A1JD7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C6 | sing | 1.54Å | 1.53Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C3 | C4 | sing | 1.50Å | 1.47Å | |
| C3 | C10 | doub | 1.33Å | 1.35Å | |
| C4 | C5 | sing | 1.56Å | 1.55Å | |
| C4 | C7 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C9 | sing | 1.52Å | 1.54Å | |
| C5 | C21 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.55Å | 1.55Å | |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C9 | C22 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.46Å | 1.42Å | |
| C11 | C12 | doub | 1.35Å | 1.33Å | |
| C12 | C13 | sing | 1.52Å | 1.51Å | |
| C12 | C17 | sing | 1.48Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | O20 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.52Å | 1.50Å | |
| C16 | O19 | sing | 1.43Å | 1.39Å | |
| C17 | C18 | doub | 1.33Å | 1.31Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.51Å | 1.47Å | |
| C25 | C26 | doub | 1.33Å | 1.32Å | |
| C26 | B27 | sing | 1.57Å | 1.53Å | |
| B27 | O28 | sing | 1.43Å | 1.36Å | |
| B27 | O31 | sing | 1.43Å | 1.36Å | |
| O28 | C29 | sing | 1.44Å | 1.46Å | |
| C29 | C30 | sing | 1.54Å | 1.55Å | |
| C29 | C34 | sing | 1.53Å | 1.53Å | |
| C29 | C35 | sing | 1.53Å | 1.53Å | |
| C30 | O31 | sing | 1.44Å | 1.45Å | |
| C30 | C32 | sing | 1.53Å | 1.51Å | |
| C30 | C33 | sing | 1.53Å | 1.52Å | |
| C7 | HC7A | sing | 1.09Å | 1.10Å | |
| C7 | HC7B | sing | 1.09Å | 1.10Å | |
| C8 | HC8A | sing | 1.09Å | 1.10Å | |
| C8 | HC8B | sing | 1.09Å | 1.10Å | |
| C9 | HC9 | sing | 1.09Å | 1.10Å | |
| C1 | HC1A | sing | 1.09Å | 1.10Å | |
| C1 | HC1B | sing | 1.09Å | 1.10Å | |
| C6 | HC6A | sing | 1.09Å | 1.10Å | |
| C6 | HC6B | sing | 1.09Å | 1.10Å | |
| C4 | HC4 | sing | 1.09Å | 1.10Å | |
| C2 | HC2B | sing | 1.09Å | 1.10Å | |
| C2 | HC2A | sing | 1.09Å | 1.10Å | |
| C10 | HC10 | sing | 1.08Å | 1.08Å | |
| C11 | HC11 | sing | 1.08Å | 1.08Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | HC14 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | HC16 | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.08Å | 1.08Å | |
| C18 | H18A | sing | 1.08Å | 1.08Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21C | sing | 1.09Å | 1.10Å | |
| C22 | HC22 | sing | 1.09Å | 1.10Å | |
| C23 | H23C | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | HC25 | sing | 1.08Å | 1.08Å | |
| C26 | HC26 | sing | 1.08Å | 1.08Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34C | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35C | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 113.6° | 111.8° |
| C1 | C2 | C3 | 111.1° | 110.7° |
| C2 | C1 | HC1A | 108.4° | 109.0° |
| C2 | C1 | HC1B | 108.4° | 109.0° |
| C1 | C2 | HC2B | 109.1° | 109.2° |
| C1 | C2 | HC2A | 109.0° | 109.2° |
| C1 | C6 | C5 | 113.6° | 107.5° |
| C6 | C1 | HC1A | 108.4° | 109.1° |
| C6 | C1 | HC1B | 108.4° | 109.0° |
| C1 | C6 | HC6A | 108.4° | 109.8° |
| C1 | C6 | HC6B | 108.4° | 109.8° |
| C2 | C3 | C4 | 111.8° | 115.2° |
| C2 | C3 | C10 | 123.1° | 122.4° |
| C3 | C2 | HC2B | 109.1° | 109.3° |
| C3 | C2 | HC2A | 109.1° | 109.2° |
| C4 | C3 | C10 | 125.1° | 122.4° |
| C3 | C4 | C5 | 112.5° | 105.5° |
| C3 | C4 | C7 | 120.1° | 116.7° |
| C3 | C4 | HC4 | 107.2° | 111.1° |
| C3 | C10 | C11 | 128.1° | 120.0° |
| C3 | C10 | HC10 | 116.0° | 120.0° |
| C5 | C4 | C7 | 103.6° | 101.2° |
| C4 | C5 | C6 | 106.7° | 107.6° |
| C4 | C5 | C9 | 98.7° | 103.2° |
| C4 | C5 | C21 | 110.0° | 108.6° |
| C5 | C4 | HC4 | 106.3° | 110.9° |
| C4 | C7 | C8 | 103.9° | 102.8° |
| C4 | C7 | HC7A | 110.8° | 110.7° |
| C4 | C7 | HC7B | 110.8° | 110.9° |
| C7 | C4 | HC4 | 106.3° | 110.8° |
| C6 | C5 | C9 | 116.3° | 118.3° |
| C6 | C5 | C21 | 110.4° | 109.3° |
| C5 | C6 | HC6A | 108.4° | 109.9° |
| C5 | C6 | HC6B | 108.4° | 109.8° |
| C9 | C5 | C21 | 113.8° | 109.3° |
| C5 | C9 | C8 | 103.8° | 105.0° |
| C5 | C9 | C22 | 120.1° | 110.3° |
| C5 | C9 | HC9 | 106.7° | 110.4° |
| C5 | C21 | H21B | 109.5° | 109.5° |
| C5 | C21 | H21A | 109.5° | 109.5° |
| C5 | C21 | H21C | 109.4° | 109.5° |
| C7 | C8 | C9 | 105.9° | 106.3° |
| C8 | C7 | HC7A | 110.8° | 110.7° |
| C8 | C7 | HC7B | 110.8° | 110.8° |
| C7 | C8 | HC8A | 110.4° | 110.1° |
| C7 | C8 | HC8B | 110.4° | 110.1° |
| C8 | C9 | C22 | 112.1° | 110.3° |
| C9 | C8 | HC8A | 110.4° | 110.1° |
| C9 | C8 | HC8B | 110.4° | 110.1° |
| C8 | C9 | HC9 | 106.8° | 110.3° |
| C9 | C22 | C23 | 113.4° | 109.4° |
| C9 | C22 | C24 | 109.2° | 109.5° |
| C22 | C9 | HC9 | 106.7° | 110.3° |
| C9 | C22 | HC22 | 108.2° | 109.5° |
| C10 | C11 | C12 | 127.9° | 120.0° |
| C11 | C10 | HC10 | 116.0° | 120.0° |
| C10 | C11 | HC11 | 116.0° | 120.0° |
| C11 | C12 | C13 | 120.2° | 121.6° |
| C11 | C12 | C17 | 123.5° | 121.6° |
| C12 | C11 | HC11 | 116.0° | 120.0° |
| C13 | C12 | C17 | 116.1° | 116.8° |
| C12 | C13 | C14 | 112.1° | 108.3° |
| C12 | C13 | H13B | 108.8° | 109.7° |
| C12 | C13 | H13A | 108.8° | 109.7° |
| C12 | C17 | C16 | 113.0° | 116.5° |
| C12 | C17 | C18 | 127.6° | 121.6° |
| C13 | C14 | C15 | 108.9° | 109.8° |
| C13 | C14 | O20 | 109.4° | 109.4° |
| C14 | C13 | H13B | 108.8° | 109.7° |
| C14 | C13 | H13A | 108.8° | 109.7° |
| C13 | C14 | HC14 | 109.0° | 109.5° |
| C15 | C14 | O20 | 110.4° | 109.4° |
| C14 | C15 | C16 | 110.0° | 109.8° |
| C15 | C14 | HC14 | 109.0° | 109.4° |
| C14 | C15 | H15A | 109.3° | 109.4° |
| C14 | C15 | H15B | 109.3° | 109.4° |
| O20 | C14 | HC14 | 110.0° | 109.3° |
| C14 | O20 | HO20 | 109.5° | 114.0° |
| C15 | C16 | C17 | 110.5° | 108.3° |
| C15 | C16 | O19 | 110.4° | 109.7° |
| C16 | C15 | H15A | 109.3° | 109.4° |
| C16 | C15 | H15B | 109.3° | 109.4° |
| C15 | C16 | HC16 | 106.9° | 109.7° |
| C17 | C16 | O19 | 113.3° | 109.9° |
| C16 | C17 | C18 | 119.3° | 121.8° |
| C17 | C16 | HC16 | 107.0° | 109.6° |
| O19 | C16 | HC16 | 108.4° | 109.7° |
| C16 | O19 | HO19 | 109.5° | 114.0° |
| C17 | C18 | H18B | 120.0° | 120.0° |
| C17 | C18 | H18A | 120.0° | 120.0° |
| C23 | C22 | C24 | 109.3° | 109.5° |
| C23 | C22 | HC22 | 108.4° | 109.5° |
| C22 | C23 | H23C | 109.5° | 109.5° |
| C22 | C23 | H23B | 109.4° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| C22 | C24 | C25 | 102.3° | 109.5° |
| C24 | C22 | HC22 | 108.3° | 109.5° |
| C22 | C24 | H24B | 111.2° | 109.5° |
| C22 | C24 | H24A | 111.2° | 109.5° |
| C24 | C25 | C26 | 114.7° | 120.0° |
| C25 | C24 | H24B | 111.2° | 109.5° |
| C25 | C24 | H24A | 111.3° | 109.5° |
| C24 | C25 | HC25 | 122.6° | 120.0° |
| C25 | C26 | B27 | 117.4° | 120.0° |
| C26 | C25 | HC25 | 122.6° | 120.0° |
| C25 | C26 | HC26 | 121.3° | 120.0° |
| C26 | B27 | O28 | 122.7° | 127.6° |
| C26 | B27 | O31 | 124.5° | 127.5° |
| B27 | C26 | HC26 | 121.3° | 120.0° |
| O28 | B27 | O31 | 112.8° | 104.9° |
| B27 | O28 | C29 | 106.9° | 104.7° |
| B27 | O31 | C30 | 106.0° | 104.6° |
| O28 | C29 | C30 | 101.4° | 104.7° |
| O28 | C29 | C34 | 105.4° | 110.4° |
| O28 | C29 | C35 | 107.9° | 110.5° |
| C30 | C29 | C34 | 116.8° | 110.4° |
| C30 | C29 | C35 | 113.0° | 110.4° |
| C29 | C30 | O31 | 101.0° | 104.7° |
| C29 | C30 | C32 | 115.7° | 110.4° |
| C29 | C30 | C33 | 113.2° | 110.4° |
| C34 | C29 | C35 | 111.2° | 110.4° |
| C29 | C34 | H34B | 109.5° | 109.5° |
| C29 | C34 | H34A | 109.5° | 109.5° |
| C29 | C34 | H34C | 109.5° | 109.5° |
| C29 | C35 | H35A | 109.5° | 109.5° |
| C29 | C35 | H35C | 109.5° | 109.5° |
| C29 | C35 | H35B | 109.4° | 109.5° |
| O31 | C30 | C32 | 106.7° | 110.4° |
| O31 | C30 | C33 | 108.1° | 110.4° |
| C32 | C30 | C33 | 111.1° | 110.4° |
| C30 | C32 | H32B | 109.5° | 109.5° |
| C30 | C32 | H32C | 109.4° | 109.5° |
| C30 | C32 | H32A | 109.5° | 109.5° |
| C30 | C33 | H33C | 109.5° | 109.5° |
| C30 | C33 | H33B | 109.4° | 109.5° |
| C30 | C33 | H33A | 109.4° | 109.5° |
| HC7A | C7 | HC7B | 109.5° | 110.7° |
| HC8A | C8 | HC8B | 109.4° | 110.1° |
| HC1A | C1 | HC1B | 109.5° | 108.9° |
| HC6A | C6 | HC6B | 109.4° | 109.9° |
| HC2B | C2 | HC2A | 109.5° | 109.2° |
| H13B | C13 | H13A | 109.4° | 109.7° |
| H15A | C15 | H15B | 109.4° | 109.4° |
| H18B | C18 | H18A | 120.0° | 120.0° |
| H21B | C21 | H21A | 109.5° | 109.5° |
| H21B | C21 | H21C | 109.5° | 109.5° |
| H21A | C21 | H21C | 109.5° | 109.4° |
| H23C | C23 | H23B | 109.5° | 109.4° |
| H23C | C23 | H23A | 109.4° | 109.5° |
| H23B | C23 | H23A | 109.5° | 109.5° |
| H24B | C24 | H24A | 109.5° | 109.4° |
| H32B | C32 | H32C | 109.5° | 109.5° |
| H32B | C32 | H32A | 109.4° | 109.5° |
| H32C | C32 | H32A | 109.5° | 109.4° |
| H33C | C33 | H33B | 109.5° | 109.5° |
| H33C | C33 | H33A | 109.5° | 109.5° |
| H33B | C33 | H33A | 109.5° | 109.4° |
| H34B | C34 | H34A | 109.5° | 109.5° |
| H34B | C34 | H34C | 109.5° | 109.5° |
| H34A | C34 | H34C | 109.4° | 109.5° |
| H35A | C35 | H35C | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H35C | C35 | H35B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | HC1A | 120.6° | 120.6° |
| C2 | C1 | C6 | HC1B | 120.6° | 120.6° |
| C1 | C2 | C3 | HC2B | 120.2° | 120.4° |
| C1 | C2 | C3 | HC2A | 120.2° | 120.3° |
| C1 | C2 | C3 | C4 | 52.3° | 50.2° |
| C1 | C2 | C3 | C10 | 126.7° | 129.8° |
| C2 | C1 | C6 | C5 | 49.0° | 59.1° |
| C2 | C1 | HC1A | HC1B | 118.1° | 118.8° |
| C2 | C1 | C6 | HC6A | 71.6° | 60.5° |
| C2 | C1 | C6 | HC6B | 169.6° | 178.5° |
| C1 | C2 | HC2B | HC2A | 119.2° | 119.4° |
| C6 | C1 | C2 | C3 | 45.9° | 48.6° |
| C1 | C6 | C5 | C4 | 53.8° | 68.1° |
| C1 | C6 | C5 | HC6A | 120.7° | 119.5° |
| C1 | C6 | C5 | HC6B | 120.6° | 119.5° |
| C1 | C6 | C5 | C9 | 162.7° | 175.7° |
| C1 | C6 | C5 | C21 | 65.7° | 49.7° |
| C6 | C1 | HC1A | HC1B | 118.1° | 118.9° |
| C1 | C6 | HC6A | HC6B | 118.1° | 121.0° |
| C6 | C1 | C2 | HC2B | 166.2° | 168.9° |
| C6 | C1 | C2 | HC2A | 74.3° | 71.7° |
| C2 | C3 | C4 | C10 | 179.0° | 180.0° |
| C2 | C3 | C4 | C5 | 62.0° | 58.1° |
| C2 | C3 | C4 | C7 | 175.8° | 169.6° |
| C2 | C3 | C10 | C11 | 4.8° | 0.1° |
| C3 | C2 | C1 | HC1A | 166.5° | 72.1° |
| C3 | C2 | C1 | HC1B | 74.7° | 169.2° |
| C2 | C3 | C4 | HC4 | 54.4° | 62.1° |
| C3 | C2 | HC2B | HC2A | 119.3° | 119.4° |
| C2 | C3 | C10 | HC10 | 175.2° | 180.0° |
| C3 | C4 | C5 | C7 | 131.1° | 122.1° |
| C3 | C4 | C5 | HC4 | 117.0° | 120.4° |
| C3 | C4 | C7 | HC4 | 121.7° | 128.4° |
| C3 | C4 | C5 | C6 | 60.9° | 66.5° |
| C3 | C4 | C5 | C9 | 178.2° | 167.7° |
| C3 | C4 | C5 | C21 | 58.8° | 51.7° |
| C3 | C4 | C7 | C8 | 156.9° | 156.2° |
| C4 | C3 | C10 | C11 | 176.3° | 180.0° |
| C3 | C4 | C7 | HC7A | 37.8° | 85.5° |
| C3 | C4 | C7 | HC7B | 84.0° | 37.8° |
| C4 | C3 | C2 | HC2B | 172.6° | 170.6° |
| C4 | C3 | C2 | HC2A | 67.9° | 70.1° |
| C4 | C3 | C10 | HC10 | 3.7° | 0.0° |
| C10 | C3 | C4 | C5 | 117.0° | 121.8° |
| C10 | C3 | C4 | C7 | 5.2° | 10.3° |
| C3 | C10 | C11 | HC10 | 180.0° | 180.0° |
| C3 | C10 | C11 | C12 | 156.7° | 180.0° |
| C10 | C3 | C4 | HC4 | 126.6° | 118.0° |
| C10 | C3 | C2 | HC2B | 6.5° | 9.4° |
| C10 | C3 | C2 | HC2A | 113.1° | 110.0° |
| C3 | C10 | C11 | HC11 | 23.3° | 0.0° |
| C5 | C4 | C7 | HC4 | 111.8° | 117.7° |
| C4 | C5 | C6 | C9 | 108.9° | 116.3° |
| C4 | C5 | C6 | C21 | 119.5° | 117.8° |
| C4 | C5 | C9 | C21 | 116.4° | 115.5° |
| C5 | C4 | C7 | C8 | 30.5° | 42.3° |
| C4 | C5 | C9 | C8 | 45.8° | 30.3° |
| C4 | C5 | C9 | C22 | 171.9° | 149.1° |
| C5 | C4 | C7 | HC7A | 88.6° | 160.6° |
| C5 | C4 | C7 | HC7B | 149.6° | 76.1° |
| C4 | C5 | C9 | HC9 | 66.8° | 88.7° |
| C4 | C5 | C6 | HC6A | 66.9° | 51.4° |
| C4 | C5 | C6 | HC6B | 174.4° | 172.4° |
| C4 | C5 | C21 | H21B | 180.0° | 57.8° |
| C4 | C5 | C21 | H21A | 60.0° | 62.2° |
| C4 | C5 | C21 | H21C | 60.0° | 177.8° |
| C7 | C4 | C5 | C6 | 167.9° | 171.4° |
| C7 | C4 | C5 | C9 | 47.0° | 45.6° |
| C7 | C4 | C5 | C21 | 72.3° | 70.3° |
| C4 | C7 | C8 | HC7A | 119.1° | 118.3° |
| C4 | C7 | C8 | HC7B | 119.1° | 118.5° |
| C4 | C7 | C8 | C9 | 1.7° | 24.2° |
| C4 | C7 | HC7A | HC7B | 122.5° | 123.4° |
| C4 | C7 | C8 | HC8A | 121.1° | 143.4° |
| C4 | C7 | C8 | HC8B | 117.8° | 95.0° |
| C6 | C5 | C9 | C21 | 130.0° | 126.0° |
| C6 | C5 | C9 | C8 | 159.4° | 148.8° |
| C6 | C5 | C9 | C22 | 74.6° | 92.3° |
| C6 | C5 | C9 | HC9 | 46.8° | 29.9° |
| C5 | C6 | C1 | HC1A | 169.6° | 61.5° |
| C5 | C6 | C1 | HC1B | 71.6° | 179.7° |
| C5 | C6 | HC6A | HC6B | 118.1° | 120.9° |
| C6 | C5 | C4 | HC4 | 56.1° | 53.8° |
| C6 | C5 | C21 | H21B | 62.5° | 59.3° |
| C6 | C5 | C21 | H21A | 57.5° | 179.3° |
| C6 | C5 | C21 | H21C | 177.5° | 60.7° |
| C5 | C9 | C8 | C7 | 28.0° | 4.0° |
| C5 | C9 | C8 | C22 | 131.0° | 118.9° |
| C5 | C9 | C8 | HC9 | 112.5° | 119.0° |
| C5 | C9 | C22 | HC9 | 121.4° | 122.3° |
| C5 | C9 | C22 | C23 | 142.0° | 63.0° |
| C5 | C9 | C22 | C24 | 95.8° | 177.1° |
| C5 | C9 | C8 | HC8A | 91.5° | 115.3° |
| C5 | C9 | C8 | HC8B | 147.4° | 123.2° |
| C9 | C5 | C6 | HC6A | 42.1° | 64.8° |
| C9 | C5 | C6 | HC6B | 76.7° | 56.2° |
| C9 | C5 | C4 | HC4 | 64.8° | 72.0° |
| C9 | C5 | C21 | H21B | 70.4° | 169.8° |
| C9 | C5 | C21 | H21A | 169.6° | 49.7° |
| C9 | C5 | C21 | H21C | 49.6° | 70.2° |
| C5 | C9 | C22 | HC22 | 21.8° | 57.0° |
| C21 | C5 | C9 | C8 | 70.6° | 85.2° |
| C21 | C5 | C9 | C22 | 55.4° | 33.6° |
| C21 | C5 | C9 | HC9 | 176.8° | 155.8° |
| C21 | C5 | C6 | HC6A | 173.6° | 169.2° |
| C21 | C5 | C6 | HC6B | 54.9° | 69.8° |
| C21 | C5 | C4 | HC4 | 175.9° | 172.1° |
| C5 | C21 | H21B | H21A | 120.0° | 120.0° |
| C5 | C21 | H21B | H21C | 120.0° | 120.0° |
| C5 | C21 | H21A | H21C | 120.0° | 120.0° |
| C7 | C8 | C9 | HC8A | 119.4° | 119.2° |
| C7 | C8 | C9 | HC8B | 119.4° | 119.2° |
| C7 | C8 | C9 | C22 | 158.9° | 122.8° |
| C8 | C7 | HC7A | HC7B | 122.6° | 123.2° |
| C7 | C8 | HC8A | HC8B | 121.6° | 121.6° |
| C7 | C8 | C9 | HC9 | 84.5° | 115.0° |
| C8 | C7 | C4 | HC4 | 81.3° | 75.3° |
| C8 | C9 | C22 | HC9 | 116.5° | 122.2° |
| C8 | C9 | C22 | C23 | 95.9° | 178.5° |
| C8 | C9 | C22 | C24 | 26.3° | 61.5° |
| C9 | C8 | C7 | HC7A | 117.4° | 142.5° |
| C9 | C8 | C7 | HC7B | 120.8° | 94.3° |
| C9 | C8 | HC8A | HC8B | 121.7° | 121.5° |
| C8 | C9 | C22 | HC22 | 143.9° | 58.6° |
| C9 | C22 | C23 | C24 | 122.1° | 120.0° |
| C9 | C22 | C23 | HC22 | 120.1° | 120.0° |
| C9 | C22 | C24 | HC22 | 117.5° | 120.1° |
| C9 | C22 | C24 | C25 | 161.5° | 175.0° |
| C22 | C9 | C8 | HC8A | 39.5° | 3.6° |
| C22 | C9 | C8 | HC8B | 81.6° | 117.9° |
| C9 | C22 | C23 | H23C | 180.0° | 60.0° |
| C9 | C22 | C23 | H23B | 60.0° | 179.9° |
| C9 | C22 | C23 | H23A | 60.0° | 60.0° |
| C9 | C22 | C24 | H24B | 42.7° | 55.0° |
| C9 | C22 | C24 | H24A | 79.6° | 64.9° |
| C10 | C11 | C12 | HC11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 176.8° | 180.0° |
| C10 | C11 | C12 | C17 | 9.5° | 0.3° |
| C11 | C12 | C13 | C17 | 174.2° | 179.7° |
| C11 | C12 | C13 | C14 | 138.6° | 133.4° |
| C11 | C12 | C17 | C16 | 139.5° | 136.8° |
| C11 | C12 | C17 | C18 | 45.3° | 43.1° |
| C12 | C11 | C10 | HC10 | 23.3° | 0.0° |
| C11 | C12 | C13 | H13B | 101.1° | 13.7° |
| C11 | C12 | C13 | H13A | 18.2° | 106.9° |
| C12 | C13 | C14 | H13B | 120.4° | 119.7° |
| C12 | C13 | C14 | H13A | 120.4° | 119.7° |
| C12 | C13 | C14 | C15 | 52.9° | 57.7° |
| C12 | C13 | C14 | O20 | 68.0° | 177.8° |
| C13 | C12 | C17 | C16 | 46.5° | 43.5° |
| C13 | C12 | C17 | C18 | 128.7° | 136.6° |
| C13 | C12 | C11 | HC11 | 3.2° | 0.0° |
| C12 | C13 | H13B | H13A | 118.8° | 120.6° |
| C12 | C13 | C14 | HC14 | 171.7° | 62.4° |
| C17 | C12 | C13 | C14 | 47.3° | 46.9° |
| C12 | C17 | C16 | C15 | 52.4° | 46.9° |
| C12 | C17 | C16 | C18 | 175.6° | 179.8° |
| C12 | C17 | C16 | O19 | 176.9° | 72.8° |
| C17 | C12 | C11 | HC11 | 170.6° | 179.7° |
| C17 | C12 | C13 | H13B | 73.1° | 166.6° |
| C17 | C12 | C13 | H13A | 167.7° | 72.8° |
| C12 | C17 | C16 | HC16 | 63.7° | 166.6° |
| C12 | C17 | C18 | H18B | 174.9° | 0.0° |
| C12 | C17 | C18 | H18A | 5.1° | 180.0° |
| C13 | C14 | C15 | O20 | 120.2° | 120.1° |
| C13 | C14 | C15 | HC14 | 118.8° | 120.2° |
| C13 | C14 | O20 | HC14 | 119.7° | 119.9° |
| C13 | C14 | C15 | C16 | 60.4° | 66.2° |
| C14 | C13 | H13B | H13A | 118.8° | 120.6° |
| C13 | C14 | C15 | H15A | 59.6° | 173.7° |
| C13 | C14 | C15 | H15B | 179.5° | 53.8° |
| C13 | C14 | O20 | HO20 | 180.0° | 60.0° |
| C15 | C14 | O20 | HC14 | 120.4° | 119.8° |
| C14 | C15 | C16 | H15A | 120.1° | 120.1° |
| C14 | C15 | C16 | H15B | 120.1° | 120.1° |
| C14 | C15 | C16 | C17 | 60.2° | 57.8° |
| C14 | C15 | C16 | O19 | 173.7° | 62.1° |
| C15 | C14 | C13 | H13B | 67.6° | 177.4° |
| C15 | C14 | C13 | H13A | 173.3° | 62.0° |
| C14 | C15 | H15A | H15B | 119.7° | 119.9° |
| C14 | C15 | C16 | HC16 | 55.9° | 177.4° |
| C15 | C14 | O20 | HO20 | 60.1° | 179.6° |
| O20 | C14 | C15 | C16 | 59.8° | 173.7° |
| O20 | C14 | C13 | H13B | 171.6° | 62.5° |
| O20 | C14 | C13 | H13A | 52.4° | 58.1° |
| O20 | C14 | C15 | H15A | 179.9° | 53.6° |
| O20 | C14 | C15 | H15B | 60.3° | 66.3° |
| C15 | C16 | C17 | O19 | 124.5° | 119.8° |
| C15 | C16 | C17 | HC16 | 116.1° | 119.6° |
| C15 | C16 | O19 | HC16 | 116.8° | 120.5° |
| C15 | C16 | C17 | C18 | 123.2° | 133.2° |
| C16 | C15 | C14 | HC14 | 179.3° | 53.9° |
| C16 | C15 | H15A | H15B | 119.7° | 119.8° |
| C15 | C16 | O19 | HO19 | 180.0° | 180.0° |
| C17 | C16 | O19 | HC16 | 118.6° | 120.5° |
| C17 | C16 | C15 | H15A | 59.9° | 177.9° |
| C17 | C16 | C15 | H15B | 179.7° | 62.2° |
| C16 | C17 | C18 | H18B | 0.0° | 179.9° |
| C16 | C17 | C18 | H18A | 180.0° | 0.2° |
| C17 | C16 | O19 | HO19 | 55.4° | 61.1° |
| O19 | C16 | C17 | C18 | 1.3° | 107.0° |
| O19 | C16 | C15 | H15A | 66.3° | 58.0° |
| O19 | C16 | C15 | H15B | 53.5° | 177.9° |
| C18 | C17 | C16 | HC16 | 120.7° | 13.6° |
| C17 | C18 | H18B | H18A | 180.0° | 180.0° |
| C23 | C22 | C24 | HC22 | 117.9° | 120.0° |
| C23 | C22 | C24 | C25 | 73.8° | 65.0° |
| C23 | C22 | C9 | HC9 | 20.7° | 59.3° |
| C22 | C23 | H23C | H23B | 120.0° | 120.0° |
| C22 | C23 | H23C | H23A | 120.0° | 120.0° |
| C22 | C23 | H23B | H23A | 120.0° | 120.0° |
| C23 | C22 | C24 | H24B | 167.3° | 175.0° |
| C23 | C22 | C24 | H24A | 45.0° | 55.0° |
| C22 | C24 | C25 | H24B | 118.8° | 120.0° |
| C22 | C24 | C25 | H24A | 118.8° | 120.1° |
| C22 | C24 | C25 | C26 | 103.3° | 125.0° |
| C24 | C22 | C9 | HC9 | 142.8° | 60.7° |
| C24 | C22 | C23 | H23C | 57.9° | 180.0° |
| C24 | C22 | C23 | H23B | 62.1° | 60.1° |
| C24 | C22 | C23 | H23A | 177.9° | 60.0° |
| C22 | C24 | H24B | H24A | 123.3° | 120.0° |
| C22 | C24 | C25 | HC25 | 76.7° | 55.1° |
| C24 | C25 | C26 | HC25 | 180.0° | 180.0° |
| C24 | C25 | C26 | B27 | 178.3° | 180.0° |
| C25 | C24 | C22 | HC22 | 44.0° | 54.9° |
| C25 | C24 | H24B | H24A | 123.4° | 120.0° |
| C24 | C25 | C26 | HC26 | 1.7° | 0.0° |
| C25 | C26 | B27 | HC26 | 180.0° | 180.0° |
| C25 | C26 | B27 | O28 | 2.3° | 180.0° |
| C25 | C26 | B27 | O31 | 174.4° | 0.3° |
| C26 | C25 | C24 | H24B | 15.5° | 5.0° |
| C26 | C25 | C24 | H24A | 137.8° | 114.9° |
| C26 | B27 | O28 | O31 | 177.1° | 179.7° |
| C26 | B27 | O28 | C29 | 179.0° | 140.7° |
| C26 | B27 | O31 | C30 | 158.2° | 140.7° |
| B27 | C26 | C25 | HC25 | 1.7° | 0.0° |
| B27 | O28 | C29 | C30 | 23.1° | 23.7° |
| B27 | O28 | C29 | C34 | 145.3° | 95.1° |
| B27 | O28 | C29 | C35 | 95.8° | 142.5° |
| O28 | B27 | O31 | C30 | 18.8° | 39.6° |
| O28 | B27 | C26 | HC26 | 177.7° | 0.0° |
| O31 | B27 | O28 | C29 | 3.9° | 39.6° |
| B27 | O31 | C30 | C29 | 31.5° | 23.7° |
| B27 | O31 | C30 | C32 | 152.8° | 142.5° |
| B27 | O31 | C30 | C33 | 87.6° | 95.1° |
| O31 | B27 | C26 | HC26 | 5.6° | 179.7° |
| O28 | C29 | C30 | C34 | 113.9° | 118.8° |
| O28 | C29 | C30 | C35 | 115.2° | 118.9° |
| O28 | C29 | C34 | C35 | 116.7° | 122.4° |
| O28 | C29 | C30 | O31 | 32.7° | 0.0° |
| O28 | C29 | C30 | C32 | 147.5° | 118.8° |
| O28 | C29 | C30 | C33 | 82.7° | 118.8° |
| O28 | C29 | C34 | H34B | 180.0° | 55.2° |
| O28 | C29 | C34 | H34A | 60.0° | 64.8° |
| O28 | C29 | C34 | H34C | 60.0° | 175.3° |
| O28 | C29 | C35 | H35A | 180.0° | 175.3° |
| O28 | C29 | C35 | H35C | 60.0° | 64.7° |
| O28 | C29 | C35 | H35B | 60.0° | 55.3° |
| C30 | C29 | C34 | C35 | 131.7° | 122.3° |
| C29 | C30 | O31 | C32 | 121.3° | 118.8° |
| C29 | C30 | O31 | C33 | 119.1° | 118.8° |
| C29 | C30 | C32 | C33 | 130.9° | 122.3° |
| C29 | C30 | C32 | H32B | 180.0° | 60.0° |
| C29 | C30 | C32 | H32C | 60.0° | 180.0° |
| C29 | C30 | C32 | H32A | 60.0° | 60.0° |
| C29 | C30 | C33 | H33C | 180.0° | 60.0° |
| C29 | C30 | C33 | H33B | 60.0° | 180.0° |
| C29 | C30 | C33 | H33A | 60.0° | 60.1° |
| C30 | C29 | C34 | H34B | 68.4° | 60.0° |
| C30 | C29 | C34 | H34A | 51.6° | 180.0° |
| C30 | C29 | C34 | H34C | 171.6° | 60.0° |
| C30 | C29 | C35 | H35A | 68.8° | 60.0° |
| C30 | C29 | C35 | H35C | 171.2° | 180.0° |
| C30 | C29 | C35 | H35B | 51.2° | 60.0° |
| C34 | C29 | C30 | O31 | 146.6° | 118.8° |
| C34 | C29 | C30 | C32 | 98.6° | 122.4° |
| C34 | C29 | C30 | C33 | 31.2° | 0.0° |
| C29 | C34 | H34B | H34A | 120.0° | 120.0° |
| C29 | C34 | H34B | H34C | 120.0° | 120.0° |
| C29 | C34 | H34A | H34C | 120.0° | 120.0° |
| C34 | C29 | C35 | H35A | 64.9° | 62.3° |
| C34 | C29 | C35 | H35C | 55.1° | 57.7° |
| C34 | C29 | C35 | H35B | 175.1° | 177.7° |
| C35 | C29 | C30 | O31 | 82.5° | 118.9° |
| C35 | C29 | C30 | C32 | 32.3° | 0.1° |
| C35 | C29 | C30 | C33 | 162.2° | 122.3° |
| C35 | C29 | C34 | H34B | 63.3° | 177.7° |
| C35 | C29 | C34 | H34A | 176.6° | 57.7° |
| C35 | C29 | C34 | H34C | 56.7° | 62.3° |
| C29 | C35 | H35A | H35C | 120.0° | 120.0° |
| C29 | C35 | H35A | H35B | 120.0° | 120.1° |
| C29 | C35 | H35C | H35B | 120.0° | 120.0° |
| O31 | C30 | C32 | C33 | 117.6° | 122.4° |
| O31 | C30 | C32 | H32B | 68.5° | 55.3° |
| O31 | C30 | C32 | H32C | 171.5° | 64.7° |
| O31 | C30 | C32 | H32A | 51.5° | 175.3° |
| O31 | C30 | C33 | H33C | 68.9° | 175.3° |
| O31 | C30 | C33 | H33B | 51.1° | 64.7° |
| O31 | C30 | C33 | H33A | 171.1° | 55.2° |
| C30 | C32 | H32B | H32C | 120.0° | 120.0° |
| C30 | C32 | H32B | H32A | 120.0° | 120.0° |
| C30 | C32 | H32C | H32A | 120.0° | 120.0° |
| C32 | C30 | C33 | H33C | 47.9° | 62.3° |
| C32 | C30 | C33 | H33B | 167.9° | 57.7° |
| C32 | C30 | C33 | H33A | 72.1° | 177.6° |
| C33 | C30 | C32 | H32B | 49.2° | 177.7° |
| C33 | C30 | C32 | H32C | 70.9° | 57.7° |
| C33 | C30 | C32 | H32A | 169.1° | 62.3° |
| C30 | C33 | H33C | H33B | 120.0° | 120.1° |
| C30 | C33 | H33C | H33A | 120.0° | 120.0° |
| C30 | C33 | H33B | H33A | 120.0° | 120.0° |
| HC7A | C7 | C8 | HC8A | 2.0° | 98.3° |
| HC7A | C7 | C8 | HC8B | 123.1° | 23.3° |
| HC7A | C7 | C4 | HC4 | 159.6° | 43.0° |
| HC7B | C7 | C8 | HC8A | 119.8° | 24.9° |
| HC7B | C7 | C8 | HC8B | 1.3° | 146.5° |
| HC7B | C7 | C4 | HC4 | 37.8° | 166.3° |
| HC8A | C8 | C9 | HC9 | 156.0° | 125.7° |
| HC8B | C8 | C9 | HC9 | 34.9° | 4.2° |
| HC9 | C9 | C22 | HC22 | 99.6° | 179.3° |
| HC1A | C1 | C6 | HC6A | 49.0° | 178.9° |
| HC1A | C1 | C6 | HC6B | 69.8° | 57.9° |
| HC1A | C1 | C2 | HC2B | 73.2° | 48.3° |
| HC1A | C1 | C2 | HC2A | 46.3° | 167.6° |
| HC1B | C1 | C6 | HC6A | 167.8° | 60.2° |
| HC1B | C1 | C6 | HC6B | 49.0° | 60.8° |
| HC1B | C1 | C2 | HC2B | 45.6° | 70.4° |
| HC1B | C1 | C2 | HC2A | 165.1° | 48.9° |
| HC10 | C10 | C11 | HC11 | 156.6° | 180.0° |
| H13B | C13 | C14 | HC14 | 51.3° | 57.3° |
| H13A | C13 | C14 | HC14 | 67.9° | 177.9° |
| HC14 | C14 | C15 | H15A | 59.2° | 66.2° |
| HC14 | C14 | C15 | H15B | 60.6° | 174.0° |
| HC14 | C14 | O20 | HO20 | 60.3° | 59.9° |
| H15A | C15 | C16 | HC16 | 176.0° | 62.5° |
| H15B | C15 | C16 | HC16 | 64.2° | 57.3° |
| HC16 | C16 | O19 | HO19 | 63.2° | 59.5° |
| H21B | C21 | H21A | H21C | 120.0° | 120.0° |
| HC22 | C22 | C23 | H23C | 59.9° | 60.0° |
| HC22 | C22 | C23 | H23B | 179.9° | 59.9° |
| HC22 | C22 | C23 | H23A | 60.1° | 180.0° |
| HC22 | C22 | C24 | H24B | 74.8° | 65.1° |
| HC22 | C22 | C24 | H24A | 162.9° | 175.0° |
| H23C | C23 | H23B | H23A | 120.0° | 120.0° |
| H24B | C24 | C25 | HC25 | 164.5° | 175.1° |
| H24A | C24 | C25 | HC25 | 42.1° | 65.0° |
| HC25 | C25 | C26 | HC26 | 178.2° | NaN° |
| H32B | C32 | H32C | H32A | 119.9° | 120.0° |
| H33C | C33 | H33B | H33A | 120.0° | 120.0° |
| H34B | C34 | H34A | H34C | 120.0° | 120.0° |
| H35A | C35 | H35C | H35B | 120.0° | 119.9° |
