I7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2M | O2 | sing | 1.43Å | 1.42Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| O2 | C38 | sing | 1.43Å | 1.45Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | C35 | doub | 1.34Å | 1.50Å | |
| C35 | C33 | sing | 1.42Å | 1.51Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C33 | C32 | doub | 1.36Å | 1.33Å | |
| C32 | C31 | sing | 1.41Å | 1.44Å | |
| C31 | C30 | doub | 1.37Å | 1.38Å | |
| C30 | C28 | sing | 1.40Å | 1.41Å | |
| C28 | C27 | doub | 1.38Å | 1.40Å | |
| C28 | C29 | sing | 1.51Å | 1.48Å | |
| C27 | C26 | sing | 1.40Å | 1.38Å | |
| C18 | C17 | sing | 1.51Å | 1.48Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | |
| C25 | C23 | sing | 1.40Å | 1.40Å | |
| C13 | C12 | sing | 1.51Å | 1.48Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | |
| C22 | C21 | sing | 1.40Å | 1.38Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | |
| C20 | C19 | sing | 1.40Å | 1.38Å | |
| C23 | C24 | sing | 1.51Å | 1.48Å | |
| C17 | C19 | doub | 1.38Å | 1.40Å | |
| C17 | C16 | sing | 1.40Å | 1.40Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | |
| C15 | C14 | sing | 1.39Å | 1.38Å | |
| C12 | C14 | doub | 1.38Å | 1.40Å | |
| C12 | C11 | sing | 1.39Å | 1.40Å | |
| C8 | C7 | sing | 1.51Å | 1.48Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | |
| C10 | C9 | sing | 1.39Å | 1.38Å | |
| C7 | C9 | doub | 1.38Å | 1.34Å | |
| C7 | C6 | sing | 1.39Å | 1.48Å | |
| O6 | C6 | doub | 1.22Å | 1.22Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C1M | O1 | sing | 1.43Å | 1.41Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C1M | H27 | sing | 1.09Å | 1.10Å | |
| C1M | H28 | sing | 1.09Å | 1.10Å | |
| C1M | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | H31 | sing | 1.08Å | 1.08Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.08Å | 1.08Å | |
| C26 | H38 | sing | 1.08Å | 1.08Å | |
| C27 | H39 | sing | 1.08Å | 1.08Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C2M | H43 | sing | 1.09Å | 1.10Å | |
| C2M | H44 | sing | 1.09Å | 1.10Å | |
| C2M | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.08Å | 1.08Å | |
| C31 | H47 | sing | 1.08Å | 1.08Å | |
| C32 | H48 | sing | 1.08Å | 1.08Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.08Å | 1.08Å | |
| C36 | H54 | sing | 1.08Å | 1.08Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C9 | H64 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2M | O2 | C38 | 118.8° | 114.0° |
| O2 | C2M | H43 | 109.5° | 109.4° |
| O2 | C2M | H44 | 109.5° | 109.4° |
| O2 | C2M | H45 | 109.5° | 109.5° |
| C39 | C38 | O2 | 107.5° | 109.5° |
| C39 | C38 | C40 | 111.2° | 109.4° |
| C39 | C38 | C37 | 111.5° | 109.5° |
| C38 | C39 | H58 | 109.5° | 109.5° |
| C38 | C39 | H59 | 109.5° | 109.5° |
| C38 | C39 | H60 | 109.5° | 109.5° |
| O2 | C38 | C40 | 107.0° | 109.5° |
| O2 | C38 | C37 | 108.0° | 109.5° |
| C40 | C38 | C37 | 111.4° | 109.4° |
| C38 | C40 | H61 | 109.5° | 109.4° |
| C38 | C40 | H62 | 109.5° | 109.5° |
| C38 | C40 | H63 | 109.5° | 109.5° |
| C38 | C37 | C36 | 116.0° | 109.5° |
| C38 | C37 | H56 | 107.8° | 109.4° |
| C38 | C37 | H57 | 107.8° | 109.5° |
| C37 | C36 | C35 | 113.7° | 119.9° |
| C37 | C36 | H54 | 123.1° | 120.1° |
| C36 | C37 | H56 | 107.8° | 109.5° |
| C36 | C37 | H57 | 107.8° | 109.5° |
| C36 | C35 | C33 | 113.3° | 120.0° |
| C36 | C35 | H52 | 123.4° | 120.0° |
| C35 | C36 | H54 | 123.1° | 120.0° |
| C35 | C33 | C34 | 115.7° | 120.0° |
| C35 | C33 | C32 | 121.0° | 120.0° |
| C33 | C35 | H52 | 123.3° | 120.0° |
| C34 | C33 | C32 | 123.2° | 120.0° |
| C33 | C34 | H49 | 109.5° | 109.5° |
| C33 | C34 | H50 | 109.5° | 109.5° |
| C33 | C34 | H51 | 109.5° | 109.4° |
| C33 | C32 | C31 | 125.8° | 119.9° |
| C33 | C32 | H48 | 117.1° | 120.0° |
| C32 | C31 | C30 | 127.2° | 119.9° |
| C32 | C31 | H47 | 116.4° | 120.0° |
| C31 | C32 | H48 | 117.1° | 120.0° |
| C31 | C30 | C28 | 129.4° | 120.0° |
| C31 | C30 | H46 | 115.3° | 120.0° |
| C30 | C31 | H47 | 116.4° | 120.0° |
| C30 | C28 | C27 | 122.5° | 120.0° |
| C30 | C28 | C29 | 118.8° | 120.0° |
| C28 | C30 | H46 | 115.3° | 120.0° |
| C27 | C28 | C29 | 118.6° | 120.0° |
| C28 | C27 | C26 | 129.7° | 120.0° |
| C28 | C27 | H39 | 115.1° | 120.0° |
| C28 | C29 | H40 | 109.5° | 109.5° |
| C28 | C29 | H41 | 109.5° | 109.5° |
| C28 | C29 | H42 | 109.5° | 109.5° |
| C27 | C26 | C25 | 124.0° | 119.9° |
| C27 | C26 | H38 | 118.0° | 120.0° |
| C26 | C27 | H39 | 115.1° | 120.0° |
| C18 | C17 | C19 | 118.5° | 120.0° |
| C18 | C17 | C16 | 118.7° | 120.0° |
| C17 | C18 | H23 | 109.5° | 109.4° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C17 | C18 | H25 | 109.5° | 109.4° |
| C26 | C25 | C23 | 129.9° | 120.0° |
| C26 | C25 | H37 | 115.1° | 120.1° |
| C25 | C26 | H38 | 118.0° | 120.0° |
| C25 | C23 | C22 | 122.2° | 120.0° |
| C25 | C23 | C24 | 118.9° | 120.0° |
| C23 | C25 | H37 | 115.1° | 120.0° |
| C13 | C12 | C14 | 118.8° | 120.0° |
| C13 | C12 | C11 | 118.8° | 120.0° |
| C12 | C13 | H17 | 109.5° | 109.4° |
| C12 | C13 | H18 | 109.5° | 109.5° |
| C12 | C13 | H19 | 109.4° | 109.5° |
| C23 | C22 | C21 | 129.2° | 120.0° |
| C22 | C23 | C24 | 118.8° | 120.0° |
| C23 | C22 | H32 | 115.4° | 120.0° |
| C22 | C21 | C20 | 128.7° | 120.0° |
| C22 | C21 | H31 | 115.6° | 120.0° |
| C21 | C22 | H32 | 115.4° | 120.0° |
| C21 | C20 | C19 | 131.0° | 120.0° |
| C21 | C20 | H30 | 114.5° | 120.0° |
| C20 | C21 | H31 | 115.6° | 120.0° |
| C20 | C19 | C17 | 128.4° | 120.0° |
| C20 | C19 | H26 | 115.8° | 120.0° |
| C19 | C20 | H30 | 114.5° | 120.0° |
| C23 | C24 | H34 | 109.5° | 109.5° |
| C23 | C24 | H35 | 109.5° | 109.4° |
| C23 | C24 | H36 | 109.5° | 109.5° |
| C19 | C17 | C16 | 122.8° | 120.0° |
| C17 | C19 | H26 | 115.8° | 120.0° |
| C17 | C16 | C15 | 129.5° | 120.0° |
| C17 | C16 | H22 | 115.3° | 120.0° |
| C16 | C15 | C14 | 123.9° | 120.0° |
| C16 | C15 | H21 | 118.0° | 120.0° |
| C15 | C16 | H22 | 115.3° | 120.1° |
| C15 | C14 | C12 | 129.7° | 120.0° |
| C15 | C14 | H20 | 115.1° | 120.0° |
| C14 | C15 | H21 | 118.0° | 120.0° |
| C14 | C12 | C11 | 122.4° | 120.1° |
| C12 | C14 | H20 | 115.1° | 119.9° |
| C12 | C11 | C10 | 129.3° | 120.0° |
| C12 | C11 | H15 | 115.3° | 119.9° |
| C8 | C7 | C9 | 122.7° | 120.0° |
| C8 | C7 | C6 | 116.3° | 120.0° |
| C7 | C8 | H11 | 109.5° | 109.4° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.4° |
| C11 | C10 | C9 | 125.2° | 120.0° |
| C11 | C10 | H14 | 117.4° | 120.0° |
| C10 | C11 | H15 | 115.4° | 120.1° |
| C10 | C9 | C7 | 129.1° | 120.0° |
| C9 | C10 | H14 | 117.4° | 120.0° |
| C10 | C9 | H64 | 115.5° | 120.0° |
| C9 | C7 | C6 | 121.0° | 120.0° |
| C7 | C9 | H64 | 115.4° | 120.0° |
| C7 | C6 | O6 | 118.8° | 120.0° |
| C7 | C6 | C5 | 123.3° | 120.0° |
| O6 | C6 | C5 | 118.0° | 119.9° |
| C6 | C5 | C4 | 114.3° | 109.5° |
| C6 | C5 | H9 | 108.3° | 109.5° |
| C6 | C5 | H10 | 108.3° | 109.4° |
| C5 | C4 | C1 | 116.9° | 109.4° |
| C5 | C4 | H7 | 107.6° | 109.5° |
| C5 | C4 | H8 | 107.6° | 109.4° |
| C4 | C5 | H9 | 108.2° | 109.5° |
| C4 | C5 | H10 | 108.3° | 109.5° |
| C1M | O1 | C1 | 118.6° | 114.0° |
| O1 | C1M | H27 | 109.5° | 109.5° |
| O1 | C1M | H28 | 109.5° | 109.5° |
| O1 | C1M | H29 | 109.4° | 109.5° |
| O1 | C1 | C2 | 107.8° | 109.5° |
| O1 | C1 | C4 | 109.8° | 109.5° |
| O1 | C1 | C3 | 105.9° | 109.5° |
| C2 | C1 | C4 | 111.3° | 109.5° |
| C2 | C1 | C3 | 111.0° | 109.5° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C4 | C1 | C3 | 111.0° | 109.5° |
| C1 | C4 | H7 | 107.6° | 109.5° |
| C1 | C4 | H8 | 107.6° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.4° |
| C1 | C3 | H6 | 109.4° | 109.4° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| H11 | C8 | H12 | 109.4° | 109.5° |
| H11 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H17 | C13 | H19 | 109.5° | 109.4° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H25 | 109.4° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H27 | C1M | H28 | 109.5° | 109.5° |
| H27 | C1M | H29 | 109.5° | 109.5° |
| H28 | C1M | H29 | 109.5° | 109.4° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| H34 | C24 | H36 | 109.5° | 109.5° |
| H35 | C24 | H36 | 109.4° | 109.5° |
| H40 | C29 | H41 | 109.4° | 109.4° |
| H40 | C29 | H42 | 109.4° | 109.4° |
| H41 | C29 | H42 | 109.4° | 109.4° |
| H43 | C2M | H44 | 109.5° | 109.5° |
| H43 | C2M | H45 | 109.5° | 109.5° |
| H44 | C2M | H45 | 109.4° | 109.5° |
| H49 | C34 | H50 | 109.4° | 109.5° |
| H49 | C34 | H51 | 109.5° | 109.5° |
| H50 | C34 | H51 | 109.5° | 109.5° |
| H56 | C37 | H57 | 109.5° | 109.5° |
| H58 | C39 | H59 | 109.5° | 109.4° |
| H58 | C39 | H60 | 109.4° | 109.4° |
| H59 | C39 | H60 | 109.4° | 109.5° |
| H61 | C40 | H62 | 109.4° | 109.5° |
| H61 | C40 | H63 | 109.5° | 109.5° |
| H62 | C40 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2M | O2 | C38 | C39 | 61.8° | 60.0° |
| C2M | O2 | C38 | C40 | 57.7° | 60.0° |
| C2M | O2 | C38 | C37 | 177.8° | 180.0° |
| O2 | C2M | H43 | H44 | 120.0° | 119.9° |
| O2 | C2M | H43 | H45 | 120.0° | 120.0° |
| O2 | C2M | H44 | H45 | 120.0° | 120.0° |
| C39 | C38 | O2 | C40 | 119.6° | 120.0° |
| C39 | C38 | O2 | C37 | 120.4° | 120.0° |
| C39 | C38 | C40 | C37 | 125.0° | 120.0° |
| C39 | C38 | C37 | C36 | 171.9° | 175.0° |
| C39 | C38 | C37 | H56 | 51.0° | 65.0° |
| C39 | C38 | C37 | H57 | 67.2° | 54.9° |
| C38 | C39 | H58 | H59 | 120.0° | 120.0° |
| C38 | C39 | H58 | H60 | 120.0° | 120.0° |
| C38 | C39 | H59 | H60 | 120.0° | 120.0° |
| C39 | C38 | C40 | H61 | 180.0° | 180.0° |
| C39 | C38 | C40 | H62 | 60.0° | 60.0° |
| C39 | C38 | C40 | H63 | 60.0° | 60.0° |
| O2 | C38 | C40 | C37 | 117.9° | 120.0° |
| O2 | C38 | C37 | C36 | 54.0° | 65.0° |
| C38 | O2 | C2M | H43 | 180.0° | 60.0° |
| C38 | O2 | C2M | H44 | 60.0° | 59.9° |
| C38 | O2 | C2M | H45 | 60.0° | 179.9° |
| O2 | C38 | C37 | H56 | 66.9° | 55.0° |
| O2 | C38 | C37 | H57 | 175.0° | 175.0° |
| O2 | C38 | C39 | H58 | 180.0° | 60.0° |
| O2 | C38 | C39 | H59 | 60.0° | 60.0° |
| O2 | C38 | C39 | H60 | 60.0° | 180.0° |
| O2 | C38 | C40 | H61 | 62.9° | 60.0° |
| O2 | C38 | C40 | H62 | 177.2° | 60.0° |
| O2 | C38 | C40 | H63 | 57.1° | 180.0° |
| C40 | C38 | C37 | C36 | 63.3° | 55.1° |
| C40 | C38 | C37 | H56 | 175.8° | 175.0° |
| C40 | C38 | C37 | H57 | 57.7° | 65.0° |
| C40 | C38 | C39 | H58 | 63.1° | 60.0° |
| C40 | C38 | C39 | H59 | 176.8° | 180.0° |
| C40 | C38 | C39 | H60 | 56.9° | 60.0° |
| C38 | C40 | H61 | H62 | 120.0° | 120.0° |
| C38 | C40 | H61 | H63 | 120.0° | 120.0° |
| C38 | C40 | H62 | H63 | 120.0° | 120.0° |
| C38 | C37 | C36 | H56 | 120.9° | 119.9° |
| C38 | C37 | C36 | H57 | 121.0° | 120.0° |
| C38 | C37 | C36 | C35 | 178.0° | 125.1° |
| C38 | C37 | C36 | H54 | 2.0° | 54.9° |
| C38 | C37 | H56 | H57 | 117.0° | 120.0° |
| C37 | C38 | C39 | H58 | 61.8° | 180.0° |
| C37 | C38 | C39 | H59 | 58.2° | 60.0° |
| C37 | C38 | C39 | H60 | 178.2° | 60.0° |
| C37 | C38 | C40 | H61 | 55.0° | 60.0° |
| C37 | C38 | C40 | H62 | 65.0° | 180.0° |
| C37 | C38 | C40 | H63 | 175.0° | 60.0° |
| C37 | C36 | C35 | H54 | 180.0° | 180.0° |
| C37 | C36 | C35 | C33 | 176.0° | 180.0° |
| C37 | C36 | C35 | H52 | 4.0° | 0.1° |
| C36 | C37 | H56 | H57 | 117.0° | 120.1° |
| C36 | C35 | C33 | H52 | 180.0° | 179.9° |
| C36 | C35 | C33 | C34 | 47.3° | 0.0° |
| C36 | C35 | C33 | C32 | 132.4° | 180.0° |
| C35 | C36 | C37 | H56 | 61.1° | 115.0° |
| C35 | C36 | C37 | H57 | 57.0° | 5.0° |
| C35 | C33 | C34 | C32 | 179.6° | 180.0° |
| C35 | C33 | C32 | C31 | 169.8° | 180.0° |
| C35 | C33 | C32 | H48 | 10.2° | 0.0° |
| C35 | C33 | C34 | H49 | 180.0° | 89.9° |
| C35 | C33 | C34 | H50 | 60.0° | 30.0° |
| C35 | C33 | C34 | H51 | 60.0° | 150.0° |
| C33 | C35 | C36 | H54 | 4.1° | 0.0° |
| C34 | C33 | C32 | C31 | 10.6° | 0.0° |
| C34 | C33 | C32 | H48 | 169.4° | 180.0° |
| C33 | C34 | H49 | H50 | 120.0° | 120.0° |
| C33 | C34 | H49 | H51 | 120.0° | 120.0° |
| C33 | C34 | H50 | H51 | 120.0° | 120.0° |
| C34 | C33 | C35 | H52 | 132.7° | 180.0° |
| C33 | C32 | C31 | H48 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 172.8° | 180.0° |
| C33 | C32 | C31 | H47 | 7.2° | 0.0° |
| C32 | C33 | C34 | H49 | 0.4° | 90.1° |
| C32 | C33 | C34 | H50 | 120.4° | 150.0° |
| C32 | C33 | C34 | H51 | 119.7° | 30.0° |
| C32 | C33 | C35 | H52 | 47.6° | 0.1° |
| C32 | C31 | C30 | H47 | 180.0° | 179.9° |
| C32 | C31 | C30 | C28 | 178.3° | 180.0° |
| C32 | C31 | C30 | H46 | 1.7° | 0.0° |
| C31 | C30 | C28 | H46 | 180.0° | 180.0° |
| C31 | C30 | C28 | C27 | 169.0° | 180.0° |
| C31 | C30 | C28 | C29 | 10.0° | 0.0° |
| C30 | C31 | C32 | H48 | 7.2° | 0.0° |
| C30 | C28 | C27 | C29 | 179.0° | 179.9° |
| C30 | C28 | C27 | C26 | 179.0° | 180.0° |
| C30 | C28 | C27 | H39 | 1.0° | 0.1° |
| C30 | C28 | C29 | H40 | 180.0° | 90.0° |
| C30 | C28 | C29 | H41 | 60.0° | 30.0° |
| C30 | C28 | C29 | H42 | 60.0° | 150.0° |
| C28 | C30 | C31 | H47 | 1.7° | 0.1° |
| C28 | C27 | C26 | H39 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 172.9° | 180.0° |
| C28 | C27 | C26 | H38 | 7.1° | 0.0° |
| C27 | C28 | C29 | H40 | 1.0° | 89.9° |
| C27 | C28 | C29 | H41 | 121.0° | 150.1° |
| C27 | C28 | C29 | H42 | 119.0° | 30.1° |
| C27 | C28 | C30 | H46 | 11.0° | 0.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.1° |
| C29 | C28 | C27 | H39 | 179.9° | 180.0° |
| C28 | C29 | H40 | H41 | 120.0° | 120.1° |
| C28 | C29 | H40 | H42 | 120.0° | 120.0° |
| C28 | C29 | H41 | H42 | 120.0° | 120.0° |
| C29 | C28 | C30 | H46 | 170.0° | 180.0° |
| C27 | C26 | C25 | H38 | 180.0° | 180.0° |
| C27 | C26 | C25 | C23 | 178.7° | 180.0° |
| C27 | C26 | C25 | H37 | 1.3° | 0.0° |
| C18 | C17 | C19 | C20 | 1.0° | 0.0° |
| C18 | C17 | C19 | C16 | 179.3° | 180.0° |
| C18 | C17 | C16 | C15 | 7.4° | 0.0° |
| C18 | C17 | C16 | H22 | 172.6° | 180.0° |
| C17 | C18 | H23 | H24 | 120.0° | 120.0° |
| C17 | C18 | H23 | H25 | 120.0° | 120.0° |
| C17 | C18 | H24 | H25 | 120.0° | 120.0° |
| C18 | C17 | C19 | H26 | 179.0° | 180.0° |
| C26 | C25 | C23 | H37 | 180.0° | 180.0° |
| C26 | C25 | C23 | C22 | 165.2° | 180.0° |
| C26 | C25 | C23 | C24 | 12.9° | 0.0° |
| C25 | C26 | C27 | H39 | 7.1° | 0.0° |
| C25 | C23 | C22 | C24 | 178.1° | 180.0° |
| C25 | C23 | C22 | C21 | 177.8° | 180.0° |
| C25 | C23 | C22 | H32 | 2.2° | 0.0° |
| C25 | C23 | C24 | H34 | 180.0° | 89.9° |
| C25 | C23 | C24 | H35 | 60.0° | 30.0° |
| C25 | C23 | C24 | H36 | 60.0° | 150.0° |
| C23 | C25 | C26 | H38 | 1.3° | 0.0° |
| C13 | C12 | C14 | C15 | 4.0° | 0.0° |
| C13 | C12 | C14 | C11 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 2.8° | 0.0° |
| C13 | C12 | C11 | H15 | 177.2° | 180.0° |
| C12 | C13 | H17 | H18 | 120.0° | 120.0° |
| C12 | C13 | H17 | H19 | 120.0° | 120.0° |
| C12 | C13 | H18 | H19 | 120.0° | 120.0° |
| C13 | C12 | C14 | H20 | 176.0° | 180.0° |
| C23 | C22 | C21 | H32 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 166.8° | 180.0° |
| C23 | C22 | C21 | H31 | 13.1° | 0.0° |
| C22 | C23 | C24 | H34 | 1.9° | 90.1° |
| C22 | C23 | C24 | H35 | 121.9° | 150.0° |
| C22 | C23 | C24 | H36 | 118.1° | 30.0° |
| C22 | C23 | C25 | H37 | 14.8° | 0.0° |
| C22 | C21 | C20 | H31 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 179.3° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C20 | H30 | 0.8° | 0.0° |
| C21 | C20 | C19 | H30 | 180.0° | 180.0° |
| C21 | C20 | C19 | C17 | 168.3° | 180.0° |
| C21 | C20 | C19 | H26 | 11.7° | 0.0° |
| C20 | C21 | C22 | H32 | 13.1° | 0.0° |
| C20 | C19 | C17 | H26 | 180.0° | 180.0° |
| C20 | C19 | C17 | C16 | 178.3° | 180.0° |
| C19 | C20 | C21 | H31 | 0.7° | 0.0° |
| C24 | C23 | C22 | H32 | 179.8° | 180.0° |
| C23 | C24 | H34 | H35 | 120.0° | 119.9° |
| C23 | C24 | H34 | H36 | 120.0° | 120.0° |
| C23 | C24 | H35 | H36 | 120.0° | 120.0° |
| C24 | C23 | C25 | H37 | 167.1° | 180.0° |
| C19 | C17 | C16 | C15 | 171.9° | 180.0° |
| C19 | C17 | C16 | H22 | 8.1° | 0.0° |
| C19 | C17 | C18 | H23 | 180.0° | 90.0° |
| C19 | C17 | C18 | H24 | 60.0° | 150.0° |
| C19 | C17 | C18 | H25 | 60.0° | 30.0° |
| C17 | C19 | C20 | H30 | 11.7° | 0.0° |
| C17 | C16 | C15 | H22 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 177.5° | 180.0° |
| C17 | C16 | C15 | H21 | 2.5° | 0.0° |
| C16 | C17 | C18 | H23 | 0.7° | 90.0° |
| C16 | C17 | C18 | H24 | 119.3° | 30.0° |
| C16 | C17 | C18 | H25 | 120.7° | 150.0° |
| C16 | C17 | C19 | H26 | 1.7° | 0.0° |
| C16 | C15 | C14 | H21 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 173.8° | 180.0° |
| C16 | C15 | C14 | H20 | 6.2° | 0.0° |
| C15 | C14 | C12 | H20 | 180.0° | 180.0° |
| C15 | C14 | C12 | C11 | 175.5° | 180.0° |
| C14 | C15 | C16 | H22 | 2.4° | 0.1° |
| C14 | C12 | C11 | C10 | 176.6° | 180.0° |
| C14 | C12 | C11 | H15 | 3.4° | 0.0° |
| C14 | C12 | C13 | H17 | 180.0° | 90.0° |
| C14 | C12 | C13 | H18 | 60.0° | 150.0° |
| C14 | C12 | C13 | H19 | 60.0° | 30.0° |
| C12 | C14 | C15 | H21 | 6.2° | 0.0° |
| C12 | C11 | C10 | H15 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 179.5° | 180.0° |
| C12 | C11 | C10 | H14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H17 | 0.5° | 90.0° |
| C11 | C12 | C13 | H18 | 119.5° | 30.0° |
| C11 | C12 | C13 | H19 | 120.5° | 150.0° |
| C11 | C12 | C14 | H20 | 4.5° | 0.0° |
| C8 | C7 | C9 | C10 | 3.2° | 0.0° |
| C8 | C7 | C9 | C6 | 179.4° | 180.0° |
| C8 | C7 | C6 | O6 | 2.7° | 180.0° |
| C8 | C7 | C6 | C5 | 177.3° | 0.0° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| C7 | C8 | H11 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C8 | C7 | C9 | H64 | 176.8° | 180.0° |
| C11 | C10 | C9 | H14 | 180.0° | 180.0° |
| C11 | C10 | C9 | C7 | 178.8° | 180.0° |
| C11 | C10 | C9 | H64 | 1.2° | 0.0° |
| C10 | C9 | C7 | H64 | 180.0° | 180.0° |
| C10 | C9 | C7 | C6 | 176.2° | NaN° |
| C9 | C10 | C11 | H15 | 0.5° | 0.0° |
| C9 | C7 | C6 | O6 | 176.8° | 0.0° |
| C9 | C7 | C6 | C5 | 3.3° | 180.0° |
| C9 | C7 | C8 | H11 | 180.0° | 90.0° |
| C9 | C7 | C8 | H12 | 60.0° | 150.0° |
| C9 | C7 | C8 | H13 | 60.0° | 30.0° |
| C7 | C9 | C10 | H14 | 1.2° | 0.0° |
| C7 | C6 | O6 | C5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 171.6° | 180.0° |
| C7 | C6 | C5 | H9 | 50.9° | 60.0° |
| C7 | C6 | C5 | H10 | 67.7° | 60.0° |
| C6 | C7 | C8 | H11 | 0.6° | 90.0° |
| C6 | C7 | C8 | H12 | 120.6° | 30.0° |
| C6 | C7 | C8 | H13 | 119.4° | 150.0° |
| C6 | C7 | C9 | H64 | 3.8° | 0.0° |
| O6 | C6 | C5 | C4 | 8.4° | 0.0° |
| O6 | C6 | C5 | H9 | 129.1° | 120.0° |
| O6 | C6 | C5 | H10 | 112.3° | 120.0° |
| C6 | C5 | C4 | H9 | 120.7° | 120.0° |
| C6 | C5 | C4 | H10 | 120.7° | 120.0° |
| C6 | C5 | C4 | C1 | 76.8° | 180.0° |
| C6 | C5 | C4 | H7 | 44.3° | 60.0° |
| C6 | C5 | C4 | H8 | 162.1° | 60.0° |
| C6 | C5 | H9 | H10 | 117.8° | 119.9° |
| C5 | C4 | C1 | O1 | 81.5° | 65.0° |
| C5 | C4 | C1 | C2 | 37.7° | 55.0° |
| C5 | C4 | C1 | H7 | 121.1° | 120.0° |
| C5 | C4 | C1 | H8 | 121.0° | 119.9° |
| C5 | C4 | C1 | C3 | 161.8° | 175.0° |
| C5 | C4 | H7 | H8 | 116.6° | 120.0° |
| C4 | C5 | H9 | H10 | 117.8° | 120.0° |
| C1M | O1 | C1 | C2 | 60.2° | 60.0° |
| C1M | O1 | C1 | C4 | 178.5° | 180.0° |
| C1M | O1 | C1 | C3 | 58.6° | 60.0° |
| O1 | C1M | H27 | H28 | 120.0° | 120.0° |
| O1 | C1M | H27 | H29 | 120.0° | 120.0° |
| O1 | C1M | H28 | H29 | 120.0° | 120.0° |
| O1 | C1 | C2 | C4 | 120.4° | 120.0° |
| O1 | C1 | C2 | C3 | 115.5° | 120.0° |
| O1 | C1 | C4 | C3 | 116.7° | 120.0° |
| O1 | C1 | C2 | H1 | 180.0° | 179.9° |
| O1 | C1 | C2 | H2 | 60.0° | 60.0° |
| O1 | C1 | C2 | H3 | 60.0° | 60.0° |
| O1 | C1 | C3 | H4 | 180.0° | 60.0° |
| O1 | C1 | C3 | H5 | 60.0° | 180.0° |
| O1 | C1 | C3 | H6 | 60.0° | 60.0° |
| O1 | C1 | C4 | H7 | 39.6° | 175.0° |
| O1 | C1 | C4 | H8 | 157.4° | 55.0° |
| C1 | O1 | C1M | H27 | 180.0° | 180.0° |
| C1 | O1 | C1M | H28 | 60.0° | 60.0° |
| C1 | O1 | C1M | H29 | 60.0° | 60.0° |
| C2 | C1 | C4 | C3 | 124.1° | 120.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | C3 | H4 | 63.3° | 180.0° |
| C2 | C1 | C3 | H5 | 56.7° | 60.0° |
| C2 | C1 | C3 | H6 | 176.7° | 60.0° |
| C2 | C1 | C4 | H7 | 158.7° | 65.0° |
| C2 | C1 | C4 | H8 | 83.4° | 175.0° |
| C4 | C1 | C2 | H1 | 59.6° | 59.9° |
| C4 | C1 | C2 | H2 | 60.4° | 60.0° |
| C4 | C1 | C2 | H3 | 179.6° | 180.0° |
| C4 | C1 | C3 | H4 | 61.0° | 60.0° |
| C4 | C1 | C3 | H5 | 179.0° | 60.0° |
| C4 | C1 | C3 | H6 | 59.0° | 180.0° |
| C1 | C4 | H7 | H8 | 116.7° | 120.0° |
| C1 | C4 | C5 | H9 | 162.5° | 60.0° |
| C1 | C4 | C5 | H10 | 43.9° | 60.0° |
| C3 | C1 | C2 | H1 | 64.5° | 60.1° |
| C3 | C1 | C2 | H2 | 175.5° | 180.0° |
| C3 | C1 | C2 | H3 | 55.5° | 60.0° |
| C1 | C3 | H4 | H5 | 120.0° | 119.9° |
| C1 | C3 | H4 | H6 | 120.0° | 120.0° |
| C1 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C1 | C4 | H7 | 77.1° | 55.0° |
| C3 | C1 | C4 | H8 | 40.8° | 65.0° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H4 | C3 | H5 | H6 | 120.0° | 120.1° |
| H7 | C4 | C5 | H9 | 76.5° | 180.0° |
| H7 | C4 | C5 | H10 | 165.0° | 60.0° |
| H8 | C4 | C5 | H9 | 41.4° | 60.0° |
| H8 | C4 | C5 | H10 | 77.2° | 180.0° |
| H11 | C8 | H12 | H13 | 120.0° | 120.0° |
| H14 | C10 | C11 | H15 | 179.6° | 180.0° |
| H14 | C10 | C9 | H64 | 178.8° | 180.0° |
| H17 | C13 | H18 | H19 | 120.0° | 120.0° |
| H20 | C14 | C15 | H21 | 173.8° | 180.0° |
| H21 | C15 | C16 | H22 | 177.5° | 179.9° |
| H23 | C18 | H24 | H25 | 120.0° | 120.0° |
| H26 | C19 | C20 | H30 | 168.3° | 180.0° |
| H27 | C1M | H28 | H29 | 120.0° | 120.0° |
| H30 | C20 | C21 | H31 | 179.3° | 180.0° |
| H31 | C21 | C22 | H32 | 166.9° | 180.0° |
| H34 | C24 | H35 | H36 | 120.0° | 120.1° |
| H37 | C25 | C26 | H38 | 178.7° | 180.0° |
| H38 | C26 | C27 | H39 | 172.9° | 179.9° |
| H40 | C29 | H41 | H42 | 119.9° | 119.9° |
| H43 | C2M | H44 | H45 | 120.0° | 120.1° |
| H46 | C30 | C31 | H47 | 178.3° | 179.9° |
| H47 | C31 | C32 | H48 | 172.8° | 179.9° |
| H49 | C34 | H50 | H51 | 120.0° | 120.1° |
| H52 | C35 | C36 | H54 | 176.0° | 179.9° |
| H54 | C36 | C37 | H56 | 118.9° | 65.0° |
| H54 | C36 | C37 | H57 | 123.0° | 175.0° |
| H58 | C39 | H59 | H60 | 119.9° | 119.9° |
| H61 | C40 | H62 | H63 | 120.0° | 120.0° |
