DD6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C34 | sing | 1.43Å | 1.43Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.50Å | 1.51Å | |
| C28 | C27 | sing | 1.51Å | 1.50Å | |
| C36 | C31 | doub | 1.32Å | 1.35Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C32 | C31 | sing | 1.50Å | 1.51Å | |
| C32 | C41 | sing | 1.53Å | 1.52Å | |
| C32 | C40 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.43Å | 1.26Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C30 | C29 | trip | 1.17Å | 1.18Å | |
| C27 | C29 | sing | 1.43Å | 1.26Å | |
| C27 | C26 | doub | 1.37Å | 1.35Å | |
| C25 | C26 | sing | 1.40Å | 1.47Å | |
| C25 | C24 | doub | 1.38Å | 1.34Å | |
| C1 | C24 | sing | 1.40Å | 1.48Å | |
| C1 | C2 | doub | 1.38Å | 1.35Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.40Å | 1.47Å | |
| C3 | C4 | doub | 1.38Å | 1.35Å | |
| C5 | C4 | sing | 1.40Å | 1.47Å | |
| C5 | C6 | doub | 1.38Å | 1.36Å | |
| C8 | C6 | sing | 1.40Å | 1.49Å | |
| C8 | C9 | doub | 1.37Å | 1.34Å | |
| C20 | C19 | sing | 1.52Å | 1.54Å | |
| C20 | C15 | sing | 1.52Å | 1.54Å | |
| C20 | O1 | sing | 1.42Å | 1.43Å | |
| C13 | C14 | doub | 1.34Å | 1.35Å | |
| C13 | C11 | sing | 1.42Å | 1.49Å | |
| C10 | C9 | sing | 1.41Å | 1.47Å | |
| C10 | C11 | doub | 1.36Å | 1.35Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| O2 | C18 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | O1 | sing | 1.44Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C23 | sing | 1.53Å | 1.53Å | |
| C16 | C22 | sing | 1.53Å | 1.53Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.08Å | 1.08Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H48 | sing | 1.09Å | 1.10Å | |
| C5 | H49 | sing | 1.08Å | 1.08Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å | |
| C7 | H51 | sing | 1.09Å | 1.10Å | |
| C7 | H52 | sing | 1.09Å | 1.10Å | |
| C8 | H53 | sing | 1.08Å | 1.08Å | |
| C9 | H54 | sing | 1.08Å | 1.08Å | |
| O2 | H55 | sing | 0.97Å | 0.95Å | |
| O4 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C34 | C33 | 109.1° | 109.6° |
| O4 | C34 | C35 | 107.1° | 109.6° |
| O4 | C34 | H35 | 110.0° | 109.8° |
| C34 | O4 | H56 | 109.5° | 114.0° |
| C33 | C34 | C35 | 113.4° | 108.6° |
| C34 | C33 | C32 | 110.7° | 108.6° |
| C34 | C33 | H33 | 109.2° | 109.7° |
| C34 | C33 | H34 | 109.2° | 109.8° |
| C33 | C34 | H35 | 108.6° | 109.6° |
| C34 | C35 | C36 | 113.9° | 110.1° |
| C35 | C34 | H35 | 108.7° | 109.6° |
| C34 | C35 | H36 | 108.3° | 109.3° |
| C34 | C35 | H37 | 108.4° | 109.4° |
| C33 | C32 | C31 | 103.9° | 110.1° |
| C33 | C32 | C41 | 111.8° | 109.4° |
| C33 | C32 | C40 | 109.8° | 109.2° |
| C32 | C33 | H33 | 109.1° | 109.6° |
| C32 | C33 | H34 | 109.2° | 109.6° |
| C35 | C36 | C31 | 121.3° | 123.7° |
| C35 | C36 | C37 | 117.2° | 118.1° |
| C36 | C35 | H36 | 108.3° | 109.5° |
| C36 | C35 | H37 | 108.3° | 109.3° |
| C28 | C27 | C29 | 114.7° | 120.0° |
| C28 | C27 | C26 | 118.2° | 120.0° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H29 | 109.4° | 109.5° |
| C27 | C28 | H30 | 109.5° | 109.4° |
| C31 | C36 | C37 | 121.5° | 118.2° |
| C36 | C31 | C32 | 120.0° | 123.7° |
| C36 | C31 | C30 | 119.2° | 118.1° |
| C36 | C37 | H39 | 109.5° | 109.5° |
| C36 | C37 | H40 | 109.5° | 109.4° |
| C36 | C37 | H41 | 109.5° | 109.5° |
| C31 | C32 | C41 | 109.0° | 109.4° |
| C31 | C32 | C40 | 114.2° | 109.3° |
| C32 | C31 | C30 | 120.5° | 118.1° |
| C41 | C32 | C40 | 108.2° | 109.4° |
| C32 | C41 | H46 | 109.5° | 109.5° |
| C32 | C41 | H47 | 109.5° | 109.5° |
| C32 | C41 | H48 | 109.5° | 109.5° |
| C32 | C40 | H43 | 109.5° | 109.5° |
| C32 | C40 | H44 | 109.5° | 109.5° |
| C32 | C40 | H45 | 109.5° | 109.4° |
| C31 | C30 | C29 | 169.4° | 180.0° |
| C | C1 | C24 | 118.3° | 120.0° |
| C | C1 | C2 | 120.6° | 120.0° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.4° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C30 | C29 | C27 | 167.5° | 179.9° |
| C29 | C27 | C26 | 127.1° | 120.0° |
| C27 | C26 | C25 | 116.3° | 120.0° |
| C27 | C26 | H27 | 121.9° | 120.0° |
| C26 | C25 | C24 | 122.1° | 120.0° |
| C26 | C25 | H26 | 119.0° | 120.0° |
| C25 | C26 | H27 | 121.8° | 120.0° |
| C25 | C24 | C1 | 122.2° | 120.0° |
| C25 | C24 | H25 | 118.9° | 120.0° |
| C24 | C25 | H26 | 119.0° | 120.0° |
| C24 | C1 | C2 | 121.0° | 120.0° |
| C1 | C24 | H25 | 118.9° | 120.0° |
| C1 | C2 | C3 | 123.3° | 120.0° |
| C1 | C2 | H15 | 118.4° | 120.0° |
| C21 | C20 | C19 | 117.1° | 114.9° |
| C21 | C20 | C15 | 118.5° | 116.2° |
| C21 | C20 | O1 | 110.8° | 115.8° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.4° |
| C2 | C3 | C4 | 122.5° | 120.0° |
| C3 | C2 | H15 | 118.4° | 120.0° |
| C2 | C3 | H31 | 118.8° | 120.0° |
| C3 | C4 | C5 | 121.5° | 120.0° |
| C4 | C3 | H31 | 118.8° | 120.0° |
| C3 | C4 | H42 | 119.2° | 120.0° |
| C4 | C5 | C6 | 125.3° | 120.0° |
| C5 | C4 | H42 | 119.2° | 120.0° |
| C4 | C5 | H49 | 117.4° | 120.0° |
| C5 | C6 | C8 | 119.8° | 119.9° |
| C5 | C6 | C7 | 120.3° | 120.1° |
| C6 | C5 | H49 | 117.4° | 120.1° |
| C6 | C8 | C9 | 125.3° | 120.0° |
| C8 | C6 | C7 | 119.9° | 120.0° |
| C6 | C8 | H53 | 117.4° | 120.0° |
| C8 | C9 | C10 | 118.7° | 120.0° |
| C9 | C8 | H53 | 117.3° | 120.0° |
| C8 | C9 | H54 | 120.7° | 120.0° |
| C19 | C20 | C15 | 121.2° | 120.0° |
| C19 | C20 | O1 | 116.1° | 120.1° |
| C20 | C19 | C18 | 117.1° | 110.5° |
| C20 | C19 | H13 | 107.5° | 109.3° |
| C20 | C19 | H14 | 107.5° | 109.3° |
| C15 | C20 | O1 | 57.8° | 58.3° |
| C20 | C15 | C14 | 105.8° | 117.5° |
| C20 | C15 | O1 | 57.3° | 57.4° |
| C20 | C15 | C16 | 113.7° | 120.5° |
| C20 | O1 | C15 | 64.9° | 64.3° |
| C14 | C13 | C11 | 133.7° | 120.0° |
| C13 | C14 | C15 | 135.0° | 120.0° |
| C14 | C13 | H8 | 113.1° | 120.0° |
| C13 | C14 | H9 | 112.5° | 120.0° |
| C13 | C11 | C10 | 119.9° | 120.0° |
| C13 | C11 | C12 | 119.7° | 120.0° |
| C11 | C13 | H8 | 113.2° | 119.9° |
| C9 | C10 | C11 | 124.8° | 120.0° |
| C9 | C10 | H4 | 117.6° | 120.0° |
| C10 | C9 | H54 | 120.7° | 120.0° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C11 | C10 | H4 | 117.6° | 120.0° |
| C19 | C18 | O2 | 109.8° | 109.7° |
| C19 | C18 | C17 | 110.9° | 108.6° |
| C19 | C18 | H12 | 108.3° | 109.6° |
| C18 | C19 | H13 | 107.6° | 109.3° |
| C18 | C19 | H14 | 107.6° | 109.2° |
| C14 | C15 | O1 | 123.1° | 117.5° |
| C14 | C15 | C16 | 118.5° | 115.6° |
| C15 | C14 | H9 | 112.5° | 120.0° |
| O2 | C18 | C17 | 109.8° | 109.6° |
| O2 | C18 | H12 | 109.6° | 109.6° |
| C18 | O2 | H55 | 109.5° | 114.1° |
| C6 | C7 | H50 | 109.5° | 109.4° |
| C6 | C7 | H51 | 109.5° | 109.5° |
| C6 | C7 | H52 | 109.5° | 109.4° |
| C11 | C12 | H5 | 109.5° | 109.5° |
| C11 | C12 | H6 | 109.4° | 109.4° |
| C11 | C12 | H7 | 109.4° | 109.5° |
| C18 | C17 | C16 | 110.2° | 108.6° |
| C18 | C17 | H10 | 109.3° | 109.6° |
| C18 | C17 | H11 | 109.3° | 109.7° |
| C17 | C18 | H12 | 108.4° | 109.7° |
| O1 | C15 | C16 | 117.7° | 115.8° |
| C15 | C16 | C17 | 110.2° | 110.1° |
| C15 | C16 | C23 | 109.4° | 109.4° |
| C15 | C16 | C22 | 112.1° | 109.4° |
| C17 | C16 | C23 | 107.7° | 109.3° |
| C17 | C16 | C22 | 109.9° | 109.3° |
| C16 | C17 | H10 | 109.3° | 109.6° |
| C16 | C17 | H11 | 109.3° | 109.6° |
| C23 | C16 | C22 | 107.4° | 109.4° |
| C16 | C23 | H22 | 109.5° | 109.4° |
| C16 | C23 | H23 | 109.4° | 109.5° |
| C16 | C23 | H24 | 109.5° | 109.5° |
| C16 | C22 | H19 | 109.5° | 109.5° |
| C16 | C22 | H20 | 109.5° | 109.5° |
| C16 | C22 | H21 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.4° |
| H1 | C | H3 | 109.4° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H5 | C12 | H7 | 109.4° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.7° |
| H13 | C19 | H14 | 109.5° | 109.3° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.4° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.4° |
| H19 | C22 | H21 | 109.5° | 109.4° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H24 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H28 | C28 | H30 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.4° | 109.6° |
| H36 | C35 | H37 | 109.5° | 109.3° |
| H39 | C37 | H40 | 109.5° | 109.4° |
| H39 | C37 | H41 | 109.5° | 109.5° |
| H40 | C37 | H41 | 109.5° | 109.4° |
| H43 | C40 | H44 | 109.5° | 109.5° |
| H43 | C40 | H45 | 109.4° | 109.5° |
| H44 | C40 | H45 | 109.5° | 109.4° |
| H46 | C41 | H47 | 109.5° | 109.5° |
| H46 | C41 | H48 | 109.5° | 109.4° |
| H47 | C41 | H48 | 109.5° | 109.5° |
| H50 | C7 | H51 | 109.5° | 109.5° |
| H50 | C7 | H52 | 109.4° | 109.5° |
| H51 | C7 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C34 | C33 | C35 | 119.2° | 119.7° |
| O4 | C34 | C33 | H35 | 119.8° | 120.6° |
| O4 | C34 | C35 | H35 | 118.7° | 120.6° |
| O4 | C34 | C33 | C32 | 173.8° | 172.0° |
| O4 | C34 | C35 | C36 | 148.6° | 169.7° |
| O4 | C34 | C33 | H33 | 66.1° | 68.3° |
| O4 | C34 | C33 | H34 | 53.6° | 52.2° |
| O4 | C34 | C35 | H36 | 28.0° | 49.4° |
| O4 | C34 | C35 | H37 | 90.8° | 70.2° |
| C33 | C34 | C35 | H35 | 120.9° | 119.7° |
| C34 | C33 | C32 | H33 | 120.2° | 119.7° |
| C34 | C33 | C32 | H34 | 120.2° | 119.9° |
| C33 | C34 | C35 | C36 | 28.2° | 50.0° |
| C34 | C33 | C32 | C31 | 63.0° | 49.8° |
| C34 | C33 | C32 | C41 | 179.5° | 170.1° |
| C34 | C33 | C32 | C40 | 59.5° | 70.3° |
| C34 | C33 | H33 | H34 | 119.5° | 120.6° |
| C33 | C34 | C35 | H36 | 92.4° | 70.3° |
| C33 | C34 | C35 | H37 | 148.9° | 170.1° |
| C33 | C34 | O4 | H56 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 54.5° | 68.2° |
| C34 | C35 | C36 | H36 | 120.6° | 120.2° |
| C34 | C35 | C36 | H37 | 120.7° | 120.1° |
| C34 | C35 | C36 | C31 | 17.0° | 17.6° |
| C34 | C35 | C36 | C37 | 165.3° | 162.8° |
| C35 | C34 | C33 | H33 | 174.7° | 51.5° |
| C35 | C34 | C33 | H34 | 65.7° | 172.0° |
| C34 | C35 | H36 | H37 | 118.0° | 119.7° |
| C35 | C34 | O4 | H56 | 56.9° | 60.9° |
| C33 | C32 | C31 | C36 | 53.6° | 17.4° |
| C33 | C32 | C31 | C41 | 119.3° | 120.2° |
| C33 | C32 | C31 | C40 | 119.6° | 120.0° |
| C33 | C32 | C41 | C40 | 121.0° | 119.6° |
| C33 | C32 | C31 | C30 | 119.7° | 162.9° |
| C32 | C33 | H33 | H34 | 119.4° | 120.3° |
| C32 | C33 | C34 | H35 | 66.4° | 51.5° |
| C33 | C32 | C40 | H43 | 180.0° | 60.6° |
| C33 | C32 | C40 | H44 | 60.0° | 59.4° |
| C33 | C32 | C40 | H45 | 60.0° | 179.4° |
| C33 | C32 | C41 | H46 | 180.0° | 179.4° |
| C33 | C32 | C41 | H47 | 60.0° | 59.3° |
| C33 | C32 | C41 | H48 | 60.0° | 60.7° |
| C35 | C36 | C31 | C37 | 177.6° | 179.6° |
| C35 | C36 | C31 | C32 | 31.9° | 0.9° |
| C35 | C36 | C31 | C30 | 141.5° | 179.4° |
| C36 | C35 | C34 | H35 | 92.7° | 69.7° |
| C36 | C35 | H36 | H37 | 118.0° | 119.6° |
| C35 | C36 | C37 | H39 | 180.0° | 0.0° |
| C35 | C36 | C37 | H40 | 60.0° | 120.0° |
| C35 | C36 | C37 | H41 | 60.0° | 120.0° |
| C28 | C27 | C29 | C30 | 5.5° | 46.9° |
| C28 | C27 | C29 | C26 | 177.8° | 180.0° |
| C28 | C27 | C26 | C25 | 0.5° | 0.0° |
| C28 | C27 | C26 | H27 | 179.5° | 180.0° |
| C27 | C28 | H28 | H29 | 120.0° | 120.0° |
| C27 | C28 | H28 | H30 | 120.0° | 120.0° |
| C27 | C28 | H29 | H30 | 120.0° | 119.9° |
| C36 | C31 | C32 | C30 | 173.4° | 179.8° |
| C36 | C31 | C32 | C41 | 173.0° | 137.6° |
| C36 | C31 | C32 | C40 | 65.9° | 102.6° |
| C36 | C31 | C30 | C29 | 54.4° | 62.3° |
| C31 | C36 | C35 | H36 | 103.6° | 102.7° |
| C31 | C36 | C35 | H37 | 137.7° | 137.7° |
| C31 | C36 | C37 | H39 | 2.3° | 179.6° |
| C31 | C36 | C37 | H40 | 117.7° | 60.4° |
| C31 | C36 | C37 | H41 | 122.3° | 59.5° |
| C37 | C36 | C31 | C32 | 150.5° | 179.5° |
| C37 | C36 | C31 | C30 | 36.1° | 0.2° |
| C37 | C36 | C35 | H36 | 74.1° | 76.9° |
| C37 | C36 | C35 | H37 | 44.6° | 42.7° |
| C36 | C37 | H39 | H40 | 120.0° | 120.0° |
| C36 | C37 | H39 | H41 | 120.0° | 120.1° |
| C36 | C37 | H40 | H41 | 120.0° | 120.0° |
| C31 | C32 | C41 | C40 | 124.7° | 119.7° |
| C32 | C31 | C30 | C29 | 119.0° | 117.5° |
| C31 | C32 | C33 | H33 | 176.8° | 69.9° |
| C31 | C32 | C33 | H34 | 57.2° | 169.7° |
| C31 | C32 | C40 | H43 | 63.8° | 60.0° |
| C31 | C32 | C40 | H44 | 56.2° | 180.0° |
| C31 | C32 | C40 | H45 | 176.2° | 60.1° |
| C31 | C32 | C41 | H46 | 65.7° | 60.0° |
| C31 | C32 | C41 | H47 | 174.3° | 180.0° |
| C31 | C32 | C41 | H48 | 54.3° | 60.0° |
| C41 | C32 | C31 | C30 | 0.4° | 42.6° |
| C41 | C32 | C33 | H33 | 59.3° | 50.3° |
| C41 | C32 | C33 | H34 | 60.3° | 70.0° |
| C41 | C32 | C40 | H43 | 57.8° | 179.7° |
| C41 | C32 | C40 | H44 | 177.8° | 60.2° |
| C41 | C32 | C40 | H45 | 62.2° | 59.7° |
| C32 | C41 | H46 | H47 | 120.0° | 120.0° |
| C32 | C41 | H46 | H48 | 120.0° | 120.0° |
| C32 | C41 | H47 | H48 | 120.0° | 120.0° |
| C40 | C32 | C31 | C30 | 120.7° | 77.2° |
| C40 | C32 | C33 | H33 | 60.7° | 170.0° |
| C40 | C32 | C33 | H34 | 179.7° | 49.7° |
| C32 | C40 | H43 | H44 | 120.0° | 120.0° |
| C32 | C40 | H43 | H45 | 120.0° | 120.0° |
| C32 | C40 | H44 | H45 | 120.0° | 119.9° |
| C40 | C32 | C41 | H46 | 59.0° | 59.8° |
| C40 | C32 | C41 | H47 | 61.0° | 60.3° |
| C40 | C32 | C41 | H48 | 179.0° | 179.7° |
| C31 | C30 | C29 | C27 | 29.0° | 164.4° |
| C | C1 | C24 | C25 | 28.2° | 0.0° |
| C | C1 | C24 | C2 | 178.6° | 180.0° |
| C | C1 | C2 | C3 | 1.0° | 0.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C | C1 | C2 | H15 | 179.0° | 180.0° |
| C | C1 | C24 | H25 | 151.8° | 180.0° |
| C30 | C29 | C27 | C26 | 172.3° | 133.1° |
| C29 | C27 | C26 | C25 | 178.2° | 180.0° |
| C29 | C27 | C26 | H27 | 1.8° | 0.1° |
| C29 | C27 | C28 | H28 | 180.0° | 90.0° |
| C29 | C27 | C28 | H29 | 60.0° | 150.0° |
| C29 | C27 | C28 | H30 | 60.0° | 30.0° |
| C27 | C26 | C25 | H27 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 144.8° | 180.0° |
| C27 | C26 | C25 | H26 | 35.2° | 0.1° |
| C26 | C27 | C28 | H28 | 2.0° | 90.0° |
| C26 | C27 | C28 | H29 | 122.0° | 30.0° |
| C26 | C27 | C28 | H30 | 118.1° | 150.0° |
| C26 | C25 | C24 | H26 | 180.0° | 180.0° |
| C26 | C25 | C24 | C1 | 178.7° | 180.0° |
| C26 | C25 | C24 | H25 | 1.3° | 0.1° |
| C25 | C24 | C1 | H25 | 180.0° | 179.9° |
| C25 | C24 | C1 | C2 | 153.2° | 180.0° |
| C24 | C25 | C26 | H27 | 35.2° | 0.1° |
| C24 | C1 | C2 | C3 | 179.5° | 180.0° |
| C24 | C1 | C | H1 | 180.0° | 90.0° |
| C24 | C1 | C | H2 | 60.0° | 150.0° |
| C24 | C1 | C | H3 | 60.0° | 30.0° |
| C24 | C1 | C2 | H15 | 0.5° | 0.0° |
| C1 | C24 | C25 | H26 | 1.3° | 0.1° |
| C1 | C2 | C3 | H15 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 174.8° | 180.0° |
| C2 | C1 | C | H1 | 1.4° | 90.0° |
| C2 | C1 | C | H2 | 121.4° | 30.0° |
| C2 | C1 | C | H3 | 118.6° | 150.0° |
| C2 | C1 | C24 | H25 | 26.8° | 0.0° |
| C1 | C2 | C3 | H31 | 5.2° | 0.0° |
| C21 | C20 | C19 | C15 | 159.4° | 146.1° |
| C21 | C20 | C19 | O1 | 134.0° | 145.4° |
| C21 | C20 | C15 | O1 | 97.8° | 105.4° |
| C21 | C20 | C19 | C18 | 145.9° | 168.4° |
| C21 | C20 | C15 | C14 | 21.6° | 1.1° |
| C21 | C20 | C15 | C16 | 153.4° | 151.8° |
| C21 | C20 | C19 | H13 | 93.0° | 48.1° |
| C21 | C20 | C19 | H14 | 24.8° | 71.4° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H18 | 120.0° | 120.0° |
| C20 | C21 | H17 | H18 | 120.0° | 120.0° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.9° | 180.0° |
| C2 | C3 | C4 | H42 | 0.1° | 0.0° |
| C3 | C4 | C5 | H42 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 174.3° | 180.0° |
| C4 | C3 | C2 | H15 | 5.2° | 0.0° |
| C3 | C4 | C5 | H49 | 5.8° | 0.0° |
| C4 | C5 | C6 | H49 | 180.0° | 179.9° |
| C4 | C5 | C6 | C8 | 179.6° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C4 | C3 | H31 | 0.1° | 0.0° |
| C5 | C6 | C8 | C7 | 179.7° | 180.0° |
| C5 | C6 | C8 | C9 | 175.3° | 180.0° |
| C6 | C5 | C4 | H42 | 5.7° | 0.0° |
| C5 | C6 | C7 | H50 | 180.0° | 90.0° |
| C5 | C6 | C7 | H51 | 60.0° | 150.0° |
| C5 | C6 | C7 | H52 | 60.0° | 30.0° |
| C5 | C6 | C8 | H53 | 4.7° | 0.1° |
| C6 | C8 | C9 | H53 | 180.0° | 179.9° |
| C6 | C8 | C9 | C10 | 179.7° | 180.0° |
| C8 | C6 | C5 | H49 | 0.4° | 0.1° |
| C8 | C6 | C7 | H50 | 0.4° | 90.0° |
| C8 | C6 | C7 | H51 | 119.6° | 30.0° |
| C8 | C6 | C7 | H52 | 120.3° | 150.0° |
| C6 | C8 | C9 | H54 | 0.3° | 0.0° |
| C8 | C9 | C10 | H54 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 178.5° | 180.0° |
| C9 | C8 | C6 | C7 | 4.4° | 0.1° |
| C8 | C9 | C10 | H4 | 1.4° | 0.1° |
| C19 | C20 | C15 | O1 | 103.0° | 109.0° |
| C20 | C19 | C18 | H13 | 121.1° | 120.3° |
| C20 | C19 | C18 | H14 | 121.1° | 120.2° |
| C19 | C20 | C15 | C14 | 137.5° | 144.5° |
| C20 | C19 | C18 | O2 | 140.6° | 174.9° |
| C20 | C19 | C18 | C17 | 19.1° | 55.0° |
| C19 | C20 | C15 | C16 | 5.7° | 6.1° |
| C20 | C19 | C18 | H12 | 99.8° | 64.8° |
| C20 | C19 | H13 | H14 | 116.5° | 119.5° |
| C19 | C20 | C21 | H16 | 180.0° | 34.4° |
| C19 | C20 | C21 | H17 | 60.0° | 154.4° |
| C19 | C20 | C21 | H18 | 60.0° | 85.6° |
| C20 | C15 | C14 | C13 | 112.3° | 76.0° |
| C15 | C20 | C19 | C18 | 13.5° | 22.3° |
| C20 | C15 | C14 | O1 | 61.0° | 65.5° |
| C20 | C15 | C14 | C16 | 129.0° | 152.1° |
| C20 | C15 | O1 | C16 | 101.7° | 111.1° |
| C20 | C15 | C16 | C17 | 33.7° | 22.0° |
| C20 | C15 | C16 | C23 | 152.0° | 142.2° |
| C20 | C15 | C16 | C22 | 89.0° | 98.1° |
| C20 | C15 | C14 | H9 | 67.7° | 104.0° |
| C15 | C20 | C19 | H13 | 107.6° | 98.0° |
| C15 | C20 | C19 | H14 | 134.6° | 142.5° |
| C15 | C20 | C21 | H16 | 20.0° | 178.2° |
| C15 | C20 | C21 | H17 | 100.0° | 58.2° |
| C15 | C20 | C21 | H18 | 140.0° | 61.8° |
| O1 | C20 | C19 | C18 | 80.0° | 46.3° |
| O1 | C20 | C19 | H13 | 41.1° | 166.6° |
| O1 | C20 | C19 | H14 | 158.8° | 74.0° |
| O1 | C20 | C21 | H16 | 43.7° | 112.6° |
| O1 | C20 | C21 | H17 | 163.7° | 7.4° |
| O1 | C20 | C21 | H18 | 76.3° | 127.5° |
| C14 | C13 | C11 | H8 | 180.0° | 179.9° |
| C14 | C13 | C11 | C10 | 104.7° | 113.0° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C14 | C13 | C11 | C12 | 78.4° | 66.9° |
| C13 | C14 | C15 | O1 | 51.3° | 10.5° |
| C13 | C14 | C15 | C16 | 118.7° | 131.9° |
| C13 | C11 | C10 | C9 | 178.8° | 180.0° |
| C13 | C11 | C10 | C12 | 176.9° | 179.9° |
| C11 | C13 | C14 | C15 | 0.4° | 8.1° |
| C13 | C11 | C10 | H4 | 1.1° | 0.1° |
| C13 | C11 | C12 | H5 | 180.0° | 94.3° |
| C13 | C11 | C12 | H6 | 60.0° | 25.6° |
| C13 | C11 | C12 | H7 | 60.0° | 145.7° |
| C11 | C13 | C14 | H9 | 179.6° | 171.9° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.9° | 0.1° |
| C10 | C9 | C8 | H53 | 0.4° | 0.1° |
| C10 | C11 | C12 | H5 | 3.1° | 85.6° |
| C10 | C11 | C12 | H6 | 123.1° | 154.5° |
| C10 | C11 | C12 | H7 | 116.9° | 34.4° |
| C10 | C11 | C13 | H8 | 75.3° | 67.0° |
| C11 | C10 | C9 | H54 | 1.5° | 0.1° |
| C19 | C18 | O2 | C17 | 122.2° | 119.2° |
| C19 | C18 | O2 | H12 | 118.8° | 120.4° |
| C19 | C18 | C17 | H12 | 118.8° | 119.7° |
| C19 | C18 | C17 | C16 | 60.3° | 74.3° |
| C19 | C18 | C17 | H10 | 179.6° | 45.4° |
| C19 | C18 | C17 | H11 | 59.8° | 165.9° |
| C18 | C19 | H13 | H14 | 116.6° | 119.5° |
| C19 | C18 | O2 | H55 | 180.0° | 60.8° |
| C14 | C15 | O1 | C16 | 170.1° | 142.3° |
| C14 | C15 | C16 | C17 | 91.5° | 129.2° |
| C14 | C15 | C16 | C23 | 26.8° | 9.0° |
| C14 | C15 | C16 | C22 | 145.7° | 110.8° |
| C15 | C14 | C13 | H8 | 179.6° | 172.0° |
| O2 | C18 | C17 | H12 | 119.7° | 120.4° |
| O2 | C18 | C17 | C16 | 178.3° | 165.8° |
| O2 | C18 | C17 | H10 | 58.2° | 74.5° |
| O2 | C18 | C17 | H11 | 61.6° | 46.0° |
| O2 | C18 | C19 | H13 | 98.3° | 54.6° |
| O2 | C18 | C19 | H14 | 19.5° | 64.9° |
| C7 | C6 | C5 | H49 | 179.9° | 180.0° |
| C6 | C7 | H50 | H51 | 120.0° | 120.0° |
| C6 | C7 | H50 | H52 | 120.0° | 120.0° |
| C6 | C7 | H51 | H52 | 120.0° | 119.9° |
| C7 | C6 | C8 | H53 | 175.6° | 180.0° |
| C12 | C11 | C10 | H4 | 178.0° | 180.0° |
| C11 | C12 | H5 | H6 | 120.0° | 119.9° |
| C11 | C12 | H5 | H7 | 120.0° | 120.0° |
| C11 | C12 | H6 | H7 | 120.0° | 120.0° |
| C12 | C11 | C13 | H8 | 101.6° | 113.1° |
| C18 | C17 | C16 | C15 | 68.8° | 54.6° |
| C18 | C17 | C16 | H10 | 120.1° | 119.7° |
| C18 | C17 | C16 | H11 | 120.1° | 119.9° |
| C18 | C17 | C16 | C23 | 171.8° | 174.8° |
| C18 | C17 | C16 | C22 | 55.2° | 65.6° |
| C18 | C17 | H10 | H11 | 119.7° | 120.5° |
| C17 | C18 | C19 | H13 | 140.2° | 65.3° |
| C17 | C18 | C19 | H14 | 101.9° | 175.3° |
| C17 | C18 | O2 | H55 | 57.8° | 180.0° |
| O1 | C15 | C16 | C17 | 97.9° | 87.8° |
| O1 | C15 | C16 | C23 | 143.8° | 152.0° |
| O1 | C15 | C16 | C22 | 24.8° | 32.3° |
| O1 | C15 | C14 | H9 | 128.7° | 169.5° |
| C15 | C16 | C17 | C23 | 119.3° | 120.2° |
| C15 | C16 | C17 | C22 | 124.0° | 120.2° |
| C15 | C16 | C23 | C22 | 121.9° | 119.8° |
| C16 | C15 | C14 | H9 | 61.3° | 48.1° |
| C15 | C16 | C17 | H10 | 171.0° | 65.1° |
| C15 | C16 | C17 | H11 | 51.3° | 174.5° |
| C15 | C16 | C22 | H19 | 180.0° | 61.5° |
| C15 | C16 | C22 | H20 | 60.0° | 178.5° |
| C15 | C16 | C22 | H21 | 60.0° | 58.6° |
| C15 | C16 | C23 | H22 | 180.0° | 60.0° |
| C15 | C16 | C23 | H23 | 60.0° | 180.0° |
| C15 | C16 | C23 | H24 | 60.0° | 59.9° |
| C17 | C16 | C23 | C22 | 118.3° | 119.6° |
| C16 | C17 | H10 | H11 | 119.7° | 120.4° |
| C16 | C17 | C18 | H12 | 58.6° | 45.4° |
| C17 | C16 | C22 | H19 | 57.1° | 59.2° |
| C17 | C16 | C22 | H20 | 177.1° | 60.8° |
| C17 | C16 | C22 | H21 | 62.9° | 179.2° |
| C17 | C16 | C23 | H22 | 60.2° | 179.3° |
| C17 | C16 | C23 | H23 | 59.9° | 59.3° |
| C17 | C16 | C23 | H24 | 179.9° | 60.8° |
| C23 | C16 | C17 | H10 | 51.7° | 55.1° |
| C23 | C16 | C17 | H11 | 68.1° | 65.4° |
| C23 | C16 | C22 | H19 | 59.8° | 178.8° |
| C23 | C16 | C22 | H20 | 60.2° | 58.8° |
| C23 | C16 | C22 | H21 | 179.8° | 61.2° |
| C16 | C23 | H22 | H23 | 120.0° | 120.0° |
| C16 | C23 | H22 | H24 | 120.0° | 120.0° |
| C16 | C23 | H23 | H24 | 120.0° | 120.1° |
| C22 | C16 | C17 | H10 | 65.0° | 174.7° |
| C22 | C16 | C17 | H11 | 175.3° | 54.3° |
| C16 | C22 | H19 | H20 | 120.0° | 120.0° |
| C16 | C22 | H19 | H21 | 120.0° | 120.0° |
| C16 | C22 | H20 | H21 | 120.0° | 120.0° |
| C22 | C16 | C23 | H22 | 58.1° | 59.7° |
| C22 | C16 | C23 | H23 | 178.2° | 60.3° |
| C22 | C16 | C23 | H24 | 61.8° | 179.7° |
| H1 | C | H2 | H3 | 120.0° | 119.9° |
| H4 | C10 | C9 | H54 | 178.6° | 180.0° |
| H5 | C12 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | C14 | H9 | 0.4° | 8.0° |
| H10 | C17 | C18 | H12 | 61.5° | 165.2° |
| H11 | C17 | C18 | H12 | 178.7° | 74.4° |
| H12 | C18 | C19 | H13 | 21.3° | 175.0° |
| H12 | C18 | C19 | H14 | 139.2° | 55.5° |
| H12 | C18 | O2 | H55 | 61.2° | 59.6° |
| H15 | C2 | C3 | H31 | 174.8° | 180.0° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 119.9° |
| H22 | C23 | H23 | H24 | 120.0° | 120.0° |
| H25 | C24 | C25 | H26 | 178.7° | 180.0° |
| H26 | C25 | C26 | H27 | 144.8° | 180.0° |
| H28 | C28 | H29 | H30 | 120.0° | 120.0° |
| H31 | C3 | C4 | H42 | 179.9° | 180.0° |
| H33 | C33 | C34 | H35 | 53.8° | 171.2° |
| H34 | C33 | C34 | H35 | 173.4° | 68.4° |
| H35 | C34 | C35 | H36 | 146.7° | 170.0° |
| H35 | C34 | C35 | H37 | 27.9° | 50.4° |
| H35 | C34 | O4 | H56 | 60.9° | 59.5° |
| H39 | C37 | H40 | H41 | 120.0° | 120.0° |
| H42 | C4 | C5 | H49 | 174.3° | 179.9° |
| H43 | C40 | H44 | H45 | 119.9° | 120.0° |
| H46 | C41 | H47 | H48 | 120.0° | 120.0° |
| H50 | C7 | H51 | H52 | 120.0° | 120.1° |
| H53 | C8 | C9 | H54 | 179.7° | 180.0° |
