34 | C35 | O37 | 52.2° | 79.1° |
| C32 | C34 | C35 | O36 | 127.3° | 100.9° |
| C32 | C34 | C38 | C39 | 0.7° | 0.2° |
| C32 | C34 | C38 | C40 | 179.9° | 179.8° |
| C34 | C32 | C31 | H37 | 162.0° | 65.0° |
| C34 | C32 | C31 | H38 | 42.7° | 55.0° |
| C34 | C32 | O33 | H50 | 32.9° | 60.0° |
| C09 | C08 | C10 | C07 | 120.6° | 120.0° |
| C09 | C08 | C10 | H7 | 119.1° | 120.0° |
| C09 | C08 | C07 | H7 | 120.9° | 120.0° |
| C09 | C08 | C10 | C11 | 178.2° | 65.0° |
| C09 | C08 | C07 | C05 | 76.3° | 65.0° |
| C09 | C08 | C07 | H5 | 44.2° | 175.0° |
| C09 | C08 | C07 | H6 | 163.2° | 55.0° |
| C08 | C09 | H8 | H9 | 120.0° | 120.0° |
| C08 | C09 | H8 | H10 | 120.0° | 120.0° |
| C08 | C09 | H9 | H10 | 120.0° | 120.0° |
| C09 | C08 | C10 | H11 | 57.6° | 175.0° |
| C09 | C08 | C10 | H12 | 61.1° | 55.0° |
| O20 | C19 | C21 | C22 | 5.2° | 0.0° |
| O20 | C19 | C17 | C15 | 57.8° | 30.0° |
| O20 | C19 | C21 | C17 | 179.9° | 180.0° |
| O20 | C19 | C17 | C18 | 62.8° | 90.0° |
| O20 | C19 | C17 | H22 | 177.7° | 150.0° |
| O20 | C19 | C21 | H26 | 125.7° | 120.0° |
| O20 | C19 | C21 | H27 | 115.5° | 120.0° |
| O06 | C05 | C07 | C08 | 18.0° | 0.1° |
| O06 | C05 | C07 | C04 | 179.7° | 179.9° |
| O06 | C05 | C04 | C03 | 79.3° | 5.6° |
| O06 | C05 | C04 | H4 | 100.7° | 174.4° |
| O06 | C05 | C07 | H5 | 102.5° | 120.0° |
| O06 | C05 | C07 | H6 | 138.5° | 120.0° |
| O16 | C15 | C14 | C13 | 66.1° | 65.0° |
| O16 | C15 | C14 | C17 | 119.8° | 120.0° |
| O16 | C15 | C14 | H21 | 120.9° | 120.0° |
| O16 | C15 | C17 | H21 | 120.8° | 120.0° |
| O16 | C15 | C17 | C19 | 61.5° | 60.0° |
| O16 | C15 | C17 | C18 | 178.8° | 180.0° |
| O16 | C15 | C14 | H19 | 173.4° | 175.0° |
| O16 | C15 | C14 | H20 | 54.5° | 55.0° |
| O16 | C15 | C17 | H22 | 58.3° | 60.1° |
| O23 | C22 | C21 | H28 | 120.6° | 120.0° |
| O23 | C22 | C21 | C19 | 164.8° | 65.0° |
| O23 | C22 | C21 | H26 | 74.6° | 55.0° |
| O23 | C22 | C21 | H27 | 44.2° | 175.0° |
| O23 | C22 | C24 | H29 | 169.4° | 179.9° |
| C22 | C21 | C19 | H26 | 120.6° | 120.0° |
| C22 | C21 | C19 | H27 | 120.6° | 120.0° |
| C22 | C21 | C19 | C17 | 175.0° | 180.0° |
| C22 | C21 | H26 | H27 | 118.2° | 120.1° |
| C21 | C22 | C24 | H29 | 70.6° | 60.1° |
| C21 | C22 | O23 | H49 | 67.4° | 60.0° |
| C10 | C08 | C07 | H7 | 120.2° | 120.0° |
| C08 | C10 | C11 | H11 | 120.6° | 120.0° |
| C08 | C10 | C11 | H12 | 120.7° | 120.1° |
| C08 | C10 | C11 | C13 | 66.8° | 175.0° |
| C10 | C08 | C07 | C05 | 164.8° | 175.0° |
| C08 | C10 | C11 | C12 | 173.9° | 65.0° |
| C10 | C08 | C07 | H5 | 74.7° | 55.0° |
| C10 | C08 | C07 | H6 | 44.3° | 65.0° |
| C10 | C08 | C09 | H8 | 180.0° | 60.0° |
| C10 | C08 | C09 | H9 | 60.0° | 60.0° |
| C10 | C08 | C09 | H10 | 60.0° | 180.0° |
| C08 | C10 | H11 | H12 | 118.0° | 120.0° |
| C08 | C10 | C11 | H13 | 54.1° | 55.0° |
| C07 | C08 | C10 | C11 | 57.6° | 175.0° |
| C08 | C07 | C05 | H5 | 120.5° | 119.9° |
| C08 | C07 | C05 | H6 | 120.5° | 120.0° |
| C08 | C07 | C05 | C04 | 162.3° | 180.0° |
| C08 | C07 | H5 | H6 | 118.5° | 120.0° |
| C07 | C08 | C09 | H8 | 59.8° | 180.0° |
| C07 | C08 | C09 | H9 | 179.8° | 60.0° |
| C07 | C08 | C09 | H10 | 60.2° | 60.0° |
| C07 | C08 | C10 | H11 | 63.1° | 55.0° |
| C07 | C08 | C10 | H12 | 178.3° | 65.0° |
| C34 | C35 | O37 | O36 | 179.6° | 180.0° |
| C35 | C34 | C38 | C39 | 179.9° | 179.8° |
| C35 | C34 | C38 | C40 | 0.9° | 0.3° |
| C35 | C34 | C32 | H39 | 175.3° | 174.4° |
| C34 | C35 | O36 | H51 | 179.6° | 180.0° |
| C38 | C34 | C35 | O37 | 127.0° | 100.9° |
| C38 | C34 | C35 | O36 | 53.5° | 79.1° |
| C34 | C38 | C39 | C40 | 179.2° | 179.9° |
| C34 | C38 | C40 | O42 | 102.4° | 4.9° |
| C34 | C38 | C40 | O41 | 77.7° | 175.1° |
| C38 | C34 | C32 | H39 | 5.4° | 5.6° |
| C34 | C38 | C39 | H40 | 180.0° | 84.8° |
| C34 | C38 | C39 | H41 | 60.0° | 155.2° |
| C34 | C38 | C39 | H42 | 60.0° | 35.2° |
| C10 | C11 | C13 | C12 | 118.8° | 120.0° |
| C10 | C11 | C13 | H13 | 120.9° | 120.0° |
| C10 | C11 | C13 | C14 | 176.6° | 175.0° |
| C10 | C11 | C12 | H13 | 119.6° | 120.0° |
| C11 | C10 | C08 | H7 | 62.6° | 55.0° |
| C11 | C10 | H11 | H12 | 118.0° | 120.0° |
| C10 | C11 | C12 | H14 | 180.0° | 60.0° |
| C10 | C11 | C12 | H15 | 60.0° | 180.0° |
| C10 | C11 | C12 | H16 | 60.0° | 60.0° |
| C10 | C11 | C13 | H17 | 63.0° | 65.0° |
| C10 | C11 | C13 | H18 | 56.2° | 55.0° |
| O37 | C35 | O36 | H51 | 0.0° | 0.0° |
| C11 | C13 | C14 | H17 | 120.4° | 120.0° |
| C11 | C13 | C14 | H18 | 120.4° | 120.0° |
| C11 | C13 | C14 | C15 | 160.1° | 180.0° |
| C13 | C11 | C12 | H13 | 120.2° | 120.0° |
| C13 | C11 | C10 | H11 | 172.6° | 65.0° |
| C13 | C11 | C10 | H12 | 53.9° | 55.0° |
| C13 | C11 | C12 | H14 | 59.8° | 60.0° |
| C13 | C11 | C12 | H15 | 179.9° | 60.0° |
| C13 | C11 | C12 | H16 | 60.2° | 180.0° |
| C11 | C13 | H17 | H18 | 118.8° | 120.0° |
| C11 | C13 | C14 | H19 | 79.3° | 60.0° |
| C11 | C13 | C14 | H20 | 39.6° | 60.0° |
| C13 | C14 | C15 | H19 | 120.5° | 120.0° |
| C13 | C14 | C15 | H20 | 120.5° | 120.0° |
| C13 | C14 | C15 | C17 | 174.1° | 175.0° |
| C14 | C13 | C11 | C12 | 64.6° | 65.0° |
| C14 | C13 | C11 | H13 | 55.7° | 55.0° |
| C14 | C13 | H17 | H18 | 118.8° | 120.0° |
| C13 | C14 | H19 | H20 | 118.5° | 120.0° |
| C13 | C14 | C15 | H21 | 54.8° | 55.0° |
| C14 | C15 | C17 | H21 | 119.1° | 120.0° |
| C14 | C15 | C17 | C19 | 178.3° | 180.0° |
| C14 | C15 | C17 | C18 | 58.7° | 60.0° |
| C15 | C14 | C13 | H17 | 39.7° | 60.0° |
| C15 | C14 | C13 | H18 | 79.4° | 60.0° |
| C15 | C14 | H19 | H20 | 118.5° | 120.0° |
| C14 | C15 | C17 | H22 | 61.8° | 60.0° |
| C14 | C15 | O16 | H48 | 180.0° | 60.0° |
| C15 | C17 | C19 | C21 | 122.4° | 150.0° |
| C15 | C17 | C19 | C18 | 120.5° | 120.0° |
| C15 | C17 | C19 | H22 | 120.0° | 120.0° |
| C15 | C17 | C18 | H22 | 120.5° | 120.0° |
| C17 | C15 | C14 | H19 | 53.6° | 55.0° |
| C17 | C15 | C14 | H20 | 65.4° | 65.0° |
| C15 | C17 | C18 | H23 | 180.0° | 60.0° |
| C15 | C17 | C18 | H24 | 60.0° | 180.0° |
| C15 | C17 | C18 | H25 | 60.0° | 60.0° |
| C17 | C15 | O16 | H48 | 59.1° | 60.0° |
| C21 | C19 | C17 | C18 | 117.1° | 90.1° |
| C21 | C19 | C17 | H22 | 2.4° | 30.0° |
| C19 | C21 | H26 | H27 | 118.2° | 120.0° |
| C19 | C21 | C22 | H28 | 44.2° | 55.0° |
| C19 | C17 | C18 | H22 | 119.4° | 120.0° |
| C19 | C17 | C15 | H21 | 59.2° | 60.0° |
| C19 | C17 | C18 | H23 | 59.9° | 180.0° |
| C19 | C17 | C18 | H24 | 60.0° | 60.0° |
| C19 | C17 | C18 | H25 | 179.9° | 60.0° |
| C17 | C19 | C21 | H26 | 54.4° | 60.0° |
| C17 | C19 | C21 | H27 | 64.4° | 60.0° |
| C39 | C38 | C40 | O42 | 76.8° | 175.2° |
| C39 | C38 | C40 | O41 | 103.1° | 4.9° |
| C38 | C39 | H40 | H41 | 120.0° | 120.0° |
| C38 | C39 | H40 | H42 | 120.0° | 119.9° |
| C38 | C39 | H41 | H42 | 120.0° | 119.9° |
| C07 | C05 | C04 | C03 | 100.4° | 174.4° |
| C07 | C05 | C04 | H4 | 79.6° | 5.6° |
| C05 | C07 | H5 | H6 | 118.5° | 120.0° |
| C05 | C07 | C08 | H7 | 44.5° | 55.0° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C05 | C04 | C03 | C43 | 0.5° | 6.9° |
| C05 | C04 | C03 | C02 | 178.8° | 173.1° |
| C04 | C05 | C07 | H5 | 77.2° | 60.0° |
| C04 | C05 | C07 | H6 | 41.8° | 60.0° |
| C38 | C40 | O42 | O41 | 179.9° | 180.0° |
| C40 | C38 | C39 | H40 | 0.8° | 95.2° |
| C40 | C38 | C39 | H41 | 119.2° | 24.9° |
| C40 | C38 | C39 | H42 | 120.8° | 144.9° |
| C38 | C40 | O41 | H52 | 180.0° | 180.0° |
| C12 | C11 | C10 | H11 | 53.3° | 55.0° |
| C12 | C11 | C10 | H12 | 65.4° | 174.9° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C12 | C11 | C13 | H17 | 55.8° | 55.0° |
| C12 | C11 | C13 | H18 | 175.0° | 175.0° |
| C18 | C17 | C15 | H21 | 60.4° | 60.0° |
| C17 | C18 | H23 | H24 | 120.0° | 119.9° |
| C17 | C18 | H23 | H25 | 120.0° | 120.0° |
| C17 | C18 | H24 | H25 | 120.0° | 120.0° |
| C04 | C03 | C43 | C02 | 179.3° | 180.0° |
| C04 | C03 | C43 | C44 | 85.2° | 90.9° |
| C04 | C03 | C02 | C01 | 72.8° | 180.0° |
| C04 | C03 | C02 | H3 | 107.2° | 0.0° |
| C04 | C03 | C43 | H43 | 154.2° | 149.1° |
| C04 | C03 | C43 | H44 | 35.4° | 29.0° |
| C03 | C43 | C44 | H43 | 120.7° | 120.1° |
| C03 | C43 | C44 | H44 | 120.7° | 119.9° |
| C43 | C03 | C02 | C01 | 106.5° | 0.1° |
| C43 | C03 | C02 | H3 | 73.5° | 180.0° |
| C43 | C03 | C04 | H4 | 179.4° | 173.1° |
| C03 | C43 | H43 | H44 | 118.0° | 120.0° |
| C03 | C43 | C44 | H45 | 180.0° | 60.0° |
| C03 | C43 | C44 | H46 | 60.0° | 180.0° |
| C03 | C43 | C44 | H47 | 60.0° | 59.9° |
| C44 | C43 | C03 | C02 | 95.5° | 89.1° |
| C44 | C43 | H43 | H44 | 117.9° | 119.9° |
| C43 | C44 | H45 | H46 | 120.0° | 120.0° |
| C43 | C44 | H45 | H47 | 120.0° | 120.0° |
| C43 | C44 | H46 | H47 | 120.0° | 120.0° |
| O42 | C40 | O41 | H52 | 0.0° | 0.1° |
| C03 | C02 | C01 | H3 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 0.0° | 0.1° |
| C03 | C02 | C01 | H2 | 180.0° | 179.8° |
| C02 | C03 | C04 | H4 | 1.3° | 6.9° |
| C02 | C03 | C43 | H43 | 25.1° | 30.9° |
| C02 | C03 | C43 | H44 | 143.8° | 151.0° |
| C02 | C01 | H1 | H2 | 180.0° | 179.9° |
| H1 | C01 | C02 | H3 | 180.0° | 179.9° |
| H2 | C01 | C02 | H3 | 0.0° | 0.2° |
| H5 | C07 | C08 | H7 | 165.0° | 65.0° |
| H6 | C07 | C08 | H7 | 76.0° | 175.0° |
| H7 | C08 | C09 | H8 | 60.9° | 60.0° |
| H7 | C08 | C09 | H9 | 59.0° | 180.0° |
| H7 | C08 | C09 | H10 | 179.0° | 60.0° |
| H7 | C08 | C10 | H11 | 176.7° | 65.0° |
| H7 | C08 | C10 | H12 | 58.0° | 175.0° |
| H8 | C09 | H9 | H10 | 120.0° | 119.9° |
| H11 | C10 | C11 | H13 | 66.5° | 175.0° |
| H12 | C10 | C11 | H13 | 174.8° | 65.0° |
| H13 | C11 | C12 | H14 | 60.4° | 180.0° |
| H13 | C11 | C12 | H15 | 59.7° | 60.0° |
| H13 | C11 | C12 | H16 | 179.6° | 60.0° |
| H13 | C11 | C13 | H17 | 176.1° | 175.0° |
| H13 | C11 | C13 | H18 | 64.7° | 65.0° |
| H14 | C12 | H15 | H16 | 120.0° | 119.9° |
| H17 | C13 | C14 | H19 | 160.3° | 179.9° |
| H17 | C13 | C14 | H20 | 80.8° | 60.0° |
| H18 | C13 | C14 | H19 | 41.1° | 60.0° |
| H18 | C13 | C14 | H20 | 160.0° | 179.9° |
| H19 | C14 | C15 | H21 | 65.6° | 65.0° |
| H20 | C14 | C15 | H21 | 175.4° | 175.0° |
| H21 | C15 | C17 | H22 | 179.1° | 180.0° |
| H21 | C15 | O16 | H48 | 60.4° | 180.0° |
| H22 | C17 | C18 | H23 | 59.5° | 60.0° |
| H22 | C17 | C18 | H24 | 179.5° | 60.0° |
| H22 | C17 | C18 | H25 | 60.5° | NaN° |
| H23 | C18 | H24 | H25 | 120.0° | 120.0° |
| H26 | C21 | C22 | H28 | 164.8° | 175.0° |
| H27 | C21 | C22 | H28 | 76.4° | 65.0° |
| H28 | C22 | C24 | H29 | 48.5° | 59.9° |
| H28 | C22 | O23 | H49 | 51.9° | 180.0° |
| H29 | C24 | C25 | H30 | 60.2° | 180.0° |
| H29 | C24 | C25 | H31 | 59.8° | 60.0° |
| H29 | C24 | C25 | H32 | 179.8° | 59.9° |
| H29 | C24 | C26 | H33 | 166.9° | 60.0° |
| H30 | C25 | H31 | H32 | 120.0° | 120.1° |
| H33 | C26 | C27 | H34 | 59.2° | 60.0° |
| H33 | C26 | C27 | H35 | 179.2° | 60.0° |
| H33 | C26 | C27 | H36 | 60.8° | 180.0° |
| H34 | C27 | H35 | H36 | 120.0° | 120.0° |
| H37 | C31 | C32 | H39 | 79.1° | 175.0° |
| H38 | C31 | C32 | H39 | 161.5° | 64.9° |
| H39 | C32 | O33 | H50 | 152.8° | 180.0° |
| H40 | C39 | H41 | H42 | 120.0° | 120.1° |
| H43 | C43 | C44 | H45 | 59.3° | 60.0° |
| H43 | C43 | C44 | H46 | 179.3° | 60.0° |
| H43 | C43 | C44 | H47 | 60.7° | 180.0° |
| H44 | C43 | C44 | H45 | 59.4° | 180.0° |
| H44 | C43 | C44 | H46 | 60.6° | 60.0° |
| H44 | C43 | C44 | H47 | 179.3° | 60.0° |
| H45 | C44 | H46 | H47 | 120.0° | 120.0° |
