A1EYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C14 | doub | 1.31Å | 1.33Å | |
| C16 | C20 | sing | 1.51Å | 1.50Å | |
| C14 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C13 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C10 | doub | 1.31Å | 1.33Å | |
| C10 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C17 | sing | 1.51Å | 1.50Å | |
| C12 | C19 | doub | 1.34Å | 1.33Å | |
| C19 | C23 | sing | 1.42Å | 1.38Å | |
| C23 | C25 | doub | 1.36Å | 1.41Å | |
| C3 | C1 | sing | 1.53Å | 1.52Å | |
| C25 | C27 | sing | 1.41Å | 1.41Å | |
| C27 | C31 | doub | 1.36Å | 1.41Å | |
| C27 | C29 | sing | 1.51Å | 1.49Å | |
| C31 | C34 | sing | 1.40Å | 1.41Å | |
| C34 | C36 | doub | 1.38Å | 1.39Å | |
| C36 | C39 | sing | 1.40Å | 1.41Å | |
| C39 | C37 | doub | 1.38Å | 1.41Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C2 | C11 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C38 | C37 | sing | 1.40Å | 1.41Å | |
| C38 | C35 | doub | 1.38Å | 1.41Å | |
| C37 | C40 | sing | 1.51Å | 1.49Å | |
| C32 | C35 | sing | 1.40Å | 1.40Å | |
| C32 | C30 | doub | 1.38Å | 1.40Å | |
| C15 | C11 | doub | 1.34Å | 1.33Å | |
| C15 | C18 | sing | 1.42Å | 1.40Å | |
| C28 | C30 | sing | 1.40Å | 1.41Å | |
| C28 | C26 | doub | 1.36Å | 1.41Å | |
| C24 | C26 | sing | 1.40Å | 1.41Å | |
| C24 | C18 | doub | 1.36Å | 1.41Å | |
| C30 | C33 | sing | 1.51Å | 1.49Å | |
| C1 | C4 | sing | 1.53Å | 1.52Å | |
| C18 | C22 | sing | 1.51Å | 1.49Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.08Å | 1.08Å | |
| C32 | H38 | sing | 1.08Å | 1.08Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.08Å | 1.08Å | |
| C35 | H43 | sing | 1.08Å | 1.08Å | |
| C36 | H44 | sing | 1.08Å | 1.08Å | |
| C38 | H45 | sing | 1.08Å | 1.08Å | |
| C39 | H46 | sing | 1.08Å | 1.08Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H50 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C7 | H52 | sing | 1.09Å | 1.10Å | |
| C7 | H53 | sing | 1.09Å | 1.10Å | |
| C8 | H54 | sing | 1.09Å | 1.10Å | |
| C8 | H55 | sing | 1.09Å | 1.10Å | |
| C9 | H56 | sing | 1.09Å | 1.10Å | |
| C9 | H57 | sing | 1.09Å | 1.10Å | |
| O1 | H58 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C16 | C14 | 122.2° | 120.0° |
| C21 | C16 | C20 | 114.6° | 120.0° |
| C16 | C21 | H23 | 109.5° | 109.5° |
| C16 | C21 | H24 | 109.5° | 109.5° |
| C16 | C21 | H25 | 109.5° | 109.5° |
| C14 | C16 | C20 | 123.2° | 120.0° |
| C16 | C14 | C9 | 128.9° | 120.0° |
| C16 | C14 | H14 | 115.6° | 120.0° |
| C16 | C20 | H20 | 109.5° | 109.5° |
| C16 | C20 | H21 | 109.4° | 109.5° |
| C16 | C20 | H22 | 109.5° | 109.5° |
| C14 | C9 | C5 | 112.2° | 109.5° |
| C9 | C14 | H14 | 115.5° | 120.0° |
| C14 | C9 | H56 | 108.8° | 109.4° |
| C14 | C9 | H57 | 108.8° | 109.5° |
| C9 | C5 | C6 | 114.3° | 109.5° |
| C9 | C5 | H50 | 108.3° | 109.5° |
| C9 | C5 | H51 | 108.3° | 109.5° |
| C5 | C9 | H56 | 108.8° | 109.5° |
| C5 | C9 | H57 | 108.8° | 109.5° |
| C5 | C6 | C13 | 115.1° | 120.0° |
| C5 | C6 | C10 | 121.2° | 120.1° |
| C6 | C5 | H50 | 108.2° | 109.5° |
| C6 | C5 | H51 | 108.2° | 109.4° |
| C13 | C6 | C10 | 123.8° | 119.9° |
| C6 | C13 | H11 | 109.5° | 109.4° |
| C6 | C13 | H12 | 109.5° | 109.5° |
| C6 | C13 | H13 | 109.5° | 109.5° |
| C6 | C10 | C7 | 127.9° | 120.0° |
| C6 | C10 | H9 | 116.0° | 120.0° |
| C10 | C7 | C8 | 112.4° | 109.5° |
| C7 | C10 | H9 | 116.1° | 120.0° |
| C10 | C7 | H52 | 108.7° | 109.5° |
| C10 | C7 | H53 | 108.7° | 109.5° |
| C7 | C8 | C12 | 112.6° | 109.5° |
| C8 | C7 | H52 | 108.7° | 109.5° |
| C8 | C7 | H53 | 108.7° | 109.4° |
| C7 | C8 | H54 | 108.7° | 109.5° |
| C7 | C8 | H55 | 108.7° | 109.5° |
| C8 | C12 | C17 | 115.1° | 120.0° |
| C8 | C12 | C19 | 122.3° | 120.0° |
| C12 | C8 | H54 | 108.7° | 109.5° |
| C12 | C8 | H55 | 108.7° | 109.5° |
| C17 | C12 | C19 | 122.6° | 120.0° |
| C12 | C17 | H16 | 109.5° | 109.5° |
| C12 | C17 | H17 | 109.5° | 109.4° |
| C12 | C17 | H18 | 109.5° | 109.5° |
| C12 | C19 | C23 | 124.5° | 120.0° |
| C12 | C19 | H19 | 117.8° | 120.0° |
| C19 | C23 | C25 | 123.9° | 120.0° |
| C23 | C19 | H19 | 117.7° | 120.0° |
| C19 | C23 | H29 | 118.1° | 120.0° |
| C23 | C25 | C27 | 127.5° | 120.0° |
| C25 | C23 | H29 | 118.1° | 120.0° |
| C23 | C25 | H31 | 116.2° | 120.0° |
| C3 | C1 | O1 | 107.7° | 109.5° |
| C3 | C1 | C2 | 110.6° | 109.5° |
| C3 | C1 | C4 | 110.5° | 109.5° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.5° |
| C25 | C27 | C31 | 119.0° | 120.0° |
| C25 | C27 | C29 | 120.6° | 120.0° |
| C27 | C25 | H31 | 116.3° | 120.0° |
| C31 | C27 | C29 | 120.3° | 120.0° |
| C27 | C31 | C34 | 127.5° | 120.0° |
| C27 | C31 | H37 | 116.2° | 120.0° |
| C27 | C29 | H34 | 109.5° | 109.5° |
| C27 | C29 | H35 | 109.5° | 109.4° |
| C27 | C29 | H36 | 109.5° | 109.5° |
| C31 | C34 | C36 | 126.2° | 120.0° |
| C34 | C31 | H37 | 116.2° | 120.0° |
| C31 | C34 | H42 | 116.9° | 120.0° |
| C34 | C36 | C39 | 127.6° | 120.0° |
| C36 | C34 | H42 | 116.9° | 120.0° |
| C34 | C36 | H44 | 116.2° | 120.0° |
| C36 | C39 | C37 | 127.3° | 120.0° |
| C39 | C36 | H44 | 116.2° | 120.0° |
| C36 | C39 | H46 | 116.3° | 120.0° |
| C39 | C37 | C38 | 118.6° | 120.0° |
| C39 | C37 | C40 | 120.6° | 120.0° |
| C37 | C39 | H46 | 116.3° | 120.0° |
| O1 | C1 | C2 | 110.1° | 109.4° |
| O1 | C1 | C4 | 107.6° | 109.5° |
| C1 | O1 | H58 | 109.5° | 114.0° |
| C11 | C2 | C1 | 117.3° | 109.5° |
| C2 | C11 | C15 | 124.2° | 120.0° |
| C11 | C2 | H1 | 107.5° | 109.5° |
| C11 | C2 | H2 | 107.5° | 109.5° |
| C2 | C11 | H10 | 117.9° | 120.0° |
| C2 | C1 | C4 | 110.3° | 109.5° |
| C1 | C2 | H1 | 107.5° | 109.4° |
| C1 | C2 | H2 | 107.5° | 109.5° |
| C37 | C38 | C35 | 127.8° | 120.0° |
| C38 | C37 | C40 | 120.8° | 120.0° |
| C37 | C38 | H45 | 116.1° | 120.0° |
| C38 | C35 | C32 | 123.0° | 120.0° |
| C38 | C35 | H43 | 118.5° | 120.0° |
| C35 | C38 | H45 | 116.1° | 120.0° |
| C37 | C40 | H47 | 109.5° | 109.5° |
| C37 | C40 | H48 | 109.4° | 109.5° |
| C37 | C40 | H49 | 109.4° | 109.5° |
| C35 | C32 | C30 | 128.0° | 120.1° |
| C35 | C32 | H38 | 116.0° | 120.0° |
| C32 | C35 | H43 | 118.5° | 120.0° |
| C32 | C30 | C28 | 117.9° | 120.0° |
| C32 | C30 | C33 | 120.9° | 120.0° |
| C30 | C32 | H38 | 116.0° | 120.0° |
| C11 | C15 | C18 | 127.9° | 120.0° |
| C15 | C11 | H10 | 117.9° | 120.0° |
| C11 | C15 | H15 | 116.1° | 120.0° |
| C15 | C18 | C24 | 118.1° | 120.0° |
| C15 | C18 | C22 | 121.0° | 120.0° |
| C18 | C15 | H15 | 116.0° | 120.0° |
| C30 | C28 | C26 | 127.9° | 120.0° |
| C28 | C30 | C33 | 121.2° | 120.0° |
| C30 | C28 | H33 | 116.0° | 120.0° |
| C28 | C26 | C24 | 123.1° | 120.0° |
| C28 | C26 | H32 | 118.4° | 120.0° |
| C26 | C28 | H33 | 116.0° | 120.0° |
| C26 | C24 | C18 | 127.9° | 120.0° |
| C26 | C24 | H30 | 116.1° | 120.0° |
| C24 | C26 | H32 | 118.4° | 120.0° |
| C24 | C18 | C22 | 120.8° | 120.0° |
| C18 | C24 | H30 | 116.1° | 120.0° |
| C30 | C33 | H39 | 109.5° | 109.5° |
| C30 | C33 | H40 | 109.5° | 109.5° |
| C30 | C33 | H41 | 109.5° | 109.4° |
| C1 | C4 | H6 | 109.5° | 109.5° |
| C1 | C4 | H7 | 109.4° | 109.5° |
| C1 | C4 | H8 | 109.5° | 109.5° |
| C18 | C22 | H26 | 109.5° | 109.5° |
| C18 | C22 | H27 | 109.4° | 109.4° |
| C18 | C22 | H28 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H16 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H20 | C20 | H22 | 109.5° | 109.4° |
| H21 | C20 | H22 | 109.5° | 109.4° |
| H23 | C21 | H24 | 109.5° | 109.4° |
| H23 | C21 | H25 | 109.5° | 109.4° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H28 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.4° |
| H34 | C29 | H35 | 109.4° | 109.5° |
| H34 | C29 | H36 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.5° |
| H39 | C33 | H40 | 109.5° | 109.5° |
| H39 | C33 | H41 | 109.5° | 109.5° |
| H40 | C33 | H41 | 109.5° | 109.4° |
| H47 | C40 | H48 | 109.5° | 109.5° |
| H47 | C40 | H49 | 109.4° | 109.5° |
| H48 | C40 | H49 | 109.5° | 109.5° |
| H50 | C5 | H51 | 109.5° | 109.5° |
| H52 | C7 | H53 | 109.5° | 109.5° |
| H54 | C8 | H55 | 109.5° | 109.4° |
| H56 | C9 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C16 | C14 | C20 | 179.3° | 179.9° |
| C21 | C16 | C14 | C9 | 177.7° | 174.8° |
| C21 | C16 | C14 | H14 | 2.3° | 5.1° |
| C21 | C16 | C20 | H20 | 180.0° | 124.8° |
| C21 | C16 | C20 | H21 | 60.0° | 4.7° |
| C21 | C16 | C20 | H22 | 60.0° | 115.3° |
| C16 | C21 | H23 | H24 | 120.0° | 120.0° |
| C16 | C21 | H23 | H25 | 120.0° | 120.0° |
| C16 | C21 | H24 | H25 | 120.0° | 120.1° |
| C16 | C14 | C9 | H14 | 180.0° | 179.9° |
| C16 | C14 | C9 | C5 | 60.6° | 125.1° |
| C14 | C16 | C20 | H20 | 0.7° | 55.2° |
| C14 | C16 | C20 | H21 | 119.3° | 175.2° |
| C14 | C16 | C20 | H22 | 120.7° | 64.8° |
| C14 | C16 | C21 | H23 | 180.0° | 0.0° |
| C14 | C16 | C21 | H24 | 60.0° | 120.0° |
| C14 | C16 | C21 | H25 | 60.0° | 119.9° |
| C16 | C14 | C9 | H56 | 59.8° | 115.0° |
| C16 | C14 | C9 | H57 | 179.0° | 5.1° |
| C20 | C16 | C14 | C9 | 1.6° | 5.3° |
| C20 | C16 | C14 | H14 | 178.4° | 174.8° |
| C16 | C20 | H20 | H21 | 120.0° | 120.1° |
| C16 | C20 | H20 | H22 | 120.0° | 120.0° |
| C16 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C16 | C21 | H23 | 0.7° | 180.0° |
| C20 | C16 | C21 | H24 | 119.3° | 60.1° |
| C20 | C16 | C21 | H25 | 120.7° | 60.0° |
| C14 | C9 | C5 | H56 | 120.4° | 119.9° |
| C14 | C9 | C5 | H57 | 120.4° | 120.0° |
| C14 | C9 | C5 | C6 | 164.7° | NaN° |
| C14 | C9 | C5 | H50 | 44.0° | 60.0° |
| C14 | C9 | C5 | H51 | 74.5° | 60.0° |
| C14 | C9 | H56 | H57 | 118.8° | 120.0° |
| C9 | C5 | C6 | H50 | 120.7° | 120.0° |
| C9 | C5 | C6 | H51 | 120.7° | 120.0° |
| C9 | C5 | C6 | C13 | 64.8° | 85.0° |
| C9 | C5 | C6 | C10 | 115.3° | 94.9° |
| C5 | C9 | C14 | H14 | 119.4° | 54.8° |
| C9 | C5 | H50 | H51 | 117.8° | 120.0° |
| C5 | C9 | H56 | H57 | 118.7° | 120.0° |
| C5 | C6 | C13 | C10 | 179.9° | 180.0° |
| C5 | C6 | C10 | C7 | 177.9° | 174.6° |
| C5 | C6 | C10 | H9 | 2.1° | 5.4° |
| C5 | C6 | C13 | H11 | 180.0° | 4.8° |
| C5 | C6 | C13 | H12 | 60.0° | 115.2° |
| C5 | C6 | C13 | H13 | 60.0° | 124.8° |
| C6 | C5 | H50 | H51 | 117.8° | 120.0° |
| C6 | C5 | C9 | H56 | 74.9° | 60.1° |
| C6 | C5 | C9 | H57 | 44.3° | 60.0° |
| C13 | C6 | C10 | C7 | 1.9° | 5.3° |
| C13 | C6 | C10 | H9 | 178.1° | 174.6° |
| C6 | C13 | H11 | H12 | 120.0° | 120.0° |
| C6 | C13 | H11 | H13 | 120.0° | 120.0° |
| C6 | C13 | H12 | H13 | 120.0° | 120.0° |
| C13 | C6 | C5 | H50 | 55.9° | 35.0° |
| C13 | C6 | C5 | H51 | 174.5° | 155.0° |
| C6 | C10 | C7 | H9 | 180.0° | 180.0° |
| C6 | C10 | C7 | C8 | 126.5° | 125.1° |
| C10 | C6 | C13 | H11 | 0.2° | 175.2° |
| C10 | C6 | C13 | H12 | 120.2° | 64.8° |
| C10 | C6 | C13 | H13 | 119.9° | 55.3° |
| C10 | C6 | C5 | H50 | 123.9° | 145.0° |
| C10 | C6 | C5 | H51 | 5.4° | 25.0° |
| C6 | C10 | C7 | H52 | 113.0° | 114.9° |
| C6 | C10 | C7 | H53 | 6.1° | 5.2° |
| C10 | C7 | C8 | H52 | 120.5° | 120.0° |
| C10 | C7 | C8 | H53 | 120.4° | 120.0° |
| C10 | C7 | C8 | C12 | 66.3° | 180.0° |
| C10 | C7 | H52 | H53 | 118.6° | 120.0° |
| C10 | C7 | C8 | H54 | 173.2° | 60.0° |
| C10 | C7 | C8 | H55 | 54.1° | 60.0° |
| C7 | C8 | C12 | H54 | 120.5° | 120.0° |
| C7 | C8 | C12 | H55 | 120.4° | 120.0° |
| C7 | C8 | C12 | C17 | 60.7° | 85.0° |
| C7 | C8 | C12 | C19 | 119.2° | 95.0° |
| C8 | C7 | C10 | H9 | 53.5° | 54.9° |
| C8 | C7 | H52 | H53 | 118.7° | 120.0° |
| C7 | C8 | H54 | H55 | 118.6° | 120.0° |
| C8 | C12 | C17 | C19 | 179.9° | 180.0° |
| C8 | C12 | C19 | C23 | 179.3° | 180.0° |
| C8 | C12 | C17 | H16 | 180.0° | 90.0° |
| C8 | C12 | C17 | H17 | 60.0° | 30.0° |
| C8 | C12 | C17 | H18 | 60.0° | 150.0° |
| C8 | C12 | C19 | H19 | 0.6° | 0.0° |
| C12 | C8 | C7 | H52 | 54.1° | 60.0° |
| C12 | C8 | C7 | H53 | 173.3° | 60.0° |
| C12 | C8 | H54 | H55 | 118.6° | 120.0° |
| C17 | C12 | C19 | C23 | 0.6° | 0.1° |
| C12 | C17 | H16 | H17 | 120.0° | 120.0° |
| C12 | C17 | H16 | H18 | 120.0° | 120.0° |
| C12 | C17 | H17 | H18 | 120.0° | 120.0° |
| C17 | C12 | C19 | H19 | 179.4° | 180.0° |
| C17 | C12 | C8 | H54 | 59.8° | 35.0° |
| C17 | C12 | C8 | H55 | 178.8° | 155.0° |
| C12 | C19 | C23 | H19 | 180.0° | 179.9° |
| C12 | C19 | C23 | C25 | 179.5° | 180.0° |
| C19 | C12 | C17 | H16 | 0.1° | 90.0° |
| C19 | C12 | C17 | H17 | 119.9° | 150.0° |
| C19 | C12 | C17 | H18 | 120.1° | 30.1° |
| C12 | C19 | C23 | H29 | 0.5° | 0.0° |
| C19 | C12 | C8 | H54 | 120.3° | 144.9° |
| C19 | C12 | C8 | H55 | 1.2° | 25.0° |
| C19 | C23 | C25 | H29 | 180.0° | 179.9° |
| C19 | C23 | C25 | C27 | 178.6° | 180.0° |
| C19 | C23 | C25 | H31 | 1.4° | 0.0° |
| C23 | C25 | C27 | H31 | 180.0° | 180.0° |
| C23 | C25 | C27 | C31 | 179.6° | 180.0° |
| C23 | C25 | C27 | C29 | 0.3° | 0.0° |
| C25 | C23 | C19 | H19 | 0.5° | 0.0° |
| C3 | C1 | O1 | C2 | 120.6° | 120.0° |
| C3 | C1 | O1 | C4 | 119.2° | 120.0° |
| C3 | C1 | C2 | C11 | 61.8° | 175.0° |
| C3 | C1 | C2 | C4 | 122.6° | 120.1° |
| C3 | C1 | C2 | H1 | 59.3° | 55.0° |
| C3 | C1 | C2 | H2 | 177.1° | 65.0° |
| C1 | C3 | H3 | H4 | 120.0° | 120.0° |
| C1 | C3 | H3 | H5 | 120.0° | 120.0° |
| C1 | C3 | H4 | H5 | 120.0° | 119.9° |
| C3 | C1 | C4 | H6 | 180.0° | 180.0° |
| C3 | C1 | C4 | H7 | 60.0° | 59.9° |
| C3 | C1 | C4 | H8 | 60.0° | 60.0° |
| C3 | C1 | O1 | H58 | 180.0° | 60.0° |
| C25 | C27 | C31 | C29 | 179.3° | 179.9° |
| C25 | C27 | C31 | C34 | 177.1° | 180.0° |
| C27 | C25 | C23 | H29 | 1.4° | 0.0° |
| C25 | C27 | C29 | H34 | 180.0° | 90.0° |
| C25 | C27 | C29 | H35 | 60.0° | 150.0° |
| C25 | C27 | C29 | H36 | 60.0° | 30.0° |
| C25 | C27 | C31 | H37 | 2.9° | 0.1° |
| C27 | C31 | C34 | H37 | 180.0° | 179.9° |
| C27 | C31 | C34 | C36 | 179.1° | 180.0° |
| C31 | C27 | C25 | H31 | 0.4° | 0.1° |
| C31 | C27 | C29 | H34 | 0.7° | 90.0° |
| C31 | C27 | C29 | H35 | 119.2° | 30.0° |
| C31 | C27 | C29 | H36 | 120.8° | 150.0° |
| C27 | C31 | C34 | H42 | 1.0° | 0.1° |
| C29 | C27 | C31 | C34 | 2.1° | 0.1° |
| C29 | C27 | C25 | H31 | 179.7° | 180.0° |
| C27 | C29 | H34 | H35 | 120.0° | 120.0° |
| C27 | C29 | H34 | H36 | 120.0° | 120.0° |
| C27 | C29 | H35 | H36 | 120.0° | 120.0° |
| C29 | C27 | C31 | H37 | 177.8° | 180.0° |
| C31 | C34 | C36 | H42 | 180.0° | 179.9° |
| C31 | C34 | C36 | C39 | 177.7° | 180.0° |
| C31 | C34 | C36 | H44 | 2.3° | 0.1° |
| C34 | C36 | C39 | H44 | 180.0° | 179.9° |
| C34 | C36 | C39 | C37 | 178.9° | 180.0° |
| C36 | C34 | C31 | H37 | 0.9° | 0.1° |
| C34 | C36 | C39 | H46 | 1.2° | 0.1° |
| C36 | C39 | C37 | H46 | 180.0° | 180.0° |
| C36 | C39 | C37 | C38 | 177.2° | 180.0° |
| C36 | C39 | C37 | C40 | 2.1° | 0.0° |
| C39 | C36 | C34 | H42 | 2.2° | 0.1° |
| C39 | C37 | C38 | C40 | 179.4° | 180.0° |
| C39 | C37 | C38 | C35 | 179.8° | 180.0° |
| C37 | C39 | C36 | H44 | 1.1° | 0.0° |
| C39 | C37 | C38 | H45 | 0.3° | 0.0° |
| C39 | C37 | C40 | H47 | 180.0° | 90.0° |
| C39 | C37 | C40 | H48 | 60.0° | 30.0° |
| C39 | C37 | C40 | H49 | 60.0° | 150.0° |
| O1 | C1 | C2 | C11 | 179.3° | 65.0° |
| O1 | C1 | C2 | C4 | 118.5° | 120.0° |
| O1 | C1 | C2 | H1 | 59.6° | 175.0° |
| O1 | C1 | C2 | H2 | 58.2° | 55.0° |
| O1 | C1 | C3 | H3 | 180.0° | 60.0° |
| O1 | C1 | C3 | H4 | 60.0° | 60.0° |
| O1 | C1 | C3 | H5 | 60.0° | 179.9° |
| O1 | C1 | C4 | H6 | 62.7° | 60.0° |
| O1 | C1 | C4 | H7 | 177.3° | 60.1° |
| O1 | C1 | C4 | H8 | 57.3° | 180.0° |
| C11 | C2 | C1 | H1 | 121.1° | 120.0° |
| C11 | C2 | C1 | H2 | 121.1° | 120.0° |
| C2 | C11 | C15 | H10 | 180.0° | 180.0° |
| C2 | C11 | C15 | C18 | 179.8° | 180.0° |
| C11 | C2 | C1 | C4 | 60.8° | 55.0° |
| C11 | C2 | H1 | H2 | 116.5° | 120.0° |
| C2 | C11 | C15 | H15 | 0.3° | 0.1° |
| C1 | C2 | C11 | C15 | 176.3° | 125.0° |
| C1 | C2 | H1 | H2 | 116.5° | 120.0° |
| C2 | C1 | C3 | H3 | 59.7° | 180.0° |
| C2 | C1 | C3 | H4 | 60.3° | 60.0° |
| C2 | C1 | C3 | H5 | 179.7° | 60.0° |
| C2 | C1 | C4 | H6 | 57.4° | 60.0° |
| C2 | C1 | C4 | H7 | 62.6° | 180.0° |
| C2 | C1 | C4 | H8 | 177.4° | 60.0° |
| C1 | C2 | C11 | H10 | 3.7° | 55.0° |
| C2 | C1 | O1 | H58 | 59.3° | 180.0° |
| C37 | C38 | C35 | H45 | 180.0° | 180.0° |
| C37 | C38 | C35 | C32 | 179.9° | 180.0° |
| C37 | C38 | C35 | H43 | 0.1° | 0.0° |
| C38 | C37 | C39 | H46 | 2.7° | 0.0° |
| C38 | C37 | C40 | H47 | 0.6° | 90.1° |
| C38 | C37 | C40 | H48 | 120.6° | 150.0° |
| C38 | C37 | C40 | H49 | 119.4° | 29.9° |
| C35 | C38 | C37 | C40 | 0.9° | 0.0° |
| C38 | C35 | C32 | H43 | 180.0° | 180.0° |
| C38 | C35 | C32 | C30 | 178.0° | 180.0° |
| C38 | C35 | C32 | H38 | 2.0° | 0.1° |
| C40 | C37 | C38 | H45 | 179.1° | 180.0° |
| C40 | C37 | C39 | H46 | 177.9° | 180.0° |
| C37 | C40 | H47 | H48 | 120.0° | 120.0° |
| C37 | C40 | H47 | H49 | 120.0° | 120.0° |
| C37 | C40 | H48 | H49 | 120.0° | 120.0° |
| C35 | C32 | C30 | H38 | 180.0° | 179.9° |
| C35 | C32 | C30 | C28 | 179.1° | 180.0° |
| C35 | C32 | C30 | C33 | 0.5° | 0.0° |
| C32 | C35 | C38 | H45 | 0.1° | 0.0° |
| C32 | C30 | C28 | C33 | 179.6° | 180.0° |
| C32 | C30 | C28 | C26 | 177.7° | 180.0° |
| C32 | C30 | C28 | H33 | 2.3° | 0.0° |
| C32 | C30 | C33 | H39 | 180.0° | 90.0° |
| C32 | C30 | C33 | H40 | 60.0° | 30.0° |
| C32 | C30 | C33 | H41 | 60.0° | 150.0° |
| C30 | C32 | C35 | H43 | 2.0° | 0.0° |
| C11 | C15 | C18 | H15 | 180.0° | 179.9° |
| C11 | C15 | C18 | C24 | 179.6° | 179.9° |
| C11 | C15 | C18 | C22 | 0.7° | 0.0° |
| C15 | C11 | C2 | H1 | 62.6° | 5.0° |
| C15 | C11 | C2 | H2 | 55.2° | 115.0° |
| C15 | C18 | C24 | C26 | 178.1° | 180.0° |
| C15 | C18 | C24 | C22 | 179.7° | 179.9° |
| C18 | C15 | C11 | H10 | 0.3° | 0.0° |
| C15 | C18 | C22 | H26 | 180.0° | 90.0° |
| C15 | C18 | C22 | H27 | 60.0° | 150.0° |
| C15 | C18 | C22 | H28 | 60.0° | 30.0° |
| C15 | C18 | C24 | H30 | 1.9° | 0.1° |
| C30 | C28 | C26 | H33 | 180.0° | 179.9° |
| C30 | C28 | C26 | C24 | 178.5° | 180.0° |
| C30 | C28 | C26 | H32 | 1.5° | 0.1° |
| C28 | C30 | C32 | H38 | 0.9° | 0.0° |
| C28 | C30 | C33 | H39 | 0.4° | 89.9° |
| C28 | C30 | C33 | H40 | 120.4° | 150.0° |
| C28 | C30 | C33 | H41 | 119.6° | 30.1° |
| C28 | C26 | C24 | H32 | 180.0° | 179.9° |
| C28 | C26 | C24 | C18 | 177.8° | 180.0° |
| C26 | C28 | C30 | C33 | 2.7° | 0.1° |
| C28 | C26 | C24 | H30 | 2.2° | 0.1° |
| C26 | C24 | C18 | H30 | 180.0° | 179.9° |
| C26 | C24 | C18 | C22 | 1.6° | 0.1° |
| C24 | C26 | C28 | H33 | 1.5° | 0.1° |
| C24 | C18 | C15 | H15 | 0.4° | 0.0° |
| C24 | C18 | C22 | H26 | 0.3° | 90.0° |
| C24 | C18 | C22 | H27 | 119.7° | 30.1° |
| C24 | C18 | C22 | H28 | 120.4° | 150.0° |
| C18 | C24 | C26 | H32 | 2.2° | 0.1° |
| C33 | C30 | C28 | H33 | 177.2° | 180.0° |
| C33 | C30 | C32 | H38 | 179.5° | 179.9° |
| C30 | C33 | H39 | H40 | 120.0° | 120.0° |
| C30 | C33 | H39 | H41 | 120.0° | 120.0° |
| C30 | C33 | H40 | H41 | 120.0° | 120.0° |
| C4 | C1 | C2 | H1 | 178.1° | 65.1° |
| C4 | C1 | C2 | H2 | 60.3° | 175.0° |
| C4 | C1 | C3 | H3 | 62.8° | 60.0° |
| C4 | C1 | C3 | H4 | 177.2° | 180.0° |
| C4 | C1 | C3 | H5 | 57.2° | 60.1° |
| C1 | C4 | H6 | H7 | 120.0° | 120.1° |
| C1 | C4 | H6 | H8 | 120.0° | 120.0° |
| C1 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | C1 | O1 | H58 | 60.9° | 60.0° |
| C22 | C18 | C15 | H15 | 179.3° | 179.9° |
| C18 | C22 | H26 | H27 | 120.0° | 120.0° |
| C18 | C22 | H26 | H28 | 120.0° | 120.0° |
| C18 | C22 | H27 | H28 | 120.0° | 120.0° |
| C22 | C18 | C24 | H30 | 178.4° | 180.0° |
| H1 | C2 | C11 | H10 | 117.4° | 175.0° |
| H2 | C2 | C11 | H10 | 124.9° | 65.0° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H9 | C10 | C7 | H52 | 67.0° | 65.1° |
| H9 | C10 | C7 | H53 | 173.9° | 174.9° |
| H10 | C11 | C15 | H15 | 179.7° | 179.9° |
| H11 | C13 | H12 | H13 | 120.0° | 120.0° |
| H14 | C14 | C9 | H56 | 120.2° | 65.1° |
| H14 | C14 | C9 | H57 | 1.0° | 174.9° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
| H19 | C19 | C23 | H29 | 179.5° | 179.9° |
| H20 | C20 | H21 | H22 | 120.0° | 119.9° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
| H26 | C22 | H27 | H28 | 120.0° | 120.0° |
| H29 | C23 | C25 | H31 | 178.6° | 179.9° |
| H30 | C24 | C26 | H32 | 177.8° | 180.0° |
| H32 | C26 | C28 | H33 | 178.5° | 180.0° |
| H34 | C29 | H35 | H36 | 120.0° | 120.0° |
| H37 | C31 | C34 | H42 | 179.1° | 180.0° |
| H38 | C32 | C35 | H43 | 178.0° | 179.9° |
| H39 | C33 | H40 | H41 | 120.0° | 120.0° |
| H42 | C34 | C36 | H44 | 177.7° | 180.0° |
| H43 | C35 | C38 | H45 | 179.9° | 180.0° |
| H44 | C36 | C39 | H46 | 178.9° | 180.0° |
| H47 | C40 | H48 | H49 | 120.0° | 120.0° |
| H50 | C5 | C9 | H56 | 164.4° | 60.0° |
| H50 | C5 | C9 | H57 | 76.4° | 180.0° |
| H51 | C5 | C9 | H56 | 45.9° | 180.0° |
| H51 | C5 | C9 | H57 | 165.0° | 60.0° |
| H52 | C7 | C8 | H54 | 66.3° | 60.1° |
| H52 | C7 | C8 | H55 | 174.6° | NaN° |
| H53 | C7 | C8 | H54 | 52.8° | 179.9° |
| H53 | C7 | C8 | H55 | 66.3° | 60.0° |
