EQ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C27 | doub | 1.22Å | 1.23Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | sing | 1.39Å | 1.48Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C38 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | doub | 1.38Å | 1.37Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C25 | C30 | sing | 1.51Å | 1.54Å | |
| C25 | C24 | sing | 1.39Å | 1.49Å | |
| C30 | C39 | sing | 1.53Å | 1.53Å | |
| C30 | C40 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | doub | 1.38Å | 1.34Å | |
| C23 | C22 | sing | 1.39Å | 1.48Å | |
| C22 | C37 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | doub | 1.38Å | 1.35Å | |
| C21 | C20 | sing | 1.39Å | 1.46Å | |
| C20 | C19 | doub | 1.38Å | 1.34Å | |
| C19 | C18 | sing | 1.40Å | 1.49Å | |
| C18 | C36 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.38Å | 1.36Å | |
| C17 | C16 | sing | 1.40Å | 1.47Å | |
| C16 | C15 | doub | 1.38Å | 1.34Å | |
| C15 | C14 | sing | 1.40Å | 1.47Å | |
| C14 | C13 | doub | 1.38Å | 1.35Å | |
| C35 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.40Å | 1.49Å | |
| C12 | C11 | doub | 1.38Å | 1.35Å | |
| C11 | C10 | sing | 1.40Å | 1.47Å | |
| C10 | C9 | doub | 1.37Å | 1.35Å | |
| C34 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.40Å | 1.49Å | |
| C8 | C7 | doub | 1.36Å | 1.34Å | |
| C7 | C6 | sing | 1.42Å | 1.50Å | |
| C33 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.32Å | 1.36Å | |
| C6 | C1 | sing | 1.50Å | 1.54Å | |
| C5 | C4 | sing | 1.50Å | 1.52Å | |
| C31 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C32 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C32 | H1 | sing | 1.09Å | 1.10Å | |
| C32 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H3 | sing | 1.09Å | 1.10Å | |
| C31 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| C15 | H28 | sing | 1.08Å | 1.08Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.08Å | 1.08Å | |
| C20 | H35 | sing | 1.08Å | 1.08Å | |
| C21 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å | |
| C24 | H41 | sing | 1.08Å | 1.08Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C27 | C28 | 118.1° | 119.7° |
| O27 | C27 | C26 | 120.9° | 119.6° |
| C28 | C27 | C26 | 121.0° | 120.7° |
| C27 | C28 | C29 | 111.6° | 109.3° |
| C27 | C28 | H45 | 108.9° | 109.5° |
| C27 | C28 | H46 | 109.0° | 109.5° |
| C27 | C26 | C38 | 116.9° | 119.3° |
| C27 | C26 | C25 | 120.9° | 121.4° |
| C28 | C29 | C30 | 113.9° | 108.9° |
| C29 | C28 | H45 | 109.0° | 109.6° |
| C29 | C28 | H46 | 108.9° | 109.5° |
| C28 | C29 | H47 | 108.3° | 109.5° |
| C28 | C29 | H48 | 108.3° | 109.6° |
| C38 | C26 | C25 | 122.1° | 119.3° |
| C26 | C38 | H42 | 109.5° | 109.5° |
| C26 | C38 | H43 | 109.4° | 109.4° |
| C26 | C38 | H44 | 109.5° | 109.5° |
| C26 | C25 | C30 | 120.8° | 120.8° |
| C26 | C25 | C24 | 122.7° | 119.6° |
| C29 | C30 | C25 | 111.7° | 109.3° |
| C29 | C30 | C39 | 109.5° | 109.2° |
| C29 | C30 | C40 | 106.6° | 109.8° |
| C30 | C29 | H47 | 108.4° | 109.6° |
| C30 | C29 | H48 | 108.3° | 109.6° |
| C30 | C25 | C24 | 116.2° | 119.6° |
| C25 | C30 | C39 | 108.9° | 109.5° |
| C25 | C30 | C40 | 112.4° | 109.5° |
| C25 | C24 | C23 | 125.3° | 120.0° |
| C25 | C24 | H41 | 117.3° | 120.0° |
| C39 | C30 | C40 | 107.6° | 109.5° |
| C30 | C39 | H52 | 109.5° | 109.4° |
| C30 | C39 | H53 | 109.5° | 109.4° |
| C30 | C39 | H54 | 109.4° | 109.5° |
| C30 | C40 | H49 | 109.5° | 109.5° |
| C30 | C40 | H50 | 109.4° | 109.4° |
| C30 | C40 | H51 | 109.5° | 109.4° |
| C24 | C23 | C22 | 119.7° | 120.0° |
| C24 | C23 | H40 | 120.1° | 120.0° |
| C23 | C24 | H41 | 117.4° | 120.0° |
| C23 | C22 | C37 | 120.4° | 120.0° |
| C23 | C22 | C21 | 117.1° | 120.0° |
| C22 | C23 | H40 | 120.1° | 120.0° |
| C37 | C22 | C21 | 122.4° | 120.0° |
| C22 | C37 | H37 | 109.5° | 109.4° |
| C22 | C37 | H38 | 109.5° | 109.5° |
| C22 | C37 | H39 | 109.5° | 109.4° |
| C22 | C21 | C20 | 124.7° | 120.0° |
| C22 | C21 | H36 | 117.7° | 120.0° |
| C21 | C20 | C19 | 122.5° | 120.0° |
| C21 | C20 | H35 | 118.8° | 120.0° |
| C20 | C21 | H36 | 117.6° | 120.0° |
| C20 | C19 | C18 | 122.2° | 119.9° |
| C20 | C19 | H34 | 118.9° | 120.0° |
| C19 | C20 | H35 | 118.7° | 120.0° |
| C19 | C18 | C36 | 119.2° | 120.0° |
| C19 | C18 | C17 | 119.5° | 120.0° |
| C18 | C19 | H34 | 118.9° | 120.0° |
| C36 | C18 | C17 | 121.3° | 120.0° |
| C18 | C36 | H31 | 109.5° | 109.4° |
| C18 | C36 | H32 | 109.5° | 109.5° |
| C18 | C36 | H33 | 109.5° | 109.5° |
| C18 | C17 | C16 | 123.7° | 120.0° |
| C18 | C17 | H30 | 118.1° | 120.0° |
| C17 | C16 | C15 | 119.5° | 120.0° |
| C17 | C16 | H29 | 120.2° | 120.0° |
| C16 | C17 | H30 | 118.2° | 120.0° |
| C16 | C15 | C14 | 123.7° | 120.0° |
| C16 | C15 | H28 | 118.2° | 120.0° |
| C15 | C16 | H29 | 120.2° | 120.0° |
| C15 | C14 | C13 | 125.7° | 120.0° |
| C15 | C14 | H27 | 117.2° | 120.0° |
| C14 | C15 | H28 | 118.2° | 120.0° |
| C14 | C13 | C35 | 121.1° | 120.1° |
| C14 | C13 | C12 | 117.7° | 120.0° |
| C13 | C14 | H27 | 117.1° | 120.0° |
| C35 | C13 | C12 | 121.2° | 120.0° |
| C13 | C35 | H24 | 109.5° | 109.5° |
| C13 | C35 | H25 | 109.5° | 109.4° |
| C13 | C35 | H26 | 109.4° | 109.5° |
| C13 | C12 | C11 | 121.7° | 120.0° |
| C13 | C12 | H23 | 119.1° | 120.0° |
| C12 | C11 | C10 | 123.3° | 120.0° |
| C12 | C11 | H22 | 118.3° | 120.0° |
| C11 | C12 | H23 | 119.2° | 120.0° |
| C11 | C10 | C9 | 127.3° | 120.0° |
| C11 | C10 | H21 | 116.4° | 120.0° |
| C10 | C11 | H22 | 118.3° | 120.0° |
| C10 | C9 | C34 | 122.7° | 120.0° |
| C10 | C9 | C8 | 117.5° | 120.0° |
| C9 | C10 | H21 | 116.4° | 120.0° |
| C34 | C9 | C8 | 119.8° | 120.0° |
| C9 | C34 | H18 | 109.5° | 109.4° |
| C9 | C34 | H19 | 109.4° | 109.5° |
| C9 | C34 | H20 | 109.4° | 109.5° |
| C9 | C8 | C7 | 120.3° | 120.0° |
| C9 | C8 | H17 | 119.9° | 120.0° |
| C8 | C7 | C6 | 127.5° | 120.1° |
| C8 | C7 | H16 | 116.3° | 119.9° |
| C7 | C8 | H17 | 119.8° | 120.0° |
| C7 | C6 | C5 | 116.7° | 118.2° |
| C7 | C6 | C1 | 122.1° | 118.1° |
| C6 | C7 | H16 | 116.3° | 120.0° |
| C33 | C5 | C6 | 121.7° | 118.2° |
| C33 | C5 | C4 | 114.1° | 118.1° |
| C5 | C33 | H13 | 109.5° | 109.4° |
| C5 | C33 | H14 | 109.5° | 109.4° |
| C5 | C33 | H15 | 109.5° | 109.5° |
| C5 | C6 | C1 | 121.0° | 123.7° |
| C6 | C5 | C4 | 124.2° | 123.7° |
| C6 | C1 | C31 | 112.5° | 109.3° |
| C6 | C1 | C32 | 109.6° | 109.4° |
| C6 | C1 | C2 | 112.0° | 110.1° |
| C5 | C4 | C3 | 113.9° | 110.1° |
| C5 | C4 | H11 | 108.4° | 109.4° |
| C5 | C4 | H12 | 108.4° | 109.2° |
| C31 | C1 | C32 | 107.8° | 109.3° |
| C31 | C1 | C2 | 105.7° | 109.4° |
| C1 | C31 | H4 | 109.5° | 109.5° |
| C1 | C31 | H5 | 109.4° | 109.5° |
| C1 | C31 | H6 | 109.5° | 109.5° |
| C32 | C1 | C2 | 109.1° | 109.4° |
| C1 | C32 | H1 | 109.5° | 109.5° |
| C1 | C32 | H2 | 109.5° | 109.5° |
| C1 | C32 | H3 | 109.5° | 109.4° |
| C1 | C2 | C3 | 114.1° | 108.5° |
| C1 | C2 | H7 | 108.3° | 109.7° |
| C1 | C2 | H8 | 108.3° | 109.6° |
| C4 | C3 | C2 | 109.9° | 108.5° |
| C4 | C3 | O3 | 108.9° | 109.6° |
| C4 | C3 | H9 | 109.2° | 109.8° |
| C3 | C4 | H11 | 108.4° | 109.4° |
| C3 | C4 | H12 | 108.3° | 109.4° |
| C2 | C3 | O3 | 109.4° | 109.6° |
| C3 | C2 | H7 | 108.3° | 109.7° |
| C3 | C2 | H8 | 108.3° | 109.6° |
| C2 | C3 | H9 | 109.0° | 109.7° |
| O3 | C3 | H9 | 110.5° | 109.6° |
| C3 | O3 | H10 | 109.5° | 114.0° |
| H1 | C32 | H2 | 109.5° | 109.5° |
| H1 | C32 | H3 | 109.5° | 109.5° |
| H2 | C32 | H3 | 109.5° | 109.5° |
| H4 | C31 | H5 | 109.5° | 109.5° |
| H4 | C31 | H6 | 109.5° | 109.5° |
| H5 | C31 | H6 | 109.5° | 109.4° |
| H7 | C2 | H8 | 109.5° | 109.7° |
| H11 | C4 | H12 | 109.5° | 109.4° |
| H13 | C33 | H14 | 109.4° | 109.5° |
| H13 | C33 | H15 | 109.5° | 109.5° |
| H14 | C33 | H15 | 109.5° | 109.4° |
| H18 | C34 | H19 | 109.4° | 109.5° |
| H18 | C34 | H20 | 109.5° | 109.5° |
| H19 | C34 | H20 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.5° | 109.4° |
| H24 | C35 | H26 | 109.5° | 109.5° |
| H25 | C35 | H26 | 109.5° | 109.5° |
| H31 | C36 | H32 | 109.4° | 109.5° |
| H31 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.4° | 109.5° |
| H37 | C37 | H38 | 109.5° | 109.5° |
| H37 | C37 | H39 | 109.5° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H42 | C38 | H43 | 109.5° | 109.4° |
| H42 | C38 | H44 | 109.4° | 109.5° |
| H43 | C38 | H44 | 109.5° | 109.5° |
| H45 | C28 | H46 | 109.4° | 109.5° |
| H47 | C29 | H48 | 109.5° | 109.6° |
| H49 | C40 | H50 | 109.5° | 109.5° |
| H49 | C40 | H51 | 109.5° | 109.5° |
| H50 | C40 | H51 | 109.4° | 109.5° |
| H52 | C39 | H53 | 109.5° | 109.5° |
| H52 | C39 | H54 | 109.5° | 109.5° |
| H53 | C39 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C27 | C28 | C26 | 178.1° | 180.0° |
| O27 | C27 | C28 | C29 | 167.0° | 150.6° |
| O27 | C27 | C26 | C38 | 10.3° | 0.0° |
| O27 | C27 | C26 | C25 | 166.7° | 179.9° |
| O27 | C27 | C28 | H45 | 46.6° | 89.3° |
| O27 | C27 | C28 | H46 | 72.7° | 30.7° |
| C27 | C28 | C29 | H45 | 120.3° | 120.0° |
| C27 | C28 | C29 | H46 | 120.3° | 119.9° |
| C28 | C27 | C26 | C38 | 171.6° | 180.0° |
| C28 | C27 | C26 | C25 | 11.4° | 0.1° |
| C27 | C28 | C29 | C30 | 45.3° | 57.5° |
| C27 | C28 | H45 | H46 | 119.0° | 120.0° |
| C27 | C28 | C29 | H47 | 75.4° | 177.3° |
| C27 | C28 | C29 | H48 | 165.9° | 62.4° |
| C26 | C27 | C28 | C29 | 14.9° | 29.4° |
| C27 | C26 | C38 | C25 | 176.9° | 179.9° |
| C27 | C26 | C25 | C30 | 6.3° | 0.2° |
| C27 | C26 | C25 | C24 | 166.7° | 179.6° |
| C27 | C26 | C38 | H42 | 180.0° | 89.9° |
| C27 | C26 | C38 | H43 | 60.0° | 30.0° |
| C27 | C26 | C38 | H44 | 60.0° | 150.1° |
| C26 | C27 | C28 | H45 | 135.2° | 90.7° |
| C26 | C27 | C28 | H46 | 105.5° | 149.3° |
| C28 | C29 | C30 | H47 | 120.7° | 119.8° |
| C28 | C29 | C30 | H48 | 120.6° | 119.9° |
| C28 | C29 | C30 | C25 | 50.3° | 57.7° |
| C28 | C29 | C30 | C39 | 70.5° | 177.4° |
| C28 | C29 | C30 | C40 | 173.4° | 62.5° |
| C29 | C28 | H45 | H46 | 119.0° | 120.1° |
| C28 | C29 | H47 | H48 | 118.0° | 120.3° |
| C38 | C26 | C25 | C30 | 176.9° | 179.8° |
| C38 | C26 | C25 | C24 | 10.1° | 0.3° |
| C26 | C38 | H42 | H43 | 120.0° | 119.9° |
| C26 | C38 | H42 | H44 | 120.0° | 120.0° |
| C26 | C38 | H43 | H44 | 120.0° | 120.0° |
| C26 | C25 | C30 | C29 | 24.1° | 29.6° |
| C26 | C25 | C30 | C24 | 173.4° | 179.8° |
| C26 | C25 | C30 | C39 | 97.0° | 149.2° |
| C26 | C25 | C30 | C40 | 143.9° | 90.7° |
| C26 | C25 | C24 | C23 | 102.8° | 56.3° |
| C26 | C25 | C24 | H41 | 77.2° | 123.8° |
| C25 | C26 | C38 | H42 | 3.1° | 90.0° |
| C25 | C26 | C38 | H43 | 116.9° | 150.1° |
| C25 | C26 | C38 | H44 | 123.1° | 30.0° |
| C29 | C30 | C25 | C39 | 121.1° | 119.6° |
| C29 | C30 | C25 | C40 | 119.8° | 120.3° |
| C29 | C30 | C25 | C24 | 162.5° | 150.2° |
| C29 | C30 | C39 | C40 | 115.5° | 120.2° |
| C30 | C29 | C28 | H45 | 165.6° | 62.5° |
| C30 | C29 | C28 | H46 | 75.1° | 177.4° |
| C30 | C29 | H47 | H48 | 118.0° | 120.3° |
| C29 | C30 | C40 | H49 | 180.0° | 60.0° |
| C29 | C30 | C40 | H50 | 60.0° | 60.0° |
| C29 | C30 | C40 | H51 | 60.0° | 180.0° |
| C29 | C30 | C39 | H52 | 180.0° | 173.4° |
| C29 | C30 | C39 | H53 | 60.0° | 53.4° |
| C29 | C30 | C39 | H54 | 60.0° | 66.6° |
| C25 | C30 | C39 | C40 | 122.1° | 120.1° |
| C30 | C25 | C24 | C23 | 84.0° | 123.6° |
| C30 | C25 | C24 | H41 | 96.0° | 56.4° |
| C25 | C30 | C29 | H47 | 70.4° | 177.5° |
| C25 | C30 | C29 | H48 | 170.9° | 62.2° |
| C25 | C30 | C40 | H49 | 57.3° | 60.0° |
| C25 | C30 | C40 | H50 | 62.7° | 180.0° |
| C25 | C30 | C40 | H51 | 177.4° | 60.0° |
| C25 | C30 | C39 | H52 | 57.6° | 67.0° |
| C25 | C30 | C39 | H53 | 177.6° | 173.1° |
| C25 | C30 | C39 | H54 | 62.4° | 53.1° |
| C24 | C25 | C30 | C39 | 76.4° | 30.6° |
| C24 | C25 | C30 | C40 | 42.7° | 89.5° |
| C25 | C24 | C23 | H41 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 175.0° | 177.3° |
| C25 | C24 | C23 | H40 | 5.0° | 2.7° |
| C39 | C30 | C29 | H47 | 168.9° | 62.8° |
| C39 | C30 | C29 | H48 | 50.2° | 57.5° |
| C39 | C30 | C40 | H49 | 62.6° | 179.9° |
| C39 | C30 | C40 | H50 | 177.4° | 59.9° |
| C39 | C30 | C40 | H51 | 57.5° | 60.0° |
| C30 | C39 | H52 | H53 | 120.0° | 119.9° |
| C30 | C39 | H52 | H54 | 120.0° | 120.0° |
| C30 | C39 | H53 | H54 | 120.0° | 120.0° |
| C40 | C30 | C29 | H47 | 52.7° | 57.3° |
| C40 | C30 | C29 | H48 | 66.0° | 177.6° |
| C30 | C40 | H49 | H50 | 120.0° | 120.0° |
| C30 | C40 | H49 | H51 | 120.0° | 120.0° |
| C30 | C40 | H50 | H51 | 120.0° | 119.9° |
| C40 | C30 | C39 | H52 | 64.5° | 53.1° |
| C40 | C30 | C39 | H53 | 55.5° | 66.8° |
| C40 | C30 | C39 | H54 | 175.5° | 173.2° |
| C24 | C23 | C22 | H40 | 180.0° | 180.0° |
| C24 | C23 | C22 | C37 | 26.1° | 0.0° |
| C24 | C23 | C22 | C21 | 150.2° | 180.0° |
| C23 | C22 | C37 | C21 | 176.1° | 180.0° |
| C23 | C22 | C21 | C20 | 176.0° | 180.0° |
| C23 | C22 | C21 | H36 | 4.0° | 0.0° |
| C23 | C22 | C37 | H37 | 180.0° | 90.0° |
| C23 | C22 | C37 | H38 | 60.0° | 30.0° |
| C23 | C22 | C37 | H39 | 60.0° | 150.0° |
| C22 | C23 | C24 | H41 | 5.0° | 2.7° |
| C37 | C22 | C21 | C20 | 0.2° | 0.1° |
| C37 | C22 | C21 | H36 | 179.8° | 180.0° |
| C22 | C37 | H37 | H38 | 120.0° | 120.1° |
| C22 | C37 | H37 | H39 | 120.0° | 119.9° |
| C22 | C37 | H38 | H39 | 120.0° | 120.0° |
| C37 | C22 | C23 | H40 | 153.9° | 180.0° |
| C22 | C21 | C20 | H36 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 163.8° | 180.0° |
| C22 | C21 | C20 | H35 | 16.2° | 0.1° |
| C21 | C22 | C37 | H37 | 3.9° | 90.0° |
| C21 | C22 | C37 | H38 | 116.1° | 150.0° |
| C21 | C22 | C37 | H39 | 123.9° | 30.0° |
| C21 | C22 | C23 | H40 | 29.8° | 0.0° |
| C21 | C20 | C19 | H35 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 177.7° | 179.9° |
| C21 | C20 | C19 | H34 | 2.3° | 0.0° |
| C20 | C19 | C18 | H34 | 180.0° | 180.0° |
| C20 | C19 | C18 | C36 | 5.5° | 0.0° |
| C20 | C19 | C18 | C17 | 175.9° | 180.0° |
| C19 | C20 | C21 | H36 | 16.2° | 0.1° |
| C19 | C18 | C36 | C17 | 178.6° | 180.0° |
| C19 | C18 | C17 | C16 | 175.3° | 179.9° |
| C19 | C18 | C17 | H30 | 4.7° | 0.0° |
| C19 | C18 | C36 | H31 | 180.0° | 90.0° |
| C19 | C18 | C36 | H32 | 60.0° | 30.0° |
| C19 | C18 | C36 | H33 | 60.0° | 150.0° |
| C18 | C19 | C20 | H35 | 2.3° | 0.0° |
| C36 | C18 | C17 | C16 | 3.2° | 0.1° |
| C36 | C18 | C17 | H30 | 176.8° | 180.0° |
| C18 | C36 | H31 | H32 | 120.0° | 120.0° |
| C18 | C36 | H31 | H33 | 120.0° | 120.0° |
| C18 | C36 | H32 | H33 | 120.0° | 120.0° |
| C36 | C18 | C19 | H34 | 174.5° | 180.0° |
| C18 | C17 | C16 | H30 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 153.3° | 180.0° |
| C18 | C17 | C16 | H29 | 26.7° | 0.1° |
| C17 | C18 | C36 | H31 | 1.4° | 90.0° |
| C17 | C18 | C36 | H32 | 118.6° | 150.0° |
| C17 | C18 | C36 | H33 | 121.5° | 30.0° |
| C17 | C18 | C19 | H34 | 4.1° | 0.0° |
| C17 | C16 | C15 | H29 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 175.9° | 180.0° |
| C17 | C16 | C15 | H28 | 4.1° | 0.1° |
| C16 | C15 | C14 | H28 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 152.7° | 180.0° |
| C16 | C15 | C14 | H27 | 27.3° | 0.1° |
| C15 | C16 | C17 | H30 | 26.7° | 0.1° |
| C15 | C14 | C13 | H27 | 180.0° | 179.9° |
| C15 | C14 | C13 | C35 | 2.6° | 0.1° |
| C15 | C14 | C13 | C12 | 174.6° | 180.0° |
| C14 | C15 | C16 | H29 | 4.1° | 0.0° |
| C14 | C13 | C35 | C12 | 177.2° | 180.0° |
| C14 | C13 | C12 | C11 | 139.3° | 180.0° |
| C14 | C13 | C12 | H23 | 40.7° | 0.0° |
| C14 | C13 | C35 | H24 | 180.0° | 90.0° |
| C14 | C13 | C35 | H25 | 60.0° | 29.9° |
| C14 | C13 | C35 | H26 | 60.0° | 149.9° |
| C13 | C14 | C15 | H28 | 27.3° | 0.1° |
| C35 | C13 | C12 | C11 | 38.0° | 0.0° |
| C35 | C13 | C12 | H23 | 142.0° | 180.0° |
| C13 | C35 | H24 | H25 | 120.0° | 120.0° |
| C13 | C35 | H24 | H26 | 120.0° | 120.1° |
| C13 | C35 | H25 | H26 | 120.0° | 120.0° |
| C35 | C13 | C14 | H27 | 177.4° | 180.0° |
| C13 | C12 | C11 | H23 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 176.5° | 180.0° |
| C13 | C12 | C11 | H22 | 3.6° | 0.0° |
| C12 | C13 | C35 | H24 | 2.8° | 90.0° |
| C12 | C13 | C35 | H25 | 122.8° | 150.0° |
| C12 | C13 | C35 | H26 | 117.1° | 30.0° |
| C12 | C13 | C14 | H27 | 5.4° | 0.1° |
| C12 | C11 | C10 | H22 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 152.8° | 180.0° |
| C12 | C11 | C10 | H21 | 27.2° | 0.1° |
| C11 | C10 | C9 | H21 | 180.0° | 179.9° |
| C11 | C10 | C9 | C34 | 3.9° | 0.0° |
| C11 | C10 | C9 | C8 | 176.5° | 180.0° |
| C10 | C11 | C12 | H23 | 3.5° | 0.0° |
| C10 | C9 | C34 | C8 | 179.6° | 180.0° |
| C10 | C9 | C8 | C7 | 132.9° | 180.0° |
| C10 | C9 | C8 | H17 | 47.1° | 0.0° |
| C10 | C9 | C34 | H18 | 180.0° | 90.0° |
| C10 | C9 | C34 | H19 | 60.0° | 30.0° |
| C10 | C9 | C34 | H20 | 60.0° | 150.0° |
| C9 | C10 | C11 | H22 | 27.1° | 0.1° |
| C34 | C9 | C8 | C7 | 47.5° | 0.0° |
| C34 | C9 | C8 | H17 | 132.5° | 180.0° |
| C9 | C34 | H18 | H19 | 120.0° | 120.0° |
| C9 | C34 | H18 | H20 | 120.0° | 120.0° |
| C9 | C34 | H19 | H20 | 120.0° | 120.0° |
| C34 | C9 | C10 | H21 | 176.1° | 179.9° |
| C9 | C8 | C7 | H17 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 177.9° | 174.5° |
| C9 | C8 | C7 | H16 | 2.1° | 5.4° |
| C8 | C9 | C34 | H18 | 0.4° | 90.0° |
| C8 | C9 | C34 | H19 | 119.6° | 150.0° |
| C8 | C9 | C34 | H20 | 120.4° | 30.0° |
| C8 | C9 | C10 | H21 | 3.5° | 0.1° |
| C8 | C7 | C6 | H16 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 105.5° | 57.6° |
| C8 | C7 | C6 | C1 | 79.1° | 122.3° |
| C7 | C6 | C5 | C33 | 4.0° | 0.4° |
| C7 | C6 | C5 | C1 | 175.5° | 180.0° |
| C7 | C6 | C5 | C4 | 176.4° | 179.5° |
| C7 | C6 | C1 | C31 | 51.0° | 42.6° |
| C7 | C6 | C1 | C32 | 68.9° | 77.0° |
| C7 | C6 | C1 | C2 | 169.8° | 162.8° |
| C6 | C7 | C8 | H17 | 2.0° | 5.5° |
| C33 | C5 | C6 | C4 | 179.7° | 180.0° |
| C33 | C5 | C6 | C1 | 179.5° | 179.6° |
| C33 | C5 | C4 | C3 | 165.2° | 162.8° |
| C33 | C5 | C4 | H11 | 44.5° | 76.9° |
| C33 | C5 | C4 | H12 | 74.2° | 42.7° |
| C5 | C33 | H13 | H14 | 120.0° | 120.0° |
| C5 | C33 | H13 | H15 | 120.0° | 120.0° |
| C5 | C33 | H14 | H15 | 120.0° | 120.0° |
| C5 | C6 | C1 | C31 | 133.7° | 137.3° |
| C5 | C6 | C1 | C32 | 106.3° | 103.1° |
| C5 | C6 | C1 | C2 | 14.9° | 17.2° |
| C6 | C5 | C4 | C3 | 15.1° | 17.2° |
| C6 | C5 | C4 | H11 | 135.8° | 103.0° |
| C6 | C5 | C4 | H12 | 105.5° | 137.3° |
| C6 | C5 | C33 | H13 | 180.0° | 176.8° |
| C6 | C5 | C33 | H14 | 60.0° | 56.8° |
| C6 | C5 | C33 | H15 | 60.0° | 63.2° |
| C5 | C6 | C7 | H16 | 74.6° | 122.3° |
| C1 | C6 | C5 | C4 | 0.9° | 0.4° |
| C6 | C1 | C31 | C32 | 121.0° | 119.7° |
| C6 | C1 | C31 | C2 | 122.4° | 120.6° |
| C6 | C1 | C32 | C2 | 122.9° | 120.7° |
| C6 | C1 | C2 | C3 | 44.1° | 49.9° |
| C6 | C1 | C32 | H1 | 180.0° | 179.3° |
| C6 | C1 | C32 | H2 | 60.0° | 59.3° |
| C6 | C1 | C32 | H3 | 60.0° | 60.7° |
| C6 | C1 | C31 | H4 | 180.0° | 175.4° |
| C6 | C1 | C31 | H5 | 60.0° | 55.3° |
| C6 | C1 | C31 | H6 | 60.0° | 64.6° |
| C6 | C1 | C2 | H7 | 76.6° | 69.9° |
| C6 | C1 | C2 | H8 | 164.8° | 169.6° |
| C1 | C6 | C7 | H16 | 100.9° | 57.8° |
| C5 | C4 | C3 | H11 | 120.7° | 120.2° |
| C5 | C4 | C3 | H12 | 120.7° | 120.0° |
| C5 | C4 | C3 | C2 | 42.1° | 49.9° |
| C5 | C4 | C3 | O3 | 161.9° | 169.6° |
| C5 | C4 | C3 | H9 | 77.5° | 70.0° |
| C5 | C4 | H11 | H12 | 118.0° | 119.6° |
| C4 | C5 | C33 | H13 | 0.3° | 3.2° |
| C4 | C5 | C33 | H14 | 120.3° | 123.2° |
| C4 | C5 | C33 | H15 | 119.7° | 116.8° |
| C31 | C1 | C32 | C2 | 114.3° | 119.7° |
| C31 | C1 | C2 | C3 | 166.9° | 170.0° |
| C31 | C1 | C32 | H1 | 57.2° | 59.7° |
| C31 | C1 | C32 | H2 | 62.7° | 60.3° |
| C31 | C1 | C32 | H3 | 177.2° | 179.7° |
| C1 | C31 | H4 | H5 | 120.0° | 120.1° |
| C1 | C31 | H4 | H6 | 120.0° | 120.0° |
| C1 | C31 | H5 | H6 | 120.0° | 120.0° |
| C31 | C1 | C2 | H7 | 46.2° | 50.2° |
| C31 | C1 | C2 | H8 | 72.4° | 70.3° |
| C32 | C1 | C2 | C3 | 77.4° | 70.3° |
| C1 | C32 | H1 | H2 | 120.0° | 120.0° |
| C1 | C32 | H1 | H3 | 120.0° | 120.0° |
| C1 | C32 | H2 | H3 | 120.0° | 120.0° |
| C32 | C1 | C31 | H4 | 59.0° | 64.9° |
| C32 | C1 | C31 | H5 | 179.0° | 175.0° |
| C32 | C1 | C31 | H6 | 61.0° | 55.1° |
| C32 | C1 | C2 | H7 | 161.9° | 169.9° |
| C32 | C1 | C2 | H8 | 43.3° | 49.4° |
| C1 | C2 | C3 | C4 | 58.4° | 68.3° |
| C1 | C2 | C3 | H7 | 120.7° | 119.8° |
| C1 | C2 | C3 | H8 | 120.7° | 119.7° |
| C1 | C2 | C3 | O3 | 177.9° | 172.1° |
| C2 | C1 | C32 | H1 | 57.1° | 60.0° |
| C2 | C1 | C32 | H2 | 177.0° | 180.0° |
| C2 | C1 | C32 | H3 | 62.9° | 60.0° |
| C2 | C1 | C31 | H4 | 57.5° | 54.8° |
| C2 | C1 | C31 | H5 | 62.5° | 65.3° |
| C2 | C1 | C31 | H6 | 177.6° | 174.8° |
| C1 | C2 | H7 | H8 | 117.9° | 120.4° |
| C1 | C2 | C3 | H9 | 61.2° | 51.7° |
| C4 | C3 | C2 | O3 | 119.5° | 119.6° |
| C4 | C3 | C2 | H9 | 119.7° | 120.0° |
| C4 | C3 | O3 | H9 | 119.9° | 120.6° |
| C4 | C3 | C2 | H7 | 62.2° | 51.5° |
| C4 | C3 | C2 | H8 | 179.1° | 172.0° |
| C4 | C3 | O3 | H10 | 180.0° | 61.0° |
| C3 | C4 | H11 | H12 | 118.0° | 119.8° |
| C2 | C3 | O3 | H9 | 120.0° | 120.4° |
| C3 | C2 | H7 | H8 | 117.9° | 120.5° |
| C2 | C3 | O3 | H10 | 59.8° | 180.0° |
| C2 | C3 | C4 | H11 | 162.8° | 70.3° |
| C2 | C3 | C4 | H12 | 78.6° | 169.9° |
| O3 | C3 | C2 | H7 | 57.2° | 68.2° |
| O3 | C3 | C2 | H8 | 61.4° | 52.4° |
| O3 | C3 | C4 | H11 | 77.5° | 49.4° |
| O3 | C3 | C4 | H12 | 41.2° | 70.4° |
| H1 | C32 | H2 | H3 | 120.0° | 120.0° |
| H4 | C31 | H5 | H6 | 120.0° | 120.0° |
| H7 | C2 | C3 | H9 | 178.1° | 171.5° |
| H8 | C2 | C3 | H9 | 59.5° | 68.0° |
| H9 | C3 | O3 | H10 | 60.2° | 59.6° |
| H9 | C3 | C4 | H11 | 43.2° | 169.8° |
| H9 | C3 | C4 | H12 | 161.9° | 50.0° |
| H13 | C33 | H14 | H15 | 120.0° | 120.0° |
| H16 | C7 | C8 | H17 | 177.9° | 174.6° |
| H18 | C34 | H19 | H20 | 120.0° | 120.0° |
| H21 | C10 | C11 | H22 | 152.9° | 180.0° |
| H22 | C11 | C12 | H23 | 176.4° | 180.0° |
| H24 | C35 | H25 | H26 | 120.0° | 120.0° |
| H27 | C14 | C15 | H28 | 152.7° | 180.0° |
| H28 | C15 | C16 | H29 | 175.9° | 180.0° |
| H29 | C16 | C17 | H30 | 153.3° | 180.0° |
| H31 | C36 | H32 | H33 | 120.0° | 120.0° |
| H34 | C19 | C20 | H35 | 177.7° | 180.0° |
| H35 | C20 | C21 | H36 | 163.8° | 180.0° |
| H37 | C37 | H38 | H39 | 120.0° | 120.0° |
| H40 | C23 | C24 | H41 | 175.0° | 177.4° |
| H42 | C38 | H43 | H44 | 120.0° | 120.0° |
| H45 | C28 | C29 | H47 | 44.9° | 57.3° |
| H45 | C28 | C29 | H48 | 73.8° | 177.6° |
| H46 | C28 | C29 | H47 | 164.3° | 62.8° |
| H46 | C28 | C29 | H48 | 45.6° | 57.6° |
| H49 | C40 | H50 | H51 | 120.0° | 120.0° |
| H52 | C39 | H53 | H54 | 120.0° | 120.1° |
