A1IBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.54Å | 1.53Å | |
| C2 | C3 | sing | 1.52Å | 1.50Å | |
| C3 | C4 | sing | 1.50Å | 1.51Å | |
| C3 | C11 | doub | 1.33Å | 1.34Å | |
| C4 | C5 | sing | 1.55Å | 1.55Å | |
| C4 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C9 | sing | 1.52Å | 1.55Å | |
| C5 | C10 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.55Å | 1.55Å | |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C9 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C28 | sing | 1.46Å | 1.39Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C21 | sing | 1.53Å | 1.50Å | |
| C13 | C38 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | O20 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C38 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | O27 | sing | 1.43Å | 1.44Å | |
| C28 | C29 | doub | 1.35Å | 1.36Å | |
| C29 | C30 | sing | 1.52Å | 1.51Å | |
| C29 | C34 | sing | 1.48Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | O37 | sing | 1.43Å | 1.43Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.52Å | 1.51Å | |
| C33 | O36 | sing | 1.43Å | 1.42Å | |
| C34 | C35 | doub | 1.33Å | 1.32Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26C | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C18 | H18C | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19C | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C25 | H25C | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.08Å | 1.08Å | |
| C35 | H35B | sing | 1.08Å | 1.08Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å | |
| O37 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 111.3° | 111.8° |
| C1 | C2 | C3 | 110.9° | 110.8° |
| C2 | C1 | H1B | 109.0° | 109.0° |
| C2 | C1 | H1A | 109.0° | 109.0° |
| C1 | C2 | H2A | 109.1° | 109.2° |
| C1 | C2 | H2B | 109.1° | 109.2° |
| C1 | C6 | C5 | 112.7° | 107.6° |
| C1 | C6 | H6B | 108.7° | 109.8° |
| C1 | C6 | H6A | 108.7° | 109.9° |
| C6 | C1 | H1B | 109.0° | 109.0° |
| C6 | C1 | H1A | 109.0° | 109.0° |
| C2 | C3 | C4 | 111.4° | 115.2° |
| C2 | C3 | C11 | 125.4° | 122.4° |
| C3 | C2 | H2A | 109.1° | 109.2° |
| C3 | C2 | H2B | 109.1° | 109.2° |
| C4 | C3 | C11 | 123.2° | 122.4° |
| C3 | C4 | C5 | 112.9° | 105.6° |
| C3 | C4 | C7 | 121.7° | 116.7° |
| C3 | C4 | H4 | 106.0° | 111.1° |
| C3 | C11 | C28 | 125.4° | 120.0° |
| C3 | C11 | H11 | 117.3° | 120.0° |
| C5 | C4 | C7 | 103.7° | 101.3° |
| C4 | C5 | C6 | 106.4° | 107.6° |
| C4 | C5 | C9 | 98.3° | 103.2° |
| C4 | C5 | C10 | 109.2° | 109.2° |
| C5 | C4 | H4 | 105.6° | 110.9° |
| C4 | C7 | C8 | 104.2° | 102.8° |
| C7 | C4 | H4 | 105.7° | 110.7° |
| C4 | C7 | H7A | 110.8° | 110.8° |
| C4 | C7 | H7B | 110.8° | 110.8° |
| C6 | C5 | C9 | 117.2° | 118.4° |
| C6 | C5 | C10 | 110.4° | 109.3° |
| C5 | C6 | H6B | 108.6° | 109.9° |
| C5 | C6 | H6A | 108.7° | 109.9° |
| C9 | C5 | C10 | 114.1° | 108.8° |
| C5 | C9 | C8 | 103.8° | 105.1° |
| C5 | C9 | C12 | 120.8° | 110.3° |
| C5 | C9 | H9 | 106.2° | 110.3° |
| C5 | C10 | H10C | 109.5° | 109.5° |
| C5 | C10 | H10A | 109.5° | 109.4° |
| C5 | C10 | H10B | 109.5° | 109.5° |
| C7 | C8 | C9 | 105.5° | 106.3° |
| C8 | C7 | H7A | 110.7° | 110.7° |
| C8 | C7 | H7B | 110.8° | 110.7° |
| C7 | C8 | H8A | 110.5° | 110.1° |
| C7 | C8 | H8B | 110.5° | 110.1° |
| C8 | C9 | C12 | 112.5° | 110.3° |
| C9 | C8 | H8A | 110.4° | 110.1° |
| C9 | C8 | H8B | 110.4° | 110.1° |
| C8 | C9 | H9 | 106.3° | 110.3° |
| C9 | C12 | C13 | 112.7° | 109.5° |
| C9 | C12 | C14 | 113.1° | 109.5° |
| C9 | C12 | H12 | 106.5° | 109.5° |
| C12 | C9 | H9 | 106.3° | 110.4° |
| C11 | C28 | C29 | 128.2° | 120.0° |
| C11 | C28 | H28 | 115.9° | 120.1° |
| C28 | C11 | H11 | 117.3° | 120.0° |
| C13 | C12 | C14 | 110.8° | 109.4° |
| C12 | C13 | C21 | 125.0° | 117.5° |
| C12 | C13 | C38 | 124.9° | 117.5° |
| C12 | C13 | H13 | 112.3° | 115.6° |
| C13 | C12 | H12 | 106.8° | 109.5° |
| C12 | C14 | C15 | 116.9° | 109.5° |
| C14 | C12 | H12 | 106.6° | 109.5° |
| C12 | C14 | H14A | 107.6° | 109.5° |
| C12 | C14 | H14B | 107.6° | 109.4° |
| C21 | C13 | C38 | 60.0° | 60.0° |
| C13 | C21 | C22 | 120.1° | 117.5° |
| C13 | C21 | C38 | 60.0° | 60.0° |
| C21 | C13 | H13 | 112.6° | 117.5° |
| C13 | C21 | H21 | 114.8° | 117.5° |
| C13 | C38 | C21 | 60.0° | 60.0° |
| C38 | C13 | H13 | 112.6° | 117.5° |
| C13 | C38 | H38A | 120.0° | 117.5° |
| C13 | C38 | H38B | 120.0° | 117.5° |
| C14 | C15 | C16 | 111.6° | 109.5° |
| C14 | C15 | H15B | 108.9° | 109.4° |
| C14 | C15 | H15A | 108.9° | 109.5° |
| C15 | C14 | H14A | 107.6° | 109.5° |
| C15 | C14 | H14B | 107.6° | 109.5° |
| C15 | C16 | C17 | 116.8° | 109.5° |
| C16 | C15 | H15B | 108.9° | 109.4° |
| C16 | C15 | H15A | 108.9° | 109.5° |
| C15 | C16 | H16A | 107.6° | 109.4° |
| C15 | C16 | H16B | 107.6° | 109.5° |
| C16 | C17 | C18 | 110.0° | 109.4° |
| C16 | C17 | C19 | 111.5° | 109.5° |
| C16 | C17 | O20 | 108.9° | 109.5° |
| C17 | C16 | H16A | 107.6° | 109.5° |
| C17 | C16 | H16B | 107.6° | 109.5° |
| C18 | C17 | C19 | 110.8° | 109.4° |
| C18 | C17 | O20 | 108.0° | 109.5° |
| C17 | C18 | H18C | 109.5° | 109.5° |
| C17 | C18 | H18A | 109.5° | 109.4° |
| C17 | C18 | H18B | 109.5° | 109.5° |
| C19 | C17 | O20 | 107.5° | 109.5° |
| C17 | C19 | H19C | 109.5° | 109.5° |
| C17 | C19 | H19A | 109.5° | 109.4° |
| C17 | C19 | H19B | 109.5° | 109.5° |
| C17 | O20 | H20 | 109.5° | 114.0° |
| C22 | C21 | C38 | 122.4° | 117.5° |
| C21 | C22 | C23 | 123.2° | 109.5° |
| C22 | C21 | H21 | 114.2° | 115.5° |
| C21 | C22 | H22A | 105.9° | 109.5° |
| C21 | C22 | H22B | 105.9° | 109.5° |
| C38 | C21 | H21 | 114.8° | 117.6° |
| C21 | C38 | H38A | 120.0° | 117.5° |
| C21 | C38 | H38B | 120.0° | 117.5° |
| C22 | C23 | C24 | 116.2° | 109.5° |
| C23 | C22 | H22A | 105.9° | 109.5° |
| C23 | C22 | H22B | 105.9° | 109.5° |
| C22 | C23 | H23A | 107.8° | 109.5° |
| C22 | C23 | H23B | 107.8° | 109.5° |
| C23 | C24 | C25 | 111.4° | 109.5° |
| C23 | C24 | C26 | 111.9° | 109.4° |
| C23 | C24 | O27 | 107.5° | 109.5° |
| C24 | C23 | H23A | 107.8° | 109.5° |
| C24 | C23 | H23B | 107.8° | 109.5° |
| C25 | C24 | C26 | 111.5° | 109.5° |
| C25 | C24 | O27 | 107.5° | 109.5° |
| C24 | C25 | H25B | 109.5° | 109.5° |
| C24 | C25 | H25C | 109.5° | 109.4° |
| C24 | C25 | H25A | 109.5° | 109.5° |
| C26 | C24 | O27 | 106.7° | 109.5° |
| C24 | C26 | H26B | 109.5° | 109.5° |
| C24 | C26 | H26A | 109.4° | 109.5° |
| C24 | C26 | H26C | 109.5° | 109.5° |
| C24 | O27 | H27 | 109.5° | 114.0° |
| C28 | C29 | C30 | 119.1° | 121.6° |
| C28 | C29 | C34 | 125.0° | 121.6° |
| C29 | C28 | H28 | 115.9° | 120.0° |
| C30 | C29 | C34 | 115.7° | 116.8° |
| C29 | C30 | C31 | 118.8° | 108.3° |
| C29 | C30 | H30A | 107.1° | 109.7° |
| C29 | C30 | H30B | 107.1° | 109.7° |
| C29 | C34 | C33 | 117.4° | 116.5° |
| C29 | C34 | C35 | 123.0° | 121.6° |
| C30 | C31 | C32 | 109.9° | 109.8° |
| C30 | C31 | O37 | 110.3° | 109.4° |
| C31 | C30 | H30A | 107.1° | 109.7° |
| C31 | C30 | H30B | 107.1° | 109.7° |
| C30 | C31 | H31 | 108.7° | 109.4° |
| C32 | C31 | O37 | 109.1° | 109.4° |
| C31 | C32 | C33 | 110.2° | 109.8° |
| C32 | C31 | H31 | 108.8° | 109.4° |
| C31 | C32 | H32B | 109.3° | 109.4° |
| C31 | C32 | H32A | 109.3° | 109.5° |
| O37 | C31 | H31 | 109.9° | 109.4° |
| C31 | O37 | H37 | 109.5° | 114.0° |
| C32 | C33 | C34 | 110.6° | 108.3° |
| C32 | C33 | O36 | 109.9° | 109.7° |
| C33 | C32 | H32B | 109.3° | 109.4° |
| C33 | C32 | H32A | 109.3° | 109.4° |
| C32 | C33 | H33 | 109.0° | 109.7° |
| C34 | C33 | O36 | 108.1° | 109.9° |
| C33 | C34 | C35 | 119.5° | 121.9° |
| C34 | C33 | H33 | 109.1° | 109.5° |
| O36 | C33 | H33 | 110.3° | 109.7° |
| C33 | O36 | H36 | 109.5° | 114.0° |
| C34 | C35 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35B | 120.0° | 120.0° |
| H6B | C6 | H6A | 109.5° | 109.8° |
| H7A | C7 | H7B | 109.5° | 110.8° |
| H8A | C8 | H8B | 109.5° | 110.1° |
| H10C | C10 | H10A | 109.4° | 109.5° |
| H10C | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.4° | 109.6° |
| H15B | C15 | H15A | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H26B | C26 | H26A | 109.5° | 109.5° |
| H26B | C26 | H26C | 109.5° | 109.5° |
| H26A | C26 | H26C | 109.5° | 109.5° |
| H1B | C1 | H1A | 109.5° | 109.0° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H18C | C18 | H18A | 109.5° | 109.5° |
| H18C | C18 | H18B | 109.5° | 109.4° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H19C | C19 | H19A | 109.5° | 109.5° |
| H19C | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.1° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| H25B | C25 | H25C | 109.5° | 109.5° |
| H25B | C25 | H25A | 109.4° | 109.5° |
| H25C | C25 | H25A | 109.5° | 109.4° |
| H30A | C30 | H30B | 109.5° | 109.7° |
| H32B | C32 | H32A | 109.4° | 109.4° |
| H35A | C35 | H35B | 120.0° | 120.0° |
| H38A | C38 | H38B | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1B | 120.3° | 120.6° |
| C2 | C1 | C6 | H1A | 120.3° | 120.6° |
| C1 | C2 | C3 | H2A | 120.2° | 120.4° |
| C1 | C2 | C3 | H2B | 120.2° | 120.3° |
| C1 | C2 | C3 | C4 | 54.6° | 50.2° |
| C1 | C2 | C3 | C11 | 126.5° | 129.7° |
| C2 | C1 | C6 | C5 | 57.2° | 59.0° |
| C2 | C1 | C6 | H6B | 63.3° | 178.6° |
| C2 | C1 | C6 | H6A | 177.6° | 60.5° |
| C2 | C1 | H1B | H1A | 119.2° | 118.9° |
| C1 | C2 | H2A | H2B | 119.4° | 119.3° |
| C6 | C1 | C2 | C3 | 54.2° | 48.5° |
| C1 | C6 | C5 | C4 | 56.6° | 68.1° |
| C1 | C6 | C5 | H6B | 120.5° | 119.5° |
| C1 | C6 | C5 | H6A | 120.5° | 119.6° |
| C1 | C6 | C5 | C9 | 165.2° | 175.6° |
| C1 | C6 | C5 | C10 | 61.8° | 50.4° |
| C1 | C6 | H6B | H6A | 118.5° | 120.9° |
| C6 | C1 | H1B | H1A | 119.2° | 118.8° |
| C6 | C1 | C2 | H2A | 174.4° | 168.9° |
| C6 | C1 | C2 | H2B | 66.0° | 71.8° |
| C2 | C3 | C4 | C11 | 178.9° | 179.9° |
| C2 | C3 | C4 | C5 | 57.9° | 58.1° |
| C2 | C3 | C4 | C7 | 177.7° | 169.6° |
| C2 | C3 | C11 | C28 | 3.4° | 0.0° |
| C2 | C3 | C4 | H4 | 57.2° | 62.2° |
| C3 | C2 | C1 | H1B | 174.4° | 72.0° |
| C3 | C2 | C1 | H1A | 66.1° | 169.1° |
| C2 | C3 | C11 | H11 | 176.6° | 180.0° |
| C3 | C2 | H2A | H2B | 119.4° | 119.4° |
| C3 | C4 | C5 | C7 | 133.7° | 122.0° |
| C3 | C4 | C5 | H4 | 115.4° | 120.4° |
| C3 | C4 | C7 | H4 | 120.7° | 128.4° |
| C3 | C4 | C5 | C6 | 57.0° | 66.5° |
| C3 | C4 | C5 | C9 | 178.6° | 167.6° |
| C3 | C4 | C5 | C10 | 62.1° | 52.0° |
| C3 | C4 | C7 | C8 | 160.7° | 156.2° |
| C4 | C3 | C11 | C28 | 175.4° | 179.9° |
| C3 | C4 | C7 | H7A | 41.5° | 37.9° |
| C3 | C4 | C7 | H7B | 80.1° | 85.4° |
| C4 | C3 | C11 | H11 | 4.6° | 0.1° |
| C4 | C3 | C2 | H2A | 174.8° | 170.5° |
| C4 | C3 | C2 | H2B | 65.7° | 70.2° |
| C11 | C3 | C4 | C5 | 123.1° | 121.8° |
| C11 | C3 | C4 | C7 | 1.2° | 10.3° |
| C3 | C11 | C28 | H11 | 180.0° | 180.0° |
| C3 | C11 | C28 | C29 | 170.1° | 180.0° |
| C11 | C3 | C4 | H4 | 121.7° | 117.9° |
| C3 | C11 | C28 | H28 | 10.0° | 0.0° |
| C11 | C3 | C2 | H2A | 6.3° | 9.4° |
| C11 | C3 | C2 | H2B | 113.2° | 109.9° |
| C5 | C4 | C7 | H4 | 110.8° | 117.7° |
| C4 | C5 | C6 | C9 | 108.7° | 116.3° |
| C4 | C5 | C6 | C10 | 118.3° | 118.4° |
| C4 | C5 | C9 | C10 | 115.4° | 115.9° |
| C5 | C4 | C7 | C8 | 32.2° | 42.3° |
| C4 | C5 | C9 | C8 | 45.1° | 30.2° |
| C4 | C5 | C9 | C12 | 172.4° | 149.1° |
| C4 | C5 | C6 | H6B | 64.0° | 172.5° |
| C4 | C5 | C6 | H6A | 177.0° | 51.5° |
| C5 | C4 | C7 | H7A | 87.0° | 76.0° |
| C5 | C4 | C7 | H7B | 151.4° | 160.6° |
| C4 | C5 | C10 | H10C | 180.0° | 45.5° |
| C4 | C5 | C10 | H10A | 60.0° | 165.5° |
| C4 | C5 | C10 | H10B | 60.0° | 74.4° |
| C4 | C5 | C9 | H9 | 66.8° | 88.7° |
| C7 | C4 | C5 | C6 | 169.3° | 171.4° |
| C7 | C4 | C5 | C9 | 47.6° | 45.5° |
| C7 | C4 | C5 | C10 | 71.6° | 70.1° |
| C4 | C7 | C8 | H7A | 119.2° | 118.3° |
| C4 | C7 | C8 | H7B | 119.2° | 118.4° |
| C4 | C7 | C8 | C9 | 3.5° | 24.1° |
| C4 | C7 | H7A | H7B | 122.4° | 123.4° |
| C4 | C7 | C8 | H8A | 122.8° | 143.4° |
| C4 | C7 | C8 | H8B | 115.9° | 95.1° |
| C6 | C5 | C9 | C10 | 131.3° | 125.5° |
| C6 | C5 | C9 | C8 | 158.4° | 148.9° |
| C6 | C5 | C9 | C12 | 74.3° | 92.2° |
| C6 | C5 | C4 | H4 | 58.4° | 53.9° |
| C5 | C6 | H6B | H6A | 118.5° | 121.0° |
| C6 | C5 | C10 | H10C | 63.4° | 163.0° |
| C6 | C5 | C10 | H10A | 56.6° | 77.0° |
| C6 | C5 | C10 | H10B | 176.6° | 43.0° |
| C5 | C6 | C1 | H1B | 177.4° | 61.5° |
| C5 | C6 | C1 | H1A | 63.1° | 179.6° |
| C6 | C5 | C9 | H9 | 46.5° | 30.0° |
| C5 | C9 | C8 | C7 | 26.5° | 4.0° |
| C5 | C9 | C8 | C12 | 132.3° | 118.9° |
| C5 | C9 | C8 | H9 | 111.8° | 118.9° |
| C5 | C9 | C12 | H9 | 120.8° | 122.2° |
| C5 | C9 | C12 | C13 | 161.8° | 155.3° |
| C5 | C9 | C12 | C14 | 71.6° | 84.8° |
| C9 | C5 | C4 | H4 | 63.3° | 72.0° |
| C9 | C5 | C6 | H6B | 44.7° | 56.1° |
| C9 | C5 | C6 | H6A | 74.3° | 64.8° |
| C5 | C9 | C8 | H8A | 92.9° | 115.3° |
| C5 | C9 | C8 | H8B | 145.9° | 123.2° |
| C9 | C5 | C10 | H10C | 71.2° | 66.4° |
| C9 | C5 | C10 | H10A | 168.9° | 53.6° |
| C9 | C5 | C10 | H10B | 48.9° | 173.6° |
| C5 | C9 | C12 | H12 | 45.1° | 35.3° |
| C10 | C5 | C9 | C8 | 70.3° | 85.6° |
| C10 | C5 | C9 | C12 | 57.0° | 33.2° |
| C10 | C5 | C4 | H4 | 177.5° | 172.4° |
| C10 | C5 | C6 | H6B | 177.7° | 69.1° |
| C10 | C5 | C6 | H6A | 58.7° | 169.9° |
| C5 | C10 | H10C | H10A | 120.0° | 119.9° |
| C5 | C10 | H10C | H10B | 120.0° | 120.0° |
| C5 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C5 | C9 | H9 | 177.8° | 155.5° |
| C7 | C8 | C9 | H8A | 119.4° | 119.3° |
| C7 | C8 | C9 | H8B | 119.4° | 119.2° |
| C7 | C8 | C9 | C12 | 158.8° | 122.9° |
| C8 | C7 | C4 | H4 | 78.7° | 75.4° |
| C8 | C7 | H7A | H7B | 122.4° | 123.3° |
| C7 | C8 | H8A | H8B | 121.9° | 121.5° |
| C7 | C8 | C9 | H9 | 85.3° | 114.9° |
| C8 | C9 | C12 | H9 | 115.9° | 122.2° |
| C8 | C9 | C12 | C13 | 74.9° | 89.1° |
| C8 | C9 | C12 | C14 | 51.7° | 30.9° |
| C9 | C8 | C7 | H7A | 115.7° | 94.2° |
| C9 | C8 | C7 | H7B | 122.6° | 142.5° |
| C9 | C8 | H8A | H8B | 121.8° | 121.6° |
| C8 | C9 | C12 | H12 | 168.4° | 150.9° |
| C9 | C12 | C13 | C14 | 127.8° | 120.0° |
| C9 | C12 | C13 | H12 | 116.5° | 120.0° |
| C9 | C12 | C14 | H12 | 116.6° | 120.1° |
| C9 | C12 | C13 | C21 | 114.0° | 65.3° |
| C9 | C12 | C13 | C38 | 170.9° | 133.8° |
| C9 | C12 | C14 | C15 | 136.4° | 172.9° |
| C12 | C9 | C8 | H8A | 39.4° | 3.6° |
| C12 | C9 | C8 | H8B | 81.8° | 117.9° |
| C9 | C12 | C13 | H13 | 28.5° | 80.5° |
| C9 | C12 | C14 | H14A | 15.3° | 67.1° |
| C9 | C12 | C14 | H14B | 102.5° | 52.9° |
| C11 | C28 | C29 | H28 | 180.0° | 180.0° |
| C11 | C28 | C29 | C30 | 178.8° | 180.0° |
| C11 | C28 | C29 | C34 | 6.1° | 0.3° |
| C13 | C12 | C14 | H12 | 115.8° | 120.0° |
| C12 | C13 | C21 | C38 | 113.7° | 107.5° |
| C12 | C13 | C21 | H13 | 142.4° | 145.1° |
| C12 | C13 | C38 | H13 | 142.3° | 145.0° |
| C13 | C12 | C14 | C15 | 96.0° | 67.2° |
| C12 | C13 | C21 | C22 | 134.0° | 145.0° |
| C12 | C13 | C21 | H21 | 8.2° | 0.1° |
| C13 | C12 | C14 | H14A | 142.9° | 52.9° |
| C13 | C12 | C14 | H14B | 25.1° | 172.9° |
| C12 | C13 | C38 | H38A | 4.3° | 0.0° |
| C12 | C13 | C38 | H38B | 136.7° | 145.0° |
| C13 | C12 | C9 | H9 | 41.0° | 33.1° |
| C14 | C12 | C13 | C21 | 118.2° | 174.8° |
| C14 | C12 | C13 | C38 | 43.1° | 106.2° |
| C12 | C14 | C15 | H14A | 121.1° | 120.0° |
| C12 | C14 | C15 | H14B | 121.1° | 120.0° |
| C12 | C14 | C15 | C16 | 178.2° | 180.0° |
| C14 | C12 | C13 | H13 | 99.3° | 39.5° |
| C12 | C14 | C15 | H15B | 61.5° | 60.1° |
| C12 | C14 | C15 | H15A | 57.8° | 60.0° |
| C12 | C14 | H14A | H14B | 116.6° | 120.0° |
| C14 | C12 | C9 | H9 | 167.6° | 153.0° |
| C21 | C13 | C38 | H13 | 103.9° | 107.5° |
| C13 | C21 | C22 | C38 | 71.5° | 68.6° |
| C13 | C21 | C22 | H21 | 142.4° | 145.6° |
| C13 | C21 | C38 | H21 | 105.5° | 107.4° |
| C13 | C21 | C22 | C23 | 49.5° | 175.7° |
| C13 | C21 | C22 | H22A | 72.4° | 64.3° |
| C13 | C21 | C22 | H22B | 171.4° | 55.8° |
| C21 | C13 | C12 | H12 | 2.5° | 54.8° |
| C21 | C13 | C38 | H38A | 109.5° | 107.5° |
| C21 | C13 | C38 | H38B | 109.5° | 107.5° |
| C38 | C13 | C12 | H12 | 72.6° | 13.8° |
| C13 | C38 | H38A | H38B | 144.7° | 145.7° |
| C14 | C15 | C16 | H15B | 120.3° | 119.9° |
| C14 | C15 | C16 | H15A | 120.3° | 120.1° |
| C14 | C15 | C16 | C17 | 138.5° | 180.0° |
| C14 | C15 | H15B | H15A | 119.0° | 120.1° |
| C15 | C14 | C12 | H12 | 19.8° | 52.8° |
| C15 | C14 | H14A | H14B | 116.6° | 120.0° |
| C14 | C15 | C16 | H16A | 100.4° | 60.0° |
| C14 | C15 | C16 | H16B | 17.4° | 60.0° |
| C15 | C16 | C17 | H16A | 121.1° | 120.0° |
| C15 | C16 | C17 | H16B | 121.1° | 120.0° |
| C15 | C16 | C17 | C18 | 179.1° | 175.0° |
| C15 | C16 | C17 | C19 | 57.5° | 55.1° |
| C15 | C16 | C17 | O20 | 61.0° | 65.0° |
| C16 | C15 | H15B | H15A | 119.0° | 120.0° |
| C16 | C15 | C14 | H14A | 57.1° | 60.0° |
| C16 | C15 | C14 | H14B | 60.8° | 60.0° |
| C15 | C16 | H16A | H16B | 116.6° | 120.0° |
| C16 | C17 | C18 | C19 | 123.7° | 120.0° |
| C16 | C17 | C18 | O20 | 118.8° | 120.0° |
| C16 | C17 | C19 | O20 | 119.3° | 120.1° |
| C17 | C16 | C15 | H15B | 18.2° | 60.1° |
| C17 | C16 | C15 | H15A | 101.2° | 59.9° |
| C17 | C16 | H16A | H16B | 116.7° | 120.0° |
| C16 | C17 | C18 | H18C | 180.0° | 180.0° |
| C16 | C17 | C18 | H18A | 60.0° | 60.0° |
| C16 | C17 | C18 | H18B | 60.0° | 60.0° |
| C16 | C17 | C19 | H19C | 180.0° | 60.0° |
| C16 | C17 | C19 | H19A | 60.0° | 60.0° |
| C16 | C17 | C19 | H19B | 60.0° | 179.9° |
| C16 | C17 | O20 | H20 | 180.0° | 180.0° |
| C18 | C17 | C19 | O20 | 117.8° | 120.0° |
| C18 | C17 | C16 | H16A | 59.8° | 65.0° |
| C18 | C17 | C16 | H16B | 58.1° | 55.0° |
| C17 | C18 | H18C | H18A | 120.0° | 120.0° |
| C17 | C18 | H18C | H18B | 120.0° | 120.0° |
| C17 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C17 | C19 | H19C | 57.1° | 60.0° |
| C18 | C17 | C19 | H19A | 177.1° | 180.0° |
| C18 | C17 | C19 | H19B | 62.9° | 60.0° |
| C18 | C17 | O20 | H20 | 60.5° | 60.0° |
| C19 | C17 | C16 | H16A | 63.6° | 175.0° |
| C19 | C17 | C16 | H16B | 178.6° | 65.0° |
| C19 | C17 | C18 | H18C | 56.3° | 60.0° |
| C19 | C17 | C18 | H18A | 63.8° | 180.0° |
| C19 | C17 | C18 | H18B | 176.2° | 60.0° |
| C17 | C19 | H19C | H19A | 120.0° | 120.0° |
| C17 | C19 | H19C | H19B | 120.0° | 120.0° |
| C17 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | C17 | O20 | H20 | 59.1° | 60.0° |
| O20 | C17 | C16 | H16A | 178.0° | 55.0° |
| O20 | C17 | C16 | H16B | 60.1° | 175.0° |
| O20 | C17 | C18 | H18C | 61.2° | 60.0° |
| O20 | C17 | C18 | H18A | 178.8° | 60.0° |
| O20 | C17 | C18 | H18B | 58.8° | 180.0° |
| O20 | C17 | C19 | H19C | 60.7° | 180.0° |
| O20 | C17 | C19 | H19A | 59.3° | 60.0° |
| O20 | C17 | C19 | H19B | 179.3° | 60.0° |
| C22 | C21 | C38 | H21 | 145.9° | 145.1° |
| C21 | C22 | C23 | H22A | 121.9° | 120.0° |
| C21 | C22 | C23 | H22B | 121.9° | 120.0° |
| C21 | C22 | C23 | C24 | 100.7° | 175.9° |
| C22 | C21 | C13 | H13 | 8.4° | 0.1° |
| C21 | C22 | H22A | H22B | 113.8° | 120.0° |
| C21 | C22 | C23 | H23A | 20.3° | 64.1° |
| C21 | C22 | C23 | H23B | 138.3° | 55.8° |
| C22 | C21 | C38 | H38A | 141.9° | 145.0° |
| C22 | C21 | C38 | H38B | 0.8° | 0.1° |
| C38 | C21 | C22 | C23 | 22.1° | 115.6° |
| C38 | C21 | C22 | H22A | 143.9° | 4.4° |
| C38 | C21 | C22 | H22B | 99.8° | 124.4° |
| C21 | C38 | H38A | H38B | 144.7° | 145.6° |
| C22 | C23 | C24 | H23A | 121.0° | 120.0° |
| C22 | C23 | C24 | H23B | 121.0° | 120.1° |
| C22 | C23 | C24 | C25 | 153.4° | 175.0° |
| C22 | C23 | C24 | C26 | 27.9° | 55.0° |
| C22 | C23 | C24 | O27 | 89.0° | 65.0° |
| C23 | C22 | C21 | H21 | 168.1° | 30.2° |
| C23 | C22 | H22A | H22B | 113.8° | 120.0° |
| C22 | C23 | H23A | H23B | 116.9° | 120.0° |
| C23 | C24 | C25 | C26 | 125.8° | 120.0° |
| C23 | C24 | C25 | O27 | 117.6° | 120.0° |
| C23 | C24 | C26 | O27 | 117.3° | 120.0° |
| C24 | C23 | C22 | H22A | 137.4° | 55.9° |
| C24 | C23 | C22 | H22B | 21.2° | 64.1° |
| C23 | C24 | C26 | H26B | 180.0° | 60.0° |
| C23 | C24 | C26 | H26A | 60.0° | 60.0° |
| C23 | C24 | C26 | H26C | 60.0° | 180.0° |
| C24 | C23 | H23A | H23B | 116.9° | 120.0° |
| C23 | C24 | C25 | H25B | 180.0° | 180.0° |
| C23 | C24 | C25 | H25C | 60.0° | 60.0° |
| C23 | C24 | C25 | H25A | 60.0° | 60.0° |
| C23 | C24 | O27 | H27 | 180.0° | 180.0° |
| C25 | C24 | C26 | O27 | 117.1° | 120.0° |
| C25 | C24 | C26 | H26B | 54.5° | 60.0° |
| C25 | C24 | C26 | H26A | 65.6° | 180.0° |
| C25 | C24 | C26 | H26C | 174.5° | 60.0° |
| C25 | C24 | C23 | H23A | 85.6° | 65.0° |
| C25 | C24 | C23 | H23B | 32.5° | 54.9° |
| C24 | C25 | H25B | H25C | 120.0° | 120.0° |
| C24 | C25 | H25B | H25A | 120.0° | 120.0° |
| C24 | C25 | H25C | H25A | 120.0° | 120.0° |
| C25 | C24 | O27 | H27 | 59.9° | 60.0° |
| C24 | C26 | H26B | H26A | 120.0° | 120.0° |
| C24 | C26 | H26B | H26C | 120.0° | 120.0° |
| C24 | C26 | H26A | H26C | 120.0° | 120.0° |
| C26 | C24 | C23 | H23A | 148.9° | 175.0° |
| C26 | C24 | C23 | H23B | 93.1° | 65.0° |
| C26 | C24 | C25 | H25B | 54.2° | 60.0° |
| C26 | C24 | C25 | H25C | 174.2° | 179.9° |
| C26 | C24 | C25 | H25A | 65.8° | 60.0° |
| C26 | C24 | O27 | H27 | 59.8° | 60.0° |
| O27 | C24 | C26 | H26B | 62.7° | 180.0° |
| O27 | C24 | C26 | H26A | 177.3° | 60.0° |
| O27 | C24 | C26 | H26C | 57.4° | 60.0° |
| O27 | C24 | C23 | H23A | 32.0° | 55.0° |
| O27 | C24 | C23 | H23B | 150.0° | 175.0° |
| O27 | C24 | C25 | H25B | 62.4° | 60.0° |
| O27 | C24 | C25 | H25C | 57.6° | 60.0° |
| O27 | C24 | C25 | H25A | 177.6° | 180.0° |
| C28 | C29 | C30 | C34 | 175.5° | 179.7° |
| C28 | C29 | C30 | C31 | 156.4° | 133.4° |
| C28 | C29 | C34 | C33 | 154.0° | 136.8° |
| C28 | C29 | C34 | C35 | 27.8° | 43.0° |
| C29 | C28 | C11 | H11 | 10.0° | 0.0° |
| C28 | C29 | C30 | H30A | 82.3° | 13.7° |
| C28 | C29 | C30 | H30B | 35.0° | 106.9° |
| C29 | C30 | C31 | H30A | 121.3° | 119.7° |
| C29 | C30 | C31 | H30B | 121.3° | 119.7° |
| C29 | C30 | C31 | C32 | 41.6° | 57.7° |
| C29 | C30 | C31 | O37 | 78.9° | 177.8° |
| C30 | C29 | C34 | C33 | 30.7° | 43.5° |
| C30 | C29 | C34 | C35 | 147.5° | 136.7° |
| C30 | C29 | C28 | H28 | 1.2° | 0.0° |
| C29 | C30 | H30A | H30B | 115.8° | 120.6° |
| C29 | C30 | C31 | H31 | 160.6° | 62.4° |
| C34 | C29 | C30 | C31 | 28.1° | 46.9° |
| C29 | C34 | C33 | C32 | 47.7° | 46.9° |
| C29 | C34 | C33 | C35 | 178.3° | 179.9° |
| C29 | C34 | C33 | O36 | 168.0° | 72.9° |
| C34 | C29 | C28 | H28 | 173.9° | 179.7° |
| C34 | C29 | C30 | H30A | 93.2° | 166.6° |
| C34 | C29 | C30 | H30B | 149.4° | 72.8° |
| C29 | C34 | C33 | H33 | 72.2° | 166.5° |
| C29 | C34 | C35 | H35A | 178.2° | 0.1° |
| C29 | C34 | C35 | H35B | 1.8° | 180.0° |
| C30 | C31 | C32 | O37 | 121.1° | 120.1° |
| C30 | C31 | C32 | H31 | 119.0° | 120.1° |
| C30 | C31 | O37 | H31 | 119.9° | 119.9° |
| C30 | C31 | C32 | C33 | 57.4° | 66.2° |
| C31 | C30 | H30A | H30B | 115.8° | 120.5° |
| C30 | C31 | C32 | H32B | 62.7° | 173.7° |
| C30 | C31 | C32 | H32A | 177.6° | 53.8° |
| C30 | C31 | O37 | H37 | 180.0° | 60.0° |
| C32 | C31 | O37 | H31 | 119.2° | 119.8° |
| C31 | C32 | C33 | H32B | 120.1° | 120.1° |
| C31 | C32 | C33 | H32A | 120.1° | 120.1° |
| C31 | C32 | C33 | C34 | 61.0° | 57.9° |
| C31 | C32 | C33 | O36 | 179.7° | 62.0° |
| C32 | C31 | C30 | H30A | 79.8° | 177.4° |
| C32 | C31 | C30 | H30B | 162.9° | 62.0° |
| C31 | C32 | H32B | H32A | 119.7° | 119.9° |
| C31 | C32 | C33 | H33 | 58.9° | 177.4° |
| C32 | C31 | O37 | H37 | 59.1° | 179.7° |
| O37 | C31 | C32 | C33 | 63.7° | 173.7° |
| O37 | C31 | C30 | H30A | 159.8° | 62.5° |
| O37 | C31 | C30 | H30B | 42.5° | 58.1° |
| O37 | C31 | C32 | H32B | 176.2° | 53.6° |
| O37 | C31 | C32 | H32A | 56.4° | 66.2° |
| C32 | C33 | C34 | O36 | 120.3° | 119.8° |
| C32 | C33 | C34 | H33 | 119.8° | 119.6° |
| C32 | C33 | O36 | H33 | 120.1° | 120.6° |
| C32 | C33 | C34 | C35 | 130.6° | 133.2° |
| C33 | C32 | C31 | H31 | 176.4° | 53.9° |
| C33 | C32 | H32B | H32A | 119.6° | 119.8° |
| C32 | C33 | O36 | H36 | 180.0° | 180.0° |
| C34 | C33 | O36 | H33 | 119.1° | 120.4° |
| C34 | C33 | C32 | H32B | 59.1° | 178.0° |
| C34 | C33 | C32 | H32A | 178.8° | 62.2° |
| C33 | C34 | C35 | H35A | 0.0° | 179.9° |
| C33 | C34 | C35 | H35B | 180.0° | 0.2° |
| C34 | C33 | O36 | H36 | 59.3° | 61.0° |
| O36 | C33 | C34 | C35 | 10.3° | 107.0° |
| O36 | C33 | C32 | H32B | 60.1° | 58.0° |
| O36 | C33 | C32 | H32A | 59.6° | 177.8° |
| C35 | C34 | C33 | H33 | 109.6° | 13.6° |
| C34 | C35 | H35A | H35B | 180.0° | 179.9° |
| H4 | C4 | C7 | H7A | 162.2° | 166.3° |
| H4 | C4 | C7 | H7B | 40.5° | 42.9° |
| H6B | C6 | C1 | H1B | 56.9° | 58.0° |
| H6B | C6 | C1 | H1A | 176.4° | 60.8° |
| H6A | C6 | C1 | H1B | 62.1° | 178.9° |
| H6A | C6 | C1 | H1A | 57.4° | 60.1° |
| H7A | C7 | C8 | H8A | 3.7° | 25.1° |
| H7A | C7 | C8 | H8B | 124.9° | 146.6° |
| H7B | C7 | C8 | H8A | 118.0° | 98.2° |
| H7B | C7 | C8 | H8B | 3.3° | 23.3° |
| H8A | C8 | C9 | H9 | 155.3° | 125.8° |
| H8B | C8 | C9 | H9 | 34.1° | 4.3° |
| H10C | C10 | H10A | H10B | 120.0° | 120.0° |
| H13 | C13 | C21 | H21 | 150.6° | 145.0° |
| H13 | C13 | C12 | H12 | 145.0° | 159.5° |
| H13 | C13 | C38 | H38A | 146.6° | 145.0° |
| H13 | C13 | C38 | H38B | 5.6° | 0.0° |
| H15B | C15 | C14 | H14A | 177.4° | 59.9° |
| H15B | C15 | C14 | H14B | 59.6° | 180.0° |
| H15B | C15 | C16 | H16A | 139.2° | 180.0° |
| H15B | C15 | C16 | H16B | 102.9° | 59.9° |
| H15A | C15 | C14 | H14A | 63.2° | 180.0° |
| H15A | C15 | C14 | H14B | 178.9° | 60.0° |
| H15A | C15 | C16 | H16A | 19.9° | 60.0° |
| H15A | C15 | C16 | H16B | 137.7° | 180.0° |
| H21 | C21 | C22 | H22A | 70.0° | 150.2° |
| H21 | C21 | C22 | H22B | 46.2° | 89.8° |
| H21 | C21 | C38 | H38A | 4.0° | 0.1° |
| H21 | C21 | C38 | H38B | 145.1° | 145.0° |
| H22A | C22 | C23 | H23A | 101.6° | 175.9° |
| H22A | C22 | C23 | H23B | 16.4° | 64.2° |
| H22B | C22 | C23 | H23A | 142.2° | 55.8° |
| H22B | C22 | C23 | H23B | 99.8° | 175.8° |
| H26B | C26 | H26A | H26C | 120.0° | 120.0° |
| H28 | C28 | C11 | H11 | 170.0° | 180.0° |
| H1B | C1 | C2 | H2A | 65.3° | 48.4° |
| H1B | C1 | C2 | H2B | 54.2° | 167.7° |
| H1A | C1 | C2 | H2A | 54.1° | 70.5° |
| H1A | C1 | C2 | H2B | 173.7° | 48.8° |
| H12 | C12 | C14 | H14A | 101.3° | 172.9° |
| H12 | C12 | C14 | H14B | 140.8° | 67.2° |
| H12 | C12 | C9 | H9 | 75.7° | 86.9° |
| H18C | C18 | H18A | H18B | 120.0° | 120.0° |
| H19C | C19 | H19A | H19B | 120.0° | 120.0° |
| H25B | C25 | H25C | H25A | 120.0° | 120.0° |
| H30A | C30 | C31 | H31 | 39.3° | 57.3° |
| H30B | C30 | C31 | H31 | 78.1° | 177.9° |
| H31 | C31 | C32 | H32B | 56.2° | 66.2° |
| H31 | C31 | C32 | H32A | 63.5° | 173.9° |
| H31 | C31 | O37 | H37 | 60.1° | 59.9° |
| H32B | C32 | C33 | H33 | 179.0° | 62.5° |
| H32A | C32 | C33 | H33 | 61.3° | 57.3° |
| H33 | C33 | O36 | H36 | 59.9° | 59.4° |
