IFU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | O16 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C8 | C2 | sing | 1.53Å | 1.56Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | C21 | sing | 1.52Å | 1.54Å | |
| C2 | C3 | sing | 1.51Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C31 | C24 | sing | 1.51Å | 1.51Å | |
| C31 | C29 | sing | 1.53Å | 1.52Å | |
| O27 | C26 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.52Å | 1.53Å | |
| C24 | C23 | doub | 1.33Å | 1.34Å | |
| C28 | C26 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.47Å | 1.44Å | |
| C22 | C18 | doub | 1.33Å | 1.33Å | |
| C3 | C18 | sing | 1.50Å | 1.52Å | |
| C3 | C4 | sing | 1.47Å | 1.53Å | |
| C18 | C19 | sing | 1.52Å | 1.51Å | |
| C29 | O30 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.48Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| O16 | H46 | sing | 0.97Å | 0.95Å | |
| O27 | H47 | sing | 0.97Å | 0.95Å | |
| O30 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C14 | C15 | 111.3° | 109.5° |
| C17 | C14 | C13 | 110.6° | 109.5° |
| C17 | C14 | O16 | 107.4° | 109.5° |
| C14 | C17 | H18 | 109.5° | 109.5° |
| C14 | C17 | H19 | 109.5° | 109.5° |
| C14 | C17 | H20 | 109.4° | 109.5° |
| C15 | C14 | C13 | 111.1° | 109.5° |
| C15 | C14 | O16 | 107.4° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.4° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.4° | 109.4° |
| C14 | C13 | C12 | 116.5° | 109.5° |
| C13 | C14 | O16 | 108.9° | 109.5° |
| C14 | C13 | H13 | 107.7° | 109.5° |
| C14 | C13 | H14 | 107.7° | 109.5° |
| C13 | C12 | C11 | 111.9° | 109.5° |
| C12 | C13 | H13 | 107.7° | 109.4° |
| C12 | C13 | H14 | 107.7° | 109.4° |
| C13 | C12 | H34 | 108.9° | 109.4° |
| C13 | C12 | H35 | 108.9° | 109.5° |
| C14 | O16 | H46 | 109.5° | 114.0° |
| C12 | C11 | C9 | 115.4° | 109.5° |
| C12 | C11 | H32 | 108.0° | 109.5° |
| C12 | C11 | H33 | 108.0° | 109.5° |
| C11 | C12 | H34 | 108.9° | 109.5° |
| C11 | C12 | H35 | 108.8° | 109.6° |
| C11 | C9 | C10 | 110.6° | 109.5° |
| C11 | C9 | C8 | 109.7° | 109.5° |
| C9 | C11 | H32 | 108.0° | 109.4° |
| C9 | C11 | H33 | 108.0° | 109.4° |
| C11 | C9 | H45 | 107.5° | 109.5° |
| C10 | C9 | C8 | 113.7° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.4° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.4° | 109.5° |
| C10 | C9 | H45 | 107.6° | 109.5° |
| C9 | C8 | C2 | 118.9° | 109.5° |
| C9 | C8 | C7 | 113.6° | 109.0° |
| C9 | C8 | H9 | 100.2° | 109.4° |
| C8 | C9 | H45 | 107.5° | 109.4° |
| C1 | C2 | C8 | 109.3° | 107.0° |
| C1 | C2 | C21 | 107.6° | 106.8° |
| C1 | C2 | C3 | 109.3° | 106.4° |
| C2 | C1 | H29 | 109.5° | 109.5° |
| C2 | C1 | H30 | 109.5° | 109.5° |
| C2 | C1 | H31 | 109.5° | 109.5° |
| C2 | C8 | C7 | 118.4° | 109.6° |
| C8 | C2 | C21 | 106.2° | 111.8° |
| C8 | C2 | C3 | 118.0° | 114.0° |
| C2 | C8 | H9 | 100.0° | 109.5° |
| C8 | C7 | C6 | 117.7° | 109.9° |
| C8 | C7 | H7 | 107.4° | 109.4° |
| C8 | C7 | H8 | 107.4° | 109.3° |
| C7 | C8 | H9 | 100.2° | 109.9° |
| C21 | C2 | C3 | 106.1° | 110.3° |
| C2 | C21 | C20 | 113.0° | 109.0° |
| C2 | C21 | H23 | 108.6° | 109.5° |
| C2 | C21 | H24 | 108.6° | 109.6° |
| C2 | C3 | C18 | 110.7° | 110.5° |
| C2 | C3 | C4 | 116.2° | 120.9° |
| C2 | C3 | H42 | 104.8° | 101.8° |
| C21 | C20 | C19 | 112.0° | 110.4° |
| C21 | C20 | H21 | 108.8° | 109.3° |
| C21 | C20 | H22 | 108.8° | 109.2° |
| C20 | C21 | H23 | 108.6° | 109.5° |
| C20 | C21 | H24 | 108.6° | 109.6° |
| C20 | C19 | C18 | 112.1° | 109.0° |
| C19 | C20 | H21 | 108.8° | 109.3° |
| C19 | C20 | H22 | 108.8° | 109.3° |
| C20 | C19 | H36 | 108.8° | 109.6° |
| C20 | C19 | H37 | 108.8° | 109.6° |
| C24 | C25 | C26 | 112.6° | 108.6° |
| C25 | C24 | C31 | 113.8° | 118.4° |
| C25 | C24 | C23 | 123.1° | 120.8° |
| C24 | C25 | H39 | 108.7° | 109.6° |
| C24 | C25 | H40 | 108.7° | 109.7° |
| C25 | C26 | O27 | 110.1° | 109.6° |
| C25 | C26 | C28 | 110.4° | 109.5° |
| C25 | C26 | H26 | 108.5° | 109.5° |
| C26 | C25 | H39 | 108.7° | 109.5° |
| C26 | C25 | H40 | 108.7° | 109.6° |
| C24 | C31 | C29 | 112.2° | 108.5° |
| C31 | C24 | C23 | 122.7° | 120.8° |
| C24 | C31 | H43 | 108.8° | 109.7° |
| C24 | C31 | H44 | 108.8° | 109.6° |
| C31 | C29 | C28 | 109.3° | 109.4° |
| C31 | C29 | O30 | 108.3° | 109.2° |
| C31 | C29 | H41 | 109.7° | 109.7° |
| C29 | C31 | H43 | 108.8° | 109.6° |
| C29 | C31 | H44 | 108.8° | 109.6° |
| O27 | C26 | C28 | 109.5° | 109.5° |
| O27 | C26 | H26 | 109.7° | 109.3° |
| C26 | O27 | H47 | 109.5° | 114.0° |
| C7 | C6 | C5 | 116.6° | 115.0° |
| C7 | C6 | H5 | 107.7° | 108.4° |
| C7 | C6 | H6 | 107.7° | 108.3° |
| C6 | C7 | H7 | 107.4° | 109.4° |
| C6 | C7 | H8 | 107.4° | 109.4° |
| C24 | C23 | C22 | 125.7° | 120.0° |
| C24 | C23 | H38 | 117.2° | 120.0° |
| C26 | C28 | C29 | 109.8° | 109.7° |
| C28 | C26 | H26 | 108.5° | 109.5° |
| C26 | C28 | H27 | 109.4° | 109.4° |
| C26 | C28 | H28 | 109.4° | 109.4° |
| C28 | C29 | O30 | 108.8° | 109.5° |
| C29 | C28 | H27 | 109.4° | 109.7° |
| C29 | C28 | H28 | 109.4° | 109.3° |
| C28 | C29 | H41 | 109.8° | 109.5° |
| C23 | C22 | C18 | 127.0° | 120.0° |
| C23 | C22 | H25 | 116.5° | 120.0° |
| C22 | C23 | H38 | 117.1° | 120.0° |
| C22 | C18 | C3 | 123.4° | 121.5° |
| C22 | C18 | C19 | 125.9° | 121.6° |
| C18 | C22 | H25 | 116.5° | 120.0° |
| C18 | C3 | C4 | 113.8° | 116.6° |
| C3 | C18 | C19 | 110.7° | 116.9° |
| C18 | C3 | H42 | 105.1° | 101.3° |
| C3 | C4 | C5 | 115.8° | 111.3° |
| C3 | C4 | H1 | 107.9° | 109.1° |
| C3 | C4 | H2 | 107.9° | 109.0° |
| C4 | C3 | H42 | 105.0° | 101.7° |
| C18 | C19 | H36 | 108.8° | 109.5° |
| C18 | C19 | H37 | 108.8° | 109.5° |
| O30 | C29 | H41 | 110.9° | 109.5° |
| C29 | O30 | H48 | 109.5° | 114.0° |
| C4 | C5 | C6 | 115.7° | 109.1° |
| C5 | C4 | H1 | 107.8° | 109.1° |
| C5 | C4 | H2 | 107.9° | 109.2° |
| C4 | C5 | H3 | 107.9° | 109.5° |
| C4 | C5 | H4 | 107.9° | 109.6° |
| C6 | C5 | H3 | 107.9° | 109.5° |
| C6 | C5 | H4 | 107.9° | 109.5° |
| C5 | C6 | H5 | 107.6° | 108.4° |
| C5 | C6 | H6 | 107.6° | 108.4° |
| H1 | C4 | H2 | 109.5° | 109.1° |
| H3 | C5 | H4 | 109.5° | 109.6° |
| H5 | C6 | H6 | 109.5° | 108.3° |
| H7 | C7 | H8 | 109.5° | 109.3° |
| H10 | C10 | H11 | 109.4° | 109.6° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H18 | C17 | H20 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.4° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.3° |
| H23 | C21 | H24 | 109.4° | 109.6° |
| H27 | C28 | H28 | 109.5° | 109.3° |
| H29 | C1 | H30 | 109.4° | 109.5° |
| H29 | C1 | H31 | 109.5° | 109.5° |
| H30 | C1 | H31 | 109.5° | 109.4° |
| H32 | C11 | H33 | 109.4° | 109.5° |
| H34 | C12 | H35 | 109.5° | 109.4° |
| H36 | C19 | H37 | 109.5° | 109.6° |
| H39 | C25 | H40 | 109.5° | 109.7° |
| H43 | C31 | H44 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C14 | C15 | C13 | 123.7° | 120.0° |
| C17 | C14 | C15 | O16 | 117.3° | 120.0° |
| C17 | C14 | C13 | O16 | 117.8° | 120.0° |
| C17 | C14 | C13 | C12 | 101.8° | 55.0° |
| C17 | C14 | C13 | H13 | 137.2° | 175.0° |
| C17 | C14 | C13 | H14 | 19.2° | 65.0° |
| C17 | C14 | C15 | H15 | 180.0° | 60.0° |
| C17 | C14 | C15 | H16 | 60.0° | 60.0° |
| C17 | C14 | C15 | H17 | 60.0° | 180.0° |
| C14 | C17 | H18 | H19 | 120.0° | 120.0° |
| C14 | C17 | H18 | H20 | 120.0° | 120.0° |
| C14 | C17 | H19 | H20 | 120.0° | 120.0° |
| C17 | C14 | O16 | H46 | 180.0° | 60.0° |
| C15 | C14 | C13 | O16 | 118.1° | 120.0° |
| C15 | C14 | C13 | C12 | 134.2° | 175.0° |
| C15 | C14 | C13 | H13 | 13.1° | 65.0° |
| C15 | C14 | C13 | H14 | 104.8° | 55.0° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| C15 | C14 | C17 | H18 | 180.0° | 180.0° |
| C15 | C14 | C17 | H19 | 60.0° | 60.0° |
| C15 | C14 | C17 | H20 | 60.0° | 60.0° |
| C15 | C14 | O16 | H46 | 60.2° | 60.0° |
| C14 | C13 | C12 | H13 | 121.0° | 120.0° |
| C14 | C13 | C12 | H14 | 121.0° | 120.0° |
| C14 | C13 | C12 | C11 | 90.7° | NaN° |
| C14 | C13 | H13 | H14 | 116.8° | 120.1° |
| C13 | C14 | C15 | H15 | 56.3° | 60.0° |
| C13 | C14 | C15 | H16 | 176.3° | 180.0° |
| C13 | C14 | C15 | H17 | 63.7° | 60.0° |
| C13 | C14 | C17 | H18 | 56.1° | 60.0° |
| C13 | C14 | C17 | H19 | 63.9° | 180.0° |
| C13 | C14 | C17 | H20 | 176.1° | 60.0° |
| C14 | C13 | C12 | H34 | 148.9° | 60.0° |
| C14 | C13 | C12 | H35 | 29.6° | 59.9° |
| C13 | C14 | O16 | H46 | 60.2° | 179.9° |
| C12 | C13 | C14 | O16 | 16.0° | 65.0° |
| C13 | C12 | C11 | H34 | 120.4° | 119.9° |
| C13 | C12 | C11 | H35 | 120.4° | 120.0° |
| C13 | C12 | C11 | C9 | 163.1° | 180.0° |
| C12 | C13 | H13 | H14 | 116.8° | 119.9° |
| C13 | C12 | C11 | H32 | 76.0° | 60.1° |
| C13 | C12 | C11 | H33 | 42.2° | 60.0° |
| C13 | C12 | H34 | H35 | 118.9° | 119.9° |
| O16 | C14 | C13 | H13 | 105.0° | 55.0° |
| O16 | C14 | C13 | H14 | 137.0° | 175.0° |
| O16 | C14 | C15 | H15 | 62.7° | 180.0° |
| O16 | C14 | C15 | H16 | 57.3° | 60.0° |
| O16 | C14 | C15 | H17 | 177.3° | 60.0° |
| O16 | C14 | C17 | H18 | 62.7° | 60.0° |
| O16 | C14 | C17 | H19 | 177.3° | 60.0° |
| O16 | C14 | C17 | H20 | 57.4° | 180.0° |
| C12 | C11 | C9 | H32 | 120.9° | 120.0° |
| C12 | C11 | C9 | H33 | 120.9° | 120.0° |
| C12 | C11 | C9 | C10 | 52.4° | 46.6° |
| C12 | C11 | C9 | C8 | 178.5° | 166.6° |
| C11 | C12 | C13 | H13 | 30.3° | 60.0° |
| C11 | C12 | C13 | H14 | 148.2° | 60.0° |
| C12 | C11 | H32 | H33 | 117.3° | 120.1° |
| C11 | C12 | H34 | H35 | 118.9° | 120.1° |
| C12 | C11 | C9 | H45 | 64.9° | 73.4° |
| C11 | C9 | C10 | C8 | 123.9° | 120.0° |
| C11 | C9 | C10 | H45 | 117.2° | 120.0° |
| C11 | C9 | C8 | H45 | 116.6° | 120.0° |
| C11 | C9 | C8 | C2 | 118.9° | 64.8° |
| C11 | C9 | C8 | C7 | 94.6° | 175.4° |
| C11 | C9 | C8 | H9 | 11.4° | 55.2° |
| C11 | C9 | C10 | H10 | 180.0° | 53.5° |
| C11 | C9 | C10 | H11 | 60.0° | 66.6° |
| C11 | C9 | C10 | H12 | 60.0° | 173.4° |
| C9 | C11 | H32 | H33 | 117.3° | 119.9° |
| C9 | C11 | C12 | H34 | 42.8° | 60.0° |
| C9 | C11 | C12 | H35 | 76.5° | 60.0° |
| C10 | C9 | C8 | H45 | 119.0° | 120.0° |
| C10 | C9 | C8 | C2 | 116.7° | 175.2° |
| C10 | C9 | C8 | C7 | 29.8° | 55.4° |
| C10 | C9 | C8 | H9 | 135.8° | 64.8° |
| C9 | C10 | H10 | H11 | 120.0° | 120.0° |
| C9 | C10 | H10 | H12 | 120.0° | 119.9° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| C10 | C9 | C11 | H32 | 68.5° | 73.4° |
| C10 | C9 | C11 | H33 | 173.3° | 166.6° |
| C9 | C8 | C2 | C1 | 55.0° | 81.1° |
| C9 | C8 | C2 | C7 | 144.9° | 119.4° |
| C9 | C8 | C2 | H9 | 107.6° | 119.9° |
| C9 | C8 | C7 | H9 | 105.9° | 119.9° |
| C9 | C8 | C2 | C21 | 60.8° | 35.6° |
| C9 | C8 | C2 | C3 | 179.5° | 161.6° |
| C9 | C8 | C7 | C6 | 163.8° | 148.3° |
| C9 | C8 | C7 | H7 | 75.0° | 28.1° |
| C9 | C8 | C7 | H8 | 42.7° | 91.6° |
| C8 | C9 | C10 | H10 | 56.1° | 173.5° |
| C8 | C9 | C10 | H11 | 176.1° | 53.4° |
| C8 | C9 | C10 | H12 | 63.9° | 66.5° |
| C8 | C9 | C11 | H32 | 57.6° | 46.6° |
| C8 | C9 | C11 | H33 | 60.6° | 73.3° |
| C1 | C2 | C8 | C21 | 115.8° | 116.6° |
| C1 | C2 | C8 | C3 | 125.5° | 117.4° |
| C1 | C2 | C8 | C7 | 160.1° | 159.5° |
| C1 | C2 | C21 | C3 | 116.8° | 115.3° |
| C1 | C2 | C21 | C20 | 59.1° | 53.3° |
| C1 | C2 | C3 | C18 | 53.7° | 60.8° |
| C1 | C2 | C3 | C4 | 78.1° | 80.6° |
| C1 | C2 | C8 | H9 | 52.6° | 38.9° |
| C1 | C2 | C21 | H23 | 61.4° | 173.1° |
| C1 | C2 | C21 | H24 | 179.6° | 66.6° |
| C2 | C1 | H29 | H30 | 120.0° | 120.1° |
| C2 | C1 | H29 | H31 | 120.0° | 120.0° |
| C2 | C1 | H30 | H31 | 120.0° | 120.0° |
| C1 | C2 | C3 | H42 | 166.6° | 167.8° |
| C2 | C8 | C7 | H9 | 107.3° | 120.4° |
| C8 | C2 | C21 | C3 | 126.3° | 128.0° |
| C8 | C2 | C21 | C20 | 176.0° | 170.1° |
| C2 | C8 | C7 | C6 | 49.5° | 92.0° |
| C8 | C2 | C3 | C18 | 179.2° | 178.5° |
| C8 | C2 | C3 | C4 | 47.4° | 37.1° |
| C2 | C8 | C7 | H7 | 71.7° | 147.8° |
| C2 | C8 | C7 | H8 | 170.6° | 28.1° |
| C8 | C2 | C21 | H23 | 55.5° | 70.1° |
| C8 | C2 | C21 | H24 | 63.5° | 50.1° |
| C8 | C2 | C1 | H29 | 180.0° | 80.6° |
| C8 | C2 | C1 | H30 | 60.0° | 159.4° |
| C8 | C2 | C1 | H31 | 60.0° | 39.4° |
| C8 | C2 | C3 | H42 | 67.9° | 74.5° |
| C2 | C8 | C9 | H45 | 2.3° | 55.1° |
| C7 | C8 | C2 | C21 | 84.1° | 83.9° |
| C7 | C8 | C2 | C3 | 34.6° | 42.1° |
| C8 | C7 | C6 | H7 | 121.2° | 120.2° |
| C8 | C7 | C6 | H8 | 121.2° | 120.1° |
| C8 | C7 | C6 | C5 | 26.5° | 85.3° |
| C8 | C7 | C6 | H5 | 94.5° | 36.1° |
| C8 | C7 | C6 | H6 | 147.6° | 153.4° |
| C8 | C7 | H7 | H8 | 116.3° | 119.7° |
| C7 | C8 | C9 | H45 | 148.8° | 64.6° |
| C2 | C21 | C20 | H23 | 120.5° | 119.8° |
| C2 | C21 | C20 | H24 | 120.5° | 119.9° |
| C2 | C21 | C20 | C19 | 52.9° | 62.1° |
| C21 | C2 | C3 | C18 | 62.0° | 54.8° |
| C21 | C2 | C3 | C4 | 166.2° | 163.8° |
| C21 | C2 | C8 | H9 | 168.4° | 155.5° |
| C2 | C21 | C20 | H21 | 67.5° | 58.2° |
| C2 | C21 | C20 | H22 | 173.3° | 177.7° |
| C2 | C21 | H23 | H24 | 118.4° | 120.3° |
| C21 | C2 | C1 | H29 | 65.1° | 39.3° |
| C21 | C2 | C1 | H30 | 174.9° | 80.8° |
| C21 | C2 | C1 | H31 | 54.9° | 159.3° |
| C21 | C2 | C3 | H42 | 50.9° | 52.3° |
| C3 | C2 | C21 | C20 | 57.7° | 62.0° |
| C2 | C3 | C18 | C22 | 115.5° | 129.8° |
| C2 | C3 | C18 | C4 | 133.0° | 143.2° |
| C2 | C3 | C18 | H42 | 112.6° | 107.4° |
| C2 | C3 | C4 | H42 | 115.2° | 111.6° |
| C2 | C3 | C18 | C19 | 61.9° | 50.3° |
| C2 | C3 | C4 | C5 | 61.9° | 88.2° |
| C2 | C3 | C4 | H1 | 59.0° | 151.3° |
| C2 | C3 | C4 | H2 | 177.2° | 32.3° |
| C3 | C2 | C8 | H9 | 72.9° | 78.5° |
| C3 | C2 | C21 | H23 | 178.3° | 57.9° |
| C3 | C2 | C21 | H24 | 62.8° | 178.1° |
| C3 | C2 | C1 | H29 | 49.6° | 157.2° |
| C3 | C2 | C1 | H30 | 70.4° | 37.1° |
| C3 | C2 | C1 | H31 | 169.6° | 82.8° |
| C21 | C20 | C19 | H21 | 120.4° | 120.3° |
| C21 | C20 | C19 | H22 | 120.4° | 120.1° |
| C21 | C20 | C19 | C18 | 49.5° | 54.2° |
| C21 | C20 | H21 | H22 | 118.8° | 119.4° |
| C20 | C21 | H23 | H24 | 118.4° | 120.2° |
| C21 | C20 | C19 | H36 | 169.9° | 174.1° |
| C21 | C20 | C19 | H37 | 70.9° | 65.6° |
| C20 | C19 | C18 | C22 | 123.2° | 130.4° |
| C20 | C19 | C18 | C3 | 54.1° | 49.7° |
| C20 | C19 | C18 | H36 | 120.4° | 119.9° |
| C20 | C19 | C18 | H37 | 120.4° | 119.9° |
| C19 | C20 | H21 | H22 | 118.8° | 119.6° |
| C19 | C20 | C21 | H23 | 173.4° | 57.7° |
| C19 | C20 | C21 | H24 | 67.7° | 178.0° |
| C20 | C19 | H36 | H37 | 118.8° | 120.3° |
| C24 | C25 | C26 | H39 | 120.4° | 119.7° |
| C24 | C25 | C26 | H40 | 120.5° | 119.8° |
| C25 | C24 | C31 | C23 | 173.2° | 179.6° |
| C25 | C24 | C31 | C29 | 49.1° | 51.0° |
| C24 | C25 | C26 | O27 | 173.6° | 65.5° |
| C24 | C25 | C26 | C28 | 52.5° | 54.5° |
| C25 | C24 | C23 | C22 | 3.5° | 173.8° |
| C24 | C25 | C26 | H26 | 66.3° | 174.6° |
| C25 | C24 | C23 | H38 | 176.5° | 6.3° |
| C24 | C25 | H39 | H40 | 118.6° | 120.6° |
| C25 | C24 | C31 | H43 | 71.3° | 170.8° |
| C25 | C24 | C31 | H44 | 169.5° | 68.7° |
| C26 | C25 | C24 | C31 | 47.2° | 51.0° |
| C25 | C26 | O27 | C28 | 121.6° | 120.1° |
| C25 | C26 | O27 | H26 | 119.3° | 120.0° |
| C26 | C25 | C24 | C23 | 139.7° | 128.7° |
| C25 | C26 | C28 | H26 | 118.8° | 120.0° |
| C25 | C26 | C28 | C29 | 60.4° | 63.8° |
| C25 | C26 | C28 | H27 | 179.5° | 56.6° |
| C25 | C26 | C28 | H28 | 59.6° | 176.3° |
| C26 | C25 | H39 | H40 | 118.6° | 120.4° |
| C25 | C26 | O27 | H47 | 180.0° | 60.0° |
| C24 | C31 | C29 | H43 | 120.4° | 119.7° |
| C24 | C31 | C29 | H44 | 120.4° | 119.6° |
| C24 | C31 | C29 | C28 | 56.0° | 54.7° |
| C31 | C24 | C23 | C22 | 169.1° | 5.8° |
| C24 | C31 | C29 | O30 | 62.3° | 174.5° |
| C31 | C24 | C23 | H38 | 10.9° | 174.1° |
| C31 | C24 | C25 | H39 | 167.7° | 68.7° |
| C31 | C24 | C25 | H40 | 73.3° | 170.8° |
| C24 | C31 | C29 | H41 | 176.5° | 65.4° |
| C24 | C31 | H43 | H44 | 118.8° | 120.4° |
| C29 | C31 | C24 | C23 | 137.7° | 128.6° |
| C31 | C29 | C28 | C26 | 62.0° | 63.9° |
| C31 | C29 | C28 | O30 | 118.1° | 119.6° |
| C31 | C29 | C28 | H41 | 120.4° | 120.3° |
| C31 | C29 | O30 | H41 | 120.4° | 120.2° |
| C31 | C29 | C28 | H27 | 178.0° | 56.3° |
| C31 | C29 | C28 | H28 | 58.1° | 176.2° |
| C29 | C31 | H43 | H44 | 118.7° | 120.5° |
| C31 | C29 | O30 | H48 | 180.0° | 60.2° |
| O27 | C26 | C28 | H26 | 119.8° | 119.8° |
| O27 | C26 | C28 | C29 | 178.2° | 56.4° |
| O27 | C26 | C28 | H27 | 58.1° | 176.8° |
| O27 | C26 | C28 | H28 | 61.8° | 63.5° |
| O27 | C26 | C25 | H39 | 66.0° | 174.8° |
| O27 | C26 | C25 | H40 | 53.1° | 54.3° |
| C7 | C6 | C5 | C4 | 77.2° | 63.2° |
| C7 | C6 | C5 | H5 | 121.0° | 121.4° |
| C7 | C6 | C5 | H6 | 121.0° | 121.3° |
| C7 | C6 | C5 | H3 | 43.7° | 176.9° |
| C7 | C6 | C5 | H4 | 161.9° | 56.7° |
| C7 | C6 | H5 | H6 | 116.8° | 117.2° |
| C6 | C7 | H7 | H8 | 116.3° | 119.8° |
| C6 | C7 | C8 | H9 | 57.9° | 28.4° |
| C24 | C23 | C22 | H38 | 180.0° | 179.9° |
| C24 | C23 | C22 | C18 | 170.9° | 179.3° |
| C24 | C23 | C22 | H25 | 9.1° | 0.6° |
| C23 | C24 | C25 | H39 | 19.2° | 111.7° |
| C23 | C24 | C25 | H40 | 99.9° | 8.9° |
| C23 | C24 | C31 | H43 | 101.9° | 8.9° |
| C23 | C24 | C31 | H44 | 17.3° | 111.7° |
| C26 | C28 | C29 | H27 | 120.1° | 120.2° |
| C26 | C28 | C29 | H28 | 120.1° | 120.0° |
| C26 | C28 | C29 | O30 | 56.1° | 176.5° |
| C26 | C28 | H27 | H28 | 119.9° | 119.8° |
| C28 | C26 | C25 | H39 | 173.0° | 65.2° |
| C28 | C26 | C25 | H40 | 68.0° | 174.4° |
| C26 | C28 | C29 | H41 | 177.6° | 56.4° |
| C28 | C26 | O27 | H47 | 58.4° | 179.9° |
| C28 | C29 | O30 | H41 | 120.9° | 120.0° |
| C29 | C28 | C26 | H26 | 58.3° | 176.2° |
| C29 | C28 | H27 | H28 | 119.9° | 119.9° |
| C28 | C29 | C31 | H43 | 64.3° | 174.5° |
| C28 | C29 | C31 | H44 | 176.5° | 64.9° |
| C28 | C29 | O30 | H48 | 61.3° | 180.0° |
| C23 | C22 | C18 | H25 | 180.0° | 180.0° |
| C23 | C22 | C18 | C3 | 177.5° | 178.9° |
| C23 | C22 | C18 | C19 | 0.6° | 1.2° |
| C22 | C18 | C3 | C19 | 177.4° | 179.9° |
| C22 | C18 | C3 | C4 | 17.6° | 13.4° |
| C22 | C18 | C19 | H36 | 2.8° | 10.5° |
| C22 | C18 | C19 | H37 | 116.5° | 109.8° |
| C18 | C22 | C23 | H38 | 9.1° | 0.6° |
| C22 | C18 | C3 | H42 | 131.9° | 122.9° |
| C18 | C3 | C4 | H42 | 114.4° | 109.2° |
| C18 | C3 | C4 | C5 | 167.7° | 132.6° |
| C18 | C3 | C4 | H1 | 71.4° | 12.1° |
| C18 | C3 | C4 | H2 | 46.8° | 106.9° |
| C3 | C18 | C22 | H25 | 2.5° | 1.1° |
| C3 | C18 | C19 | H36 | 174.5° | 169.6° |
| C3 | C18 | C19 | H37 | 66.3° | 70.2° |
| C4 | C3 | C18 | C19 | 165.1° | 166.5° |
| C3 | C4 | C5 | H1 | 120.9° | 120.5° |
| C3 | C4 | C5 | H2 | 120.9° | 120.4° |
| C3 | C4 | C5 | C6 | 17.8° | 72.9° |
| C3 | C4 | H1 | H2 | 117.2° | 119.0° |
| C3 | C4 | C5 | H3 | 103.1° | 167.2° |
| C3 | C4 | C5 | H4 | 138.7° | 47.0° |
| C18 | C19 | C20 | H21 | 70.8° | 66.1° |
| C18 | C19 | C20 | H22 | 169.9° | 174.3° |
| C19 | C18 | C22 | H25 | 179.4° | 178.8° |
| C18 | C19 | H36 | H37 | 118.8° | 120.2° |
| C19 | C18 | C3 | H42 | 50.8° | 57.1° |
| O30 | C29 | C28 | H27 | 64.0° | 63.4° |
| O30 | C29 | C28 | H28 | 176.1° | 56.5° |
| O30 | C29 | C31 | H43 | 177.3° | 65.7° |
| O30 | C29 | C31 | H44 | 58.1° | 54.9° |
| C4 | C5 | C6 | H3 | 120.9° | 119.9° |
| C4 | C5 | C6 | H4 | 120.9° | 119.9° |
| C5 | C4 | H1 | H2 | 117.1° | 119.2° |
| C4 | C5 | H3 | H4 | 117.1° | 120.2° |
| C4 | C5 | C6 | H5 | 43.8° | 58.2° |
| C4 | C5 | C6 | H6 | 161.8° | 175.6° |
| C5 | C4 | C3 | H42 | 53.3° | 23.4° |
| C6 | C5 | C4 | H1 | 138.7° | 166.6° |
| C6 | C5 | C4 | H2 | 103.2° | 47.5° |
| C6 | C5 | H3 | H4 | 117.2° | 120.2° |
| C5 | C6 | H5 | H6 | 116.7° | 117.4° |
| C5 | C6 | C7 | H7 | 147.7° | 154.5° |
| C5 | C6 | C7 | H8 | 94.6° | 34.8° |
| H1 | C4 | C5 | H3 | 17.8° | 46.8° |
| H1 | C4 | C5 | H4 | 100.4° | 73.5° |
| H1 | C4 | C3 | H42 | 174.2° | 97.1° |
| H2 | C4 | C5 | H3 | 135.9° | 72.4° |
| H2 | C4 | C5 | H4 | 17.8° | 167.4° |
| H2 | C4 | C3 | H42 | 67.6° | 143.9° |
| H3 | C5 | C6 | H5 | 164.7° | 61.7° |
| H3 | C5 | C6 | H6 | 77.3° | 55.7° |
| H4 | C5 | C6 | H5 | 77.1° | 178.1° |
| H4 | C5 | C6 | H6 | 40.9° | 64.5° |
| H5 | C6 | C7 | H7 | 26.7° | 84.1° |
| H5 | C6 | C7 | H8 | 144.3° | 156.2° |
| H6 | C6 | C7 | H7 | 91.3° | 33.2° |
| H6 | C6 | C7 | H8 | 26.4° | 86.6° |
| H7 | C7 | C8 | H9 | 179.1° | 91.8° |
| H8 | C7 | C8 | H9 | 63.3° | 148.5° |
| H9 | C8 | C9 | H45 | 105.2° | 175.2° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H10 | C10 | C9 | H45 | 62.8° | 66.5° |
| H11 | C10 | C9 | H45 | 57.2° | 173.4° |
| H12 | C10 | C9 | H45 | 177.2° | 53.5° |
| H13 | C13 | C12 | H34 | 90.1° | 60.0° |
| H13 | C13 | C12 | H35 | 150.6° | 179.9° |
| H14 | C13 | C12 | H34 | 27.9° | NaN° |
| H14 | C13 | C12 | H35 | 91.4° | 60.1° |
| H15 | C15 | H16 | H17 | 120.0° | 120.1° |
| H18 | C17 | H19 | H20 | 120.0° | 119.9° |
| H21 | C20 | C21 | H23 | 53.1° | 178.0° |
| H21 | C20 | C21 | H24 | 172.0° | 61.7° |
| H21 | C20 | C19 | H36 | 49.5° | 53.8° |
| H21 | C20 | C19 | H37 | 168.7° | 174.1° |
| H22 | C20 | C21 | H23 | 66.2° | 62.5° |
| H22 | C20 | C21 | H24 | 52.7° | 57.8° |
| H22 | C20 | C19 | H36 | 69.7° | 65.8° |
| H22 | C20 | C19 | H37 | 49.5° | 54.5° |
| H25 | C22 | C23 | H38 | 170.9° | 179.4° |
| H26 | C26 | C28 | H27 | 61.7° | 63.5° |
| H26 | C26 | C28 | H28 | 178.4° | 56.3° |
| H26 | C26 | C25 | H39 | 54.1° | 54.9° |
| H26 | C26 | C25 | H40 | 173.2° | 65.6° |
| H26 | C26 | O27 | H47 | 60.7° | 60.0° |
| H27 | C28 | C29 | H41 | 57.5° | 176.6° |
| H28 | C28 | C29 | H41 | 62.4° | 63.6° |
| H29 | C1 | H30 | H31 | 120.0° | 120.0° |
| H32 | C11 | C12 | H34 | 163.7° | 180.0° |
| H32 | C11 | C12 | H35 | 44.4° | 60.0° |
| H32 | C11 | C9 | H45 | 174.2° | 166.6° |
| H33 | C11 | C12 | H34 | 78.1° | 60.0° |
| H33 | C11 | C12 | H35 | 162.6° | 180.0° |
| H33 | C11 | C9 | H45 | 56.0° | 46.6° |
| H41 | C29 | C31 | H43 | 56.1° | 54.3° |
| H41 | C29 | C31 | H44 | 63.1° | 174.9° |
| H41 | C29 | O30 | H48 | 59.6° | 59.9° |
