ECK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | O | sing | 1.43Å | 1.44Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.55Å | 1.54Å | |
| C14 | C13 | sing | 1.55Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.50Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C13 | C6 | sing | 1.53Å | 1.54Å | |
| C13 | C30 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.52Å | 1.54Å | |
| C16 | C30 | sing | 1.55Å | 1.54Å | |
| C19 | C20 | doub | 1.30Å | 1.33Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C17 | C27 | sing | 1.54Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.52Å | 1.54Å | |
| C20 | C21 | sing | 1.52Å | 1.51Å | |
| C20 | C25 | sing | 1.50Å | 1.52Å | |
| C27 | C25 | sing | 1.52Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C29 | C28 | sing | 1.54Å | 1.53Å | |
| C22 | O1 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| O | H22 | sing | 0.97Å | 0.95Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.08Å | 1.08Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C12 | 110.6° | 109.5° |
| C11 | C10 | C9 | 111.1° | 109.5° |
| C11 | C10 | O | 107.6° | 109.5° |
| C10 | C11 | H23 | 109.5° | 109.5° |
| C10 | C11 | H24 | 109.5° | 109.5° |
| C10 | C11 | H25 | 109.5° | 109.4° |
| C12 | C10 | C9 | 111.4° | 109.4° |
| C12 | C10 | O | 107.6° | 109.5° |
| C10 | C12 | H26 | 109.5° | 109.5° |
| C10 | C12 | H27 | 109.5° | 109.5° |
| C10 | C12 | H28 | 109.5° | 109.4° |
| C9 | C10 | O | 108.4° | 109.5° |
| C10 | C9 | C8 | 116.8° | 109.4° |
| C10 | C9 | H5 | 107.6° | 109.5° |
| C10 | C9 | H6 | 107.6° | 109.5° |
| C10 | O | H22 | 109.5° | 114.0° |
| C9 | C8 | C7 | 112.7° | 109.4° |
| C9 | C8 | H3 | 108.7° | 109.5° |
| C9 | C8 | H4 | 108.7° | 109.5° |
| C8 | C9 | H5 | 107.6° | 109.5° |
| C8 | C9 | H6 | 107.6° | 109.5° |
| C15 | C14 | C13 | 106.6° | 106.4° |
| C14 | C15 | C16 | 103.5° | 102.9° |
| C15 | C14 | H30 | 110.2° | 110.1° |
| C15 | C14 | H31 | 110.2° | 110.1° |
| C14 | C15 | H32 | 110.9° | 110.7° |
| C14 | C15 | H33 | 111.0° | 110.7° |
| C14 | C13 | C6 | 112.2° | 110.3° |
| C14 | C13 | C30 | 104.2° | 105.3° |
| C14 | C13 | H29 | 106.7° | 110.4° |
| C13 | C14 | H30 | 110.2° | 110.0° |
| C13 | C14 | H31 | 110.2° | 110.1° |
| C15 | C16 | C17 | 120.1° | 115.8° |
| C15 | C16 | C30 | 103.4° | 101.7° |
| C16 | C15 | H32 | 111.0° | 110.7° |
| C16 | C15 | H33 | 110.9° | 110.7° |
| C15 | C16 | H34 | 105.8° | 110.3° |
| C8 | C7 | C6 | 115.2° | 109.5° |
| C8 | C7 | H1 | 108.0° | 109.5° |
| C8 | C7 | H2 | 108.0° | 109.5° |
| C7 | C8 | H3 | 108.7° | 109.5° |
| C7 | C8 | H4 | 108.7° | 109.5° |
| C7 | C6 | C13 | 115.0° | 109.5° |
| C7 | C6 | C5 | 110.8° | 109.5° |
| C6 | C7 | H1 | 108.0° | 109.5° |
| C6 | C7 | H2 | 108.0° | 109.4° |
| C7 | C6 | H11 | 105.3° | 109.5° |
| C19 | C18 | C17 | 114.0° | 109.2° |
| C18 | C19 | C20 | 125.4° | 123.0° |
| C19 | C18 | H36 | 108.3° | 109.5° |
| C19 | C18 | H37 | 108.3° | 109.5° |
| C18 | C19 | H38 | 117.3° | 118.5° |
| C18 | C17 | C16 | 110.1° | 109.5° |
| C18 | C17 | C27 | 110.3° | 108.2° |
| C18 | C17 | H35 | 109.4° | 111.0° |
| C17 | C18 | H36 | 108.3° | 109.5° |
| C17 | C18 | H37 | 108.3° | 109.5° |
| C6 | C13 | C30 | 119.5° | 110.3° |
| C13 | C6 | C5 | 114.3° | 109.5° |
| C13 | C6 | H11 | 105.2° | 109.5° |
| C6 | C13 | H29 | 106.8° | 110.3° |
| C13 | C30 | C16 | 99.5° | 103.3° |
| C13 | C30 | C31 | 111.4° | 109.9° |
| C13 | C30 | C29 | 116.3° | 116.4° |
| C30 | C13 | H29 | 106.7° | 110.3° |
| C17 | C16 | C30 | 114.8° | 107.3° |
| C16 | C17 | C27 | 108.4° | 107.6° |
| C17 | C16 | H34 | 105.8° | 110.3° |
| C16 | C17 | H35 | 109.3° | 110.2° |
| C16 | C30 | C31 | 111.7° | 109.9° |
| C16 | C30 | C29 | 106.9° | 107.1° |
| C30 | C16 | H34 | 105.7° | 111.1° |
| C19 | C20 | C21 | 120.5° | 118.2° |
| C19 | C20 | C25 | 122.8° | 123.9° |
| C20 | C19 | H38 | 117.3° | 118.5° |
| C6 | C5 | C4 | 116.9° | 109.5° |
| C6 | C5 | H9 | 107.6° | 109.5° |
| C6 | C5 | H10 | 107.6° | 109.4° |
| C5 | C6 | H11 | 105.3° | 109.5° |
| C17 | C27 | C25 | 113.7° | 110.5° |
| C17 | C27 | C28 | 111.8° | 111.8° |
| C27 | C17 | H35 | 109.3° | 110.2° |
| C17 | C27 | H49 | 106.0° | 108.4° |
| C5 | C4 | C3 | 112.4° | 109.5° |
| C4 | C5 | H9 | 107.6° | 109.5° |
| C4 | C5 | H10 | 107.6° | 109.5° |
| C5 | C4 | H12 | 108.8° | 109.5° |
| C5 | C4 | H13 | 108.8° | 109.5° |
| C4 | C3 | C1 | 117.2° | 109.5° |
| C3 | C4 | H12 | 108.7° | 109.5° |
| C3 | C4 | H13 | 108.7° | 109.5° |
| C4 | C3 | H14 | 107.5° | 109.5° |
| C4 | C3 | H15 | 107.5° | 109.5° |
| C31 | C30 | C29 | 110.4° | 110.0° |
| C30 | C31 | H54 | 109.5° | 109.5° |
| C30 | C31 | H55 | 109.5° | 109.5° |
| C30 | C31 | H56 | 109.4° | 109.5° |
| C30 | C29 | C28 | 112.4° | 107.1° |
| C30 | C29 | H52 | 108.7° | 109.9° |
| C30 | C29 | H53 | 108.7° | 110.0° |
| C21 | C20 | C25 | 116.7° | 117.9° |
| C20 | C21 | C22 | 111.8° | 108.4° |
| C20 | C21 | H39 | 108.9° | 109.7° |
| C20 | C21 | H40 | 108.9° | 109.6° |
| C20 | C25 | C27 | 109.6° | 113.4° |
| C20 | C25 | C24 | 109.7° | 109.4° |
| C20 | C25 | C26 | 108.2° | 108.1° |
| C25 | C27 | C28 | 112.8° | 109.8° |
| C27 | C25 | C24 | 108.1° | 110.1° |
| C27 | C25 | C26 | 111.7° | 107.6° |
| C25 | C27 | H49 | 105.8° | 108.3° |
| C27 | C28 | C29 | 112.7° | 111.8° |
| C28 | C27 | H49 | 106.1° | 107.9° |
| C27 | C28 | H50 | 108.7° | 109.1° |
| C27 | C28 | H51 | 108.6° | 109.0° |
| C21 | C22 | O1 | 110.4° | 109.5° |
| C21 | C22 | C23 | 109.9° | 109.5° |
| C22 | C21 | H39 | 108.9° | 109.7° |
| C22 | C21 | H40 | 108.9° | 109.7° |
| C21 | C22 | H41 | 108.1° | 109.4° |
| C3 | C1 | C | 111.4° | 109.5° |
| C3 | C1 | C2 | 111.7° | 109.5° |
| C3 | C1 | H8 | 107.6° | 109.4° |
| C1 | C3 | H14 | 107.5° | 109.5° |
| C1 | C3 | H15 | 107.5° | 109.5° |
| C | C1 | C2 | 110.5° | 109.5° |
| C | C1 | H8 | 107.7° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C | H21 | 109.4° | 109.5° |
| C2 | C1 | H8 | 107.8° | 109.5° |
| C1 | C2 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 109.4° | 109.5° |
| C1 | C2 | H18 | 109.4° | 109.5° |
| C29 | C28 | H50 | 108.6° | 109.0° |
| C29 | C28 | H51 | 108.7° | 108.9° |
| C28 | C29 | H52 | 108.7° | 109.9° |
| C28 | C29 | H53 | 108.7° | 109.9° |
| O1 | C22 | C23 | 110.8° | 109.5° |
| C22 | O1 | H7 | 109.5° | 114.0° |
| O1 | C22 | H41 | 109.3° | 109.4° |
| C22 | C23 | C24 | 110.4° | 109.7° |
| C23 | C22 | H41 | 108.2° | 109.5° |
| C22 | C23 | H42 | 109.2° | 109.5° |
| C22 | C23 | H43 | 109.2° | 109.4° |
| C24 | C25 | C26 | 109.6° | 108.1° |
| C25 | C24 | C23 | 115.9° | 109.4° |
| C25 | C24 | H44 | 107.8° | 109.5° |
| C25 | C24 | H45 | 107.8° | 109.5° |
| C25 | C26 | H46 | 109.5° | 109.5° |
| C25 | C26 | H47 | 109.5° | 109.5° |
| C25 | C26 | H48 | 109.5° | 109.5° |
| C24 | C23 | H42 | 109.2° | 109.4° |
| C24 | C23 | H43 | 109.2° | 109.3° |
| C23 | C24 | H44 | 107.8° | 109.5° |
| C23 | C24 | H45 | 107.8° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.4° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.4° | 109.4° |
| H14 | C3 | H15 | 109.5° | 109.4° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H16 | C2 | H18 | 109.5° | 109.4° |
| H17 | C2 | H18 | 109.5° | 109.4° |
| H19 | C | H20 | 109.4° | 109.4° |
| H19 | C | H21 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H23 | C11 | H25 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.4° | 109.5° |
| H26 | C12 | H27 | 109.4° | 109.5° |
| H26 | C12 | H28 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.4° |
| H30 | C14 | H31 | 109.5° | 110.2° |
| H32 | C15 | H33 | 109.5° | 110.8° |
| H36 | C18 | H37 | 109.5° | 109.5° |
| H39 | C21 | H40 | 109.5° | 109.7° |
| H42 | C23 | H43 | 109.5° | 109.4° |
| H44 | C24 | H45 | 109.5° | 109.4° |
| H46 | C26 | H47 | 109.4° | 109.4° |
| H46 | C26 | H48 | 109.5° | 109.5° |
| H47 | C26 | H48 | 109.4° | 109.4° |
| H50 | C28 | H51 | 109.5° | 109.0° |
| H52 | C29 | H53 | 109.5° | 109.9° |
| H54 | C31 | H55 | 109.5° | 109.5° |
| H54 | C31 | H56 | 109.5° | 109.4° |
| H55 | C31 | H56 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C12 | C9 | 124.1° | 120.0° |
| C11 | C10 | C12 | O | 117.3° | 120.0° |
| C11 | C10 | C9 | O | 118.0° | 120.0° |
| C11 | C10 | C9 | C8 | 178.7° | 60.0° |
| C11 | C10 | C9 | H5 | 60.2° | 60.0° |
| C11 | C10 | C9 | H6 | 57.7° | 180.0° |
| C11 | C10 | O | H22 | 180.0° | 180.0° |
| C10 | C11 | H23 | H24 | 120.0° | 120.0° |
| C10 | C11 | H23 | H25 | 120.0° | 120.0° |
| C10 | C11 | H24 | H25 | 120.0° | 120.0° |
| C11 | C10 | C12 | H26 | 180.0° | 180.0° |
| C11 | C10 | C12 | H27 | 60.0° | 59.9° |
| C11 | C10 | C12 | H28 | 60.0° | 60.0° |
| C12 | C10 | C9 | O | 118.1° | 120.0° |
| C12 | C10 | C9 | C8 | 57.5° | 179.9° |
| C12 | C10 | C9 | H5 | 63.6° | 60.0° |
| C12 | C10 | C9 | H6 | 178.5° | 60.0° |
| C12 | C10 | O | H22 | 60.8° | 60.0° |
| C12 | C10 | C11 | H23 | 180.0° | 60.0° |
| C12 | C10 | C11 | H24 | 60.0° | 60.0° |
| C12 | C10 | C11 | H25 | 60.0° | 180.0° |
| C10 | C12 | H26 | H27 | 120.0° | 120.1° |
| C10 | C12 | H26 | H28 | 120.0° | 120.0° |
| C10 | C12 | H27 | H28 | 120.0° | 119.9° |
| C10 | C9 | C8 | H5 | 121.1° | 120.0° |
| C10 | C9 | C8 | H6 | 121.1° | 120.0° |
| C10 | C9 | C8 | C7 | 146.9° | 180.0° |
| C10 | C9 | C8 | H3 | 92.6° | 60.0° |
| C10 | C9 | C8 | H4 | 26.4° | 60.0° |
| C10 | C9 | H5 | H6 | 116.7° | 120.0° |
| C9 | C10 | O | H22 | 59.7° | 60.0° |
| C9 | C10 | C11 | H23 | 55.7° | 60.0° |
| C9 | C10 | C11 | H24 | 64.3° | 180.0° |
| C9 | C10 | C11 | H25 | 175.8° | 60.0° |
| C9 | C10 | C12 | H26 | 55.9° | 60.0° |
| C9 | C10 | C12 | H27 | 175.9° | 179.9° |
| C9 | C10 | C12 | H28 | 64.1° | 60.1° |
| O | C10 | C9 | C8 | 60.7° | 60.0° |
| O | C10 | C9 | H5 | 178.3° | 180.0° |
| O | C10 | C9 | H6 | 60.4° | 60.0° |
| O | C10 | C11 | H23 | 62.8° | 180.0° |
| O | C10 | C11 | H24 | 177.2° | 60.0° |
| O | C10 | C11 | H25 | 57.3° | 60.0° |
| O | C10 | C12 | H26 | 62.7° | 60.0° |
| O | C10 | C12 | H27 | 57.3° | 60.1° |
| O | C10 | C12 | H28 | 177.3° | 180.0° |
| C9 | C8 | C7 | H3 | 120.5° | 120.0° |
| C9 | C8 | C7 | H4 | 120.5° | 120.0° |
| C9 | C8 | C7 | C6 | 179.7° | 180.0° |
| C9 | C8 | C7 | H1 | 58.8° | 60.0° |
| C9 | C8 | C7 | H2 | 59.5° | 60.0° |
| C9 | C8 | H3 | H4 | 118.5° | 120.0° |
| C8 | C9 | H5 | H6 | 116.7° | 120.0° |
| C15 | C14 | C13 | H30 | 119.6° | 119.2° |
| C15 | C14 | C13 | H31 | 119.5° | 119.3° |
| C14 | C15 | C16 | H32 | 119.0° | 118.4° |
| C14 | C15 | C16 | H33 | 119.0° | 118.3° |
| C15 | C14 | C13 | C6 | 148.9° | 122.4° |
| C15 | C14 | C13 | C30 | 18.2° | 3.5° |
| C14 | C15 | C16 | C17 | 166.5° | 157.5° |
| C14 | C15 | C16 | C30 | 36.9° | 41.5° |
| C15 | C14 | C13 | H29 | 94.5° | 115.5° |
| C15 | C14 | H30 | H31 | 121.3° | 121.6° |
| C14 | C15 | H32 | H33 | 122.8° | 123.2° |
| C14 | C15 | C16 | H34 | 74.1° | 76.5° |
| C13 | C14 | C15 | C16 | 11.3° | 23.9° |
| C14 | C13 | C6 | C7 | 35.9° | 33.0° |
| C14 | C13 | C6 | C30 | 122.4° | 115.9° |
| C14 | C13 | C6 | H29 | 116.6° | 122.1° |
| C14 | C13 | C30 | H29 | 112.7° | 119.1° |
| C14 | C13 | C30 | C16 | 39.9° | 29.2° |
| C14 | C13 | C6 | C5 | 165.6° | 87.0° |
| C14 | C13 | C30 | C31 | 78.0° | 87.9° |
| C14 | C13 | C30 | C29 | 154.2° | 146.2° |
| C14 | C13 | C6 | H11 | 79.4° | 153.1° |
| C13 | C14 | H30 | H31 | 121.3° | 121.5° |
| C13 | C14 | C15 | H32 | 130.3° | 142.3° |
| C13 | C14 | C15 | H33 | 107.8° | 94.5° |
| C15 | C16 | C17 | C18 | 57.1° | 65.9° |
| C15 | C16 | C30 | C13 | 47.6° | 44.3° |
| C15 | C16 | C17 | C30 | 124.3° | 112.7° |
| C15 | C16 | C17 | H34 | 119.5° | 126.1° |
| C15 | C16 | C30 | H34 | 111.0° | 117.4° |
| C15 | C16 | C17 | C27 | 177.8° | 176.7° |
| C15 | C16 | C30 | C31 | 70.1° | 72.8° |
| C15 | C16 | C30 | C29 | 169.0° | 167.8° |
| C16 | C15 | C14 | H30 | 130.8° | 95.3° |
| C16 | C15 | C14 | H31 | 108.3° | 143.1° |
| C16 | C15 | H32 | H33 | 122.8° | 123.3° |
| C15 | C16 | C17 | H35 | 63.1° | 56.5° |
| C8 | C7 | C6 | H1 | 120.8° | 120.0° |
| C8 | C7 | C6 | H2 | 120.8° | 120.0° |
| C8 | C7 | C6 | C13 | 160.3° | 173.8° |
| C8 | C7 | C6 | C5 | 28.9° | 66.2° |
| C8 | C7 | H1 | H2 | 117.4° | 120.0° |
| C7 | C8 | H3 | H4 | 118.5° | 120.0° |
| C7 | C8 | C9 | H5 | 25.9° | 60.0° |
| C7 | C8 | C9 | H6 | 92.0° | 60.0° |
| C8 | C7 | C6 | H11 | 84.4° | 53.8° |
| C7 | C6 | C13 | C5 | 129.7° | 120.0° |
| C7 | C6 | C13 | H11 | 115.3° | 120.0° |
| C7 | C6 | C13 | C30 | 158.3° | 82.9° |
| C7 | C6 | C5 | H11 | 113.3° | 120.0° |
| C7 | C6 | C5 | C4 | 87.9° | 178.9° |
| C6 | C7 | H1 | H2 | 117.4° | 120.0° |
| C6 | C7 | C8 | H3 | 59.9° | 60.0° |
| C6 | C7 | C8 | H4 | 59.2° | 60.0° |
| C7 | C6 | C5 | H9 | 151.0° | 59.0° |
| C7 | C6 | C5 | H10 | 33.2° | 61.1° |
| C7 | C6 | C13 | H29 | 80.7° | 155.1° |
| C19 | C18 | C17 | H36 | 120.7° | 120.0° |
| C19 | C18 | C17 | H37 | 120.6° | 119.9° |
| C19 | C18 | C17 | C16 | 156.3° | 173.1° |
| C18 | C19 | C20 | H38 | 180.0° | 179.9° |
| C19 | C18 | C17 | C27 | 36.7° | 56.1° |
| C18 | C19 | C20 | C21 | 179.7° | 179.6° |
| C18 | C19 | C20 | C25 | 0.4° | 0.6° |
| C19 | C18 | C17 | H35 | 83.6° | 65.0° |
| C19 | C18 | H36 | H37 | 117.9° | 120.1° |
| C18 | C17 | C16 | C27 | 120.7° | 117.4° |
| C18 | C17 | C16 | H35 | 120.2° | 122.4° |
| C18 | C17 | C16 | C30 | 178.5° | 178.7° |
| C17 | C18 | C19 | C20 | 9.7° | 26.5° |
| C18 | C17 | C27 | H35 | 120.3° | 121.5° |
| C18 | C17 | C27 | C25 | 57.2° | 62.7° |
| C18 | C17 | C27 | C28 | 173.6° | 174.7° |
| C18 | C17 | C16 | H34 | 62.3° | 60.2° |
| C17 | C18 | H36 | H37 | 117.9° | 120.1° |
| C17 | C18 | C19 | H38 | 170.3° | 153.6° |
| C18 | C17 | C27 | H49 | 58.6° | 55.8° |
| C6 | C13 | C30 | H29 | 121.1° | 122.0° |
| C6 | C13 | C30 | C16 | 166.1° | 148.2° |
| C13 | C6 | C5 | H11 | 114.9° | 120.0° |
| C13 | C6 | C5 | C4 | 43.9° | 61.0° |
| C6 | C13 | C30 | C31 | 48.2° | 31.0° |
| C6 | C13 | C30 | C29 | 79.6° | 94.8° |
| C13 | C6 | C7 | H1 | 39.5° | 66.1° |
| C13 | C6 | C7 | H2 | 78.9° | 53.9° |
| C13 | C6 | C5 | H9 | 77.1° | 179.0° |
| C13 | C6 | C5 | H10 | 165.0° | 59.0° |
| C6 | C13 | C14 | H30 | 29.3° | 118.4° |
| C6 | C13 | C14 | H31 | 91.6° | 3.2° |
| C13 | C30 | C16 | C17 | 179.6° | 166.3° |
| C13 | C30 | C16 | C31 | 117.7° | 117.2° |
| C13 | C30 | C16 | C29 | 121.4° | 123.4° |
| C30 | C13 | C6 | C5 | 72.0° | 157.1° |
| C13 | C30 | C31 | C29 | 130.9° | 129.4° |
| C13 | C30 | C29 | C28 | 165.1° | 179.8° |
| C30 | C13 | C6 | H11 | 43.0° | 37.2° |
| C30 | C13 | C14 | H30 | 101.4° | 122.6° |
| C30 | C13 | C14 | H31 | 137.7° | 115.8° |
| C13 | C30 | C16 | H34 | 63.4° | 73.1° |
| C13 | C30 | C29 | H52 | 74.5° | 60.4° |
| C13 | C30 | C29 | H53 | 44.6° | 60.8° |
| C13 | C30 | C31 | H54 | 180.0° | 43.5° |
| C13 | C30 | C31 | H55 | 60.0° | 163.5° |
| C13 | C30 | C31 | H56 | 60.0° | 76.5° |
| C17 | C16 | C30 | H34 | 116.2° | 120.6° |
| C16 | C17 | C27 | H35 | 119.1° | 120.2° |
| C17 | C16 | C30 | C31 | 62.7° | 49.2° |
| C17 | C16 | C30 | C29 | 58.2° | 70.3° |
| C16 | C17 | C27 | C25 | 177.8° | 179.0° |
| C16 | C17 | C27 | C28 | 53.0° | 56.5° |
| C17 | C16 | C15 | H32 | 74.5° | 84.2° |
| C17 | C16 | C15 | H33 | 47.4° | 39.2° |
| C16 | C17 | C18 | H36 | 83.0° | 53.1° |
| C16 | C17 | C18 | H37 | 35.6° | 67.1° |
| C16 | C17 | C27 | H49 | 62.0° | 62.4° |
| C30 | C16 | C17 | C27 | 57.8° | 64.0° |
| C16 | C30 | C31 | C29 | 118.8° | 117.6° |
| C16 | C30 | C29 | C28 | 55.0° | 64.9° |
| C16 | C30 | C13 | H29 | 72.8° | 89.8° |
| C30 | C16 | C15 | H32 | 155.9° | 159.9° |
| C30 | C16 | C15 | H33 | 82.2° | 76.7° |
| C30 | C16 | C17 | H35 | 61.3° | 56.2° |
| C16 | C30 | C29 | H52 | 175.5° | 54.5° |
| C16 | C30 | C29 | H53 | 65.4° | 175.7° |
| C16 | C30 | C31 | H54 | 69.7° | 156.5° |
| C16 | C30 | C31 | H55 | 50.3° | 83.5° |
| C16 | C30 | C31 | H56 | 170.3° | 36.5° |
| C19 | C20 | C21 | C25 | 179.3° | 179.9° |
| C19 | C20 | C25 | C27 | 18.8° | 5.7° |
| C19 | C20 | C21 | C22 | 129.1° | 128.7° |
| C19 | C20 | C25 | C24 | 137.3° | 129.0° |
| C19 | C20 | C25 | C26 | 103.2° | 113.5° |
| C20 | C19 | C18 | H36 | 130.4° | 93.5° |
| C20 | C19 | C18 | H37 | 110.9° | 146.4° |
| C19 | C20 | C21 | H39 | 8.7° | 8.9° |
| C19 | C20 | C21 | H40 | 110.6° | 111.6° |
| C6 | C5 | C4 | H9 | 121.0° | 120.0° |
| C6 | C5 | C4 | H10 | 121.1° | 120.0° |
| C6 | C5 | C4 | C3 | 173.8° | 174.6° |
| C5 | C6 | C7 | H1 | 92.0° | 53.9° |
| C5 | C6 | C7 | H2 | 149.7° | 173.9° |
| C6 | C5 | H9 | H10 | 116.7° | 120.0° |
| C6 | C5 | C4 | H12 | 65.8° | 65.3° |
| C6 | C5 | C4 | H13 | 53.3° | 54.6° |
| C5 | C6 | C13 | H29 | 49.1° | 35.1° |
| C17 | C27 | C25 | C20 | 47.1° | 36.8° |
| C17 | C27 | C25 | C28 | 128.6° | 123.8° |
| C17 | C27 | C25 | H49 | 115.9° | 118.6° |
| C17 | C27 | C28 | H49 | 115.0° | 119.1° |
| C17 | C27 | C28 | C29 | 53.8° | 53.8° |
| C17 | C27 | C25 | C24 | 166.7° | 159.7° |
| C17 | C27 | C25 | C26 | 72.7° | 82.7° |
| C27 | C17 | C16 | H34 | 58.4° | 57.2° |
| C27 | C17 | C18 | H36 | 157.4° | 63.9° |
| C27 | C17 | C18 | H37 | 84.0° | 176.0° |
| C17 | C27 | C28 | H50 | 174.2° | 174.4° |
| C17 | C27 | C28 | H51 | 66.7° | 66.7° |
| C5 | C4 | C3 | H12 | 120.5° | 120.0° |
| C5 | C4 | C3 | H13 | 120.5° | 120.0° |
| C5 | C4 | C3 | C1 | 158.9° | 180.0° |
| C4 | C5 | H9 | H10 | 116.6° | 120.0° |
| C4 | C5 | C6 | H11 | 158.8° | 58.9° |
| C5 | C4 | H12 | H13 | 118.7° | 120.0° |
| C5 | C4 | C3 | H14 | 37.8° | 60.0° |
| C5 | C4 | C3 | H15 | 80.0° | 59.9° |
| C4 | C3 | C1 | H14 | 121.1° | 120.0° |
| C4 | C3 | C1 | H15 | 121.1° | 120.1° |
| C4 | C3 | C1 | C | 151.8° | 175.0° |
| C4 | C3 | C1 | C2 | 84.0° | 65.0° |
| C4 | C3 | C1 | H8 | 34.1° | 55.0° |
| C3 | C4 | C5 | H9 | 52.7° | 54.7° |
| C3 | C4 | C5 | H10 | 65.2° | 65.4° |
| C3 | C4 | H12 | H13 | 118.6° | 120.0° |
| C4 | C3 | H14 | H15 | 116.5° | 120.0° |
| C31 | C30 | C29 | C28 | 66.6° | 54.5° |
| C31 | C30 | C13 | H29 | 169.3° | 153.0° |
| C31 | C30 | C16 | H34 | 178.9° | 169.8° |
| C31 | C30 | C29 | H52 | 53.8° | 173.9° |
| C31 | C30 | C29 | H53 | 172.9° | 65.0° |
| C30 | C31 | H54 | H55 | 120.0° | 120.1° |
| C30 | C31 | H54 | H56 | 120.0° | 120.0° |
| C30 | C31 | H55 | H56 | 120.0° | 120.0° |
| C30 | C29 | C28 | C27 | 55.4° | 57.4° |
| C30 | C29 | C28 | H52 | 120.4° | 119.3° |
| C30 | C29 | C28 | H53 | 120.5° | 119.5° |
| C29 | C30 | C13 | H29 | 41.5° | 27.2° |
| C29 | C30 | C16 | H34 | 58.0° | 50.4° |
| C30 | C29 | C28 | H50 | 175.9° | 178.0° |
| C30 | C29 | C28 | H51 | 65.0° | 63.1° |
| C30 | C29 | H52 | H53 | 118.6° | 121.2° |
| C29 | C30 | C31 | H54 | 49.0° | 85.9° |
| C29 | C30 | C31 | H55 | 169.1° | 34.1° |
| C29 | C30 | C31 | H56 | 71.0° | 154.1° |
| C21 | C20 | C25 | C27 | 162.0° | 174.4° |
| C20 | C21 | C22 | H39 | 120.3° | 119.8° |
| C20 | C21 | C22 | H40 | 120.4° | 119.7° |
| C20 | C21 | C22 | O1 | 180.0° | 175.2° |
| C20 | C21 | C22 | C23 | 57.5° | 55.1° |
| C21 | C20 | C25 | C24 | 43.4° | 51.1° |
| C21 | C20 | C25 | C26 | 76.0° | 66.4° |
| C21 | C20 | C19 | H38 | 0.3° | 0.3° |
| C20 | C21 | H39 | H40 | 119.0° | 120.5° |
| C20 | C21 | C22 | H41 | 60.5° | 64.9° |
| C20 | C25 | C27 | C24 | 119.5° | 122.9° |
| C20 | C25 | C27 | C26 | 119.9° | 119.5° |
| C20 | C25 | C27 | C28 | 175.7° | 160.6° |
| C25 | C20 | C21 | C22 | 51.7° | 51.4° |
| C20 | C25 | C24 | C26 | 118.6° | 117.5° |
| C20 | C25 | C24 | C23 | 44.5° | 54.2° |
| C25 | C20 | C19 | H38 | 179.6° | 179.5° |
| C25 | C20 | C21 | H39 | 172.0° | 171.2° |
| C25 | C20 | C21 | H40 | 68.7° | 68.3° |
| C20 | C25 | C24 | H44 | 165.4° | 65.7° |
| C20 | C25 | C24 | H45 | 76.5° | 174.3° |
| C20 | C25 | C26 | H46 | 180.0° | 67.5° |
| C20 | C25 | C26 | H47 | 60.0° | 172.5° |
| C20 | C25 | C26 | H48 | 60.0° | 52.6° |
| C20 | C25 | C27 | H49 | 68.7° | 81.8° |
| C25 | C27 | C28 | H49 | 115.4° | 117.9° |
| C25 | C27 | C28 | C29 | 176.6° | 176.8° |
| C27 | C25 | C24 | C26 | 122.0° | 117.3° |
| C27 | C25 | C24 | C23 | 163.9° | 179.5° |
| C25 | C27 | C17 | H35 | 63.1° | 58.8° |
| C27 | C25 | C24 | H44 | 75.1° | 59.5° |
| C27 | C25 | C24 | H45 | 43.0° | 60.5° |
| C27 | C25 | C26 | H46 | 59.4° | 55.3° |
| C27 | C25 | C26 | H47 | 179.3° | 64.6° |
| C27 | C25 | C26 | H48 | 60.7° | 175.4° |
| C25 | C27 | C28 | H50 | 56.2° | 62.6° |
| C25 | C27 | C28 | H51 | 62.9° | 56.3° |
| C27 | C28 | C29 | H50 | 120.5° | 120.6° |
| C27 | C28 | C29 | H51 | 120.5° | 120.5° |
| C28 | C27 | C25 | C24 | 64.7° | 76.5° |
| C28 | C27 | C25 | C26 | 55.9° | 41.1° |
| C28 | C27 | C17 | H35 | 66.1° | 63.8° |
| C27 | C28 | H50 | H51 | 118.5° | 118.9° |
| C27 | C28 | C29 | H52 | 175.9° | 61.9° |
| C27 | C28 | C29 | H53 | 65.0° | 176.9° |
| C21 | C22 | O1 | C23 | 122.0° | 120.1° |
| C21 | C22 | O1 | H41 | 118.8° | 120.0° |
| C21 | C22 | C23 | H41 | 117.9° | 120.0° |
| C21 | C22 | C23 | C24 | 58.1° | 63.7° |
| C21 | C22 | O1 | H7 | 180.0° | 59.9° |
| C22 | C21 | H39 | H40 | 118.9° | 120.5° |
| C21 | C22 | C23 | H42 | 178.3° | 176.2° |
| C21 | C22 | C23 | H43 | 62.0° | 56.3° |
| C3 | C1 | C | C2 | 124.8° | 120.0° |
| C3 | C1 | C | H8 | 117.8° | 120.0° |
| C3 | C1 | C2 | H8 | 118.0° | 119.9° |
| C1 | C3 | C4 | H12 | 80.6° | 60.0° |
| C1 | C3 | C4 | H13 | 38.5° | 60.0° |
| C1 | C3 | H14 | H15 | 116.5° | 120.0° |
| C3 | C1 | C2 | H16 | 180.0° | 180.0° |
| C3 | C1 | C2 | H17 | 60.0° | 59.9° |
| C3 | C1 | C2 | H18 | 60.0° | 60.0° |
| C3 | C1 | C | H19 | 180.0° | 60.0° |
| C3 | C1 | C | H20 | 60.0° | 180.0° |
| C3 | C1 | C | H21 | 60.0° | 60.0° |
| C | C1 | C2 | H8 | 117.4° | 120.0° |
| C | C1 | C3 | H14 | 87.1° | 55.0° |
| C | C1 | C3 | H15 | 30.7° | 65.0° |
| C | C1 | C2 | H16 | 55.4° | 60.0° |
| C | C1 | C2 | H17 | 175.4° | 180.0° |
| C | C1 | C2 | H18 | 64.6° | 60.0° |
| C1 | C | H19 | H20 | 120.0° | 119.9° |
| C1 | C | H19 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C2 | C1 | C3 | H14 | 37.1° | 175.0° |
| C2 | C1 | C3 | H15 | 154.9° | 55.1° |
| C1 | C2 | H16 | H17 | 120.0° | 120.0° |
| C1 | C2 | H16 | H18 | 120.0° | 120.0° |
| C1 | C2 | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | C | H19 | 55.2° | 179.9° |
| C2 | C1 | C | H20 | 64.8° | 60.0° |
| C2 | C1 | C | H21 | 175.2° | 60.0° |
| C29 | C28 | C27 | H49 | 61.3° | 65.3° |
| C29 | C28 | H50 | H51 | 118.5° | 118.8° |
| C28 | C29 | H52 | H53 | 118.7° | 121.1° |
| O1 | C22 | C23 | H41 | 119.8° | 120.0° |
| O1 | C22 | C23 | C24 | 179.6° | 176.3° |
| O1 | C22 | C21 | H39 | 59.6° | 65.0° |
| O1 | C22 | C21 | H40 | 59.6° | 55.5° |
| O1 | C22 | C23 | H42 | 59.4° | 56.2° |
| O1 | C22 | C23 | H43 | 60.3° | 63.8° |
| C22 | C23 | C24 | C25 | 53.5° | 62.8° |
| C22 | C23 | C24 | H42 | 120.1° | 120.1° |
| C22 | C23 | C24 | H43 | 120.1° | 120.0° |
| C23 | C22 | O1 | H7 | 58.0° | 180.0° |
| C23 | C22 | C21 | H39 | 177.8° | 174.9° |
| C23 | C22 | C21 | H40 | 62.9° | 64.6° |
| C22 | C23 | H42 | H43 | 119.6° | 119.9° |
| C22 | C23 | C24 | H44 | 174.5° | 57.2° |
| C22 | C23 | C24 | H45 | 67.4° | 177.2° |
| C25 | C24 | C23 | H44 | 120.9° | 120.0° |
| C25 | C24 | C23 | H45 | 120.9° | 120.0° |
| C25 | C24 | C23 | H42 | 173.7° | 177.1° |
| C25 | C24 | C23 | H43 | 66.6° | 57.3° |
| C25 | C24 | H44 | H45 | 117.1° | 120.1° |
| C24 | C25 | C26 | H46 | 60.4° | 174.2° |
| C24 | C25 | C26 | H47 | 59.5° | 54.2° |
| C24 | C25 | C26 | H48 | 179.5° | 65.7° |
| C24 | C25 | C27 | H49 | 50.8° | 41.1° |
| C26 | C25 | C24 | C23 | 74.1° | 63.3° |
| C26 | C25 | C24 | H44 | 46.8° | 176.8° |
| C26 | C25 | C24 | H45 | 164.9° | 56.8° |
| C25 | C26 | H46 | H47 | 120.0° | 120.0° |
| C25 | C26 | H46 | H48 | 120.0° | 120.1° |
| C25 | C26 | H47 | H48 | 120.0° | 120.0° |
| C26 | C25 | C27 | H49 | 171.4° | 158.7° |
| C24 | C23 | C22 | H41 | 59.8° | 56.3° |
| C24 | C23 | H42 | H43 | 119.6° | 119.8° |
| C23 | C24 | H44 | H45 | 117.1° | 120.0° |
| H1 | C7 | C8 | H3 | 179.3° | 60.0° |
| H1 | C7 | C8 | H4 | 61.7° | 180.0° |
| H1 | C7 | C6 | H11 | 154.7° | 173.9° |
| H2 | C7 | C8 | H3 | 61.0° | 179.9° |
| H2 | C7 | C8 | H4 | 180.0° | 60.0° |
| H2 | C7 | C6 | H11 | 36.4° | 66.1° |
| H3 | C8 | C9 | H5 | 146.4° | 180.0° |
| H3 | C8 | C9 | H6 | 28.5° | 60.0° |
| H4 | C8 | C9 | H5 | 94.6° | 60.0° |
| H4 | C8 | C9 | H6 | 147.5° | 180.0° |
| H7 | O1 | C22 | H41 | 61.2° | 60.0° |
| H8 | C1 | C3 | H14 | 155.2° | 65.0° |
| H8 | C1 | C3 | H15 | 87.0° | 175.0° |
| H8 | C1 | C2 | H16 | 62.0° | 60.1° |
| H8 | C1 | C2 | H17 | 58.0° | 60.0° |
| H8 | C1 | C2 | H18 | 178.0° | 180.0° |
| H8 | C1 | C | H19 | 62.3° | 59.9° |
| H8 | C1 | C | H20 | 177.8° | 60.0° |
| H8 | C1 | C | H21 | 57.7° | 180.0° |
| H9 | C5 | C6 | H11 | 37.7° | 61.0° |
| H9 | C5 | C4 | H12 | 173.2° | 174.7° |
| H9 | C5 | C4 | H13 | 67.7° | 65.4° |
| H10 | C5 | C6 | H11 | 80.1° | 178.9° |
| H10 | C5 | C4 | H12 | 55.3° | 54.6° |
| H10 | C5 | C4 | H13 | 174.4° | 174.6° |
| H11 | C6 | C13 | H29 | 164.0° | 84.8° |
| H12 | C4 | C3 | H14 | 158.3° | 60.0° |
| H12 | C4 | C3 | H15 | 40.5° | 180.0° |
| H13 | C4 | C3 | H14 | 82.6° | 180.0° |
| H13 | C4 | C3 | H15 | 159.6° | 60.1° |
| H16 | C2 | H17 | H18 | 120.0° | 120.0° |
| H19 | C | H20 | H21 | 120.0° | 120.0° |
| H23 | C11 | H24 | H25 | 120.0° | 120.0° |
| H26 | C12 | H27 | H28 | 120.0° | 120.0° |
| H29 | C13 | C14 | H30 | 146.0° | 3.6° |
| H29 | C13 | C14 | H31 | 25.1° | 125.2° |
| H30 | C14 | C15 | H32 | 110.1° | 23.1° |
| H30 | C14 | C15 | H33 | 11.8° | 146.4° |
| H31 | C14 | C15 | H32 | 10.7° | 98.5° |
| H31 | C14 | C15 | H33 | 132.7° | 24.8° |
| H32 | C15 | C16 | H34 | 44.9° | 41.9° |
| H33 | C15 | C16 | H34 | 166.9° | 165.3° |
| H34 | C16 | C17 | H35 | 177.5° | 177.4° |
| H35 | C17 | C18 | H36 | 37.1° | 175.0° |
| H35 | C17 | C18 | H37 | 155.8° | 54.9° |
| H35 | C17 | C27 | H49 | 178.9° | 177.4° |
| H36 | C18 | C19 | H38 | 49.6° | 86.4° |
| H37 | C18 | C19 | H38 | 69.1° | 33.7° |
| H39 | C21 | C22 | H41 | 59.9° | 54.9° |
| H40 | C21 | C22 | H41 | 179.2° | 175.4° |
| H41 | C22 | C23 | H42 | 60.4° | 63.8° |
| H41 | C22 | C23 | H43 | 179.9° | 176.3° |
| H42 | C23 | C24 | H44 | 65.4° | 62.9° |
| H42 | C23 | C24 | H45 | 52.8° | 57.1° |
| H43 | C23 | C24 | H44 | 54.3° | 177.2° |
| H43 | C23 | C24 | H45 | 172.5° | 62.8° |
| H46 | C26 | H47 | H48 | 120.0° | 120.0° |
| H49 | C27 | C28 | H50 | 59.2° | 55.2° |
| H49 | C27 | C28 | H51 | 178.3° | 174.2° |
| H50 | C28 | C29 | H52 | 63.7° | 58.7° |
| H50 | C28 | C29 | H53 | 55.5° | 62.5° |
| H51 | C28 | C29 | H52 | 55.4° | 177.5° |
| H51 | C28 | C29 | H53 | 174.5° | 56.4° |
| H54 | C31 | H55 | H56 | 120.0° | 119.9° |
