I72
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 | |
| C14 | O16 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| 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 | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C2 | sing | 1.52Å | 1.54Å | |
| C20 | C19 | sing | 1.52Å | 1.53Å | |
| C2 | C8 | sing | 1.54Å | 1.56Å | |
| C2 | C3 | sing | 1.51Å | 1.56Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C32 | C31 | doub | 1.33Å | 1.32Å | |
| C31 | C24 | sing | 1.48Å | 1.44Å | |
| C31 | C29 | sing | 1.52Å | 1.51Å | |
| C25 | C24 | sing | 1.52Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | C26 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | doub | 1.35Å | 1.35Å | |
| O30 | C29 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.52Å | 1.50Å | |
| C23 | C22 | sing | 1.47Å | 1.39Å | |
| C18 | C22 | doub | 1.33Å | 1.35Å | |
| C18 | C3 | sing | 1.50Å | 1.50Å | |
| C7 | C6 | sing | 1.52Å | 1.53Å | |
| C3 | C4 | sing | 1.47Å | 1.53Å | |
| C26 | O27 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.55Å | 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 | |
| C32 | H43 | sing | 1.08Å | 1.08Å | |
| C32 | H44 | sing | 1.08Å | 1.08Å | |
| 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 | 111.4° | 109.5° |
| C17 | C14 | O16 | 108.1° | 109.5° |
| C17 | C14 | C13 | 110.7° | 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 | O16 | 108.2° | 109.5° |
| C15 | C14 | C13 | 110.5° | 109.4° |
| C14 | C15 | H15 | 109.5° | 109.4° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| O16 | C14 | C13 | 107.8° | 109.4° |
| C14 | O16 | H46 | 109.5° | 114.0° |
| C14 | C13 | C12 | 116.0° | 109.4° |
| C14 | C13 | H13 | 107.8° | 109.5° |
| C14 | C13 | H14 | 107.8° | 109.5° |
| C13 | C12 | C11 | 112.0° | 109.5° |
| C12 | C13 | H13 | 107.8° | 109.5° |
| C12 | C13 | H14 | 107.8° | 109.5° |
| C13 | C12 | H34 | 108.9° | 109.5° |
| C13 | C12 | H35 | 108.9° | 109.5° |
| C12 | C11 | C9 | 114.3° | 109.5° |
| C12 | C11 | H32 | 108.3° | 109.5° |
| C12 | C11 | H33 | 108.3° | 109.5° |
| C11 | C12 | H34 | 108.8° | 109.5° |
| C11 | C12 | H35 | 108.9° | 109.5° |
| C11 | C9 | C10 | 110.2° | 109.4° |
| C11 | C9 | C8 | 108.8° | 109.5° |
| C9 | C11 | H32 | 108.2° | 109.4° |
| C9 | C11 | H33 | 108.2° | 109.4° |
| C11 | C9 | H45 | 108.1° | 109.5° |
| C10 | C9 | C8 | 113.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C10 | C9 | H45 | 108.2° | 109.5° |
| C9 | C8 | C2 | 118.8° | 109.4° |
| C9 | C8 | C7 | 112.3° | 109.4° |
| C9 | C8 | H9 | 100.8° | 109.5° |
| C8 | C9 | H45 | 108.0° | 109.6° |
| C1 | C2 | C21 | 108.1° | 106.8° |
| C1 | C2 | C8 | 109.5° | 107.0° |
| C1 | C2 | C3 | 110.0° | 106.5° |
| C2 | C1 | H29 | 109.5° | 109.5° |
| C2 | C1 | H30 | 109.5° | 109.4° |
| C2 | C1 | H31 | 109.5° | 109.5° |
| C20 | C21 | C2 | 113.2° | 109.0° |
| C21 | C20 | C19 | 112.4° | 111.0° |
| C21 | C20 | H21 | 108.7° | 108.6° |
| C21 | C20 | H22 | 108.7° | 109.2° |
| C20 | C21 | H23 | 108.5° | 109.5° |
| C20 | C21 | H24 | 108.5° | 109.5° |
| C21 | C2 | C8 | 106.4° | 111.7° |
| C21 | C2 | C3 | 106.8° | 110.3° |
| C2 | C21 | H23 | 108.5° | 109.6° |
| C2 | C21 | H24 | 108.5° | 109.6° |
| C20 | C19 | C18 | 109.5° | 109.1° |
| C19 | C20 | H21 | 108.8° | 109.3° |
| C19 | C20 | H22 | 108.8° | 109.3° |
| C20 | C19 | H36 | 109.5° | 109.5° |
| C20 | C19 | H37 | 109.5° | 109.5° |
| C8 | C2 | C3 | 115.7° | 114.1° |
| C2 | C8 | C7 | 118.6° | 109.5° |
| C2 | C8 | H9 | 100.6° | 109.4° |
| C2 | C3 | C18 | 110.9° | 110.5° |
| C2 | C3 | C4 | 116.4° | 120.8° |
| C2 | C3 | H42 | 104.4° | 101.9° |
| C8 | C7 | C6 | 118.0° | 109.9° |
| C8 | C7 | H7 | 107.3° | 109.4° |
| C8 | C7 | H8 | 107.3° | 109.3° |
| C7 | C8 | H9 | 100.9° | 109.5° |
| C32 | C31 | C24 | 123.2° | 121.6° |
| C32 | C31 | C29 | 120.1° | 121.6° |
| C31 | C32 | H43 | 120.0° | 120.0° |
| C31 | C32 | H44 | 120.0° | 120.0° |
| C24 | C31 | C29 | 116.7° | 116.8° |
| C31 | C24 | C25 | 114.5° | 116.8° |
| C31 | C24 | C23 | 125.4° | 121.6° |
| C31 | C29 | C28 | 110.1° | 108.3° |
| C31 | C29 | O30 | 110.7° | 109.5° |
| C31 | C29 | H41 | 108.1° | 109.9° |
| C24 | C25 | C26 | 116.3° | 108.4° |
| C25 | C24 | C23 | 119.9° | 121.6° |
| C24 | C25 | H39 | 107.7° | 109.7° |
| C24 | C25 | H40 | 107.7° | 109.6° |
| C25 | C26 | C28 | 109.5° | 109.9° |
| C25 | C26 | O27 | 108.2° | 109.4° |
| C25 | C26 | H26 | 109.8° | 109.5° |
| C26 | C25 | H39 | 107.8° | 109.7° |
| C26 | C25 | H40 | 107.8° | 109.7° |
| C29 | C28 | C26 | 109.7° | 109.9° |
| C28 | C29 | O30 | 110.8° | 109.7° |
| C29 | C28 | H27 | 109.4° | 109.5° |
| C29 | C28 | H28 | 109.4° | 109.4° |
| C28 | C29 | H41 | 108.0° | 109.7° |
| C28 | C26 | O27 | 108.6° | 109.4° |
| C28 | C26 | H26 | 109.8° | 109.3° |
| C26 | C28 | H27 | 109.4° | 109.5° |
| C26 | C28 | H28 | 109.4° | 109.1° |
| C24 | C23 | C22 | 125.9° | 120.0° |
| C24 | C23 | H38 | 117.1° | 120.0° |
| O30 | C29 | H41 | 109.2° | 109.7° |
| C29 | O30 | H48 | 109.5° | 114.0° |
| C19 | C18 | C22 | 125.1° | 121.5° |
| C19 | C18 | C3 | 111.6° | 116.9° |
| C18 | C19 | H36 | 109.5° | 109.9° |
| C18 | C19 | H37 | 109.4° | 109.1° |
| C23 | C22 | C18 | 126.8° | 120.0° |
| C23 | C22 | H25 | 116.6° | 120.0° |
| C22 | C23 | H38 | 117.1° | 120.0° |
| C22 | C18 | C3 | 123.1° | 121.5° |
| C18 | C22 | H25 | 116.6° | 120.0° |
| C18 | C3 | C4 | 114.2° | 116.7° |
| C18 | C3 | H42 | 104.9° | 101.4° |
| C7 | C6 | C5 | 117.1° | 115.1° |
| C7 | C6 | H5 | 107.5° | 108.4° |
| C7 | C6 | H6 | 107.6° | 108.2° |
| C6 | C7 | H7 | 107.3° | 109.4° |
| C6 | C7 | H8 | 107.3° | 109.4° |
| C3 | C4 | C5 | 114.6° | 111.3° |
| C3 | C4 | H1 | 108.2° | 109.1° |
| C3 | C4 | H2 | 108.2° | 109.1° |
| C4 | C3 | H42 | 104.6° | 101.7° |
| O27 | C26 | H26 | 110.9° | 109.4° |
| C26 | O27 | H47 | 109.5° | 114.0° |
| C4 | C5 | C6 | 114.8° | 109.1° |
| C5 | C4 | H1 | 108.2° | 109.1° |
| C5 | C4 | H2 | 108.2° | 109.1° |
| C4 | C5 | H3 | 108.1° | 109.6° |
| C4 | C5 | H4 | 108.1° | 109.6° |
| C6 | C5 | H3 | 108.1° | 109.5° |
| C6 | C5 | H4 | 108.1° | 109.5° |
| C5 | C6 | H5 | 107.5° | 108.3° |
| C5 | C6 | H6 | 107.5° | 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° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| 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 | 109.4° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H20 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.3° |
| H23 | C21 | H24 | 109.5° | 109.6° |
| H27 | C28 | H28 | 109.5° | 109.4° |
| H29 | C1 | H30 | 109.4° | 109.5° |
| H29 | C1 | H31 | 109.4° | 109.5° |
| H30 | C1 | H31 | 109.5° | 109.4° |
| H32 | C11 | H33 | 109.5° | 109.5° |
| H34 | C12 | H35 | 109.5° | 109.5° |
| H36 | C19 | H37 | 109.5° | 109.7° |
| H39 | C25 | H40 | 109.5° | 109.7° |
| H43 | C32 | H44 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C14 | C15 | O16 | 118.7° | 120.0° |
| C17 | C14 | C15 | C13 | 123.5° | 120.0° |
| C17 | C14 | O16 | C13 | 119.7° | 120.0° |
| C17 | C14 | C13 | C12 | 33.5° | 55.0° |
| C17 | C14 | C13 | H13 | 154.5° | 175.0° |
| C17 | C14 | C13 | H14 | 87.4° | 65.0° |
| C17 | C14 | C15 | H15 | 180.0° | 60.0° |
| C17 | C14 | C15 | H16 | 60.0° | 180.0° |
| C17 | C14 | C15 | H17 | 60.0° | 60.0° |
| C14 | C17 | H18 | H19 | 120.0° | 120.0° |
| C14 | C17 | H18 | H20 | 120.0° | 120.0° |
| C14 | C17 | H19 | H20 | 120.0° | 120.1° |
| C17 | C14 | O16 | H46 | 180.0° | 60.0° |
| C15 | C14 | O16 | C13 | 119.6° | 119.9° |
| C15 | C14 | C13 | C12 | 157.4° | 175.0° |
| C15 | C14 | C13 | H13 | 81.6° | 65.0° |
| C15 | C14 | C13 | H14 | 36.5° | 55.0° |
| C14 | C15 | H15 | H16 | 120.0° | 119.9° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.1° |
| C15 | C14 | C17 | H18 | 180.0° | 59.9° |
| C15 | C14 | C17 | H19 | 60.0° | 179.9° |
| C15 | C14 | C17 | H20 | 60.0° | 60.0° |
| C15 | C14 | O16 | H46 | 59.3° | 60.1° |
| O16 | C14 | C13 | C12 | 84.5° | 65.0° |
| O16 | C14 | C13 | H13 | 36.5° | 54.9° |
| O16 | C14 | C13 | H14 | 154.5° | 175.0° |
| O16 | C14 | C15 | H15 | 61.4° | 60.0° |
| O16 | C14 | C15 | H16 | 58.7° | 59.9° |
| O16 | C14 | C15 | H17 | 178.7° | 180.0° |
| O16 | C14 | C17 | H18 | 61.3° | 180.0° |
| O16 | C14 | C17 | H19 | 178.7° | 60.0° |
| O16 | C14 | C17 | H20 | 58.7° | 60.0° |
| C14 | C13 | C12 | H13 | 120.9° | 120.0° |
| C14 | C13 | C12 | H14 | 121.0° | 120.0° |
| C14 | C13 | C12 | C11 | 136.1° | 180.0° |
| C14 | C13 | H13 | H14 | 117.0° | 120.0° |
| C13 | C14 | C15 | H15 | 56.5° | 180.0° |
| C13 | C14 | C15 | H16 | 176.5° | 60.0° |
| C13 | C14 | C15 | H17 | 63.5° | 60.0° |
| C13 | C14 | C17 | H18 | 56.6° | 60.0° |
| C13 | C14 | C17 | H19 | 63.4° | 60.0° |
| C13 | C14 | C17 | H20 | 176.6° | 180.0° |
| C14 | C13 | C12 | H34 | 103.6° | 60.0° |
| C14 | C13 | C12 | H35 | 15.7° | 60.0° |
| C13 | C14 | O16 | H46 | 60.3° | 180.0° |
| C13 | C12 | C11 | H34 | 120.4° | 120.0° |
| C13 | C12 | C11 | H35 | 120.4° | 120.0° |
| C13 | C12 | C11 | C9 | 158.7° | 180.0° |
| C12 | C13 | H13 | H14 | 117.1° | 120.0° |
| C13 | C12 | C11 | H32 | 80.6° | 60.0° |
| C13 | C12 | C11 | H33 | 38.0° | 60.0° |
| C13 | C12 | H34 | H35 | 118.9° | 120.0° |
| C12 | C11 | C9 | H32 | 120.7° | 120.1° |
| C12 | C11 | C9 | H33 | 120.7° | 120.0° |
| C12 | C11 | C9 | C10 | 91.0° | 44.4° |
| C12 | C11 | C9 | C8 | 144.0° | 164.4° |
| C11 | C12 | C13 | H13 | 15.1° | 60.0° |
| C11 | C12 | C13 | H14 | 103.0° | 60.0° |
| C12 | C11 | H32 | H33 | 117.9° | 120.0° |
| C11 | C12 | H34 | H35 | 118.9° | 120.0° |
| C12 | C11 | C9 | H45 | 27.0° | 75.5° |
| C11 | C9 | C10 | C8 | 122.3° | 120.0° |
| C11 | C9 | C10 | H45 | 117.9° | 119.9° |
| C11 | C9 | C8 | H45 | 117.1° | 120.0° |
| C11 | C9 | C8 | C2 | 131.6° | 67.0° |
| C11 | C9 | C8 | C7 | 83.6° | 173.0° |
| C11 | C9 | C8 | H9 | 23.0° | 53.0° |
| C11 | C9 | C10 | H10 | 180.0° | 66.2° |
| C11 | C9 | C10 | H11 | 60.0° | 173.8° |
| C11 | C9 | C10 | H12 | 60.0° | 53.8° |
| C9 | C11 | H32 | H33 | 117.8° | 119.9° |
| C9 | C11 | C12 | H34 | 38.3° | 60.0° |
| C9 | C11 | C12 | H35 | 80.9° | 60.0° |
| C10 | C9 | C8 | H45 | 119.9° | 120.0° |
| C10 | C9 | C8 | C2 | 105.3° | 173.1° |
| C10 | C9 | C8 | C7 | 39.4° | 53.0° |
| C10 | C9 | C8 | H9 | 146.1° | 67.0° |
| C9 | C10 | H10 | H11 | 120.0° | 120.0° |
| C9 | C10 | H10 | H12 | 120.0° | 120.1° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| C10 | C9 | C11 | H32 | 29.7° | 75.7° |
| C10 | C9 | C11 | H33 | 148.3° | 164.4° |
| C9 | C8 | C2 | C1 | 59.2° | 80.5° |
| C9 | C8 | C2 | C21 | 57.3° | 36.2° |
| C9 | C8 | C2 | C7 | 142.5° | 120.0° |
| C9 | C8 | C2 | H9 | 108.7° | 120.0° |
| C9 | C8 | C2 | C3 | 175.7° | 162.1° |
| C9 | C8 | C7 | H9 | 106.6° | 120.0° |
| C9 | C8 | C7 | C6 | 166.8° | 148.1° |
| C9 | C8 | C7 | H7 | 72.0° | 27.9° |
| C9 | C8 | C7 | H8 | 45.5° | 91.9° |
| C8 | C9 | C10 | H10 | 57.7° | 53.7° |
| C8 | C9 | C10 | H11 | 177.7° | 66.2° |
| C8 | C9 | C10 | H12 | 62.3° | 173.8° |
| C8 | C9 | C11 | H32 | 95.3° | 44.3° |
| C8 | C9 | C11 | H33 | 23.3° | 75.6° |
| C1 | C2 | C21 | C20 | 64.1° | 53.9° |
| C1 | C2 | C21 | C8 | 117.5° | 116.7° |
| C1 | C2 | C21 | C3 | 118.4° | 115.3° |
| C1 | C2 | C8 | C3 | 125.0° | 117.5° |
| C1 | C2 | C8 | C7 | 158.2° | 159.6° |
| C1 | C2 | C3 | C18 | 58.8° | 60.7° |
| C1 | C2 | C3 | C4 | 74.1° | 80.6° |
| C1 | C2 | C8 | H9 | 49.5° | 39.5° |
| C1 | C2 | C21 | H23 | 175.4° | 173.7° |
| C1 | C2 | C21 | H24 | 56.5° | 65.9° |
| C2 | C1 | H29 | H30 | 120.0° | 119.9° |
| C2 | C1 | H29 | H31 | 120.0° | 120.0° |
| C2 | C1 | H30 | H31 | 120.0° | 119.9° |
| C1 | C2 | C3 | H42 | 171.3° | 167.9° |
| C20 | C21 | C2 | H23 | 120.5° | 119.8° |
| C20 | C21 | C2 | H24 | 120.5° | 119.8° |
| C21 | C20 | C19 | H21 | 120.4° | 119.8° |
| C21 | C20 | C19 | H22 | 120.4° | 120.6° |
| C20 | C21 | C2 | C8 | 178.4° | 170.6° |
| C20 | C21 | C2 | C3 | 54.3° | 61.4° |
| C21 | C20 | C19 | C18 | 53.0° | 53.7° |
| C21 | C20 | H21 | H22 | 118.6° | 119.1° |
| C20 | C21 | H23 | H24 | 118.3° | 120.1° |
| C21 | C20 | C19 | H36 | 173.0° | 174.0° |
| C21 | C20 | C19 | H37 | 67.0° | 65.6° |
| C2 | C21 | C20 | C19 | 53.7° | 61.5° |
| C21 | C2 | C8 | C3 | 118.4° | 125.9° |
| C21 | C2 | C8 | C7 | 85.2° | 83.8° |
| C21 | C2 | C3 | C18 | 58.2° | 54.8° |
| C21 | C2 | C3 | C4 | 168.8° | 163.8° |
| C21 | C2 | C8 | H9 | 166.1° | 156.1° |
| C2 | C21 | C20 | H21 | 66.7° | 58.7° |
| C2 | C21 | C20 | H22 | 174.2° | 177.8° |
| C2 | C21 | H23 | H24 | 118.3° | 120.3° |
| C21 | C2 | C1 | H29 | 180.0° | 77.3° |
| C21 | C2 | C1 | H30 | 60.0° | 162.7° |
| C21 | C2 | C1 | H31 | 60.0° | 42.8° |
| C21 | C2 | C3 | H42 | 54.2° | 52.3° |
| C20 | C19 | C18 | H36 | 120.0° | 120.1° |
| C20 | C19 | C18 | H37 | 120.0° | 119.6° |
| C20 | C19 | C18 | C22 | 118.0° | 130.7° |
| C20 | C19 | C18 | C3 | 57.9° | 49.4° |
| C19 | C20 | H21 | H22 | 118.7° | 119.6° |
| C19 | C20 | C21 | H23 | 66.8° | 58.4° |
| C19 | C20 | C21 | H24 | 174.2° | 178.6° |
| C20 | C19 | H36 | H37 | 120.0° | 120.2° |
| C2 | C8 | C7 | H9 | 108.6° | 120.0° |
| C8 | C2 | C3 | C18 | 176.4° | 178.5° |
| C2 | C8 | C7 | C6 | 48.4° | 92.0° |
| C8 | C2 | C3 | C4 | 50.7° | 37.1° |
| C2 | C8 | C7 | H7 | 72.8° | 147.9° |
| C2 | C8 | C7 | H8 | 169.6° | 28.1° |
| C8 | C2 | C21 | H23 | 57.9° | 69.5° |
| C8 | C2 | C21 | H24 | 61.0° | 50.8° |
| C8 | C2 | C1 | H29 | 64.5° | 162.9° |
| C8 | C2 | C1 | H30 | 55.5° | 42.9° |
| C8 | C2 | C1 | H31 | 175.5° | 77.1° |
| C8 | C2 | C3 | H42 | 64.0° | 74.3° |
| C2 | C8 | C9 | H45 | 14.6° | 53.0° |
| C3 | C2 | C8 | C7 | 33.2° | 42.1° |
| C2 | C3 | C18 | C19 | 62.5° | 50.4° |
| C2 | C3 | C18 | C22 | 113.5° | 129.7° |
| C2 | C3 | C18 | C4 | 134.0° | 143.1° |
| C2 | C3 | C18 | H42 | 112.1° | 107.5° |
| C2 | C3 | C4 | H42 | 114.5° | 111.6° |
| C2 | C3 | C4 | C5 | 66.8° | 88.3° |
| C2 | C3 | C4 | H1 | 54.0° | 151.3° |
| C2 | C3 | C4 | H2 | 172.5° | 32.2° |
| C3 | C2 | C8 | H9 | 75.5° | 77.9° |
| C3 | C2 | C21 | H23 | 66.2° | 58.4° |
| C3 | C2 | C21 | H24 | 174.8° | 178.7° |
| C3 | C2 | C1 | H29 | 63.8° | 40.5° |
| C3 | C2 | C1 | H30 | 176.3° | 79.5° |
| C3 | C2 | C1 | H31 | 56.2° | 160.6° |
| C8 | C7 | C6 | H7 | 121.2° | 120.2° |
| C8 | C7 | C6 | H8 | 121.2° | 120.0° |
| C8 | C7 | C6 | C5 | 28.7° | 85.3° |
| C8 | C7 | C6 | H5 | 92.4° | 36.1° |
| C8 | C7 | C6 | H6 | 149.8° | 153.3° |
| C8 | C7 | H7 | H8 | 116.1° | 119.7° |
| C7 | C8 | C9 | H45 | 159.3° | 67.0° |
| C32 | C31 | C24 | C29 | 177.6° | 180.0° |
| C32 | C31 | C24 | C25 | 138.5° | 136.7° |
| C32 | C31 | C29 | C28 | 127.1° | 133.4° |
| C32 | C31 | C24 | C23 | 37.3° | 43.1° |
| C32 | C31 | C29 | O30 | 4.3° | 106.9° |
| C32 | C31 | C29 | H41 | 115.2° | 13.6° |
| C31 | C32 | H43 | H44 | 180.0° | 180.0° |
| C31 | C24 | C25 | C23 | 176.0° | 179.8° |
| C31 | C24 | C25 | C26 | 38.4° | 46.8° |
| C24 | C31 | C29 | C28 | 50.5° | 46.5° |
| C24 | C31 | C29 | O30 | 173.4° | 73.1° |
| C31 | C24 | C23 | C22 | 3.9° | 0.3° |
| C31 | C24 | C23 | H38 | 176.1° | 179.8° |
| C31 | C24 | C25 | H39 | 82.6° | 166.6° |
| C31 | C24 | C25 | H40 | 159.4° | 72.9° |
| C24 | C31 | C29 | H41 | 67.2° | 166.4° |
| C24 | C31 | C32 | H43 | 177.5° | 0.1° |
| C24 | C31 | C32 | H44 | 2.5° | 180.0° |
| C29 | C31 | C24 | C25 | 39.1° | 43.3° |
| C31 | C29 | C28 | O30 | 122.8° | 119.5° |
| C31 | C29 | C28 | H41 | 117.8° | 119.9° |
| C31 | C29 | C28 | C26 | 60.0° | 57.4° |
| C29 | C31 | C24 | C23 | 145.1° | 136.9° |
| C31 | C29 | O30 | H41 | 118.8° | 120.7° |
| C31 | C29 | C28 | H27 | 180.0° | 177.8° |
| C31 | C29 | C28 | H28 | 60.0° | 62.4° |
| C29 | C31 | C32 | H43 | 0.0° | 180.0° |
| C29 | C31 | C32 | H44 | 180.0° | 0.0° |
| C31 | C29 | O30 | H48 | 180.0° | 61.2° |
| C24 | C25 | C26 | H39 | 121.0° | 119.7° |
| C24 | C25 | C26 | H40 | 121.0° | 119.7° |
| C24 | C25 | C26 | C28 | 48.5° | 57.7° |
| C25 | C24 | C23 | C22 | 179.4° | 180.0° |
| C24 | C25 | C26 | O27 | 69.7° | 177.7° |
| C24 | C25 | C26 | H26 | 169.1° | 62.4° |
| C25 | C24 | C23 | H38 | 0.6° | 0.0° |
| C24 | C25 | H39 | H40 | 116.8° | 120.5° |
| C25 | C26 | C28 | C29 | 59.0° | 66.0° |
| C25 | C26 | C28 | O27 | 117.9° | 120.1° |
| C25 | C26 | C28 | H26 | 120.6° | 120.1° |
| C26 | C25 | C24 | C23 | 145.6° | 133.4° |
| C25 | C26 | O27 | H26 | 120.5° | 119.9° |
| C25 | C26 | C28 | H27 | 179.1° | 173.7° |
| C25 | C26 | C28 | H28 | 61.0° | 54.0° |
| C26 | C25 | H39 | H40 | 116.9° | 120.6° |
| C25 | C26 | O27 | H47 | 180.0° | 59.9° |
| C29 | C28 | C26 | H27 | 120.0° | 120.3° |
| C29 | C28 | C26 | H28 | 120.0° | 120.0° |
| C28 | C29 | O30 | H41 | 118.7° | 120.5° |
| C29 | C28 | C26 | O27 | 58.9° | 173.9° |
| C29 | C28 | C26 | H26 | 179.6° | 54.1° |
| C29 | C28 | H27 | H28 | 119.9° | 119.8° |
| C28 | C29 | O30 | H48 | 57.5° | 180.0° |
| C26 | C28 | C29 | O30 | 177.2° | 62.1° |
| C28 | C26 | O27 | H26 | 120.8° | 119.7° |
| C26 | C28 | H27 | H28 | 119.9° | 119.6° |
| C28 | C26 | C25 | H39 | 72.5° | 177.4° |
| C28 | C26 | C25 | H40 | 169.5° | 62.0° |
| C26 | C28 | C29 | H41 | 57.8° | 177.4° |
| C28 | C26 | O27 | H47 | 61.3° | 179.7° |
| C24 | C23 | C22 | H38 | 180.0° | 180.0° |
| C24 | C23 | C22 | C18 | 168.9° | 179.6° |
| C24 | C23 | C22 | H25 | 11.1° | 0.4° |
| C23 | C24 | C25 | H39 | 93.4° | 13.7° |
| C23 | C24 | C25 | H40 | 24.6° | 106.9° |
| O30 | C29 | C28 | H27 | 57.2° | 58.3° |
| O30 | C29 | C28 | H28 | 62.8° | 178.1° |
| C19 | C18 | C22 | C23 | 2.1° | 6.6° |
| C19 | C18 | C22 | C3 | 175.5° | 180.0° |
| C19 | C18 | C3 | C4 | 163.5° | 166.5° |
| C18 | C19 | C20 | H21 | 67.4° | 66.1° |
| C18 | C19 | C20 | H22 | 173.5° | 174.3° |
| C19 | C18 | C22 | H25 | 177.9° | 173.3° |
| C18 | C19 | H36 | H37 | 120.0° | 119.9° |
| C19 | C18 | C3 | H42 | 49.6° | 57.1° |
| C23 | C22 | C18 | H25 | 180.0° | 180.0° |
| C23 | C22 | C18 | C3 | 177.5° | 173.3° |
| C22 | C18 | C3 | C4 | 20.5° | 13.4° |
| C22 | C18 | C19 | H36 | 2.0° | 10.5° |
| C22 | C18 | C19 | H37 | 122.0° | 109.7° |
| C18 | C22 | C23 | H38 | 11.1° | 0.4° |
| C22 | C18 | C3 | H42 | 134.4° | 122.9° |
| C18 | C3 | C4 | H42 | 114.1° | 109.3° |
| C18 | C3 | C4 | C5 | 161.9° | 132.6° |
| C18 | C3 | C4 | H1 | 77.4° | 12.2° |
| C18 | C3 | C4 | H2 | 41.1° | 106.9° |
| C3 | C18 | C22 | H25 | 2.4° | 6.7° |
| C3 | C18 | C19 | H36 | 177.9° | 169.5° |
| C3 | C18 | C19 | H37 | 62.1° | 70.2° |
| C7 | C6 | C5 | C4 | 76.9° | 63.2° |
| C7 | C6 | C5 | H5 | 121.1° | 121.4° |
| C7 | C6 | C5 | H6 | 121.1° | 121.3° |
| C7 | C6 | C5 | H3 | 43.8° | 176.9° |
| C7 | C6 | C5 | H4 | 162.2° | 56.7° |
| C7 | C6 | H5 | H6 | 116.6° | 117.2° |
| C6 | C7 | H7 | H8 | 116.2° | 119.8° |
| C6 | C7 | C8 | H9 | 60.2° | 28.1° |
| C3 | C4 | C5 | H1 | 120.7° | 120.4° |
| C3 | C4 | C5 | H2 | 120.8° | 120.5° |
| C3 | C4 | C5 | C6 | 14.9° | 72.9° |
| C3 | C4 | H1 | H2 | 117.7° | 119.1° |
| C3 | C4 | C5 | H3 | 105.8° | 167.2° |
| C3 | C4 | C5 | H4 | 135.8° | 46.9° |
| O27 | C26 | C28 | H27 | 61.1° | 53.6° |
| O27 | C26 | C28 | H28 | 178.9° | 66.1° |
| O27 | C26 | C25 | H39 | 169.3° | 62.5° |
| O27 | C26 | C25 | H40 | 51.3° | 58.1° |
| C4 | C5 | C6 | H3 | 120.8° | 119.9° |
| C4 | C5 | C6 | H4 | 120.8° | 119.9° |
| C5 | C4 | H1 | H2 | 117.7° | 119.1° |
| C4 | C5 | H3 | H4 | 117.6° | 120.2° |
| C4 | C5 | C6 | H5 | 44.1° | 58.3° |
| C4 | C5 | C6 | H6 | 161.9° | 175.6° |
| C5 | C4 | C3 | H42 | 47.8° | 23.3° |
| C6 | C5 | C4 | H1 | 135.7° | 166.6° |
| C6 | C5 | C4 | H2 | 105.8° | 47.5° |
| C6 | C5 | H3 | H4 | 117.6° | 120.1° |
| C5 | C6 | H5 | H6 | 116.5° | 117.3° |
| C5 | C6 | C7 | H7 | 149.9° | 154.5° |
| C5 | C6 | C7 | H8 | 92.5° | 34.7° |
| H1 | C4 | C5 | H3 | 14.9° | 46.7° |
| H1 | C4 | C5 | H4 | 103.5° | 73.5° |
| H1 | C4 | C3 | H42 | 168.5° | 97.1° |
| H2 | C4 | C5 | H3 | 133.4° | 72.4° |
| H2 | C4 | C5 | H4 | 15.0° | 167.4° |
| H2 | C4 | C3 | H42 | 73.0° | 143.8° |
| H3 | C5 | C6 | H5 | 164.9° | 61.7° |
| H3 | C5 | C6 | H6 | 77.3° | 55.6° |
| H4 | C5 | C6 | H5 | 76.7° | 178.2° |
| H4 | C5 | C6 | H6 | 41.1° | 64.6° |
| H5 | C6 | C7 | H7 | 28.8° | 84.1° |
| H5 | C6 | C7 | H8 | 146.4° | 156.1° |
| H6 | C6 | C7 | H7 | 89.0° | 33.2° |
| H6 | C6 | C7 | H8 | 28.6° | 86.7° |
| H7 | C7 | C8 | H9 | 178.6° | 92.1° |
| H8 | C7 | C8 | H9 | 61.1° | 148.1° |
| H9 | C8 | C9 | H45 | 94.0° | 173.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H10 | C10 | C9 | H45 | 62.1° | 173.8° |
| H11 | C10 | C9 | H45 | 57.9° | 53.9° |
| H12 | C10 | C9 | H45 | 177.9° | 66.1° |
| H13 | C13 | C12 | H34 | 135.5° | 60.0° |
| H13 | C13 | C12 | H35 | 105.3° | 180.0° |
| H14 | C13 | C12 | H34 | 17.4° | 180.0° |
| H14 | C13 | C12 | H35 | 136.6° | 60.0° |
| H15 | C15 | H16 | H17 | 119.9° | 120.0° |
| H18 | C17 | H19 | H20 | 120.0° | 119.9° |
| H21 | C20 | C21 | H23 | 172.7° | 178.6° |
| H21 | C20 | C21 | H24 | 53.8° | 61.2° |
| H21 | C20 | C19 | H36 | 52.6° | 54.2° |
| H21 | C20 | C19 | H37 | 172.6° | 174.6° |
| H22 | C20 | C21 | H23 | 53.6° | 62.3° |
| H22 | C20 | C21 | H24 | 65.3° | 57.9° |
| H22 | C20 | C19 | H36 | 66.6° | 65.4° |
| H22 | C20 | C19 | H37 | 53.5° | 55.0° |
| H25 | C22 | C23 | H38 | 168.9° | 179.5° |
| H26 | C26 | C28 | H27 | 60.4° | 66.2° |
| H26 | C26 | C28 | H28 | 59.6° | 174.1° |
| H26 | C26 | C25 | H39 | 48.1° | 57.4° |
| H26 | C26 | C25 | H40 | 69.9° | 177.9° |
| H26 | C26 | O27 | H47 | 59.5° | 60.0° |
| H27 | C28 | C29 | H41 | 62.3° | 62.3° |
| H28 | C28 | C29 | H41 | 177.8° | 57.6° |
| H29 | C1 | H30 | H31 | 120.0° | 120.1° |
| H32 | C11 | C12 | H34 | 159.0° | 180.0° |
| H32 | C11 | C12 | H35 | 39.7° | 60.0° |
| H32 | C11 | C9 | H45 | 147.7° | 164.4° |
| H33 | C11 | C12 | H34 | 82.4° | 60.0° |
| H33 | C11 | C12 | H35 | 158.4° | NaN° |
| H33 | C11 | C9 | H45 | 93.7° | 44.5° |
| H41 | C29 | O30 | H48 | 61.2° | 59.5° |
