A1EF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C9 | sing | 1.51Å | 1.50Å | |
| C6 | C1 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C4 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | doub | 1.31Å | 1.33Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C1 | C3 | doub | 1.31Å | 1.32Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.51Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.38Å | |
| C12 | C13 | sing | 1.51Å | 1.41Å | |
| C13 | C14 | doub | 1.34Å | 1.40Å | |
| C13 | C37 | sing | 1.51Å | 1.48Å | |
| C14 | C15 | sing | 1.42Å | 1.38Å | |
| C15 | C16 | doub | 1.36Å | 1.38Å | |
| C16 | C17 | sing | 1.41Å | 1.40Å | |
| C17 | C18 | doub | 1.37Å | 1.41Å | |
| C17 | C38 | sing | 1.51Å | 1.47Å | |
| C18 | C19 | sing | 1.40Å | 1.38Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | |
| C20 | C21 | sing | 1.40Å | 1.38Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | |
| C22 | C23 | sing | 1.40Å | 1.41Å | |
| C22 | C39 | sing | 1.51Å | 1.48Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | |
| C24 | C25 | sing | 1.40Å | 1.44Å | |
| C25 | C26 | doub | 1.36Å | 1.33Å | |
| C42 | C34 | sing | 1.51Å | 1.50Å | |
| C26 | C27 | sing | 1.41Å | 1.51Å | |
| C26 | C40 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.36Å | 1.51Å | |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | doub | 1.31Å | 1.32Å | |
| C33 | C32 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | sing | 1.42Å | 1.50Å | |
| C29 | C30 | doub | 1.34Å | 1.33Å | |
| C34 | C35 | sing | 1.51Å | 1.50Å | |
| C30 | C41 | sing | 1.51Å | 1.50Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | 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 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.08Å | 1.08Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C40 | H56 | sing | 1.09Å | 1.10Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C42 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C9 | C10 | 123.8° | 120.0° |
| C5 | C9 | C8 | 115.6° | 120.0° |
| C9 | C5 | H1 | 109.5° | 109.5° |
| C9 | C5 | H2 | 109.5° | 109.5° |
| C9 | C5 | H3 | 109.5° | 109.5° |
| C6 | C1 | C3 | 122.7° | 120.0° |
| C6 | C1 | C2 | 114.7° | 120.0° |
| C1 | C6 | H10 | 109.5° | 109.4° |
| C1 | C6 | H11 | 109.4° | 109.5° |
| C1 | C6 | H12 | 109.4° | 109.4° |
| C3 | C4 | C8 | 112.7° | 109.4° |
| C4 | C3 | C1 | 128.2° | 120.0° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C3 | C4 | H5 | 108.7° | 109.4° |
| C4 | C3 | H6 | 115.9° | 120.0° |
| C4 | C8 | C9 | 113.7° | 109.4° |
| C8 | C4 | H4 | 108.6° | 109.5° |
| C8 | C4 | H5 | 108.7° | 109.5° |
| C4 | C8 | H13 | 108.4° | 109.5° |
| C4 | C8 | H14 | 108.4° | 109.5° |
| C10 | C9 | C8 | 120.6° | 120.0° |
| C9 | C10 | C11 | 127.6° | 120.0° |
| C9 | C10 | H16 | 116.2° | 120.0° |
| C9 | C8 | H13 | 108.4° | 109.5° |
| C9 | C8 | H14 | 108.4° | 109.5° |
| C3 | C1 | C2 | 122.6° | 120.0° |
| C1 | C3 | H6 | 115.9° | 120.0° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.4° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| C10 | C11 | C12 | 127.2° | 109.4° |
| C11 | C10 | H16 | 116.2° | 120.0° |
| C10 | C11 | H17 | 104.9° | 109.5° |
| C10 | C11 | H15 | 104.9° | 109.5° |
| C11 | C12 | C13 | 129.1° | 109.5° |
| C12 | C11 | H17 | 104.9° | 109.5° |
| C11 | C12 | H18 | 104.3° | 109.5° |
| C11 | C12 | H19 | 104.4° | 109.5° |
| C12 | C11 | H15 | 104.9° | 109.4° |
| C12 | C13 | C14 | 123.5° | 120.0° |
| C12 | C13 | C37 | 118.4° | 120.0° |
| C13 | C12 | H18 | 104.4° | 109.4° |
| C13 | C12 | H19 | 104.4° | 109.5° |
| C14 | C13 | C37 | 118.1° | 120.0° |
| C13 | C14 | C15 | 129.0° | 120.0° |
| C13 | C14 | H20 | 115.5° | 120.0° |
| C13 | C37 | H45 | 109.5° | 109.4° |
| C13 | C37 | H46 | 109.5° | 109.4° |
| C13 | C37 | H47 | 109.5° | 109.4° |
| C14 | C15 | C16 | 125.0° | 120.0° |
| C15 | C14 | H20 | 115.5° | 120.0° |
| C14 | C15 | H21 | 117.5° | 120.0° |
| C15 | C16 | C17 | 129.5° | 120.0° |
| C16 | C15 | H21 | 117.5° | 120.0° |
| C15 | C16 | H22 | 115.2° | 120.0° |
| C16 | C17 | C18 | 122.7° | 120.0° |
| C16 | C17 | C38 | 118.5° | 120.0° |
| C17 | C16 | H22 | 115.2° | 120.0° |
| C18 | C17 | C38 | 118.8° | 120.0° |
| C17 | C18 | C19 | 130.3° | 120.0° |
| C17 | C18 | H24 | 114.9° | 120.0° |
| C17 | C38 | H48 | 109.5° | 109.5° |
| C17 | C38 | H49 | 109.5° | 109.5° |
| C17 | C38 | H50 | 109.4° | 109.5° |
| C18 | C19 | C20 | 126.8° | 120.0° |
| C19 | C18 | H24 | 114.9° | 120.0° |
| C18 | C19 | H25 | 116.6° | 120.0° |
| C19 | C20 | C21 | 133.4° | 120.0° |
| C20 | C19 | H25 | 116.6° | 120.1° |
| C19 | C20 | H26 | 113.3° | 120.0° |
| C20 | C21 | C22 | 129.0° | 120.0° |
| C21 | C20 | H26 | 113.3° | 120.0° |
| C20 | C21 | H27 | 115.5° | 120.0° |
| C21 | C22 | C23 | 122.9° | 120.0° |
| C21 | C22 | C39 | 118.7° | 120.0° |
| C22 | C21 | H27 | 115.5° | 120.0° |
| C23 | C22 | C39 | 118.5° | 120.0° |
| C22 | C23 | C24 | 129.9° | 120.0° |
| C22 | C23 | H29 | 115.0° | 120.0° |
| C22 | C39 | H51 | 109.5° | 109.5° |
| C22 | C39 | H52 | 109.5° | 109.5° |
| C22 | C39 | H53 | 109.5° | 109.5° |
| C23 | C24 | C25 | 123.5° | 120.0° |
| C24 | C23 | H29 | 115.1° | 120.0° |
| C23 | C24 | H30 | 118.2° | 120.0° |
| C24 | C25 | C26 | 131.5° | 120.0° |
| C25 | C24 | H30 | 118.2° | 120.0° |
| C24 | C25 | H31 | 114.3° | 120.0° |
| C25 | C26 | C27 | 119.0° | 120.0° |
| C25 | C26 | C40 | 124.9° | 120.0° |
| C26 | C25 | H31 | 114.3° | 120.0° |
| C42 | C34 | C33 | 122.5° | 120.0° |
| C42 | C34 | C35 | 114.7° | 120.0° |
| C34 | C42 | H60 | 109.5° | 109.5° |
| C34 | C42 | H61 | 109.5° | 109.4° |
| C34 | C42 | H62 | 109.4° | 109.5° |
| C27 | C26 | C40 | 116.1° | 120.0° |
| C26 | C27 | C28 | 118.4° | 120.0° |
| C26 | C27 | H32 | 120.8° | 120.0° |
| C26 | C40 | H54 | 109.5° | 109.4° |
| C26 | C40 | H55 | 109.4° | 109.4° |
| C26 | C40 | H56 | 109.5° | 109.4° |
| C27 | C28 | C29 | 107.7° | 120.0° |
| C28 | C27 | H32 | 120.8° | 120.0° |
| C27 | C28 | H34 | 126.2° | 120.0° |
| C30 | C31 | C32 | 117.4° | 109.5° |
| C31 | C30 | C29 | 120.1° | 120.0° |
| C31 | C30 | C41 | 115.7° | 120.0° |
| C30 | C31 | H37 | 107.5° | 109.5° |
| C30 | C31 | H38 | 107.4° | 109.5° |
| C31 | C32 | C33 | 110.9° | 109.5° |
| C32 | C31 | H37 | 107.4° | 109.5° |
| C32 | C31 | H38 | 107.5° | 109.5° |
| C31 | C32 | H39 | 109.1° | 109.5° |
| C31 | C32 | H40 | 109.1° | 109.4° |
| C34 | C33 | C32 | 128.7° | 120.0° |
| C33 | C34 | C35 | 122.8° | 120.0° |
| C34 | C33 | H41 | 115.6° | 120.0° |
| C33 | C32 | H39 | 109.1° | 109.5° |
| C33 | C32 | H40 | 109.1° | 109.5° |
| C32 | C33 | H41 | 115.6° | 120.0° |
| C28 | C29 | C30 | 129.7° | 120.0° |
| C29 | C28 | H34 | 126.1° | 120.0° |
| C28 | C29 | H36 | 115.1° | 120.0° |
| C29 | C30 | C41 | 124.1° | 120.0° |
| C30 | C29 | H36 | 115.2° | 120.0° |
| C34 | C35 | H42 | 109.5° | 109.5° |
| C34 | C35 | H43 | 109.5° | 109.5° |
| C34 | C35 | H44 | 109.5° | 109.5° |
| C30 | C41 | H57 | 109.5° | 109.5° |
| C30 | C41 | H58 | 109.4° | 109.5° |
| C30 | C41 | H59 | 109.4° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H7 | C2 | H9 | 109.4° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H12 | 109.5° | 109.6° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H17 | C11 | H15 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H42 | C35 | H43 | 109.4° | 109.5° |
| H42 | C35 | H44 | 109.5° | 109.4° |
| H43 | C35 | H44 | 109.5° | 109.5° |
| H45 | C37 | H46 | 109.5° | 109.5° |
| H45 | C37 | H47 | 109.5° | 109.5° |
| H46 | C37 | H47 | 109.4° | 109.5° |
| H48 | C38 | H49 | 109.5° | 109.5° |
| H48 | C38 | H50 | 109.4° | 109.5° |
| H49 | C38 | H50 | 109.5° | 109.4° |
| H51 | C39 | H52 | 109.5° | 109.5° |
| H51 | C39 | H53 | 109.5° | 109.4° |
| H52 | C39 | H53 | 109.5° | 109.5° |
| H54 | C40 | H55 | 109.5° | 109.5° |
| H54 | C40 | H56 | 109.5° | 109.5° |
| H55 | C40 | H56 | 109.5° | 109.5° |
| H57 | C41 | H58 | 109.5° | 109.4° |
| H57 | C41 | H59 | 109.5° | 109.5° |
| H58 | C41 | H59 | 109.5° | 109.5° |
| H60 | C42 | H61 | 109.4° | 109.5° |
| H60 | C42 | H62 | 109.5° | 109.5° |
| H61 | C42 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C9 | C8 | C4 | 2.6° | 85.0° |
| C5 | C9 | C10 | C8 | 178.6° | 180.0° |
| C5 | C9 | C10 | C11 | 16.6° | 5.0° |
| C9 | C5 | H1 | H2 | 120.0° | 120.0° |
| C9 | C5 | H1 | H3 | 120.0° | 120.1° |
| C9 | C5 | H2 | H3 | 120.0° | 120.0° |
| C5 | C9 | C8 | H13 | 123.3° | 155.0° |
| C5 | C9 | C8 | H14 | 118.0° | 35.0° |
| C5 | C9 | C10 | H16 | 163.4° | 174.8° |
| C6 | C1 | C3 | C4 | 0.5° | 178.0° |
| C6 | C1 | C3 | C2 | 179.8° | 179.8° |
| C6 | C1 | C3 | H6 | 179.5° | 1.9° |
| C6 | C1 | C2 | H7 | 180.0° | 95.2° |
| C6 | C1 | C2 | H8 | 60.0° | 24.7° |
| C6 | C1 | C2 | H9 | 60.0° | 144.8° |
| C1 | C6 | H10 | H11 | 120.0° | 120.0° |
| C1 | C6 | H10 | H12 | 120.0° | 120.0° |
| C1 | C6 | H11 | H12 | 120.0° | 119.9° |
| C3 | C4 | C8 | H4 | 120.5° | 120.0° |
| C3 | C4 | C8 | H5 | 120.5° | 120.0° |
| C3 | C4 | C8 | C9 | 176.8° | 180.0° |
| C4 | C3 | C1 | H6 | 180.0° | 179.9° |
| C4 | C3 | C1 | C2 | 179.7° | 1.8° |
| C3 | C4 | H4 | H5 | 118.5° | 120.0° |
| C3 | C4 | C8 | H13 | 56.2° | 60.0° |
| C3 | C4 | C8 | H14 | 62.6° | 60.0° |
| C4 | C8 | C9 | C10 | 178.7° | 95.0° |
| C4 | C8 | C9 | H13 | 120.7° | 120.0° |
| C4 | C8 | C9 | H14 | 120.6° | 120.0° |
| C8 | C4 | C3 | C1 | 179.4° | 119.3° |
| C8 | C4 | H4 | H5 | 118.6° | 120.1° |
| C8 | C4 | C3 | H6 | 0.6° | 60.8° |
| C4 | C8 | H13 | H14 | 118.0° | 120.0° |
| C9 | C10 | C11 | H16 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 170.5° | 122.4° |
| C10 | C9 | C5 | H1 | 180.0° | 62.9° |
| C10 | C9 | C5 | H2 | 60.0° | 177.1° |
| C10 | C9 | C5 | H3 | 60.0° | 57.1° |
| C10 | C9 | C8 | H13 | 58.0° | 25.0° |
| C10 | C9 | C8 | H14 | 60.7° | 145.0° |
| C9 | C10 | C11 | H17 | 48.2° | 117.6° |
| C9 | C10 | C11 | H15 | 67.2° | 2.5° |
| C8 | C9 | C10 | C11 | 164.8° | 175.0° |
| C8 | C9 | C5 | H1 | 1.3° | 117.1° |
| C8 | C9 | C5 | H2 | 121.3° | 2.9° |
| C8 | C9 | C5 | H3 | 118.7° | 122.9° |
| C9 | C8 | C4 | H4 | 62.7° | 60.0° |
| C9 | C8 | C4 | H5 | 56.3° | 60.0° |
| C9 | C8 | H13 | H14 | 118.1° | 120.0° |
| C8 | C9 | C10 | H16 | 15.2° | 5.2° |
| C1 | C3 | C4 | H4 | 59.0° | 120.7° |
| C1 | C3 | C4 | H5 | 60.1° | 0.6° |
| C3 | C1 | C2 | H7 | 0.2° | 84.6° |
| C3 | C1 | C2 | H8 | 120.2° | 155.5° |
| C3 | C1 | C2 | H9 | 119.8° | 35.4° |
| C3 | C1 | C6 | H10 | 180.0° | 90.0° |
| C3 | C1 | C6 | H11 | 60.0° | 150.0° |
| C3 | C1 | C6 | H12 | 60.0° | 30.1° |
| C2 | C1 | C3 | H6 | 0.3° | 178.3° |
| C1 | C2 | H7 | H8 | 120.0° | 119.9° |
| C1 | C2 | H7 | H9 | 120.0° | 120.0° |
| C1 | C2 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | C6 | H10 | 0.2° | 90.2° |
| C2 | C1 | C6 | H11 | 120.2° | 29.8° |
| C2 | C1 | C6 | H12 | 119.8° | 149.7° |
| C10 | C11 | C12 | H17 | 122.4° | 120.1° |
| C10 | C11 | C12 | H15 | 122.3° | 120.0° |
| C10 | C11 | C12 | C13 | 161.0° | 180.0° |
| C10 | C11 | H17 | H15 | 112.1° | 120.1° |
| C10 | C11 | C12 | H18 | 38.4° | 60.0° |
| C10 | C11 | C12 | H19 | 76.4° | 60.0° |
| C11 | C12 | C13 | H18 | 122.6° | 120.0° |
| C11 | C12 | C13 | H19 | 122.6° | 120.0° |
| C11 | C12 | C13 | C14 | 170.1° | 95.0° |
| C11 | C12 | C13 | C37 | 11.5° | 85.0° |
| C12 | C11 | C10 | H16 | 9.5° | 57.7° |
| C12 | C11 | H17 | H15 | 112.0° | 119.9° |
| C11 | C12 | H18 | H19 | 111.2° | 120.0° |
| C12 | C13 | C14 | C37 | 178.4° | 180.0° |
| C12 | C13 | C14 | C15 | 174.7° | 180.0° |
| C13 | C12 | C11 | H17 | 76.6° | 60.0° |
| C13 | C12 | H18 | H19 | 111.2° | 120.0° |
| C12 | C13 | C14 | H20 | 5.3° | 0.1° |
| C12 | C13 | C37 | H45 | 180.0° | 90.0° |
| C12 | C13 | C37 | H46 | 60.0° | 150.0° |
| C12 | C13 | C37 | H47 | 60.0° | 30.0° |
| C13 | C12 | C11 | H15 | 38.7° | 60.0° |
| C13 | C14 | C15 | H20 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 176.7° | 180.0° |
| C14 | C13 | C12 | H18 | 67.3° | 25.0° |
| C14 | C13 | C12 | H19 | 47.5° | 145.0° |
| C13 | C14 | C15 | H21 | 3.3° | 0.0° |
| C14 | C13 | C37 | H45 | 1.5° | 90.0° |
| C14 | C13 | C37 | H46 | 121.5° | 30.1° |
| C14 | C13 | C37 | H47 | 118.6° | 150.0° |
| C37 | C13 | C14 | C15 | 3.7° | 0.0° |
| C37 | C13 | C12 | H18 | 111.1° | 155.0° |
| C37 | C13 | C12 | H19 | 134.0° | 35.0° |
| C37 | C13 | C14 | H20 | 176.3° | 180.0° |
| C13 | C37 | H45 | H46 | 120.0° | 120.0° |
| C13 | C37 | H45 | H47 | 120.0° | 120.0° |
| C13 | C37 | H46 | H47 | 120.0° | 119.9° |
| C14 | C15 | C16 | H21 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 173.1° | 180.0° |
| C14 | C15 | C16 | H22 | 6.9° | 0.0° |
| C15 | C16 | C17 | H22 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 176.7° | 180.0° |
| C15 | C16 | C17 | C38 | 2.3° | 0.0° |
| C16 | C15 | C14 | H20 | 3.3° | 0.0° |
| C16 | C17 | C18 | C38 | 178.9° | 180.0° |
| C16 | C17 | C18 | C19 | 176.9° | 180.0° |
| C17 | C16 | C15 | H21 | 6.9° | 0.0° |
| C16 | C17 | C18 | H24 | 3.1° | 0.0° |
| C16 | C17 | C38 | H48 | 180.0° | 90.0° |
| C16 | C17 | C38 | H49 | 60.0° | 149.9° |
| C16 | C17 | C38 | H50 | 60.0° | 30.0° |
| C17 | C18 | C19 | H24 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 173.0° | 180.0° |
| C18 | C17 | C16 | H22 | 3.3° | 0.0° |
| C17 | C18 | C19 | H25 | 7.1° | 0.1° |
| C18 | C17 | C38 | H48 | 1.0° | 90.0° |
| C18 | C17 | C38 | H49 | 121.0° | 30.0° |
| C18 | C17 | C38 | H50 | 119.0° | 150.0° |
| C38 | C17 | C18 | C19 | 4.2° | 0.1° |
| C38 | C17 | C16 | H22 | 177.7° | 180.0° |
| C38 | C17 | C18 | H24 | 175.8° | 180.0° |
| C17 | C38 | H48 | H49 | 120.0° | 120.1° |
| C17 | C38 | H48 | H50 | 120.0° | 120.0° |
| C17 | C38 | H49 | H50 | 120.0° | 120.0° |
| C18 | C19 | C20 | H25 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 169.8° | 179.9° |
| C18 | C19 | C20 | H26 | 10.2° | 0.1° |
| C19 | C20 | C21 | H26 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 173.8° | 180.0° |
| C20 | C19 | C18 | H24 | 7.0° | 0.1° |
| C19 | C20 | C21 | H27 | 6.2° | 0.0° |
| C20 | C21 | C22 | H27 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 175.7° | 180.0° |
| C20 | C21 | C22 | C39 | 4.8° | 0.1° |
| C21 | C20 | C19 | H25 | 10.2° | 0.0° |
| C21 | C22 | C23 | C39 | 179.5° | 179.9° |
| C21 | C22 | C23 | C24 | 165.1° | 180.0° |
| C22 | C21 | C20 | H26 | 6.2° | 0.0° |
| C21 | C22 | C23 | H29 | 14.9° | 0.0° |
| C21 | C22 | C39 | H51 | 180.0° | 89.9° |
| C21 | C22 | C39 | H52 | 60.0° | 150.0° |
| C21 | C22 | C39 | H53 | 60.0° | 30.0° |
| C22 | C23 | C24 | H29 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 170.5° | 180.0° |
| C23 | C22 | C21 | H27 | 4.3° | 0.0° |
| C22 | C23 | C24 | H30 | 9.5° | 0.0° |
| C23 | C22 | C39 | H51 | 0.5° | 90.0° |
| C23 | C22 | C39 | H52 | 119.6° | 30.0° |
| C23 | C22 | C39 | H53 | 120.5° | 150.0° |
| C39 | C22 | C23 | C24 | 14.4° | 0.0° |
| C39 | C22 | C21 | H27 | 175.2° | 180.0° |
| C39 | C22 | C23 | H29 | 165.6° | 180.0° |
| C22 | C39 | H51 | H52 | 120.0° | 120.1° |
| C22 | C39 | H51 | H53 | 120.0° | 120.0° |
| C22 | C39 | H52 | H53 | 120.0° | 120.1° |
| C23 | C24 | C25 | H30 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 171.6° | 180.0° |
| C23 | C24 | C25 | H31 | 8.4° | 0.0° |
| C24 | C25 | C26 | H31 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 178.6° | 180.0° |
| C24 | C25 | C26 | C40 | 2.1° | 0.1° |
| C25 | C24 | C23 | H29 | 9.5° | 0.0° |
| C25 | C26 | C27 | C40 | 179.3° | 180.0° |
| C25 | C26 | C27 | C28 | 171.4° | 180.0° |
| C26 | C25 | C24 | H30 | 8.4° | 0.0° |
| C25 | C26 | C27 | H32 | 8.6° | 0.0° |
| C25 | C26 | C40 | H54 | 180.0° | 90.0° |
| C25 | C26 | C40 | H55 | 60.0° | 150.0° |
| C25 | C26 | C40 | H56 | 60.0° | 30.0° |
| C42 | C34 | C33 | C35 | 179.9° | 180.0° |
| C42 | C34 | C33 | C32 | 179.6° | 180.0° |
| C42 | C34 | C33 | H41 | 0.4° | 0.1° |
| C42 | C34 | C35 | H42 | 180.0° | 120.0° |
| C42 | C34 | C35 | H43 | 60.0° | 0.0° |
| C42 | C34 | C35 | H44 | 60.0° | 120.0° |
| C34 | C42 | H60 | H61 | 120.0° | 120.0° |
| C34 | C42 | H60 | H62 | 120.0° | 120.0° |
| C34 | C42 | H61 | H62 | 120.0° | 120.0° |
| C26 | C27 | C28 | H32 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 171.5° | 180.0° |
| C27 | C26 | C25 | H31 | 1.3° | 0.0° |
| C26 | C27 | C28 | H34 | 8.4° | 0.0° |
| C27 | C26 | C40 | H54 | 0.7° | 90.0° |
| C27 | C26 | C40 | H55 | 119.2° | 30.0° |
| C27 | C26 | C40 | H56 | 120.8° | 150.0° |
| C40 | C26 | C27 | C28 | 9.3° | 0.0° |
| C40 | C26 | C25 | H31 | 177.9° | 180.0° |
| C40 | C26 | C27 | H32 | 170.7° | 180.0° |
| C26 | C40 | H54 | H55 | 120.0° | 120.0° |
| C26 | C40 | H54 | H56 | 120.0° | 120.0° |
| C26 | C40 | H55 | H56 | 120.0° | 120.0° |
| C27 | C28 | C29 | H34 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 178.3° | 180.0° |
| C27 | C28 | C29 | H36 | 1.7° | 0.0° |
| C30 | C31 | C32 | H37 | 121.1° | 120.0° |
| C30 | C31 | C32 | H38 | 121.1° | 120.0° |
| C30 | C31 | C32 | C33 | 176.4° | NaN° |
| C31 | C30 | C29 | C28 | 176.4° | 180.0° |
| C31 | C30 | C29 | C41 | 180.0° | 180.0° |
| C31 | C30 | C29 | H36 | 3.6° | 0.0° |
| C30 | C31 | H37 | H38 | 116.4° | 120.0° |
| C30 | C31 | C32 | H39 | 56.2° | 60.0° |
| C30 | C31 | C32 | H40 | 63.4° | 60.0° |
| C31 | C30 | C41 | H57 | 180.0° | 90.0° |
| C31 | C30 | C41 | H58 | 60.0° | 30.0° |
| C31 | C30 | C41 | H59 | 60.0° | 150.0° |
| C31 | C32 | C33 | C34 | 178.6° | 125.0° |
| C31 | C32 | C33 | H39 | 120.2° | 120.0° |
| C31 | C32 | C33 | H40 | 120.2° | 119.9° |
| C32 | C31 | C30 | C29 | 174.8° | 95.0° |
| C32 | C31 | C30 | C41 | 5.2° | 85.0° |
| C32 | C31 | H37 | H38 | 116.4° | 120.0° |
| C31 | C32 | H39 | H40 | 119.3° | 119.9° |
| C31 | C32 | C33 | H41 | 1.4° | 55.0° |
| C34 | C33 | C32 | H41 | 180.0° | 180.0° |
| C34 | C33 | C32 | H39 | 58.3° | 5.0° |
| C34 | C33 | C32 | H40 | 61.2° | 115.1° |
| C33 | C34 | C35 | H42 | 0.0° | 60.0° |
| C33 | C34 | C35 | H43 | 119.9° | 180.0° |
| C33 | C34 | C35 | H44 | 120.1° | 60.0° |
| C33 | C34 | C42 | H60 | 180.0° | 90.0° |
| C33 | C34 | C42 | H61 | 60.0° | 150.0° |
| C33 | C34 | C42 | H62 | 60.0° | 30.0° |
| C32 | C33 | C34 | C35 | 0.3° | 0.0° |
| C33 | C32 | C31 | H37 | 62.5° | 60.0° |
| C33 | C32 | C31 | H38 | 55.2° | 60.0° |
| C33 | C32 | H39 | H40 | 119.4° | 120.0° |
| C28 | C29 | C30 | H36 | 180.0° | 180.0° |
| C28 | C29 | C30 | C41 | 3.6° | 0.0° |
| C29 | C28 | C27 | H32 | 8.5° | 0.0° |
| C30 | C29 | C28 | H34 | 1.7° | 0.0° |
| C29 | C30 | C31 | H37 | 64.1° | 145.0° |
| C29 | C30 | C31 | H38 | 53.6° | 25.0° |
| C29 | C30 | C41 | H57 | 0.0° | 90.0° |
| C29 | C30 | C41 | H58 | 120.0° | 150.1° |
| C29 | C30 | C41 | H59 | 120.0° | 30.0° |
| C35 | C34 | C33 | H41 | 179.7° | 180.0° |
| C34 | C35 | H42 | H43 | 120.0° | 120.0° |
| C34 | C35 | H42 | H44 | 120.0° | 120.0° |
| C34 | C35 | H43 | H44 | 120.0° | 120.0° |
| C35 | C34 | C42 | H60 | 0.0° | 90.0° |
| C35 | C34 | C42 | H61 | 119.9° | 30.0° |
| C35 | C34 | C42 | H62 | 120.1° | 150.0° |
| C41 | C30 | C29 | H36 | 176.4° | 180.0° |
| C41 | C30 | C31 | H37 | 115.9° | 35.0° |
| C41 | C30 | C31 | H38 | 126.4° | 155.0° |
| C30 | C41 | H57 | H58 | 120.0° | 120.0° |
| C30 | C41 | H57 | H59 | 120.0° | 120.1° |
| C30 | C41 | H58 | H59 | 120.0° | 120.1° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C3 | H6 | 121.0° | 59.2° |
| H4 | C4 | C8 | H13 | 176.6° | 180.0° |
| H4 | C4 | C8 | H14 | 57.9° | 60.0° |
| H5 | C4 | C3 | H6 | 119.9° | 179.2° |
| H5 | C4 | C8 | H13 | 64.3° | 59.9° |
| H5 | C4 | C8 | H14 | 177.0° | 179.9° |
| H7 | C2 | H8 | H9 | 120.0° | 120.0° |
| H10 | C6 | H11 | H12 | 120.0° | 120.1° |
| H16 | C10 | C11 | H17 | 131.8° | 62.3° |
| H16 | C10 | C11 | H15 | 112.8° | 177.6° |
| H17 | C11 | C12 | H18 | 160.8° | 180.0° |
| H17 | C11 | C12 | H19 | 45.9° | 60.0° |
| H18 | C12 | C11 | H15 | 83.9° | 60.0° |
| H19 | C12 | C11 | H15 | 161.2° | 180.0° |
| H20 | C14 | C15 | H21 | 176.7° | 179.9° |
| H21 | C15 | C16 | H22 | 173.1° | 180.0° |
| H24 | C18 | C19 | H25 | 173.0° | 180.0° |
| H25 | C19 | C20 | H26 | 169.8° | 180.0° |
| H26 | C20 | C21 | H27 | 173.8° | 180.0° |
| H29 | C23 | C24 | H30 | 170.5° | 180.0° |
| H30 | C24 | C25 | H31 | 171.6° | 180.0° |
| H32 | C27 | C28 | H34 | 171.6° | 180.0° |
| H34 | C28 | C29 | H36 | 178.3° | 180.0° |
| H37 | C31 | C32 | H39 | 177.3° | 180.0° |
| H37 | C31 | C32 | H40 | 57.7° | 60.0° |
| H38 | C31 | C32 | H39 | 65.0° | 60.0° |
| H38 | C31 | C32 | H40 | 175.5° | 180.0° |
| H39 | C32 | C33 | H41 | 121.6° | 175.0° |
| H40 | C32 | C33 | H41 | 118.8° | 65.0° |
| H42 | C35 | H43 | H44 | 120.0° | 120.0° |
| H45 | C37 | H46 | H47 | 120.0° | 120.1° |
| H48 | C38 | H49 | H50 | 120.0° | 120.0° |
| H51 | C39 | H52 | H53 | 120.0° | 119.9° |
| H54 | C40 | H55 | H56 | 120.0° | 120.1° |
| H57 | C41 | H58 | H59 | 120.0° | 120.0° |
| H60 | C42 | H61 | H62 | 120.0° | 120.0° |
