A1JPJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C1 | sing | 1.53Å | 1.54Å | |
| C34 | C9 | sing | 1.51Å | 1.48Å | |
| C32 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.50Å | 1.52Å | |
| C35 | C13 | sing | 1.51Å | 1.48Å | |
| C7 | C6 | sing | 1.42Å | 1.45Å | |
| C7 | C8 | doub | 1.36Å | 1.36Å | |
| C9 | C8 | sing | 1.41Å | 1.38Å | |
| C9 | C10 | doub | 1.36Å | 1.39Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C6 | C5 | doub | 1.32Å | 1.35Å | |
| C11 | C10 | sing | 1.40Å | 1.37Å | |
| C11 | C12 | doub | 1.38Å | 1.37Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.40Å | 1.39Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | |
| C5 | C4 | sing | 1.50Å | 1.50Å | |
| C5 | C33 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.40Å | 1.37Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | |
| C38 | C26 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.40Å | 1.37Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | |
| C19 | C18 | sing | 1.40Å | 1.40Å | |
| C19 | C20 | doub | 1.37Å | 1.37Å | |
| C21 | C20 | sing | 1.41Å | 1.38Å | |
| C21 | C22 | doub | 1.36Å | 1.40Å | |
| C18 | C36 | sing | 1.51Å | 1.48Å | |
| C26 | C25 | sing | 1.50Å | 1.52Å | |
| C26 | C27 | doub | 1.29Å | 1.33Å | |
| C23 | C22 | sing | 1.42Å | 1.40Å | |
| C23 | C24 | doub | 1.34Å | 1.33Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | C30 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.50Å | 1.49Å | |
| C22 | C37 | sing | 1.51Å | 1.48Å | |
| C40 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C39 | sing | 1.53Å | 1.54Å | |
| 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 | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C17 | H28 | sing | 1.08Å | 1.08Å | |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C39 | H55 | sing | 1.09Å | 1.10Å | |
| C40 | H56 | sing | 1.09Å | 1.10Å | |
| C40 | H57 | sing | 1.09Å | 1.10Å | |
| C40 | H58 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C1 | C32 | 108.3° | 109.3° |
| C31 | C1 | C2 | 108.8° | 109.4° |
| C31 | C1 | C6 | 109.5° | 109.4° |
| C1 | C31 | H15 | 109.5° | 109.5° |
| C1 | C31 | H16 | 109.5° | 109.4° |
| C1 | C31 | H17 | 109.5° | 109.5° |
| C34 | C9 | C8 | 121.6° | 119.9° |
| C34 | C9 | C10 | 117.3° | 120.0° |
| C9 | C34 | H21 | 109.5° | 109.5° |
| C9 | C34 | H22 | 109.5° | 109.4° |
| C9 | C34 | H23 | 109.5° | 109.5° |
| C32 | C1 | C2 | 108.0° | 109.3° |
| C32 | C1 | C6 | 110.1° | 109.3° |
| C1 | C32 | H18 | 109.5° | 109.5° |
| C1 | C32 | H19 | 109.4° | 109.5° |
| C1 | C32 | H20 | 109.4° | 109.5° |
| C2 | C1 | C6 | 112.1° | 110.1° |
| C1 | C2 | C3 | 112.7° | 108.5° |
| C1 | C2 | H1 | 108.7° | 109.6° |
| C1 | C2 | H2 | 108.7° | 109.6° |
| C1 | C6 | C7 | 113.1° | 118.1° |
| C1 | C6 | C5 | 121.9° | 123.7° |
| C35 | C13 | C12 | 118.7° | 120.0° |
| C35 | C13 | C14 | 118.7° | 120.0° |
| C13 | C35 | H41 | 109.5° | 109.4° |
| C13 | C35 | H42 | 109.5° | 109.5° |
| C13 | C35 | H43 | 109.4° | 109.4° |
| C6 | C7 | C8 | 129.6° | 120.0° |
| C7 | C6 | C5 | 124.8° | 118.1° |
| C6 | C7 | H7 | 115.2° | 120.0° |
| C7 | C8 | C9 | 125.9° | 120.1° |
| C8 | C7 | H7 | 115.2° | 119.9° |
| C7 | C8 | H8 | 117.0° | 120.0° |
| C8 | C9 | C10 | 121.1° | 120.0° |
| C9 | C8 | H8 | 117.1° | 120.0° |
| C9 | C10 | C11 | 128.1° | 120.0° |
| C9 | C10 | H10 | 115.9° | 120.0° |
| C2 | C3 | C4 | 109.4° | 108.6° |
| C3 | C2 | H1 | 108.7° | 109.7° |
| C3 | C2 | H2 | 108.7° | 109.7° |
| C2 | C3 | H3 | 109.5° | 109.6° |
| C2 | C3 | H4 | 109.5° | 109.6° |
| C6 | C5 | C4 | 121.1° | 123.7° |
| C6 | C5 | C33 | 127.0° | 118.2° |
| C10 | C11 | C12 | 125.3° | 120.0° |
| C11 | C10 | H10 | 116.0° | 120.0° |
| C10 | C11 | H11 | 117.3° | 120.0° |
| C11 | C12 | C13 | 128.2° | 120.0° |
| C12 | C11 | H11 | 117.4° | 120.0° |
| C11 | C12 | H24 | 115.9° | 120.0° |
| C3 | C4 | C5 | 113.4° | 110.1° |
| C4 | C3 | H3 | 109.5° | 109.6° |
| C4 | C3 | H4 | 109.5° | 109.7° |
| C3 | C4 | H5 | 108.5° | 109.4° |
| C3 | C4 | H6 | 108.5° | 109.4° |
| C12 | C13 | C14 | 122.6° | 120.0° |
| C13 | C12 | H24 | 115.9° | 120.0° |
| C13 | C14 | C15 | 127.9° | 120.0° |
| C13 | C14 | H25 | 116.0° | 120.0° |
| C4 | C5 | C33 | 111.8° | 118.1° |
| C5 | C4 | H5 | 108.4° | 109.4° |
| C5 | C4 | H6 | 108.5° | 109.2° |
| C5 | C33 | H12 | 109.5° | 109.5° |
| C5 | C33 | H13 | 109.4° | 109.4° |
| C5 | C33 | H14 | 109.4° | 109.4° |
| C14 | C15 | C16 | 130.9° | 120.0° |
| C15 | C14 | H25 | 116.1° | 120.0° |
| C14 | C15 | H26 | 114.6° | 120.0° |
| C15 | C16 | C17 | 128.0° | 120.0° |
| C16 | C15 | H26 | 114.5° | 120.0° |
| C15 | C16 | H27 | 116.0° | 120.0° |
| C38 | C26 | C25 | 116.1° | 117.9° |
| C38 | C26 | C27 | 121.5° | 118.0° |
| C26 | C38 | H50 | 109.5° | 109.5° |
| C26 | C38 | H51 | 109.5° | 109.5° |
| C26 | C38 | H52 | 109.5° | 109.5° |
| C16 | C17 | C18 | 128.8° | 120.0° |
| C17 | C16 | H27 | 116.0° | 120.0° |
| C16 | C17 | H28 | 115.6° | 120.0° |
| C17 | C18 | C19 | 122.3° | 120.0° |
| C17 | C18 | C36 | 118.7° | 120.0° |
| C18 | C17 | H28 | 115.6° | 120.0° |
| C18 | C19 | C20 | 129.2° | 120.0° |
| C19 | C18 | C36 | 118.9° | 120.0° |
| C18 | C19 | H30 | 115.4° | 120.1° |
| C19 | C20 | C21 | 124.6° | 120.0° |
| C20 | C19 | H30 | 115.4° | 120.0° |
| C19 | C20 | H31 | 117.7° | 120.0° |
| C20 | C21 | C22 | 128.7° | 120.0° |
| C21 | C20 | H31 | 117.7° | 120.0° |
| C20 | C21 | H32 | 115.7° | 120.0° |
| C21 | C22 | C23 | 121.6° | 120.0° |
| C21 | C22 | C37 | 117.4° | 120.1° |
| C22 | C21 | H32 | 115.6° | 120.0° |
| C18 | C36 | H44 | 109.5° | 109.5° |
| C18 | C36 | H45 | 109.4° | 109.4° |
| C18 | C36 | H46 | 109.5° | 109.5° |
| C25 | C26 | C27 | 122.5° | 124.1° |
| C26 | C25 | C24 | 108.9° | 109.4° |
| C26 | C25 | C30 | 114.3° | 110.1° |
| C26 | C25 | H35 | 107.4° | 109.3° |
| C26 | C27 | C28 | 124.4° | 124.1° |
| C26 | C27 | H36 | 117.8° | 118.0° |
| C22 | C23 | C24 | 122.9° | 120.0° |
| C23 | C22 | C37 | 120.9° | 120.0° |
| C22 | C23 | H33 | 118.6° | 120.0° |
| C23 | C24 | C25 | 128.3° | 120.0° |
| C24 | C23 | H33 | 118.5° | 120.0° |
| C23 | C24 | H34 | 115.9° | 120.0° |
| C24 | C25 | C30 | 111.3° | 109.3° |
| C25 | C24 | H34 | 115.9° | 120.1° |
| C24 | C25 | H35 | 107.6° | 109.4° |
| C25 | C30 | C40 | 109.7° | 109.6° |
| C25 | C30 | C29 | 110.9° | 108.4° |
| C25 | C30 | C39 | 109.4° | 109.6° |
| C30 | C25 | H35 | 107.1° | 109.3° |
| C27 | C28 | C29 | 110.6° | 110.2° |
| C28 | C27 | H36 | 117.8° | 118.0° |
| C27 | C28 | H37 | 109.2° | 109.3° |
| C27 | C28 | H38 | 109.2° | 109.4° |
| C22 | C37 | H47 | 109.5° | 109.4° |
| C22 | C37 | H48 | 109.5° | 109.5° |
| C22 | C37 | H49 | 109.5° | 109.5° |
| C40 | C30 | C29 | 109.7° | 109.7° |
| C40 | C30 | C39 | 108.3° | 109.8° |
| C30 | C40 | H56 | 109.5° | 109.5° |
| C30 | C40 | H57 | 109.5° | 109.5° |
| C30 | C40 | H58 | 109.4° | 109.5° |
| C28 | C29 | C30 | 112.5° | 108.4° |
| C29 | C28 | H37 | 109.2° | 109.3° |
| C29 | C28 | H38 | 109.2° | 109.2° |
| C28 | C29 | H39 | 108.7° | 109.7° |
| C28 | C29 | H40 | 108.7° | 109.6° |
| C29 | C30 | C39 | 108.7° | 109.6° |
| C30 | C29 | H39 | 108.7° | 109.6° |
| C30 | C29 | H40 | 108.7° | 109.7° |
| C30 | C39 | H53 | 109.5° | 109.5° |
| C30 | C39 | H54 | 109.5° | 109.5° |
| C30 | C39 | H55 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.8° |
| H3 | C3 | H4 | 109.5° | 109.8° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H12 | C33 | H13 | 109.5° | 109.4° |
| H12 | C33 | H14 | 109.5° | 109.5° |
| H13 | C33 | H14 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H15 | C31 | H17 | 109.4° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H18 | C32 | H19 | 109.5° | 109.4° |
| H18 | C32 | H20 | 109.5° | 109.5° |
| H19 | C32 | H20 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H23 | 109.5° | 109.5° |
| H22 | C34 | H23 | 109.4° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.4° |
| H39 | C29 | H40 | 109.5° | 109.8° |
| H41 | C35 | H42 | 109.4° | 109.5° |
| H41 | C35 | H43 | 109.5° | 109.5° |
| H42 | C35 | H43 | 109.5° | 109.5° |
| H44 | C36 | H45 | 109.5° | 109.5° |
| H44 | C36 | H46 | 109.5° | 109.5° |
| H45 | C36 | H46 | 109.5° | 109.5° |
| H47 | C37 | H48 | 109.5° | 109.5° |
| H47 | C37 | H49 | 109.4° | 109.5° |
| H48 | C37 | H49 | 109.5° | 109.5° |
| H50 | C38 | H51 | 109.5° | 109.5° |
| H50 | C38 | H52 | 109.5° | 109.5° |
| H51 | C38 | H52 | 109.5° | 109.5° |
| H53 | C39 | H54 | 109.4° | 109.5° |
| H53 | C39 | H55 | 109.5° | 109.5° |
| H54 | C39 | H55 | 109.5° | 109.5° |
| H56 | C40 | H57 | 109.5° | 109.5° |
| H56 | C40 | H58 | 109.5° | 109.5° |
| H57 | C40 | H58 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C1 | C32 | C2 | 117.7° | 119.7° |
| C31 | C1 | C32 | C6 | 119.6° | 119.7° |
| C31 | C1 | C2 | C6 | 121.2° | 120.2° |
| C31 | C1 | C6 | C7 | 74.6° | 77.0° |
| C31 | C1 | C2 | C3 | 76.0° | 70.4° |
| C31 | C1 | C6 | C5 | 100.0° | 102.9° |
| C31 | C1 | C2 | H1 | 44.5° | 49.3° |
| C31 | C1 | C2 | H2 | 163.5° | 169.9° |
| C1 | C31 | H15 | H16 | 120.0° | 119.9° |
| C1 | C31 | H15 | H17 | 120.0° | 120.1° |
| C1 | C31 | H16 | H17 | 120.0° | 120.0° |
| C31 | C1 | C32 | H18 | 180.0° | 65.0° |
| C31 | C1 | C32 | H19 | 60.0° | 54.9° |
| C31 | C1 | C32 | H20 | 60.0° | 175.0° |
| C34 | C9 | C8 | C7 | 3.7° | 0.0° |
| C34 | C9 | C8 | C10 | 180.0° | 180.0° |
| C34 | C9 | C10 | C11 | 1.5° | 0.0° |
| C34 | C9 | C8 | H8 | 176.3° | 180.0° |
| C34 | C9 | C10 | H10 | 178.5° | 180.0° |
| C9 | C34 | H21 | H22 | 120.0° | 120.0° |
| C9 | C34 | H21 | H23 | 120.0° | 120.0° |
| C9 | C34 | H22 | H23 | 120.0° | 120.0° |
| C32 | C1 | C2 | C6 | 121.4° | 120.1° |
| C32 | C1 | C6 | C7 | 44.4° | 42.7° |
| C32 | C1 | C2 | C3 | 166.6° | 170.0° |
| C32 | C1 | C6 | C5 | 141.1° | 137.4° |
| C32 | C1 | C2 | H1 | 72.9° | 70.3° |
| C32 | C1 | C2 | H2 | 46.1° | 50.3° |
| C32 | C1 | C31 | H15 | 180.0° | 179.7° |
| C32 | C1 | C31 | H16 | 60.0° | 60.4° |
| C32 | C1 | C31 | H17 | 60.0° | 59.6° |
| C1 | C32 | H18 | H19 | 120.0° | 120.0° |
| C1 | C32 | H18 | H20 | 120.0° | 120.0° |
| C1 | C32 | H19 | H20 | 120.0° | 120.0° |
| C2 | C1 | C6 | C7 | 164.6° | 162.8° |
| C1 | C2 | C3 | H1 | 120.5° | 119.7° |
| C1 | C2 | C3 | H2 | 120.5° | 119.7° |
| C2 | C1 | C6 | C5 | 20.9° | 17.3° |
| C1 | C2 | C3 | C4 | 60.2° | 68.2° |
| C1 | C2 | H1 | H2 | 118.5° | 120.5° |
| C1 | C2 | C3 | H3 | 59.8° | 51.5° |
| C1 | C2 | C3 | H4 | 179.8° | 172.0° |
| C2 | C1 | C31 | H15 | 62.8° | 60.1° |
| C2 | C1 | C31 | H16 | 177.2° | 180.0° |
| C2 | C1 | C31 | H17 | 57.2° | 60.0° |
| C2 | C1 | C32 | H18 | 62.3° | 54.6° |
| C2 | C1 | C32 | H19 | 57.7° | 174.6° |
| C2 | C1 | C32 | H20 | 177.7° | 65.4° |
| C1 | C6 | C7 | C5 | 174.4° | 179.9° |
| C1 | C6 | C7 | C8 | 171.9° | 123.6° |
| C6 | C1 | C2 | C3 | 45.2° | 49.9° |
| C1 | C6 | C5 | C4 | 12.6° | 0.5° |
| C1 | C6 | C5 | C33 | 168.3° | 179.5° |
| C6 | C1 | C2 | H1 | 165.7° | 169.6° |
| C6 | C1 | C2 | H2 | 75.3° | 69.8° |
| C1 | C6 | C7 | H7 | 8.1° | 56.4° |
| C6 | C1 | C31 | H15 | 60.0° | 60.6° |
| C6 | C1 | C31 | H16 | 60.0° | 59.3° |
| C6 | C1 | C31 | H17 | 180.0° | 179.3° |
| C6 | C1 | C32 | H18 | 60.4° | 175.2° |
| C6 | C1 | C32 | H19 | 179.6° | 64.8° |
| C6 | C1 | C32 | H20 | 59.7° | 55.2° |
| C35 | C13 | C12 | C11 | 10.2° | 0.0° |
| C35 | C13 | C12 | C14 | 179.7° | 179.9° |
| C35 | C13 | C14 | C15 | 2.2° | 0.1° |
| C35 | C13 | C12 | H24 | 169.8° | 180.0° |
| C35 | C13 | C14 | H25 | 177.9° | 180.0° |
| C13 | C35 | H41 | H42 | 120.0° | 120.0° |
| C13 | C35 | H41 | H43 | 120.0° | 120.0° |
| C13 | C35 | H42 | H43 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 177.2° | 177.9° |
| C7 | C6 | C5 | C4 | 173.5° | 179.6° |
| C7 | C6 | C5 | C33 | 5.6° | 0.4° |
| C6 | C7 | C8 | H8 | 2.8° | 2.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 176.3° | 180.0° |
| C8 | C7 | C6 | C5 | 13.8° | 56.4° |
| C8 | C9 | C10 | C11 | 178.5° | 180.0° |
| C9 | C8 | C7 | H7 | 2.8° | 2.1° |
| C8 | C9 | C10 | H10 | 1.5° | 0.0° |
| C8 | C9 | C34 | H21 | 180.0° | 90.0° |
| C8 | C9 | C34 | H22 | 60.0° | 150.0° |
| C8 | C9 | C34 | H23 | 60.0° | 30.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 171.1° | 180.0° |
| C10 | C9 | C8 | H8 | 3.8° | 0.0° |
| C9 | C10 | C11 | H11 | 8.9° | 0.0° |
| C10 | C9 | C34 | H21 | 0.0° | 90.0° |
| C10 | C9 | C34 | H22 | 120.0° | 30.0° |
| C10 | C9 | C34 | H23 | 120.0° | 150.0° |
| C2 | C3 | C4 | H3 | 120.0° | 119.7° |
| C2 | C3 | C4 | H4 | 120.0° | 119.7° |
| C2 | C3 | C4 | C5 | 49.9° | 49.8° |
| C3 | C2 | H1 | H2 | 118.5° | 120.5° |
| C2 | C3 | H3 | H4 | 120.0° | 120.4° |
| C2 | C3 | C4 | H5 | 170.4° | 170.1° |
| C2 | C3 | C4 | H6 | 70.7° | 70.2° |
| C6 | C5 | C4 | C3 | 27.0° | 17.2° |
| C6 | C5 | C4 | C33 | 179.2° | 180.0° |
| C6 | C5 | C4 | H5 | 147.6° | 137.4° |
| C6 | C5 | C4 | H6 | 93.6° | 102.9° |
| C5 | C6 | C7 | H7 | 166.2° | 123.6° |
| C6 | C5 | C33 | H12 | 180.0° | 174.8° |
| C6 | C5 | C33 | H13 | 60.0° | 65.2° |
| C6 | C5 | C33 | H14 | 60.0° | 54.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.6° | 180.0° |
| C10 | C11 | C12 | H24 | 1.4° | 0.0° |
| C11 | C12 | C13 | H24 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 170.1° | 180.0° |
| C12 | C11 | C10 | H10 | 8.9° | 0.0° |
| C3 | C4 | C5 | H5 | 120.6° | 120.2° |
| C3 | C4 | C5 | H6 | 120.6° | 120.1° |
| C3 | C4 | C5 | C33 | 153.8° | 162.8° |
| C4 | C3 | C2 | H1 | 179.3° | 172.1° |
| C4 | C3 | C2 | H2 | 60.3° | 51.5° |
| C4 | C3 | H3 | H4 | 120.0° | 120.5° |
| C3 | C4 | H5 | H6 | 118.2° | 119.8° |
| C12 | C13 | C14 | C15 | 178.1° | 180.0° |
| C13 | C12 | C11 | H11 | 1.4° | 0.0° |
| C12 | C13 | C14 | H25 | 1.8° | 0.0° |
| C12 | C13 | C35 | H41 | 180.0° | 90.0° |
| C12 | C13 | C35 | H42 | 60.0° | 150.0° |
| C12 | C13 | C35 | H43 | 60.0° | 30.0° |
| C13 | C14 | C15 | H25 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 174.6° | 179.9° |
| C14 | C13 | C12 | H24 | 9.9° | 0.0° |
| C13 | C14 | C15 | H26 | 5.3° | 0.0° |
| C14 | C13 | C35 | H41 | 0.3° | 90.0° |
| C14 | C13 | C35 | H42 | 120.3° | 30.0° |
| C14 | C13 | C35 | H43 | 119.7° | 150.0° |
| C5 | C4 | C3 | H3 | 70.2° | 69.9° |
| C5 | C4 | C3 | H4 | 169.8° | 169.6° |
| C5 | C4 | H5 | H6 | 118.2° | 119.6° |
| C4 | C5 | C33 | H12 | 0.8° | 5.2° |
| C4 | C5 | C33 | H13 | 119.2° | 114.7° |
| C4 | C5 | C33 | H14 | 120.8° | 125.2° |
| C33 | C5 | C4 | H5 | 33.2° | 42.6° |
| C33 | C5 | C4 | H6 | 85.6° | 77.0° |
| C5 | C33 | H12 | H13 | 120.0° | 120.0° |
| C5 | C33 | H12 | H14 | 120.0° | 120.0° |
| C5 | C33 | H13 | H14 | 120.0° | 120.0° |
| C14 | C15 | C16 | H26 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 178.1° | 179.9° |
| C14 | C15 | C16 | H27 | 1.9° | 0.0° |
| C15 | C16 | C17 | H27 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 177.3° | 180.0° |
| C16 | C15 | C14 | H25 | 5.3° | 0.0° |
| C15 | C16 | C17 | H28 | 2.7° | 0.1° |
| C38 | C26 | C25 | C27 | 178.9° | 180.0° |
| C38 | C26 | C25 | C24 | 53.0° | 42.7° |
| C38 | C26 | C25 | C30 | 178.1° | 162.8° |
| C38 | C26 | C27 | C28 | 175.5° | 179.5° |
| C38 | C26 | C25 | H35 | 63.2° | 77.0° |
| C38 | C26 | C27 | H36 | 4.5° | 0.5° |
| C26 | C38 | H50 | H51 | 120.0° | 120.0° |
| C26 | C38 | H50 | H52 | 120.0° | 120.0° |
| C26 | C38 | H51 | H52 | 120.0° | 120.0° |
| C16 | C17 | C18 | H28 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 174.0° | 179.9° |
| C16 | C17 | C18 | C36 | 4.3° | 0.0° |
| C17 | C16 | C15 | H26 | 1.9° | 0.1° |
| C17 | C18 | C19 | C36 | 178.3° | 179.9° |
| C17 | C18 | C19 | C20 | 178.9° | 180.0° |
| C18 | C17 | C16 | H27 | 2.7° | 0.1° |
| C17 | C18 | C19 | H30 | 1.1° | 0.1° |
| C17 | C18 | C36 | H44 | 180.0° | 90.0° |
| C17 | C18 | C36 | H45 | 60.0° | 150.0° |
| C17 | C18 | C36 | H46 | 60.0° | 30.1° |
| C18 | C19 | C20 | H30 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 172.3° | 180.0° |
| C19 | C18 | C17 | H28 | 6.0° | 0.0° |
| C18 | C19 | C20 | H31 | 7.7° | 0.0° |
| C19 | C18 | C36 | H44 | 1.7° | 90.0° |
| C19 | C18 | C36 | H45 | 118.3° | 30.0° |
| C19 | C18 | C36 | H46 | 121.7° | 150.0° |
| C19 | C20 | C21 | H31 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 179.4° | 180.0° |
| C20 | C19 | C18 | C36 | 2.8° | 0.1° |
| C19 | C20 | C21 | H32 | 0.6° | 0.0° |
| C20 | C21 | C22 | H32 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 171.3° | 180.0° |
| C20 | C21 | C22 | C37 | 9.1° | 0.0° |
| C21 | C20 | C19 | H30 | 7.7° | 0.0° |
| C21 | C22 | C23 | C37 | 179.6° | 180.0° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C22 | C21 | C20 | H31 | 0.6° | 0.0° |
| C21 | C22 | C23 | H33 | 0.1° | 0.0° |
| C21 | C22 | C37 | H47 | 180.0° | 90.0° |
| C21 | C22 | C37 | H48 | 60.0° | 150.0° |
| C21 | C22 | C37 | H49 | 60.0° | 30.0° |
| C36 | C18 | C17 | H28 | 175.7° | 180.0° |
| C36 | C18 | C19 | H30 | 177.2° | 180.0° |
| C18 | C36 | H44 | H45 | 120.0° | 120.0° |
| C18 | C36 | H44 | H46 | 120.0° | 120.0° |
| C18 | C36 | H45 | H46 | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 105.9° | 119.3° |
| C26 | C25 | C24 | C30 | 126.9° | 120.7° |
| C26 | C25 | C24 | H35 | 116.1° | 119.6° |
| C26 | C25 | C30 | H35 | 118.8° | 120.1° |
| C25 | C26 | C27 | C28 | 5.6° | 0.5° |
| C26 | C25 | C30 | C40 | 152.3° | 169.2° |
| C26 | C25 | C30 | C29 | 31.0° | 49.4° |
| C26 | C25 | C30 | C39 | 89.0° | 70.2° |
| C26 | C25 | C24 | H34 | 74.2° | 60.6° |
| C25 | C26 | C27 | H36 | 174.4° | 179.5° |
| C25 | C26 | C38 | H50 | 180.0° | 90.0° |
| C25 | C26 | C38 | H51 | 60.0° | 150.0° |
| C25 | C26 | C38 | H52 | 60.0° | 30.0° |
| C27 | C26 | C25 | C24 | 125.9° | 137.3° |
| C27 | C26 | C25 | C30 | 0.8° | 17.1° |
| C26 | C27 | C28 | H36 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 19.4° | 17.1° |
| C27 | C26 | C25 | H35 | 117.9° | 103.0° |
| C26 | C27 | C28 | H37 | 100.7° | 103.1° |
| C26 | C27 | C28 | H38 | 139.6° | 137.2° |
| C27 | C26 | C38 | H50 | 1.1° | 90.0° |
| C27 | C26 | C38 | H51 | 118.9° | 30.0° |
| C27 | C26 | C38 | H52 | 121.0° | 150.0° |
| C22 | C23 | C24 | H33 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 175.8° | 180.0° |
| C23 | C22 | C21 | H32 | 8.7° | 0.0° |
| C22 | C23 | C24 | H34 | 4.2° | 0.1° |
| C23 | C22 | C37 | H47 | 0.3° | 90.0° |
| C23 | C22 | C37 | H48 | 120.3° | 30.0° |
| C23 | C22 | C37 | H49 | 119.7° | 150.0° |
| C23 | C24 | C25 | H34 | 180.0° | 179.9° |
| C23 | C24 | C25 | C30 | 127.3° | 120.1° |
| C24 | C23 | C22 | C37 | 0.4° | 0.0° |
| C23 | C24 | C25 | H35 | 10.2° | 0.3° |
| C24 | C25 | C30 | H35 | 117.3° | 119.7° |
| C24 | C25 | C30 | C40 | 83.8° | 70.7° |
| C24 | C25 | C30 | C29 | 154.8° | 169.6° |
| C24 | C25 | C30 | C39 | 34.9° | 50.0° |
| C25 | C24 | C23 | H33 | 4.2° | 0.1° |
| C25 | C30 | C40 | C29 | 122.1° | 119.0° |
| C25 | C30 | C40 | C39 | 119.4° | 120.5° |
| C25 | C30 | C29 | C28 | 56.8° | 67.4° |
| C25 | C30 | C29 | C39 | 120.4° | 119.7° |
| C30 | C25 | C24 | H34 | 52.7° | 60.1° |
| C25 | C30 | C29 | H39 | 177.3° | 172.9° |
| C25 | C30 | C29 | H40 | 63.7° | 52.2° |
| C25 | C30 | C39 | H53 | 180.0° | 60.0° |
| C25 | C30 | C39 | H54 | 60.0° | 180.0° |
| C25 | C30 | C39 | H55 | 60.0° | 60.0° |
| C25 | C30 | C40 | H56 | 180.0° | 60.0° |
| C25 | C30 | C40 | H57 | 60.0° | 180.0° |
| C25 | C30 | C40 | H58 | 60.0° | 60.0° |
| C27 | C28 | C29 | H37 | 120.2° | 120.2° |
| C27 | C28 | C29 | H38 | 120.2° | 120.2° |
| C27 | C28 | C29 | C30 | 50.3° | 49.4° |
| C27 | C28 | H37 | H38 | 119.5° | 119.7° |
| C27 | C28 | C29 | H39 | 170.8° | 169.1° |
| C27 | C28 | C29 | H40 | 70.2° | 70.3° |
| C37 | C22 | C21 | H32 | 170.9° | 180.0° |
| C37 | C22 | C23 | H33 | 179.6° | 179.9° |
| C22 | C37 | H47 | H48 | 120.0° | 120.1° |
| C22 | C37 | H47 | H49 | 120.0° | 120.0° |
| C22 | C37 | H48 | H49 | 120.0° | 120.0° |
| C40 | C30 | C29 | C28 | 178.1° | 172.9° |
| C40 | C30 | C29 | C39 | 118.3° | 120.6° |
| C40 | C30 | C25 | H35 | 33.5° | 49.1° |
| C40 | C30 | C29 | H39 | 61.4° | 53.2° |
| C40 | C30 | C29 | H40 | 57.7° | 67.4° |
| C40 | C30 | C39 | H53 | 60.5° | 179.5° |
| C40 | C30 | C39 | H54 | 59.5° | 59.5° |
| C40 | C30 | C39 | H55 | 179.5° | 60.5° |
| C30 | C40 | H56 | H57 | 120.0° | 120.0° |
| C30 | C40 | H56 | H58 | 120.0° | 120.1° |
| C30 | C40 | H57 | H58 | 120.0° | 120.0° |
| C28 | C29 | C30 | H39 | 120.5° | 119.7° |
| C28 | C29 | C30 | H40 | 120.4° | 119.7° |
| C28 | C29 | C30 | C39 | 63.6° | 52.3° |
| C29 | C28 | C27 | H36 | 160.6° | 162.9° |
| C29 | C28 | H37 | H38 | 119.5° | 119.6° |
| C28 | C29 | H39 | H40 | 118.6° | 120.5° |
| C29 | C30 | C25 | H35 | 87.8° | 70.7° |
| C30 | C29 | C28 | H37 | 69.9° | 70.8° |
| C30 | C29 | C28 | H38 | 170.5° | 169.6° |
| C30 | C29 | H39 | H40 | 118.6° | 120.5° |
| C29 | C30 | C39 | H53 | 58.7° | 58.9° |
| C29 | C30 | C39 | H54 | 178.7° | 61.1° |
| C29 | C30 | C39 | H55 | 61.3° | 179.0° |
| C29 | C30 | C40 | H56 | 57.9° | 179.0° |
| C29 | C30 | C40 | H57 | 62.1° | 61.0° |
| C29 | C30 | C40 | H58 | 177.9° | 58.9° |
| C39 | C30 | C25 | H35 | 152.2° | 169.7° |
| C39 | C30 | C29 | H39 | 56.9° | 67.4° |
| C39 | C30 | C29 | H40 | 176.0° | 171.9° |
| C30 | C39 | H53 | H54 | 120.0° | 120.0° |
| C30 | C39 | H53 | H55 | 120.0° | 120.0° |
| C30 | C39 | H54 | H55 | 120.0° | 120.0° |
| C39 | C30 | C40 | H56 | 60.6° | 60.5° |
| C39 | C30 | C40 | H57 | 179.3° | 59.5° |
| C39 | C30 | C40 | H58 | 59.4° | 179.5° |
| H1 | C2 | C3 | H3 | 60.7° | 68.2° |
| H1 | C2 | C3 | H4 | 59.3° | 52.3° |
| H2 | C2 | C3 | H3 | 179.7° | 171.2° |
| H2 | C2 | C3 | H4 | 59.7° | 68.3° |
| H3 | C3 | C4 | H5 | 50.4° | 50.3° |
| H3 | C3 | C4 | H6 | 169.3° | 170.1° |
| H4 | C3 | C4 | H5 | 69.6° | 70.2° |
| H4 | C3 | C4 | H6 | 49.2° | 49.5° |
| H7 | C7 | C8 | H8 | 177.2° | 177.9° |
| H10 | C10 | C11 | H11 | 171.1° | 180.0° |
| H11 | C11 | C12 | H24 | 178.6° | 180.0° |
| H12 | C33 | H13 | H14 | 120.0° | 120.0° |
| H15 | C31 | H16 | H17 | 120.0° | 120.0° |
| H18 | C32 | H19 | H20 | 120.0° | 120.0° |
| H21 | C34 | H22 | H23 | 120.0° | 120.0° |
| H25 | C14 | C15 | H26 | 174.7° | 180.0° |
| H26 | C15 | C16 | H27 | 178.1° | 180.0° |
| H27 | C16 | C17 | H28 | 177.3° | 180.0° |
| H30 | C19 | C20 | H31 | 172.3° | 180.0° |
| H31 | C20 | C21 | H32 | 179.4° | 180.0° |
| H33 | C23 | C24 | H34 | 175.8° | 180.0° |
| H34 | C24 | C25 | H35 | 169.8° | 179.8° |
| H36 | C27 | C28 | H37 | 79.2° | 77.0° |
| H36 | C27 | C28 | H38 | 40.5° | 42.8° |
| H37 | C28 | C29 | H39 | 50.6° | 48.9° |
| H37 | C28 | C29 | H40 | 169.7° | 169.6° |
| H38 | C28 | C29 | H39 | 69.0° | 70.7° |
| H38 | C28 | C29 | H40 | 50.0° | 49.9° |
| H41 | C35 | H42 | H43 | 120.0° | 120.0° |
| H44 | C36 | H45 | H46 | 120.0° | 120.0° |
| H47 | C37 | H48 | H49 | 120.0° | 120.0° |
| H50 | C38 | H51 | H52 | 120.0° | 120.0° |
| H53 | C39 | H54 | H55 | 119.9° | 120.0° |
| H56 | C40 | H57 | H58 | 120.0° | 120.0° |
