D3V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| O | C4 | sing | 1.43Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | doub | 1.33Å | 1.32Å | |
| C15 | C14 | sing | 1.54Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C12 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C12 | C3 | sing | 1.52Å | 1.56Å | |
| C12 | C | sing | 1.56Å | 1.56Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C20 | sing | 1.48Å | 1.47Å | |
| C25 | C24 | sing | 1.52Å | 1.51Å | |
| O2 | C24 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.52Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | doub | 1.35Å | 1.37Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C22 | O1 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.47Å | 1.44Å | |
| C16 | C17 | sing | 1.52Å | 1.50Å | |
| C18 | C17 | doub | 1.33Å | 1.34Å | |
| C17 | C | sing | 1.50Å | 1.51Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.55Å | 1.55Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| O2 | H41 | sing | 0.97Å | 0.95Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | H38 | sing | 0.97Å | 0.95Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.08Å | 1.08Å | |
| C26 | H43 | sing | 1.08Å | 1.08Å | |
| C19 | H35 | sing | 1.08Å | 1.08Å | |
| C18 | H34 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C9 | C10 | 110.9° | 109.5° |
| C11 | C9 | C8 | 110.2° | 109.5° |
| C11 | C9 | H18 | 107.4° | 109.5° |
| C9 | C11 | H23 | 109.5° | 109.5° |
| C9 | C11 | H22 | 109.4° | 109.5° |
| C9 | C11 | H24 | 109.4° | 109.4° |
| C10 | C9 | C8 | 113.3° | 109.5° |
| C10 | C9 | H18 | 107.4° | 109.5° |
| C9 | C10 | H20 | 109.5° | 109.5° |
| C9 | C10 | H21 | 109.5° | 109.5° |
| C9 | C10 | H19 | 109.5° | 109.4° |
| C9 | C8 | C7 | 116.8° | 109.5° |
| C9 | C8 | H16 | 107.6° | 109.5° |
| C9 | C8 | H17 | 107.6° | 109.5° |
| C8 | C9 | H18 | 107.4° | 109.5° |
| C8 | C7 | C6 | 114.0° | 109.5° |
| C8 | C7 | H15 | 108.3° | 109.5° |
| C8 | C7 | H14 | 108.3° | 109.4° |
| C7 | C8 | H16 | 107.6° | 109.5° |
| C7 | C8 | H17 | 107.6° | 109.4° |
| C7 | C6 | C4 | 116.0° | 109.5° |
| C7 | C6 | H12 | 107.8° | 109.5° |
| C7 | C6 | H13 | 107.8° | 109.4° |
| C6 | C7 | H15 | 108.3° | 109.5° |
| C6 | C7 | H14 | 108.3° | 109.4° |
| C6 | C4 | O | 104.7° | 109.5° |
| C6 | C4 | C5 | 107.8° | 109.5° |
| C6 | C4 | C3 | 116.1° | 109.5° |
| C4 | C6 | H12 | 107.8° | 109.5° |
| C4 | C6 | H13 | 107.8° | 109.5° |
| O | C4 | C5 | 107.2° | 109.5° |
| O | C4 | C3 | 108.5° | 109.5° |
| C4 | O | H11 | 109.5° | 114.0° |
| C13 | C12 | C14 | 110.1° | 108.8° |
| C13 | C12 | C3 | 114.6° | 109.3° |
| C13 | C12 | C | 109.7° | 109.2° |
| C12 | C13 | H26 | 109.5° | 109.5° |
| C12 | C13 | H27 | 109.5° | 109.5° |
| C12 | C13 | H25 | 109.5° | 109.5° |
| C26 | C25 | C20 | 122.3° | 121.6° |
| C26 | C25 | C24 | 121.8° | 121.6° |
| C25 | C26 | H42 | 120.0° | 120.0° |
| C25 | C26 | H43 | 120.0° | 120.0° |
| C14 | C15 | C16 | 111.3° | 111.8° |
| C15 | C14 | C12 | 113.2° | 107.5° |
| C15 | C14 | H28 | 108.6° | 109.9° |
| C15 | C14 | H29 | 108.5° | 109.9° |
| C14 | C15 | H30 | 109.0° | 109.1° |
| C14 | C15 | H31 | 109.0° | 109.0° |
| C15 | C16 | C17 | 110.1° | 110.7° |
| C16 | C15 | H30 | 109.0° | 109.0° |
| C16 | C15 | H31 | 109.0° | 109.0° |
| C15 | C16 | H32 | 109.3° | 109.2° |
| C15 | C16 | H33 | 109.3° | 109.2° |
| C14 | C12 | C3 | 115.7° | 118.3° |
| C14 | C12 | C | 107.9° | 107.6° |
| C12 | C14 | H28 | 108.5° | 109.8° |
| C12 | C14 | H29 | 108.5° | 109.8° |
| C5 | C4 | C3 | 112.0° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.4° |
| C4 | C5 | H10 | 109.5° | 109.5° |
| C4 | C3 | C12 | 122.9° | 110.3° |
| C4 | C3 | C2 | 113.7° | 110.3° |
| C4 | C3 | H1 | 104.8° | 110.3° |
| C3 | C12 | C | 98.0° | 103.2° |
| C12 | C3 | C2 | 104.1° | 105.0° |
| C12 | C3 | H1 | 104.8° | 110.4° |
| C12 | C | C17 | 107.2° | 105.5° |
| C12 | C | C1 | 104.1° | 101.3° |
| C12 | C | H | 106.6° | 110.9° |
| C22 | C23 | C24 | 110.1° | 109.8° |
| C23 | C22 | C21 | 110.4° | 109.8° |
| C23 | C22 | O1 | 109.8° | 109.4° |
| C22 | C23 | H39 | 109.3° | 109.4° |
| C22 | C23 | H40 | 109.3° | 109.5° |
| C23 | C22 | H2 | 108.5° | 109.4° |
| C23 | C24 | C25 | 106.1° | 108.4° |
| C23 | C24 | O2 | 109.9° | 109.7° |
| C23 | C24 | H3 | 109.8° | 109.7° |
| C24 | C23 | H39 | 109.3° | 109.4° |
| C24 | C23 | H40 | 109.3° | 109.4° |
| C20 | C25 | C24 | 115.8° | 116.7° |
| C25 | C20 | C21 | 114.9° | 116.8° |
| C25 | C20 | C19 | 123.1° | 121.6° |
| C25 | C24 | O2 | 109.5° | 109.7° |
| C25 | C24 | H3 | 110.0° | 109.7° |
| C24 | O2 | H41 | 109.5° | 114.0° |
| O2 | C24 | H3 | 111.3° | 109.7° |
| C20 | C21 | C22 | 112.7° | 108.3° |
| C21 | C20 | C19 | 121.1° | 121.6° |
| C20 | C21 | H37 | 108.6° | 109.7° |
| C20 | C21 | H36 | 108.7° | 109.7° |
| C21 | C22 | O1 | 110.1° | 109.4° |
| C21 | C22 | H2 | 108.4° | 109.4° |
| C22 | C21 | H37 | 108.7° | 109.7° |
| C22 | C21 | H36 | 108.6° | 109.8° |
| C20 | C19 | C18 | 127.7° | 120.0° |
| C20 | C19 | H35 | 116.1° | 120.1° |
| C3 | C2 | C1 | 104.6° | 106.3° |
| C2 | C3 | H1 | 105.0° | 110.4° |
| C3 | C2 | H6 | 110.7° | 110.1° |
| C3 | C2 | H7 | 110.7° | 110.1° |
| O1 | C22 | H2 | 109.6° | 109.4° |
| C22 | O1 | H38 | 109.5° | 114.0° |
| C19 | C18 | C17 | 127.1° | 120.0° |
| C18 | C19 | H35 | 116.2° | 119.9° |
| C19 | C18 | H34 | 116.5° | 119.9° |
| C16 | C17 | C18 | 125.9° | 122.4° |
| C16 | C17 | C | 109.5° | 115.2° |
| C17 | C16 | H32 | 109.3° | 109.2° |
| C17 | C16 | H33 | 109.3° | 109.2° |
| C18 | C17 | C | 123.8° | 122.4° |
| C17 | C18 | H34 | 116.4° | 120.1° |
| C17 | C | C1 | 124.0° | 116.7° |
| C17 | C | H | 107.2° | 110.6° |
| C | C1 | C2 | 105.7° | 102.8° |
| C1 | C | H | 106.8° | 111.2° |
| C | C1 | H5 | 110.4° | 110.7° |
| C | C1 | H4 | 110.4° | 110.8° |
| C1 | C2 | H6 | 110.7° | 110.1° |
| C1 | C2 | H7 | 110.7° | 110.1° |
| C2 | C1 | H5 | 110.4° | 110.7° |
| C2 | C1 | H4 | 110.4° | 110.8° |
| H9 | C5 | H8 | 109.4° | 109.5° |
| H9 | C5 | H10 | 109.4° | 109.5° |
| H8 | C5 | H10 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| H15 | C7 | H14 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.5° |
| H20 | C10 | H19 | 109.5° | 109.4° |
| H21 | C10 | H19 | 109.5° | 109.5° |
| H23 | C11 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.4° |
| H22 | C11 | H24 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.4° |
| H26 | C13 | H25 | 109.5° | 109.5° |
| H27 | C13 | H25 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.8° |
| H30 | C15 | H31 | 109.5° | 108.9° |
| H39 | C23 | H40 | 109.5° | 109.4° |
| H37 | C21 | H36 | 109.5° | 109.6° |
| H42 | C26 | H43 | 120.0° | 120.0° |
| H32 | C16 | H33 | 109.5° | 109.2° |
| H6 | C2 | H7 | 109.5° | 110.1° |
| H5 | C1 | H4 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C9 | C10 | C8 | 124.5° | 120.0° |
| C11 | C9 | C10 | H18 | 117.1° | 120.0° |
| C11 | C9 | C8 | H18 | 116.7° | 120.0° |
| C11 | C9 | C8 | C7 | 179.0° | 65.0° |
| C11 | C9 | C8 | H16 | 58.0° | 175.0° |
| C11 | C9 | C8 | H17 | 59.9° | 55.0° |
| C11 | C9 | C10 | H20 | 180.0° | 60.0° |
| C11 | C9 | C10 | H21 | 60.0° | 60.0° |
| C11 | C9 | C10 | H19 | 60.0° | 180.0° |
| C9 | C11 | H23 | H22 | 120.0° | 120.1° |
| C9 | C11 | H23 | H24 | 120.0° | 120.0° |
| C9 | C11 | H22 | H24 | 119.9° | 120.0° |
| C10 | C9 | C8 | H18 | 118.4° | 120.0° |
| C10 | C9 | C8 | C7 | 54.2° | 175.0° |
| C10 | C9 | C8 | H16 | 66.9° | 55.0° |
| C10 | C9 | C8 | H17 | 175.2° | 65.0° |
| C9 | C10 | H20 | H21 | 120.0° | 120.0° |
| C9 | C10 | H20 | H19 | 120.0° | 120.0° |
| C9 | C10 | H21 | H19 | 120.0° | 120.0° |
| C10 | C9 | C11 | H23 | 180.0° | 180.0° |
| C10 | C9 | C11 | H22 | 60.0° | 60.0° |
| C10 | C9 | C11 | H24 | 60.0° | 60.0° |
| C9 | C8 | C7 | H16 | 121.1° | 120.0° |
| C9 | C8 | C7 | H17 | 121.1° | 120.0° |
| C9 | C8 | C7 | C6 | 153.0° | 179.9° |
| C9 | C8 | C7 | H15 | 32.4° | 60.0° |
| C9 | C8 | C7 | H14 | 86.3° | 60.0° |
| C9 | C8 | H16 | H17 | 116.7° | 120.0° |
| C8 | C9 | C10 | H20 | 55.5° | 60.0° |
| C8 | C9 | C10 | H21 | 175.5° | 180.0° |
| C8 | C9 | C10 | H19 | 64.5° | 60.0° |
| C8 | C9 | C11 | H23 | 53.8° | 60.0° |
| C8 | C9 | C11 | H22 | 66.2° | 180.0° |
| C8 | C9 | C11 | H24 | 173.8° | 60.0° |
| C8 | C7 | C6 | H15 | 120.7° | 120.1° |
| C8 | C7 | C6 | H14 | 120.7° | 119.9° |
| C8 | C7 | C6 | C4 | 148.4° | 180.0° |
| C8 | C7 | C6 | H12 | 90.6° | 59.9° |
| C8 | C7 | C6 | H13 | 27.5° | 60.1° |
| C8 | C7 | H15 | H14 | 117.9° | 120.0° |
| C7 | C8 | H16 | H17 | 116.7° | 120.0° |
| C7 | C8 | C9 | H18 | 64.3° | 55.0° |
| C7 | C6 | C4 | H12 | 120.9° | 120.0° |
| C7 | C6 | C4 | H13 | 120.9° | 119.9° |
| C7 | C6 | C4 | O | 55.4° | 60.1° |
| C7 | C6 | C4 | C5 | 58.5° | 60.0° |
| C7 | C6 | C4 | C3 | 175.0° | 179.9° |
| C7 | C6 | H12 | H13 | 117.0° | 119.9° |
| C6 | C7 | H15 | H14 | 117.9° | 119.9° |
| C6 | C7 | C8 | H16 | 85.9° | 59.9° |
| C6 | C7 | C8 | H17 | 32.0° | 60.1° |
| C6 | C4 | O | C5 | 114.3° | 120.1° |
| C6 | C4 | O | C3 | 124.5° | 120.0° |
| C6 | C4 | C5 | C3 | 128.9° | 120.0° |
| C6 | C4 | C3 | C12 | 64.5° | 179.9° |
| C6 | C4 | C3 | C2 | 62.4° | 64.3° |
| C6 | C4 | C5 | H9 | 180.0° | 180.0° |
| C6 | C4 | C5 | H8 | 60.0° | 60.0° |
| C6 | C4 | C5 | H10 | 60.0° | 60.0° |
| C4 | C6 | H12 | H13 | 117.0° | 120.0° |
| C4 | C6 | C7 | H15 | 27.8° | 59.9° |
| C4 | C6 | C7 | H14 | 90.9° | 60.1° |
| C6 | C4 | C3 | H1 | 176.4° | 57.9° |
| C6 | C4 | O | H11 | 180.0° | 60.0° |
| O | C4 | C5 | C3 | 118.9° | 120.0° |
| O | C4 | C3 | C12 | 52.9° | 60.0° |
| O | C4 | C3 | C2 | 179.8° | 55.6° |
| O | C4 | C5 | H9 | 67.8° | 60.0° |
| O | C4 | C5 | H8 | 52.2° | 60.0° |
| O | C4 | C5 | H10 | 172.2° | 180.0° |
| O | C4 | C6 | H12 | 176.3° | 60.0° |
| O | C4 | C6 | H13 | 65.6° | 180.0° |
| O | C4 | C3 | H1 | 66.1° | 177.8° |
| C13 | C12 | C14 | C15 | 64.7° | 50.1° |
| C13 | C12 | C14 | C3 | 131.9° | 125.5° |
| C13 | C12 | C14 | C | 119.7° | 118.3° |
| C13 | C12 | C3 | C4 | 61.5° | 33.0° |
| C13 | C12 | C3 | C | 116.0° | 116.1° |
| C13 | C12 | C3 | C2 | 69.5° | 85.9° |
| C13 | C12 | C | C17 | 58.2° | 51.5° |
| C13 | C12 | C | C1 | 74.7° | 70.6° |
| C12 | C13 | H26 | H27 | 120.0° | 120.0° |
| C12 | C13 | H26 | H25 | 120.0° | 120.1° |
| C12 | C13 | H27 | H25 | 120.0° | 120.0° |
| C13 | C12 | C14 | H28 | 174.7° | 69.4° |
| C13 | C12 | C14 | H29 | 55.8° | 169.7° |
| C13 | C12 | C | H | 172.7° | 171.4° |
| C13 | C12 | C3 | H1 | 179.5° | 155.1° |
| C26 | C25 | C24 | C23 | 121.0° | 133.4° |
| C26 | C25 | C20 | C24 | 176.4° | 180.0° |
| C26 | C25 | C24 | O2 | 2.4° | 106.9° |
| C26 | C25 | C20 | C21 | 130.6° | 136.9° |
| C26 | C25 | C20 | C19 | 38.6° | 43.0° |
| C26 | C25 | C24 | H3 | 120.2° | 13.7° |
| C25 | C26 | H42 | H43 | 180.0° | 179.9° |
| C14 | C15 | C16 | H30 | 120.3° | 120.6° |
| C14 | C15 | C16 | H31 | 120.3° | 120.6° |
| C15 | C14 | C12 | H28 | 120.6° | 119.5° |
| C15 | C14 | C12 | H29 | 120.5° | 119.6° |
| C15 | C14 | C12 | C3 | 163.4° | 175.6° |
| C15 | C14 | C12 | C | 54.9° | 68.1° |
| C14 | C15 | C16 | C17 | 53.4° | 48.6° |
| C15 | C14 | H28 | H29 | 118.3° | 121.0° |
| C14 | C15 | H30 | H31 | 119.1° | 118.9° |
| C14 | C15 | C16 | H32 | 173.5° | 168.9° |
| C14 | C15 | C16 | H33 | 66.7° | 71.7° |
| C16 | C15 | C14 | C12 | 50.9° | 59.1° |
| C15 | C16 | C17 | H32 | 120.1° | 120.3° |
| C15 | C16 | C17 | H33 | 120.1° | 120.3° |
| C15 | C16 | C17 | C18 | 107.7° | 129.7° |
| C15 | C16 | C17 | C | 62.8° | 50.2° |
| C16 | C15 | C14 | H28 | 69.6° | 178.6° |
| C16 | C15 | C14 | H29 | 171.5° | 60.5° |
| C16 | C15 | H30 | H31 | 119.2° | 118.9° |
| C15 | C16 | H32 | H33 | 119.7° | 119.4° |
| C14 | C12 | C3 | C4 | 68.3° | 92.2° |
| C14 | C12 | C3 | C | 114.3° | 118.6° |
| C14 | C12 | C3 | C2 | 160.7° | 148.9° |
| C14 | C12 | C | C17 | 61.7° | 66.5° |
| C14 | C12 | C | C1 | 165.4° | 171.4° |
| C14 | C12 | C13 | H26 | 180.0° | 64.0° |
| C14 | C12 | C13 | H27 | 60.0° | 56.0° |
| C14 | C12 | C13 | H25 | 60.0° | 176.0° |
| C12 | C14 | H28 | H29 | 118.3° | 120.9° |
| C12 | C14 | C15 | H30 | 69.3° | 61.5° |
| C12 | C14 | C15 | H31 | 171.2° | 179.7° |
| C14 | C12 | C | H | 52.8° | 53.3° |
| C14 | C12 | C3 | H1 | 50.7° | 29.9° |
| C5 | C4 | C3 | C12 | 171.0° | 60.0° |
| C5 | C4 | C3 | C2 | 62.0° | 175.6° |
| C4 | C5 | H9 | H8 | 120.0° | 120.0° |
| C4 | C5 | H9 | H10 | 120.0° | 120.0° |
| C4 | C5 | H8 | H10 | 120.0° | 120.0° |
| C5 | C4 | C6 | H12 | 62.4° | 180.0° |
| C5 | C4 | C6 | H13 | 179.4° | 59.9° |
| C5 | C4 | C3 | H1 | 52.0° | 62.2° |
| C5 | C4 | O | H11 | 65.7° | 180.0° |
| C4 | C3 | C12 | C2 | 131.0° | 118.9° |
| C4 | C3 | C12 | H1 | 119.0° | 122.1° |
| C4 | C3 | C12 | C | 177.4° | 149.1° |
| C4 | C3 | C2 | H1 | 113.9° | 122.1° |
| C4 | C3 | C2 | C1 | 166.8° | 122.9° |
| C3 | C4 | C5 | H9 | 51.1° | 60.0° |
| C3 | C4 | C5 | H8 | 171.1° | 180.0° |
| C3 | C4 | C5 | H10 | 68.9° | 60.0° |
| C3 | C4 | C6 | H12 | 64.1° | 60.0° |
| C3 | C4 | C6 | H13 | 54.0° | 60.1° |
| C4 | C3 | C2 | H6 | 74.0° | 117.9° |
| C4 | C3 | C2 | H7 | 47.6° | 3.7° |
| C3 | C4 | O | H11 | 55.5° | 60.0° |
| C12 | C3 | C2 | H1 | 109.9° | 119.0° |
| C3 | C12 | C | C17 | 177.9° | 167.7° |
| C3 | C12 | C | C1 | 45.0° | 45.6° |
| C12 | C3 | C2 | C1 | 30.6° | 4.0° |
| C3 | C12 | C13 | H26 | 47.5° | 66.6° |
| C3 | C12 | C13 | H27 | 72.5° | 173.5° |
| C3 | C12 | C13 | H25 | 167.5° | 53.5° |
| C3 | C12 | C14 | H28 | 42.9° | 56.1° |
| C3 | C12 | C14 | H29 | 76.0° | 64.8° |
| C3 | C12 | C | H | 67.6° | 72.5° |
| C12 | C3 | C2 | H6 | 149.8° | 123.2° |
| C12 | C3 | C2 | H7 | 88.6° | 115.2° |
| C | C12 | C3 | C2 | 46.4° | 30.3° |
| C12 | C | C17 | C16 | 67.2° | 58.1° |
| C12 | C | C17 | C18 | 103.6° | 121.8° |
| C12 | C | C17 | C1 | 121.0° | 111.5° |
| C12 | C | C17 | H | 114.1° | 120.0° |
| C12 | C | C1 | H | 112.5° | 117.9° |
| C12 | C | C1 | C2 | 27.6° | 42.3° |
| C | C12 | C13 | H26 | 61.4° | 178.8° |
| C | C12 | C13 | H27 | 178.6° | 61.3° |
| C | C12 | C13 | H25 | 58.6° | 58.8° |
| C | C12 | C14 | H28 | 65.6° | 172.4° |
| C | C12 | C14 | H29 | 175.5° | 51.5° |
| C | C12 | C3 | H1 | 63.6° | 88.7° |
| C12 | C | C1 | H5 | 91.7° | 76.0° |
| C12 | C | C1 | H4 | 147.1° | 160.6° |
| C22 | C23 | C24 | H39 | 120.1° | 120.1° |
| C22 | C23 | C24 | H40 | 120.1° | 120.1° |
| C22 | C23 | C24 | C25 | 63.2° | 57.7° |
| C22 | C23 | C24 | O2 | 178.5° | 62.0° |
| C23 | C22 | C21 | C20 | 49.3° | 57.7° |
| C23 | C22 | C21 | O1 | 121.4° | 120.1° |
| C23 | C22 | C21 | H2 | 118.7° | 120.1° |
| C23 | C22 | O1 | H2 | 119.0° | 119.9° |
| C22 | C23 | C24 | H3 | 55.7° | 177.4° |
| C22 | C23 | H39 | H40 | 119.7° | 119.9° |
| C23 | C22 | O1 | H38 | 180.0° | 180.0° |
| C23 | C22 | C21 | H37 | 71.1° | 62.0° |
| C23 | C22 | C21 | H36 | 169.8° | 177.5° |
| C23 | C24 | C25 | C20 | 55.5° | 46.6° |
| C23 | C24 | C25 | O2 | 118.6° | 119.7° |
| C23 | C24 | C25 | H3 | 118.8° | 119.7° |
| C23 | C24 | O2 | H3 | 121.9° | 120.5° |
| C24 | C23 | C22 | C21 | 62.4° | 66.2° |
| C24 | C23 | C22 | O1 | 59.3° | 173.7° |
| C23 | C24 | O2 | H41 | 180.0° | 179.5° |
| C24 | C23 | H39 | H40 | 119.7° | 119.8° |
| C24 | C23 | C22 | H2 | 179.0° | 53.8° |
| C20 | C25 | C24 | O2 | 174.1° | 73.1° |
| C25 | C20 | C21 | C19 | 169.4° | 179.9° |
| C25 | C20 | C21 | C22 | 41.2° | 46.6° |
| C25 | C20 | C19 | C18 | 12.9° | 0.1° |
| C20 | C25 | C24 | H3 | 63.3° | 166.3° |
| C25 | C20 | C21 | H37 | 79.3° | 73.1° |
| C25 | C20 | C21 | H36 | 161.7° | 166.4° |
| C20 | C25 | C26 | H42 | 176.2° | 0.1° |
| C20 | C25 | C26 | H43 | 3.8° | 180.0° |
| C25 | C20 | C19 | H35 | 167.1° | 179.9° |
| C25 | C24 | O2 | H3 | 121.9° | 120.6° |
| C24 | C25 | C20 | C21 | 45.9° | 43.1° |
| C24 | C25 | C20 | C19 | 145.0° | 137.0° |
| C25 | C24 | O2 | H41 | 63.8° | 60.6° |
| C25 | C24 | C23 | H39 | 56.9° | 62.3° |
| C25 | C24 | C23 | H40 | 176.7° | 177.8° |
| C24 | C25 | C26 | H42 | 0.0° | 180.0° |
| C24 | C25 | C26 | H43 | 180.0° | 0.0° |
| O2 | C24 | C23 | H39 | 61.4° | 177.9° |
| O2 | C24 | C23 | H40 | 58.4° | 58.1° |
| C20 | C21 | C22 | H37 | 120.5° | 119.7° |
| C20 | C21 | C22 | H36 | 120.5° | 119.8° |
| C20 | C21 | C22 | O1 | 72.1° | 177.8° |
| C21 | C20 | C19 | C18 | 178.6° | 180.0° |
| C20 | C21 | C22 | H2 | 168.0° | 62.4° |
| C20 | C21 | H37 | H36 | 118.5° | 120.5° |
| C21 | C20 | C19 | H35 | 1.4° | 0.0° |
| C22 | C21 | C20 | C19 | 149.4° | 133.5° |
| C21 | C22 | O1 | H2 | 119.2° | 119.8° |
| C21 | C22 | C23 | H39 | 57.7° | 53.8° |
| C21 | C22 | C23 | H40 | 177.5° | 173.7° |
| C21 | C22 | O1 | H38 | 58.2° | 59.7° |
| C22 | C21 | H37 | H36 | 118.5° | 120.6° |
| C20 | C19 | C18 | H35 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 172.4° | 180.0° |
| C19 | C20 | C21 | H37 | 90.1° | 106.8° |
| C19 | C20 | C21 | H36 | 28.9° | 13.7° |
| C20 | C19 | C18 | H34 | 7.6° | 0.0° |
| C3 | C2 | C1 | C | 1.8° | 24.1° |
| C3 | C2 | C1 | H6 | 119.2° | 119.2° |
| C3 | C2 | C1 | H7 | 119.2° | 119.2° |
| C3 | C2 | H6 | H7 | 122.3° | 121.6° |
| C3 | C2 | C1 | H5 | 121.2° | 94.1° |
| C3 | C2 | C1 | H4 | 117.6° | 142.5° |
| O1 | C22 | C23 | H39 | 179.4° | 66.2° |
| O1 | C22 | C23 | H40 | 60.9° | 53.6° |
| O1 | C22 | C21 | H37 | 167.5° | 58.1° |
| O1 | C22 | C21 | H36 | 48.5° | 62.5° |
| C19 | C18 | C17 | C16 | 11.4° | 0.1° |
| C19 | C18 | C17 | H34 | 180.0° | 180.0° |
| C19 | C18 | C17 | C | 179.4° | 180.0° |
| C16 | C17 | C18 | C | 169.2° | 179.9° |
| C16 | C17 | C | C1 | 171.9° | 169.6° |
| C17 | C16 | C15 | H30 | 66.9° | 72.0° |
| C17 | C16 | C15 | H31 | 173.6° | 169.2° |
| C16 | C17 | C18 | H34 | 168.6° | 180.0° |
| C16 | C17 | C | H | 46.9° | 61.9° |
| C17 | C16 | H32 | H33 | 119.7° | 119.4° |
| C18 | C17 | C | C1 | 17.4° | 10.3° |
| C17 | C18 | C19 | H35 | 7.6° | 0.0° |
| C18 | C17 | C | H | 142.3° | 118.2° |
| C18 | C17 | C16 | H32 | 12.4° | 9.4° |
| C18 | C17 | C16 | H33 | 132.2° | 110.0° |
| C17 | C | C1 | H | 125.1° | 128.2° |
| C17 | C | C1 | C2 | 150.0° | 156.2° |
| C | C17 | C18 | H34 | 0.6° | 0.1° |
| C | C17 | C16 | H32 | 177.1° | 170.5° |
| C | C17 | C16 | H33 | 57.3° | 70.1° |
| C17 | C | C1 | H5 | 30.6° | 37.9° |
| C17 | C | C1 | H4 | 90.5° | 85.4° |
| C | C1 | C2 | H5 | 119.4° | 118.3° |
| C | C1 | C2 | H4 | 119.4° | 118.4° |
| C | C1 | C2 | H6 | 121.0° | 95.0° |
| C | C1 | C2 | H7 | 117.4° | 143.3° |
| C | C1 | H5 | H4 | 121.8° | 123.3° |
| C2 | C1 | C | H | 84.9° | 75.6° |
| C1 | C2 | C3 | H1 | 79.3° | 115.0° |
| C1 | C2 | H6 | H7 | 122.3° | 121.6° |
| C2 | C1 | H5 | H4 | 121.8° | 123.3° |
| H9 | C5 | H8 | H10 | 119.9° | 120.0° |
| H12 | C6 | C7 | H15 | 148.7° | 180.0° |
| H12 | C6 | C7 | H14 | 30.0° | 60.0° |
| H13 | C6 | C7 | H15 | 93.2° | 60.1° |
| H13 | C6 | C7 | H14 | 148.2° | NaN° |
| H15 | C7 | C8 | H16 | 153.4° | 180.0° |
| H15 | C7 | C8 | H17 | 88.7° | 60.0° |
| H14 | C7 | C8 | H16 | 34.8° | 60.0° |
| H14 | C7 | C8 | H17 | 152.7° | 180.0° |
| H16 | C8 | C9 | H18 | 174.7° | 65.0° |
| H17 | C8 | C9 | H18 | 56.8° | 175.0° |
| H18 | C9 | C10 | H20 | 62.9° | 180.0° |
| H18 | C9 | C10 | H21 | 57.1° | 60.0° |
| H18 | C9 | C10 | H19 | 177.0° | 60.0° |
| H18 | C9 | C11 | H23 | 62.9° | 60.0° |
| H18 | C9 | C11 | H22 | 177.0° | 60.0° |
| H18 | C9 | C11 | H24 | 57.1° | 180.0° |
| H20 | C10 | H21 | H19 | 120.0° | 120.0° |
| H23 | C11 | H22 | H24 | 120.0° | 120.0° |
| H26 | C13 | H27 | H25 | 120.0° | 120.0° |
| H28 | C14 | C15 | H30 | 170.1° | 58.0° |
| H28 | C14 | C15 | H31 | 50.7° | 60.9° |
| H29 | C14 | C15 | H30 | 51.2° | 179.0° |
| H29 | C14 | C15 | H31 | 68.2° | 60.1° |
| H30 | C15 | C16 | H32 | 53.2° | 48.3° |
| H30 | C15 | C16 | H33 | 173.0° | 167.7° |
| H31 | C15 | C16 | H32 | 66.2° | 70.5° |
| H31 | C15 | C16 | H33 | 53.5° | 48.9° |
| H41 | O2 | C24 | H3 | 58.1° | 60.0° |
| H3 | C24 | C23 | H39 | 175.8° | 57.4° |
| H3 | C24 | C23 | H40 | 64.4° | 62.4° |
| H39 | C23 | C22 | H2 | 60.9° | 173.9° |
| H40 | C23 | C22 | H2 | 58.9° | 66.3° |
| H2 | C22 | O1 | H38 | 61.0° | 60.1° |
| H2 | C22 | C21 | H37 | 47.5° | 177.8° |
| H2 | C22 | C21 | H36 | 71.5° | 57.3° |
| H35 | C19 | C18 | H34 | 172.4° | 180.0° |
| H | C | C1 | H5 | 155.7° | 166.1° |
| H | C | C1 | H4 | 34.5° | 42.8° |
| H1 | C3 | C2 | H6 | 39.9° | 4.2° |
| H1 | C3 | C2 | H7 | 161.5° | 125.8° |
| H6 | C2 | C1 | H5 | 119.6° | 146.7° |
| H6 | C2 | C1 | H4 | 1.6° | 23.3° |
| H7 | C2 | C1 | H5 | 2.0° | 25.1° |
| H7 | C2 | C1 | H4 | 123.2° | 98.3° |
