RRX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.50Å | 1.52Å | |
| C33 | C5 | sing | 1.51Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | doub | 1.32Å | 1.39Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C6 | C1 | sing | 1.50Å | 1.57Å | |
| C6 | C7 | sing | 1.42Å | 1.49Å | |
| C1 | C32 | sing | 1.53Å | 1.54Å | |
| C1 | C31 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | doub | 1.36Å | 1.34Å | |
| C8 | C9 | sing | 1.41Å | 1.48Å | |
| C34 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | doub | 1.37Å | 1.36Å | |
| C10 | C11 | sing | 1.40Å | 1.44Å | |
| C11 | C12 | doub | 1.38Å | 1.34Å | |
| C12 | C13 | sing | 1.40Å | 1.48Å | |
| C35 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | doub | 1.38Å | 1.37Å | |
| C14 | C15 | sing | 1.40Å | 1.47Å | |
| C15 | C16 | doub | 1.38Å | 1.36Å | |
| C16 | C17 | sing | 1.40Å | 1.48Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | |
| C18 | C36 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.40Å | 1.46Å | |
| C19 | C20 | doub | 1.38Å | 1.33Å | |
| C20 | C21 | sing | 1.40Å | 1.47Å | |
| C21 | C22 | doub | 1.36Å | 1.35Å | |
| C22 | C37 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.41Å | 1.48Å | |
| C23 | C24 | doub | 1.36Å | 1.34Å | |
| C40 | C30 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.42Å | 1.48Å | |
| C25 | C30 | sing | 1.50Å | 1.55Å | |
| C25 | C26 | doub | 1.32Å | 1.35Å | |
| C30 | C39 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C38 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | sing | 1.50Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C40 | H6 | sing | 1.09Å | 1.10Å | |
| C40 | H7 | sing | 1.09Å | 1.10Å | |
| C40 | H8 | sing | 1.09Å | 1.10Å | |
| C39 | H9 | sing | 1.09Å | 1.10Å | |
| C39 | H10 | sing | 1.09Å | 1.10Å | |
| C39 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.08Å | 1.08Å | |
| C16 | H32 | sing | 1.08Å | 1.08Å | |
| C15 | H33 | sing | 1.08Å | 1.08Å | |
| C14 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C12 | H39 | sing | 1.08Å | 1.08Å | |
| C11 | H40 | sing | 1.08Å | 1.08Å | |
| C10 | H42 | sing | 1.08Å | 1.08Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C8 | H46 | sing | 1.08Å | 1.08Å | |
| C7 | H47 | sing | 1.08Å | 1.08Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C4 | H57 | sing | 1.09Å | 1.10Å | |
| C4 | H58 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 114.7° | 110.1° |
| C4 | C3 | C2 | 111.2° | 108.6° |
| C4 | C3 | H4 | 109.0° | 109.7° |
| C4 | C3 | H5 | 109.0° | 109.8° |
| C3 | C4 | H57 | 108.2° | 109.4° |
| C3 | C4 | H58 | 108.1° | 109.4° |
| C4 | C5 | C33 | 111.2° | 118.1° |
| C4 | C5 | C6 | 124.9° | 123.8° |
| C5 | C4 | H57 | 108.1° | 109.4° |
| C5 | C4 | H58 | 108.2° | 109.2° |
| C33 | C5 | C6 | 124.0° | 118.1° |
| C5 | C33 | H54 | 109.5° | 109.5° |
| C5 | C33 | H55 | 109.5° | 109.4° |
| C5 | C33 | H56 | 109.4° | 109.5° |
| C3 | C2 | C1 | 116.1° | 108.5° |
| C3 | C2 | H1 | 107.8° | 109.6° |
| C3 | C2 | H2 | 107.8° | 109.8° |
| C2 | C3 | H4 | 109.0° | 109.6° |
| C2 | C3 | H5 | 109.1° | 109.6° |
| C5 | C6 | C1 | 121.1° | 123.7° |
| C5 | C6 | C7 | 122.7° | 118.1° |
| C2 | C1 | C6 | 107.6° | 110.0° |
| C2 | C1 | C32 | 109.1° | 109.4° |
| C2 | C1 | C31 | 112.9° | 109.4° |
| C1 | C2 | H1 | 107.8° | 109.6° |
| C1 | C2 | H2 | 107.8° | 109.6° |
| C1 | C6 | C7 | 116.2° | 118.2° |
| C6 | C1 | C32 | 113.3° | 109.3° |
| C6 | C1 | C31 | 110.0° | 109.4° |
| C6 | C7 | C8 | 122.2° | 120.0° |
| C6 | C7 | H47 | 118.9° | 120.0° |
| C32 | C1 | C31 | 104.1° | 109.4° |
| C1 | C32 | H48 | 109.5° | 109.5° |
| C1 | C32 | H49 | 109.5° | 109.5° |
| C1 | C32 | H50 | 109.4° | 109.5° |
| C1 | C31 | H51 | 109.5° | 109.5° |
| C1 | C31 | H52 | 109.5° | 109.5° |
| C1 | C31 | H53 | 109.5° | 109.5° |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C7 | C8 | H46 | 119.7° | 120.0° |
| C8 | C7 | H47 | 118.9° | 120.0° |
| C8 | C9 | C34 | 121.9° | 120.0° |
| C8 | C9 | C10 | 117.7° | 120.0° |
| C9 | C8 | H46 | 119.7° | 120.0° |
| C34 | C9 | C10 | 120.2° | 120.0° |
| C9 | C34 | H43 | 109.5° | 109.4° |
| C9 | C34 | H44 | 109.4° | 109.5° |
| C9 | C34 | H45 | 109.5° | 109.5° |
| C9 | C10 | C11 | 126.4° | 120.0° |
| C9 | C10 | H42 | 116.8° | 120.0° |
| C10 | C11 | C12 | 114.7° | 120.0° |
| C10 | C11 | H40 | 122.6° | 120.0° |
| C11 | C10 | H42 | 116.8° | 120.0° |
| C11 | C12 | C13 | 121.6° | 120.0° |
| C11 | C12 | H39 | 119.2° | 120.0° |
| C12 | C11 | H40 | 122.7° | 120.1° |
| C12 | C13 | C35 | 118.4° | 120.0° |
| C12 | C13 | C14 | 119.2° | 120.0° |
| C13 | C12 | H39 | 119.2° | 120.0° |
| C35 | C13 | C14 | 121.9° | 119.9° |
| C13 | C35 | H36 | 109.5° | 109.5° |
| C13 | C35 | H37 | 109.5° | 109.4° |
| C13 | C35 | H38 | 109.5° | 109.4° |
| C13 | C14 | C15 | 127.1° | 120.0° |
| C13 | C14 | H34 | 116.5° | 120.0° |
| C14 | C15 | C16 | 116.3° | 120.0° |
| C14 | C15 | H33 | 121.8° | 120.0° |
| C15 | C14 | H34 | 116.4° | 120.0° |
| C15 | C16 | C17 | 123.6° | 120.0° |
| C15 | C16 | H32 | 118.2° | 120.0° |
| C16 | C15 | H33 | 121.8° | 120.0° |
| C16 | C17 | C18 | 123.9° | 120.0° |
| C16 | C17 | H31 | 118.0° | 120.0° |
| C17 | C16 | H32 | 118.2° | 120.0° |
| C17 | C18 | C36 | 126.9° | 120.0° |
| C17 | C18 | C19 | 117.5° | 120.0° |
| C18 | C17 | H31 | 118.0° | 120.0° |
| C36 | C18 | C19 | 115.7° | 120.0° |
| C18 | C36 | H28 | 109.5° | 109.4° |
| C18 | C36 | H29 | 109.4° | 109.5° |
| C18 | C36 | H30 | 109.5° | 109.5° |
| C18 | C19 | C20 | 121.4° | 120.0° |
| C18 | C19 | H27 | 119.3° | 120.0° |
| C19 | C20 | C21 | 116.4° | 120.0° |
| C19 | C20 | H26 | 121.8° | 120.0° |
| C20 | C19 | H27 | 119.3° | 120.0° |
| C20 | C21 | C22 | 126.1° | 120.0° |
| C20 | C21 | H25 | 116.9° | 120.0° |
| C21 | C20 | H26 | 121.8° | 120.0° |
| C21 | C22 | C37 | 122.0° | 120.0° |
| C21 | C22 | C23 | 118.3° | 120.0° |
| C22 | C21 | H25 | 117.0° | 120.0° |
| C37 | C22 | C23 | 119.8° | 120.0° |
| C22 | C37 | H22 | 109.5° | 109.5° |
| C22 | C37 | H23 | 109.5° | 109.5° |
| C22 | C37 | H24 | 109.5° | 109.5° |
| C22 | C23 | C24 | 117.2° | 120.0° |
| C22 | C23 | H21 | 121.4° | 120.0° |
| C23 | C24 | C25 | 121.1° | 120.0° |
| C23 | C24 | H20 | 119.4° | 120.0° |
| C24 | C23 | H21 | 121.4° | 120.0° |
| C40 | C30 | C25 | 109.4° | 109.4° |
| C40 | C30 | C39 | 111.6° | 109.4° |
| C40 | C30 | C29 | 108.9° | 109.4° |
| C30 | C40 | H6 | 109.5° | 109.5° |
| C30 | C40 | H7 | 109.5° | 109.5° |
| C30 | C40 | H8 | 109.5° | 109.5° |
| C24 | C25 | C30 | 116.8° | 118.2° |
| C24 | C25 | C26 | 121.9° | 117.9° |
| C25 | C24 | H20 | 119.5° | 119.9° |
| C30 | C25 | C26 | 121.3° | 123.9° |
| C25 | C30 | C39 | 109.8° | 109.4° |
| C25 | C30 | C29 | 111.0° | 110.0° |
| C25 | C26 | C38 | 122.2° | 118.3° |
| C25 | C26 | C27 | 122.8° | 123.6° |
| C39 | C30 | C29 | 106.1° | 109.4° |
| C30 | C39 | H9 | 109.5° | 109.5° |
| C30 | C39 | H10 | 109.5° | 109.5° |
| C30 | C39 | H11 | 109.4° | 109.5° |
| C30 | C29 | C28 | 112.6° | 108.5° |
| C30 | C29 | H12 | 108.6° | 109.6° |
| C30 | C29 | H13 | 108.7° | 109.6° |
| C38 | C26 | C27 | 115.0° | 118.1° |
| C26 | C38 | H17 | 109.5° | 109.5° |
| C26 | C38 | H18 | 109.5° | 109.4° |
| C26 | C38 | H19 | 109.5° | 109.5° |
| C26 | C27 | C28 | 112.9° | 110.1° |
| C26 | C27 | H15 | 108.6° | 109.4° |
| C26 | C27 | H16 | 108.6° | 109.2° |
| C29 | C28 | C27 | 106.5° | 108.5° |
| C29 | C28 | O2 | 109.0° | 109.6° |
| C28 | C29 | H12 | 108.7° | 109.6° |
| C28 | C29 | H13 | 108.7° | 109.8° |
| C29 | C28 | H14 | 110.3° | 109.7° |
| C27 | C28 | O2 | 109.6° | 109.6° |
| C27 | C28 | H14 | 110.0° | 109.6° |
| C28 | C27 | H15 | 108.6° | 109.4° |
| C28 | C27 | H16 | 108.6° | 109.4° |
| C28 | O2 | H3 | 109.5° | 114.0° |
| O2 | C28 | H14 | 111.3° | 109.8° |
| H1 | C2 | H2 | 109.5° | 109.6° |
| H4 | C3 | H5 | 109.5° | 109.6° |
| H6 | C40 | H7 | 109.5° | 109.5° |
| H6 | C40 | H8 | 109.4° | 109.4° |
| H7 | C40 | H8 | 109.5° | 109.5° |
| H9 | C39 | H10 | 109.5° | 109.4° |
| H9 | C39 | H11 | 109.5° | 109.5° |
| H10 | C39 | H11 | 109.5° | 109.4° |
| H12 | C29 | H13 | 109.4° | 109.6° |
| H15 | C27 | H16 | 109.5° | 109.4° |
| H17 | C38 | H18 | 109.4° | 109.5° |
| H17 | C38 | H19 | 109.5° | 109.4° |
| H18 | C38 | H19 | 109.4° | 109.5° |
| H22 | C37 | H23 | 109.5° | 109.5° |
| H22 | C37 | H24 | 109.5° | 109.4° |
| H23 | C37 | H24 | 109.5° | 109.5° |
| H28 | C36 | H29 | 109.5° | 109.5° |
| H28 | C36 | H30 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H36 | C35 | H37 | 109.5° | 109.5° |
| H36 | C35 | H38 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H43 | C34 | H44 | 109.5° | 109.5° |
| H43 | C34 | H45 | 109.4° | 109.5° |
| H44 | C34 | H45 | 109.5° | 109.5° |
| H48 | C32 | H49 | 109.4° | 109.5° |
| H48 | C32 | H50 | 109.5° | 109.4° |
| H49 | C32 | H50 | 109.5° | 109.4° |
| H51 | C31 | H52 | 109.4° | 109.4° |
| H51 | C31 | H53 | 109.4° | 109.5° |
| H52 | C31 | H53 | 109.5° | 109.4° |
| H54 | C33 | H55 | 109.4° | 109.5° |
| H54 | C33 | H56 | 109.5° | 109.5° |
| H55 | C33 | H56 | 109.5° | 109.5° |
| H57 | C4 | H58 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H57 | 120.8° | 120.3° |
| C3 | C4 | C5 | H58 | 120.7° | 120.1° |
| C3 | C4 | C5 | C33 | 179.0° | 162.9° |
| C4 | C3 | C2 | H4 | 120.3° | 119.7° |
| C4 | C3 | C2 | H5 | 120.2° | 119.9° |
| C3 | C4 | C5 | C6 | 1.1° | 17.1° |
| C4 | C3 | C2 | C1 | 56.0° | 68.3° |
| C4 | C3 | C2 | H1 | 65.0° | 172.0° |
| C4 | C3 | C2 | H2 | 176.9° | 51.6° |
| C4 | C3 | H4 | H5 | 119.2° | 120.6° |
| C3 | C4 | H57 | H58 | 117.6° | 119.7° |
| C4 | C5 | C33 | C6 | 179.9° | 179.9° |
| C5 | C4 | C3 | C2 | 26.3° | 49.7° |
| C4 | C5 | C6 | C1 | 0.8° | 0.4° |
| C4 | C5 | C6 | C7 | 179.8° | 179.7° |
| C5 | C4 | C3 | H4 | 146.6° | 70.0° |
| C5 | C4 | C3 | H5 | 93.9° | 169.5° |
| C4 | C5 | C33 | H54 | 180.0° | 88.3° |
| C4 | C5 | C33 | H55 | 60.0° | 31.6° |
| C4 | C5 | C33 | H56 | 60.0° | 151.6° |
| C5 | C4 | H57 | H58 | 117.6° | 119.6° |
| C33 | C5 | C6 | C1 | 179.3° | 179.5° |
| C33 | C5 | C6 | C7 | 0.3° | 0.4° |
| C5 | C33 | H54 | H55 | 120.0° | 119.9° |
| C5 | C33 | H54 | H56 | 120.0° | 120.0° |
| C5 | C33 | H55 | H56 | 120.0° | 120.0° |
| C33 | C5 | C4 | H57 | 58.2° | 42.6° |
| C33 | C5 | C4 | H58 | 60.3° | 77.0° |
| C3 | C2 | C1 | H1 | 121.0° | 119.7° |
| C3 | C2 | C1 | H2 | 120.9° | 119.9° |
| C3 | C2 | C1 | C6 | 53.8° | 49.9° |
| C3 | C2 | C1 | C32 | 177.0° | 170.0° |
| C3 | C2 | C1 | C31 | 67.8° | 70.2° |
| C3 | C2 | H1 | H2 | 117.0° | 120.6° |
| C2 | C3 | H4 | H5 | 119.2° | 120.3° |
| C2 | C3 | C4 | H57 | 147.1° | 170.0° |
| C2 | C3 | C4 | H58 | 94.4° | 70.3° |
| C5 | C6 | C1 | C2 | 25.9° | 17.3° |
| C5 | C6 | C1 | C7 | 179.0° | 179.9° |
| C5 | C6 | C1 | C32 | 146.5° | 137.4° |
| C5 | C6 | C1 | C31 | 97.5° | 102.9° |
| C5 | C6 | C7 | C8 | 48.4° | 58.3° |
| C5 | C6 | C7 | H47 | 131.6° | 121.7° |
| C6 | C5 | C33 | H54 | 0.1° | 91.6° |
| C6 | C5 | C33 | H55 | 120.1° | 148.4° |
| C6 | C5 | C33 | H56 | 119.9° | 28.4° |
| C6 | C5 | C4 | H57 | 121.9° | 137.3° |
| C6 | C5 | C4 | H58 | 119.6° | 103.1° |
| C2 | C1 | C6 | C32 | 120.6° | 120.1° |
| C2 | C1 | C6 | C31 | 123.4° | 120.1° |
| C2 | C1 | C6 | C7 | 155.1° | 162.8° |
| C2 | C1 | C32 | C31 | 120.7° | 119.7° |
| C1 | C2 | H1 | H2 | 117.0° | 120.4° |
| C1 | C2 | C3 | H4 | 176.2° | 51.5° |
| C1 | C2 | C3 | H5 | 64.3° | 171.9° |
| C2 | C1 | C32 | H48 | 180.0° | 174.5° |
| C2 | C1 | C32 | H49 | 60.0° | 65.5° |
| C2 | C1 | C32 | H50 | 60.0° | 54.5° |
| C2 | C1 | C31 | H51 | 180.0° | 59.7° |
| C2 | C1 | C31 | H52 | 60.0° | 60.3° |
| C2 | C1 | C31 | H53 | 60.0° | 179.8° |
| C6 | C1 | C32 | C31 | 119.5° | 119.8° |
| C1 | C6 | C7 | C8 | 130.6° | 121.6° |
| C6 | C1 | C2 | H1 | 67.2° | 169.7° |
| C6 | C1 | C2 | H2 | 174.7° | 70.0° |
| C1 | C6 | C7 | H47 | 49.4° | 58.3° |
| C6 | C1 | C32 | H48 | 60.2° | 65.0° |
| C6 | C1 | C32 | H49 | 59.8° | 55.0° |
| C6 | C1 | C32 | H50 | 179.8° | 175.0° |
| C6 | C1 | C31 | H51 | 59.8° | 179.7° |
| C6 | C1 | C31 | H52 | 179.8° | 60.3° |
| C6 | C1 | C31 | H53 | 60.2° | 59.7° |
| C7 | C6 | C1 | C32 | 34.5° | 42.7° |
| C7 | C6 | C1 | C31 | 81.5° | 77.1° |
| C6 | C7 | C8 | H47 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 177.6° | 176.7° |
| C6 | C7 | C8 | H46 | 2.4° | 3.3° |
| C32 | C1 | C2 | H1 | 56.1° | 70.2° |
| C32 | C1 | C2 | H2 | 62.0° | 50.1° |
| C1 | C32 | H48 | H49 | 120.0° | 120.1° |
| C1 | C32 | H48 | H50 | 120.0° | 120.0° |
| C1 | C32 | H49 | H50 | 120.0° | 120.0° |
| C32 | C1 | C31 | H51 | 61.9° | 60.0° |
| C32 | C1 | C31 | H52 | 58.1° | 180.0° |
| C32 | C1 | C31 | H53 | 178.1° | 60.0° |
| C31 | C1 | C2 | H1 | 171.2° | 49.5° |
| C31 | C1 | C2 | H2 | 53.1° | 169.8° |
| C31 | C1 | C32 | H48 | 59.3° | 54.7° |
| C31 | C1 | C32 | H49 | 179.3° | 174.8° |
| C31 | C1 | C32 | H50 | 60.7° | 65.2° |
| C1 | C31 | H51 | H52 | 120.0° | 120.0° |
| C1 | C31 | H51 | H53 | 120.0° | 120.1° |
| C1 | C31 | H52 | H53 | 120.0° | 120.0° |
| C7 | C8 | C9 | H46 | 180.0° | 180.0° |
| C7 | C8 | C9 | C34 | 5.4° | 0.1° |
| C7 | C8 | C9 | C10 | 169.2° | 180.0° |
| C8 | C9 | C34 | C10 | 174.5° | 179.9° |
| C8 | C9 | C10 | C11 | 174.6° | 180.0° |
| C8 | C9 | C10 | H42 | 5.4° | 0.0° |
| C8 | C9 | C34 | H43 | 180.0° | 90.0° |
| C8 | C9 | C34 | H44 | 60.0° | 30.0° |
| C8 | C9 | C34 | H45 | 60.0° | 150.0° |
| C9 | C8 | C7 | H47 | 2.4° | 3.2° |
| C34 | C9 | C10 | C11 | 0.1° | 0.1° |
| C34 | C9 | C10 | H42 | 179.9° | 180.0° |
| C9 | C34 | H43 | H44 | 120.0° | 120.0° |
| C9 | C34 | H43 | H45 | 120.0° | 120.0° |
| C9 | C34 | H44 | H45 | 120.0° | 120.0° |
| C34 | C9 | C8 | H46 | 174.6° | 180.0° |
| C9 | C10 | C11 | H42 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 158.2° | 180.0° |
| C9 | C10 | C11 | H40 | 21.7° | 0.0° |
| C10 | C9 | C34 | H43 | 5.5° | 90.0° |
| C10 | C9 | C34 | H44 | 125.5° | 150.0° |
| C10 | C9 | C34 | H45 | 114.5° | 29.9° |
| C10 | C9 | C8 | H46 | 10.8° | 0.0° |
| C10 | C11 | C12 | H40 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 176.5° | 180.0° |
| C10 | C11 | C12 | H39 | 3.5° | 0.0° |
| C11 | C12 | C13 | H39 | 180.0° | 180.0° |
| C11 | C12 | C13 | C35 | 9.0° | 0.0° |
| C11 | C12 | C13 | C14 | 178.3° | 180.0° |
| C12 | C11 | C10 | H42 | 21.7° | 0.0° |
| C12 | C13 | C35 | C14 | 172.4° | 180.0° |
| C12 | C13 | C14 | C15 | 176.9° | 180.0° |
| C12 | C13 | C14 | H34 | 3.1° | 0.0° |
| C12 | C13 | C35 | H36 | 180.0° | 90.0° |
| C12 | C13 | C35 | H37 | 60.0° | 30.0° |
| C12 | C13 | C35 | H38 | 60.0° | 150.0° |
| C13 | C12 | C11 | H40 | 3.5° | 0.0° |
| C35 | C13 | C14 | C15 | 4.5° | 0.0° |
| C35 | C13 | C14 | H34 | 175.5° | 180.0° |
| C13 | C35 | H36 | H37 | 120.0° | 119.9° |
| C13 | C35 | H36 | H38 | 120.0° | 120.0° |
| C13 | C35 | H37 | H38 | 120.0° | 119.9° |
| C35 | C13 | C12 | H39 | 171.0° | 180.0° |
| C13 | C14 | C15 | H34 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 171.4° | 180.0° |
| C13 | C14 | C15 | H33 | 8.5° | 0.0° |
| C14 | C13 | C35 | H36 | 7.5° | 90.0° |
| C14 | C13 | C35 | H37 | 127.5° | 150.0° |
| C14 | C13 | C35 | H38 | 112.5° | 30.0° |
| C14 | C13 | C12 | H39 | 1.7° | 0.0° |
| C14 | C15 | C16 | H33 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 177.6° | 180.0° |
| C14 | C15 | C16 | H32 | 2.4° | 0.1° |
| C15 | C16 | C17 | H32 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 173.9° | 180.0° |
| C15 | C16 | C17 | H31 | 6.1° | 0.1° |
| C16 | C15 | C14 | H34 | 8.6° | 0.0° |
| C16 | C17 | C18 | H31 | 180.0° | 179.9° |
| C16 | C17 | C18 | C36 | 1.5° | 0.0° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C17 | C16 | C15 | H33 | 2.4° | 0.0° |
| C17 | C18 | C36 | C19 | 179.0° | 180.0° |
| C17 | C18 | C19 | C20 | 173.5° | 180.0° |
| C17 | C18 | C19 | H27 | 6.5° | 0.0° |
| C17 | C18 | C36 | H28 | 180.0° | 90.0° |
| C17 | C18 | C36 | H29 | 60.0° | 30.0° |
| C17 | C18 | C36 | H30 | 60.0° | 150.0° |
| C18 | C17 | C16 | H32 | 6.1° | 0.1° |
| C36 | C18 | C19 | C20 | 5.6° | 0.0° |
| C36 | C18 | C19 | H27 | 174.5° | 180.0° |
| C18 | C36 | H28 | H29 | 120.0° | 120.0° |
| C18 | C36 | H28 | H30 | 120.0° | 120.0° |
| C18 | C36 | H29 | H30 | 120.0° | 120.0° |
| C36 | C18 | C17 | H31 | 178.5° | 179.9° |
| C18 | C19 | C20 | H27 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.0° | 180.0° |
| C18 | C19 | C20 | H26 | 1.0° | 0.0° |
| C19 | C18 | C36 | H28 | 1.1° | 90.0° |
| C19 | C18 | C36 | H29 | 119.0° | 150.0° |
| C19 | C18 | C36 | H30 | 121.1° | 29.9° |
| C19 | C18 | C17 | H31 | 0.4° | 0.1° |
| C19 | C20 | C21 | H26 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 178.9° | 180.0° |
| C19 | C20 | C21 | H25 | 1.1° | 0.0° |
| C20 | C21 | C22 | H25 | 180.0° | 180.0° |
| C20 | C21 | C22 | C37 | 1.1° | 0.1° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C21 | C20 | C19 | H27 | 1.0° | 0.0° |
| C21 | C22 | C37 | C23 | 178.8° | 179.9° |
| C21 | C22 | C23 | C24 | 172.4° | 180.0° |
| C21 | C22 | C23 | H21 | 7.6° | 0.0° |
| C21 | C22 | C37 | H22 | 180.0° | 90.0° |
| C21 | C22 | C37 | H23 | 60.0° | 29.9° |
| C21 | C22 | C37 | H24 | 60.0° | 150.0° |
| C22 | C21 | C20 | H26 | 1.2° | 0.0° |
| C37 | C22 | C23 | C24 | 8.7° | 0.1° |
| C37 | C22 | C23 | H21 | 171.3° | 180.0° |
| C22 | C37 | H22 | H23 | 120.0° | 120.0° |
| C22 | C37 | H22 | H24 | 120.0° | 120.0° |
| C22 | C37 | H23 | H24 | 120.0° | 120.1° |
| C37 | C22 | C21 | H25 | 178.9° | 180.0° |
| C22 | C23 | C24 | H21 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 178.9° | 177.8° |
| C22 | C23 | C24 | H20 | 1.1° | 2.3° |
| C23 | C22 | C37 | H22 | 1.2° | 90.0° |
| C23 | C22 | C37 | H23 | 121.2° | 150.0° |
| C23 | C22 | C37 | H24 | 118.8° | 30.0° |
| C23 | C22 | C21 | H25 | 0.1° | 0.0° |
| C23 | C24 | C25 | H20 | 180.0° | 179.9° |
| C23 | C24 | C25 | C30 | 100.1° | 121.6° |
| C23 | C24 | C25 | C26 | 81.1° | 58.4° |
| C40 | C30 | C25 | C24 | 73.7° | 77.0° |
| C40 | C30 | C25 | C39 | 122.8° | 119.7° |
| C40 | C30 | C25 | C29 | 120.2° | 120.1° |
| C40 | C30 | C25 | C26 | 107.5° | 103.0° |
| C40 | C30 | C39 | C29 | 118.5° | 119.7° |
| C40 | C30 | C29 | C28 | 73.5° | 70.4° |
| C30 | C40 | H6 | H7 | 120.0° | 120.0° |
| C30 | C40 | H6 | H8 | 120.0° | 120.0° |
| C30 | C40 | H7 | H8 | 120.0° | 120.0° |
| C40 | C30 | C39 | H9 | 180.0° | 65.1° |
| C40 | C30 | C39 | H10 | 60.0° | 174.9° |
| C40 | C30 | C39 | H11 | 60.0° | 54.9° |
| C40 | C30 | C29 | H12 | 166.0° | 170.0° |
| C40 | C30 | C29 | H13 | 47.0° | 49.6° |
| C24 | C25 | C30 | C26 | 178.9° | 180.0° |
| C24 | C25 | C30 | C39 | 49.1° | 42.7° |
| C24 | C25 | C30 | C29 | 166.1° | 162.9° |
| C24 | C25 | C26 | C38 | 0.8° | 0.4° |
| C24 | C25 | C26 | C27 | 179.2° | 179.6° |
| C25 | C24 | C23 | H21 | 1.1° | 2.2° |
| C25 | C30 | C39 | C29 | 120.0° | 120.5° |
| C30 | C25 | C26 | C38 | 178.0° | 179.6° |
| C30 | C25 | C26 | C27 | 0.4° | 0.3° |
| C25 | C30 | C29 | C28 | 47.0° | 49.8° |
| C25 | C30 | C40 | H6 | 180.0° | 59.8° |
| C25 | C30 | C40 | H7 | 60.0° | 60.3° |
| C25 | C30 | C40 | H8 | 60.0° | 179.7° |
| C25 | C30 | C39 | H9 | 58.5° | 175.2° |
| C25 | C30 | C39 | H10 | 61.5° | 55.2° |
| C25 | C30 | C39 | H11 | 178.5° | 64.8° |
| C25 | C30 | C29 | H12 | 73.5° | 69.9° |
| C25 | C30 | C29 | H13 | 167.5° | 169.7° |
| C30 | C25 | C24 | H20 | 79.9° | 58.5° |
| C26 | C25 | C30 | C39 | 129.7° | 137.2° |
| C26 | C25 | C30 | C29 | 12.7° | 17.1° |
| C25 | C26 | C38 | C27 | 178.5° | 180.0° |
| C25 | C26 | C27 | C28 | 19.5° | 17.2° |
| C25 | C26 | C27 | H15 | 140.0° | 103.1° |
| C25 | C26 | C27 | H16 | 101.0° | 137.3° |
| C25 | C26 | C38 | H17 | 180.0° | 175.7° |
| C25 | C26 | C38 | H18 | 60.0° | 55.7° |
| C25 | C26 | C38 | H19 | 60.0° | 64.3° |
| C26 | C25 | C24 | H20 | 98.9° | 121.6° |
| C39 | C30 | C29 | C28 | 166.2° | 169.9° |
| C39 | C30 | C40 | H6 | 58.4° | 60.0° |
| C39 | C30 | C40 | H7 | 61.7° | 180.0° |
| C39 | C30 | C40 | H8 | 178.3° | 60.0° |
| C30 | C39 | H9 | H10 | 120.0° | 120.1° |
| C30 | C39 | H9 | H11 | 120.0° | 120.0° |
| C30 | C39 | H10 | H11 | 120.0° | 120.0° |
| C39 | C30 | C29 | H12 | 45.7° | 50.2° |
| C39 | C30 | C29 | H13 | 73.3° | 70.1° |
| C30 | C29 | C28 | H12 | 120.4° | 119.7° |
| C30 | C29 | C28 | H13 | 120.5° | 119.8° |
| C30 | C29 | C28 | C27 | 66.2° | 68.3° |
| C30 | C29 | C28 | O2 | 175.6° | 172.1° |
| C29 | C30 | C40 | H6 | 58.5° | 179.7° |
| C29 | C30 | C40 | H7 | 178.5° | 60.3° |
| C29 | C30 | C40 | H8 | 61.5° | 59.7° |
| C29 | C30 | C39 | H9 | 61.5° | 54.6° |
| C29 | C30 | C39 | H10 | 178.5° | 65.4° |
| C29 | C30 | C39 | H11 | 58.5° | 174.6° |
| C30 | C29 | H12 | H13 | 118.5° | 120.4° |
| C30 | C29 | C28 | H14 | 53.1° | 51.5° |
| C38 | C26 | C27 | C28 | 162.1° | 162.8° |
| C38 | C26 | C27 | H15 | 41.6° | 77.0° |
| C38 | C26 | C27 | H16 | 77.5° | 42.7° |
| C26 | C38 | H17 | H18 | 120.0° | 120.0° |
| C26 | C38 | H17 | H19 | 120.0° | 120.0° |
| C26 | C38 | H18 | H19 | 120.0° | 120.0° |
| C26 | C27 | C28 | C29 | 50.4° | 49.9° |
| C26 | C27 | C28 | H15 | 120.5° | 120.2° |
| C26 | C27 | C28 | H16 | 120.5° | 120.0° |
| C26 | C27 | C28 | O2 | 168.2° | 169.6° |
| C26 | C27 | C28 | H14 | 69.1° | 69.9° |
| C26 | C27 | H15 | H16 | 118.5° | 119.6° |
| C27 | C26 | C38 | H17 | 1.5° | 4.3° |
| C27 | C26 | C38 | H18 | 121.5° | 124.3° |
| C27 | C26 | C38 | H19 | 118.5° | 115.7° |
| C29 | C28 | C27 | O2 | 117.8° | 119.7° |
| C29 | C28 | C27 | H14 | 119.5° | 119.8° |
| C29 | C28 | O2 | H14 | 121.9° | 120.5° |
| C29 | C28 | O2 | H3 | 180.0° | 179.9° |
| C28 | C29 | H12 | H13 | 118.6° | 120.6° |
| C29 | C28 | C27 | H15 | 170.9° | 70.3° |
| C29 | C28 | C27 | H16 | 70.1° | 169.9° |
| C27 | C28 | O2 | H14 | 121.9° | 120.5° |
| C27 | C28 | O2 | H3 | 63.8° | 61.1° |
| C27 | C28 | C29 | H12 | 54.2° | 51.4° |
| C27 | C28 | C29 | H13 | 173.3° | 171.9° |
| C28 | C27 | H15 | H16 | 118.5° | 119.8° |
| O2 | C28 | C29 | H12 | 64.0° | 68.2° |
| O2 | C28 | C29 | H13 | 55.1° | 52.2° |
| O2 | C28 | C27 | H15 | 71.4° | 49.3° |
| O2 | C28 | C27 | H16 | 47.7° | 70.5° |
| H1 | C2 | C3 | H4 | 55.3° | 68.2° |
| H1 | C2 | C3 | H5 | 174.8° | 52.1° |
| H2 | C2 | C3 | H4 | 62.8° | 171.3° |
| H2 | C2 | C3 | H5 | 56.7° | 68.3° |
| H3 | O2 | C28 | H14 | 58.1° | 59.4° |
| H4 | C3 | C4 | H57 | 92.7° | 50.3° |
| H4 | C3 | C4 | H58 | 25.8° | 170.0° |
| H5 | C3 | C4 | H57 | 26.8° | 70.2° |
| H5 | C3 | C4 | H58 | 145.3° | 49.5° |
| H6 | C40 | H7 | H8 | 120.0° | 120.0° |
| H9 | C39 | H10 | H11 | 120.0° | 119.9° |
| H12 | C29 | C28 | H14 | 173.5° | 171.2° |
| H13 | C29 | C28 | H14 | 67.4° | 68.4° |
| H14 | C28 | C27 | H15 | 51.3° | 169.9° |
| H14 | C28 | C27 | H16 | 170.4° | 50.1° |
| H17 | C38 | H18 | H19 | 120.0° | 120.0° |
| H20 | C24 | C23 | H21 | 178.9° | 177.7° |
| H22 | C37 | H23 | H24 | 120.0° | 120.0° |
| H25 | C21 | C20 | H26 | 178.8° | 180.0° |
| H26 | C20 | C19 | H27 | 179.0° | NaN° |
| H28 | C36 | H29 | H30 | 120.0° | 120.0° |
| H31 | C17 | C16 | H32 | 173.9° | 180.0° |
| H32 | C16 | C15 | H33 | 177.6° | 179.9° |
| H33 | C15 | C14 | H34 | 171.5° | 180.0° |
| H36 | C35 | H37 | H38 | 120.0° | 120.1° |
| H39 | C12 | C11 | H40 | 176.5° | 180.0° |
| H40 | C11 | C10 | H42 | 158.3° | 180.0° |
| H43 | C34 | H44 | H45 | 120.0° | 120.0° |
| H46 | C8 | C7 | H47 | 177.6° | 176.8° |
| H48 | C32 | H49 | H50 | 120.0° | 119.9° |
| H51 | C31 | H52 | H53 | 120.0° | 119.9° |
| H54 | C33 | H55 | H56 | 120.0° | 120.0° |
