ECH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | C32 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.50Å | 1.57Å | |
| C1 | C31 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.50Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C33 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.32Å | 1.37Å | |
| C6 | C7 | sing | 1.42Å | 1.50Å | |
| C7 | C8 | doub | 1.36Å | 1.35Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.41Å | 1.47Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.37Å | 1.33Å | |
| C9 | C34 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.40Å | 1.43Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.34Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.40Å | 1.44Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.33Å | |
| C13 | C35 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | sing | 1.40Å | 1.43Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.44Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.40Å | 1.46Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C36 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.40Å | 1.43Å | |
| C19 | C20 | doub | 1.38Å | 1.37Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.47Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.35Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C37 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.39Å | 1.44Å | |
| C23 | C24 | doub | 1.38Å | 1.36Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.39Å | 1.51Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | C25 | sing | 1.51Å | 1.55Å | |
| C25 | C26 | doub | 1.38Å | 1.35Å | |
| C26 | C38 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | sing | 1.39Å | 1.48Å | |
| C28 | C27 | sing | 1.51Å | 1.47Å | |
| C27 | O27 | doub | 1.22Å | 1.24Å | |
| C29 | C28 | sing | 1.53Å | 1.46Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C39 | C30 | sing | 1.53Å | 1.50Å | |
| C40 | C30 | sing | 1.53Å | 1.50Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C32 | 110.1° | 109.4° |
| C2 | C1 | C6 | 109.7° | 110.1° |
| C2 | C1 | C31 | 108.1° | 109.3° |
| C1 | C2 | C3 | 115.2° | 108.6° |
| C1 | C2 | H2 | 107.6° | 109.7° |
| C1 | C2 | H2A | 107.6° | 109.6° |
| C32 | C1 | C6 | 109.4° | 109.3° |
| C32 | C1 | C31 | 109.5° | 109.4° |
| C1 | C32 | H32 | 109.5° | 109.4° |
| C1 | C32 | H32A | 109.4° | 109.4° |
| C1 | C32 | H32B | 109.5° | 109.5° |
| C6 | C1 | C31 | 110.0° | 109.4° |
| C1 | C6 | C5 | 122.3° | 123.7° |
| C1 | C6 | C7 | 113.4° | 118.2° |
| C1 | C31 | H31 | 109.5° | 109.4° |
| C1 | C31 | H31A | 109.4° | 109.4° |
| C1 | C31 | H31B | 109.5° | 109.5° |
| C3 | C2 | H2 | 107.6° | 109.6° |
| C3 | C2 | H2A | 107.6° | 109.8° |
| C2 | C3 | C4 | 112.7° | 108.5° |
| C2 | C3 | H3 | 108.4° | 109.6° |
| C2 | C3 | H3A | 108.4° | 109.7° |
| H2 | C2 | H2A | 111.3° | 109.6° |
| C4 | C3 | H3 | 108.4° | 109.6° |
| C4 | C3 | H3A | 108.4° | 109.6° |
| C3 | C4 | C5 | 113.1° | 110.2° |
| C3 | C4 | H4 | 108.3° | 109.4° |
| C3 | C4 | H4A | 108.3° | 109.3° |
| H3 | C3 | H3A | 110.5° | 109.7° |
| C5 | C4 | H4 | 108.3° | 109.4° |
| C5 | C4 | H4A | 108.3° | 109.4° |
| C4 | C5 | C33 | 110.0° | 118.2° |
| C4 | C5 | C6 | 122.8° | 123.7° |
| H4 | C4 | H4A | 110.7° | 109.2° |
| C33 | C5 | C6 | 126.9° | 118.1° |
| C5 | C33 | H33 | 109.5° | 109.4° |
| C5 | C33 | H33A | 109.5° | 109.5° |
| C5 | C33 | H33B | 109.5° | 109.5° |
| C5 | C6 | C7 | 124.1° | 118.2° |
| C6 | C7 | C8 | 127.4° | 120.0° |
| C6 | C7 | H7 | 116.3° | 120.0° |
| C8 | C7 | H7 | 116.3° | 120.0° |
| C7 | C8 | C9 | 122.3° | 120.0° |
| C7 | C8 | H8 | 118.9° | 120.0° |
| C9 | C8 | H8 | 118.8° | 120.0° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C8 | C9 | C34 | 124.8° | 120.0° |
| C10 | C9 | C34 | 115.2° | 120.0° |
| C9 | C10 | C11 | 125.5° | 120.0° |
| C9 | C10 | H10 | 117.3° | 119.9° |
| C9 | C34 | H34 | 109.5° | 109.4° |
| C9 | C34 | H34A | 109.5° | 109.5° |
| C9 | C34 | H34B | 109.5° | 109.5° |
| C11 | C10 | H10 | 117.2° | 120.0° |
| C10 | C11 | C12 | 116.1° | 120.0° |
| C10 | C11 | H11 | 121.9° | 120.0° |
| C12 | C11 | H11 | 121.9° | 120.0° |
| C11 | C12 | C13 | 129.9° | 120.0° |
| C11 | C12 | H12 | 115.1° | 120.0° |
| C13 | C12 | H12 | 115.1° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | C35 | 117.0° | 120.0° |
| C14 | C13 | C35 | 122.7° | 120.0° |
| C13 | C14 | C15 | 124.7° | 120.0° |
| C13 | C14 | H14 | 117.7° | 120.0° |
| C13 | C35 | H35 | 109.5° | 109.5° |
| C13 | C35 | H35A | 109.5° | 109.5° |
| C13 | C35 | H35B | 109.5° | 109.5° |
| C15 | C14 | H14 | 117.6° | 120.0° |
| C14 | C15 | C16 | 123.8° | 120.0° |
| C14 | C15 | H15 | 118.1° | 120.0° |
| C16 | C15 | H15 | 118.1° | 120.0° |
| C15 | C16 | C17 | 125.1° | 120.0° |
| C15 | C16 | H16 | 117.5° | 120.0° |
| C17 | C16 | H16 | 117.5° | 119.9° |
| C16 | C17 | C18 | 127.8° | 120.0° |
| C16 | C17 | H17 | 116.1° | 119.9° |
| C18 | C17 | H17 | 116.1° | 120.0° |
| C17 | C18 | C36 | 117.1° | 120.0° |
| C17 | C18 | C19 | 122.7° | 120.0° |
| C36 | C18 | C19 | 120.1° | 120.0° |
| C18 | C36 | H36 | 109.5° | 109.4° |
| C18 | C36 | H36A | 109.5° | 109.5° |
| C18 | C36 | H36B | 109.4° | 109.5° |
| C18 | C19 | C20 | 127.3° | 120.0° |
| C18 | C19 | H19 | 116.4° | 120.0° |
| C20 | C19 | H19 | 116.4° | 120.0° |
| C19 | C20 | C21 | 121.8° | 120.0° |
| C19 | C20 | H20 | 119.1° | 120.0° |
| C21 | C20 | H20 | 119.1° | 120.0° |
| C20 | C21 | C22 | 125.0° | 120.0° |
| C20 | C21 | H21 | 117.5° | 120.0° |
| C22 | C21 | H21 | 117.5° | 120.0° |
| C21 | C22 | C37 | 118.4° | 120.0° |
| C21 | C22 | C23 | 123.8° | 120.0° |
| C37 | C22 | C23 | 117.3° | 120.0° |
| C22 | C37 | H37 | 109.5° | 109.5° |
| C22 | C37 | H37A | 109.5° | 109.5° |
| C22 | C37 | H37B | 109.5° | 109.5° |
| C22 | C23 | C24 | 121.0° | 120.0° |
| C22 | C23 | H23 | 119.5° | 120.0° |
| C24 | C23 | H23 | 119.5° | 120.0° |
| C23 | C24 | C25 | 124.9° | 120.0° |
| C23 | C24 | H24 | 117.5° | 120.0° |
| C25 | C24 | H24 | 117.6° | 120.0° |
| C24 | C25 | C30 | 116.1° | 119.6° |
| C24 | C25 | C26 | 125.6° | 119.6° |
| C30 | C25 | C26 | 117.7° | 120.8° |
| C25 | C30 | C29 | 111.0° | 109.2° |
| C25 | C30 | C39 | 109.0° | 109.5° |
| C25 | C30 | C40 | 115.7° | 109.4° |
| C25 | C26 | C38 | 118.7° | 119.3° |
| C25 | C26 | C27 | 122.6° | 121.4° |
| C38 | C26 | C27 | 118.6° | 119.3° |
| C26 | C38 | H38 | 109.5° | 109.5° |
| C26 | C38 | H38A | 109.5° | 109.5° |
| C26 | C38 | H38B | 109.4° | 109.5° |
| C26 | C27 | C28 | 121.5° | 120.7° |
| C26 | C27 | O27 | 124.0° | 119.7° |
| C28 | C27 | O27 | 114.4° | 119.6° |
| C27 | C28 | C29 | 113.1° | 109.3° |
| C27 | C28 | H28 | 108.3° | 109.5° |
| C27 | C28 | H28A | 108.3° | 109.5° |
| C29 | C28 | H28 | 108.3° | 109.5° |
| C29 | C28 | H28A | 108.2° | 109.6° |
| C28 | C29 | C30 | 118.9° | 108.8° |
| C28 | C29 | H29 | 106.4° | 109.6° |
| C28 | C29 | H29A | 106.4° | 109.6° |
| H28 | C28 | H28A | 110.7° | 109.5° |
| C30 | C29 | H29 | 106.5° | 109.8° |
| C30 | C29 | H29A | 106.5° | 109.6° |
| C29 | C30 | C39 | 112.0° | 109.7° |
| C29 | C30 | C40 | 107.1° | 109.4° |
| H29 | C29 | H29A | 112.3° | 109.5° |
| C39 | C30 | C40 | 101.8° | 109.5° |
| C30 | C39 | H39 | 109.5° | 109.5° |
| C30 | C39 | H39A | 109.5° | 109.5° |
| C30 | C39 | H39B | 109.5° | 109.5° |
| C30 | C40 | H40 | 109.5° | 109.5° |
| C30 | C40 | H40A | 109.5° | 109.4° |
| C30 | C40 | H40B | 109.5° | 109.4° |
| H31 | C31 | H31A | 109.4° | 109.5° |
| H31 | C31 | H31B | 109.5° | 109.4° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.4° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H33 | C33 | H33A | 109.4° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.4° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.4° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H36 | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.4° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.4° |
| H38 | C38 | H38A | 109.4° | 109.5° |
| H38 | C38 | H38B | 109.5° | 109.4° |
| H38A | C38 | H38B | 109.5° | 109.4° |
| H39 | C39 | H39A | 109.5° | 109.4° |
| H39 | C39 | H39B | 109.5° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.5° |
| H40 | C40 | H40A | 109.4° | 109.5° |
| H40 | C40 | H40B | 109.5° | 109.5° |
| H40A | C40 | H40B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C32 | C6 | 120.6° | 120.7° |
| C2 | C1 | C32 | C31 | 118.7° | 119.6° |
| C2 | C1 | C6 | C31 | 118.7° | 120.1° |
| C1 | C2 | C3 | H2 | 120.0° | 119.8° |
| C1 | C2 | C3 | H2A | 120.0° | 119.8° |
| C1 | C2 | H2 | H2A | 117.7° | 120.4° |
| C1 | C2 | C3 | C4 | 57.6° | 68.2° |
| C1 | C2 | C3 | H3 | 177.6° | 51.5° |
| C1 | C2 | C3 | H3A | 62.4° | 172.0° |
| C2 | C1 | C6 | C5 | 18.7° | 17.2° |
| C2 | C1 | C6 | C7 | 167.1° | 162.8° |
| C2 | C1 | C31 | H31 | 180.0° | 59.7° |
| C2 | C1 | C31 | H31A | 60.0° | 60.3° |
| C2 | C1 | C31 | H31B | 60.0° | 179.6° |
| C2 | C1 | C32 | H32 | 180.0° | 66.3° |
| C2 | C1 | C32 | H32A | 60.0° | 53.7° |
| C2 | C1 | C32 | H32B | 60.0° | 173.7° |
| C32 | C1 | C6 | C31 | 120.4° | 119.7° |
| C32 | C1 | C2 | C3 | 77.8° | 170.0° |
| C32 | C1 | C2 | H2 | 162.2° | 70.2° |
| C32 | C1 | C2 | H2A | 42.2° | 50.1° |
| C32 | C1 | C6 | C5 | 102.2° | 137.4° |
| C32 | C1 | C6 | C7 | 72.1° | 42.6° |
| C32 | C1 | C31 | H31 | 60.1° | 60.0° |
| C32 | C1 | C31 | H31A | 59.9° | 180.0° |
| C32 | C1 | C31 | H31B | 179.9° | 59.9° |
| C1 | C32 | H32 | H32A | 120.0° | 119.9° |
| C1 | C32 | H32 | H32B | 120.0° | 120.0° |
| C1 | C32 | H32A | H32B | 120.0° | 120.0° |
| C6 | C1 | C2 | C3 | 42.7° | 49.8° |
| C6 | C1 | C2 | H2 | 77.3° | 169.6° |
| C6 | C1 | C2 | H2A | 162.7° | 70.0° |
| C1 | C6 | C5 | C4 | 8.5° | 0.4° |
| C1 | C6 | C5 | C33 | 178.7° | 179.6° |
| C1 | C6 | C5 | C7 | 173.7° | 180.0° |
| C1 | C6 | C7 | C8 | 129.0° | 123.8° |
| C1 | C6 | C7 | H7 | 51.0° | 56.2° |
| C6 | C1 | C31 | H31 | 60.3° | 179.7° |
| C6 | C1 | C31 | H31A | 179.8° | 60.3° |
| C6 | C1 | C31 | H31B | 59.8° | 59.7° |
| C6 | C1 | C32 | H32 | 59.3° | 54.4° |
| C6 | C1 | C32 | H32A | 60.6° | 174.3° |
| C6 | C1 | C32 | H32B | 179.3° | 65.7° |
| C31 | C1 | C2 | C3 | 162.7° | 70.3° |
| C31 | C1 | C2 | H2 | 42.7° | 49.5° |
| C31 | C1 | C2 | H2A | 77.4° | 169.8° |
| C31 | C1 | C6 | C5 | 137.4° | 102.9° |
| C31 | C1 | C6 | C7 | 48.3° | 77.1° |
| C1 | C31 | H31 | H31A | 120.0° | 120.0° |
| C1 | C31 | H31 | H31B | 120.0° | 120.0° |
| C1 | C31 | H31A | H31B | 120.0° | 120.0° |
| C31 | C1 | C32 | H32 | 61.4° | 174.1° |
| C31 | C1 | C32 | H32A | 178.7° | 66.0° |
| C31 | C1 | C32 | H32B | 58.6° | 54.1° |
| C3 | C2 | H2 | H2A | 117.6° | 120.5° |
| C2 | C3 | C4 | H3 | 120.0° | 119.7° |
| C2 | C3 | C4 | H3A | 120.0° | 119.8° |
| C2 | C3 | H3 | H3A | 118.7° | 120.5° |
| C2 | C3 | C4 | C5 | 43.5° | 49.8° |
| C2 | C3 | C4 | H4 | 76.5° | 170.1° |
| C2 | C3 | C4 | H4A | 163.5° | 70.4° |
| H2 | C2 | C3 | C4 | 62.4° | 172.0° |
| H2 | C2 | C3 | H3 | 57.6° | 68.3° |
| H2 | C2 | C3 | H3A | 177.6° | 52.3° |
| H2A | C2 | C3 | C4 | 177.6° | 51.6° |
| H2A | C2 | C3 | H3 | 62.4° | 171.3° |
| H2A | C2 | C3 | H3A | 57.6° | 68.1° |
| C4 | C3 | H3 | H3A | 118.7° | 120.4° |
| C3 | C4 | C5 | H4 | 120.0° | 120.3° |
| C3 | C4 | C5 | H4A | 120.0° | 120.2° |
| C3 | C4 | H4 | H4A | 118.5° | 119.6° |
| C3 | C4 | C5 | C33 | 165.7° | 162.8° |
| C3 | C4 | C5 | C6 | 20.4° | 17.1° |
| H3 | C3 | C4 | C5 | 163.5° | 69.9° |
| H3 | C3 | C4 | H4 | 43.5° | 50.3° |
| H3 | C3 | C4 | H4A | 76.5° | 169.9° |
| H3A | C3 | C4 | C5 | 76.5° | 169.6° |
| H3A | C3 | C4 | H4 | 163.5° | 70.2° |
| H3A | C3 | C4 | H4A | 43.5° | 49.4° |
| C5 | C4 | H4 | H4A | 118.5° | 119.6° |
| C4 | C5 | C33 | C6 | 173.5° | 179.9° |
| C4 | C5 | C6 | C7 | 177.8° | 179.6° |
| C4 | C5 | C33 | H33 | 180.0° | 4.2° |
| C4 | C5 | C33 | H33A | 60.0° | 115.8° |
| C4 | C5 | C33 | H33B | 60.0° | 124.2° |
| H4 | C4 | C5 | C33 | 74.3° | 42.5° |
| H4 | C4 | C5 | C6 | 99.5° | 137.4° |
| H4A | C4 | C5 | C33 | 45.7° | 77.0° |
| H4A | C4 | C5 | C6 | 140.4° | 103.0° |
| C33 | C5 | C6 | C7 | 5.0° | 0.4° |
| C5 | C33 | H33 | H33A | 120.0° | 120.0° |
| C5 | C33 | H33 | H33B | 120.0° | 120.0° |
| C5 | C33 | H33A | H33B | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 56.8° | 56.2° |
| C5 | C6 | C7 | H7 | 123.2° | 123.8° |
| C6 | C5 | C33 | H33 | 6.4° | 175.7° |
| C6 | C5 | C33 | H33A | 113.5° | 64.3° |
| C6 | C5 | C33 | H33B | 126.5° | 55.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 178.7° | 174.8° |
| C6 | C7 | C8 | H8 | 1.2° | 5.2° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 175.0° | 180.0° |
| C7 | C8 | C9 | C34 | 0.3° | 0.0° |
| H7 | C7 | C8 | C9 | 1.3° | 5.2° |
| H7 | C7 | C8 | H8 | 178.8° | 174.8° |
| C8 | C9 | C10 | C34 | 175.8° | 180.0° |
| C8 | C9 | C10 | C11 | 179.7° | 180.0° |
| C8 | C9 | C10 | H10 | 0.3° | 0.0° |
| C8 | C9 | C34 | H34 | 180.0° | 90.0° |
| C8 | C9 | C34 | H34A | 60.0° | 150.0° |
| C8 | C9 | C34 | H34B | 60.0° | 30.0° |
| H8 | C8 | C9 | C10 | 5.0° | 0.0° |
| H8 | C8 | C9 | C34 | 179.6° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 158.8° | 180.0° |
| C9 | C10 | C11 | H11 | 21.2° | 0.0° |
| C10 | C9 | C34 | H34 | 4.4° | 90.0° |
| C10 | C9 | C34 | H34A | 124.4° | 30.0° |
| C10 | C9 | C34 | H34B | 115.6° | 150.0° |
| C34 | C9 | C10 | C11 | 3.9° | 0.0° |
| C34 | C9 | C10 | H10 | 176.1° | 180.0° |
| C9 | C34 | H34 | H34A | 120.0° | 120.0° |
| C9 | C34 | H34 | H34B | 120.0° | 120.0° |
| C9 | C34 | H34A | H34B | 120.0° | 120.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 170.9° | 180.0° |
| C10 | C11 | C12 | H12 | 9.1° | 0.0° |
| H10 | C10 | C11 | C12 | 21.1° | 0.0° |
| H10 | C10 | C11 | H11 | 158.8° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 171.4° | 180.0° |
| C11 | C12 | C13 | C35 | 15.6° | 0.0° |
| H11 | C11 | C12 | C13 | 9.1° | 0.0° |
| H11 | C11 | C12 | H12 | 170.9° | 179.9° |
| C12 | C13 | C14 | C35 | 172.6° | 180.0° |
| C12 | C13 | C14 | C15 | 169.8° | 180.0° |
| C12 | C13 | C14 | H14 | 10.2° | 0.0° |
| C12 | C13 | C35 | H35 | 180.0° | 89.9° |
| C12 | C13 | C35 | H35A | 60.0° | 150.0° |
| C12 | C13 | C35 | H35B | 60.0° | 30.0° |
| H12 | C12 | C13 | C14 | 8.5° | 0.0° |
| H12 | C12 | C13 | C35 | 164.4° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 168.2° | 180.0° |
| C13 | C14 | C15 | H15 | 11.8° | 0.1° |
| C14 | C13 | C35 | H35 | 7.2° | 90.1° |
| C14 | C13 | C35 | H35A | 112.8° | 30.0° |
| C14 | C13 | C35 | H35B | 127.2° | 150.0° |
| C35 | C13 | C14 | C15 | 2.8° | 0.0° |
| C35 | C13 | C14 | H14 | 177.3° | 180.0° |
| C13 | C35 | H35 | H35A | 120.0° | 120.1° |
| C13 | C35 | H35 | H35B | 120.0° | 120.0° |
| C13 | C35 | H35A | H35B | 120.0° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 171.4° | 180.0° |
| C14 | C15 | C16 | H16 | 8.6° | 0.0° |
| H14 | C14 | C15 | C16 | 11.8° | 0.1° |
| H14 | C14 | C15 | H15 | 168.2° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 171.5° | 180.0° |
| C15 | C16 | C17 | H17 | 8.5° | 0.0° |
| H15 | C15 | C16 | C17 | 8.5° | 0.0° |
| H15 | C15 | C16 | H16 | 171.4° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C36 | 7.6° | 0.1° |
| C16 | C17 | C18 | C19 | 170.0° | 180.0° |
| H16 | C16 | C17 | C18 | 8.5° | 0.0° |
| H16 | C16 | C17 | H17 | 171.5° | 179.9° |
| C17 | C18 | C36 | C19 | 177.6° | 179.9° |
| C17 | C18 | C19 | C20 | 175.9° | 179.9° |
| C17 | C18 | C19 | H19 | 4.1° | 0.0° |
| C17 | C18 | C36 | H36 | 180.0° | 90.0° |
| C17 | C18 | C36 | H36A | 60.0° | 149.9° |
| C17 | C18 | C36 | H36B | 60.0° | 29.9° |
| H17 | C17 | C18 | C36 | 172.4° | 180.0° |
| H17 | C17 | C18 | C19 | 10.0° | 0.1° |
| C36 | C18 | C19 | C20 | 6.6° | 0.0° |
| C36 | C18 | C19 | H19 | 173.4° | 180.0° |
| C18 | C36 | H36 | H36A | 120.0° | 120.0° |
| C18 | C36 | H36 | H36B | 120.0° | 120.0° |
| C18 | C36 | H36A | H36B | 120.0° | 120.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 175.6° | 180.0° |
| C18 | C19 | C20 | H20 | 4.4° | 0.0° |
| C19 | C18 | C36 | H36 | 2.4° | 90.0° |
| C19 | C18 | C36 | H36A | 122.4° | 30.0° |
| C19 | C18 | C36 | H36B | 117.7° | 150.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 173.7° | 180.0° |
| C19 | C20 | C21 | H21 | 6.3° | 0.0° |
| H19 | C19 | C20 | C21 | 4.4° | 0.0° |
| H19 | C19 | C20 | H20 | 175.6° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C37 | 0.8° | 0.0° |
| C20 | C21 | C22 | C23 | 171.1° | 180.0° |
| H20 | C20 | C21 | C22 | 6.3° | 0.0° |
| H20 | C20 | C21 | H21 | 173.7° | 179.9° |
| C21 | C22 | C37 | C23 | 172.5° | 180.0° |
| C21 | C22 | C23 | C24 | 176.8° | 180.0° |
| C21 | C22 | C23 | H23 | 3.2° | 0.1° |
| C21 | C22 | C37 | H37 | 180.0° | 90.0° |
| C21 | C22 | C37 | H37A | 60.0° | 150.0° |
| C21 | C22 | C37 | H37B | 60.0° | 30.0° |
| H21 | C21 | C22 | C37 | 179.2° | 180.0° |
| H21 | C21 | C22 | C23 | 8.8° | 0.1° |
| C37 | C22 | C23 | C24 | 4.8° | 0.0° |
| C37 | C22 | C23 | H23 | 175.2° | 180.0° |
| C22 | C37 | H37 | H37A | 120.0° | 120.0° |
| C22 | C37 | H37 | H37B | 120.0° | 120.0° |
| C22 | C37 | H37A | H37B | 120.0° | 120.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 174.7° | 175.2° |
| C22 | C23 | C24 | H24 | 5.3° | 4.8° |
| C23 | C22 | C37 | H37 | 7.5° | 90.0° |
| C23 | C22 | C37 | H37A | 127.6° | 30.0° |
| C23 | C22 | C37 | H37B | 112.5° | 150.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C30 | 57.8° | 123.6° |
| C23 | C24 | C25 | C26 | 131.8° | 56.0° |
| H23 | C23 | C24 | C25 | 5.2° | 4.9° |
| H23 | C23 | C24 | H24 | 174.7° | 175.2° |
| C24 | C25 | C30 | C26 | 171.2° | 179.7° |
| C24 | C25 | C26 | C38 | 7.2° | 0.1° |
| C24 | C25 | C26 | C27 | 176.8° | 179.9° |
| C24 | C25 | C30 | C29 | 156.8° | 150.4° |
| C24 | C25 | C30 | C39 | 79.4° | 89.5° |
| C24 | C25 | C30 | C40 | 34.6° | 30.6° |
| H24 | C24 | C25 | C30 | 122.3° | 56.3° |
| H24 | C24 | C25 | C26 | 48.2° | 124.0° |
| C30 | C25 | C26 | C38 | 177.5° | 179.6° |
| C30 | C25 | C26 | C27 | 6.5° | 0.4° |
| C25 | C30 | C29 | C28 | 47.2° | 58.0° |
| C25 | C30 | C29 | C39 | 122.1° | 120.0° |
| C25 | C30 | C29 | C40 | 127.1° | 119.8° |
| C25 | C30 | C29 | H29 | 72.8° | 62.0° |
| C25 | C30 | C29 | H29A | 167.2° | 177.7° |
| C25 | C30 | C39 | C40 | 122.7° | 120.0° |
| C25 | C30 | C39 | H39 | 180.0° | 60.0° |
| C25 | C30 | C39 | H39A | 60.0° | 180.0° |
| C25 | C30 | C39 | H39B | 60.0° | 60.0° |
| C25 | C30 | C40 | H40 | 180.0° | 60.2° |
| C25 | C30 | C40 | H40A | 60.0° | 179.8° |
| C25 | C30 | C40 | H40B | 60.0° | 59.8° |
| C25 | C26 | C38 | C27 | 176.2° | 180.0° |
| C25 | C26 | C27 | C28 | 8.1° | 0.1° |
| C25 | C26 | C27 | O27 | 175.2° | 179.9° |
| C26 | C25 | C30 | C29 | 32.0° | 30.0° |
| C26 | C25 | C30 | C39 | 91.8° | 90.2° |
| C26 | C25 | C30 | C40 | 154.2° | 149.7° |
| C25 | C26 | C38 | H38 | 180.0° | 90.0° |
| C25 | C26 | C38 | H38A | 60.0° | 149.9° |
| C25 | C26 | C38 | H38B | 60.0° | 30.0° |
| C38 | C26 | C27 | C28 | 167.9° | 180.0° |
| C38 | C26 | C27 | O27 | 8.8° | 0.1° |
| C26 | C38 | H38 | H38A | 120.0° | 120.0° |
| C26 | C38 | H38 | H38B | 120.0° | 120.0° |
| C26 | C38 | H38A | H38B | 120.0° | 120.0° |
| C26 | C27 | C28 | O27 | 177.0° | 179.9° |
| C26 | C27 | C28 | C29 | 5.5° | 29.4° |
| C26 | C27 | C28 | H28 | 125.5° | 149.3° |
| C26 | C27 | C28 | H28A | 114.5° | 90.7° |
| C27 | C26 | C38 | H38 | 3.8° | 90.0° |
| C27 | C26 | C38 | H38A | 116.2° | 30.0° |
| C27 | C26 | C38 | H38B | 123.8° | 150.0° |
| C27 | C28 | C29 | H28 | 120.0° | 119.9° |
| C27 | C28 | C29 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28A | 118.5° | 120.1° |
| C27 | C28 | C29 | C30 | 34.0° | 57.7° |
| C27 | C28 | C29 | H29 | 86.0° | 62.4° |
| C27 | C28 | C29 | H29A | 154.0° | 177.4° |
| O27 | C27 | C28 | C29 | 171.5° | 150.6° |
| O27 | C27 | C28 | H28 | 51.5° | 30.7° |
| O27 | C27 | C28 | H28A | 68.5° | 89.4° |
| C29 | C28 | H28 | H28A | 118.5° | 120.2° |
| C28 | C29 | C30 | H29 | 120.0° | 119.9° |
| C28 | C29 | C30 | H29A | 120.0° | 119.7° |
| C28 | C29 | H29 | H29A | 116.1° | 120.3° |
| C28 | C29 | C30 | C39 | 74.9° | 62.1° |
| C28 | C29 | C30 | C40 | 174.3° | 177.7° |
| H28 | C28 | C29 | C30 | 154.0° | 177.6° |
| H28 | C28 | C29 | H29 | 34.0° | 57.6° |
| H28 | C28 | C29 | H29A | 86.0° | 62.7° |
| H28A | C28 | C29 | C30 | 86.0° | 62.4° |
| H28A | C28 | C29 | H29 | 154.0° | 177.6° |
| H28A | C28 | C29 | H29A | 34.0° | 57.4° |
| C30 | C29 | H29 | H29A | 116.1° | 120.3° |
| C29 | C30 | C39 | C40 | 114.1° | 120.1° |
| C29 | C30 | C39 | H39 | 56.8° | 179.8° |
| C29 | C30 | C39 | H39A | 63.2° | 60.2° |
| C29 | C30 | C39 | H39B | 176.8° | 59.8° |
| C29 | C30 | C40 | H40 | 55.7° | 59.4° |
| C29 | C30 | C40 | H40A | 175.7° | 60.6° |
| C29 | C30 | C40 | H40B | 64.3° | 179.4° |
| H29 | C29 | C30 | C39 | 165.1° | 178.0° |
| H29 | C29 | C30 | C40 | 54.3° | 57.8° |
| H29A | C29 | C30 | C39 | 45.1° | 57.7° |
| H29A | C29 | C30 | C40 | 65.7° | 62.5° |
| C30 | C39 | H39 | H39A | 120.0° | 120.0° |
| C30 | C39 | H39 | H39B | 120.0° | 120.0° |
| C30 | C39 | H39A | H39B | 120.0° | 120.0° |
| C39 | C30 | C40 | H40 | 61.9° | 179.7° |
| C39 | C30 | C40 | H40A | 58.1° | 59.7° |
| C39 | C30 | C40 | H40B | 178.1° | 60.2° |
| C40 | C30 | C39 | H39 | 57.3° | 60.0° |
| C40 | C30 | C39 | H39A | 177.3° | 60.0° |
| C40 | C30 | C39 | H39B | 62.7° | 179.9° |
| C30 | C40 | H40 | H40A | 120.0° | 120.0° |
| C30 | C40 | H40 | H40B | 120.0° | 120.0° |
| C30 | C40 | H40A | H40B | 120.0° | 119.9° |
| H31 | C31 | H31A | H31B | 120.0° | 120.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.1° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.1° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H36 | C36 | H36A | H36B | 120.0° | 120.1° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
| H39 | C39 | H39A | H39B | 120.0° | 119.9° |
| H40 | C40 | H40A | H40B | 120.0° | 120.1° |
