A1L64
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.21Å | 1.22Å | |
| C1M | C1 | sing | 1.51Å | 1.50Å | |
| C3M | O3 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.48Å | 1.44Å | |
| C2 | C3 | sing | 1.48Å | 1.40Å | |
| C1 | C6 | doub | 1.34Å | 1.38Å | |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.35Å | 1.42Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.48Å | 1.42Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.48Å | 1.41Å | |
| C4 | O4 | sing | 1.36Å | 1.36Å | |
| C5 | O5 | doub | 1.21Å | 1.22Å | |
| O4 | C4M | sing | 1.43Å | 1.43Å | |
| C8 | C9 | doub | 1.31Å | 1.32Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | doub | 1.31Å | 1.33Å | |
| C14 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | C19 | doub | 1.31Å | 1.33Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C21 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C26 | C24 | sing | 1.51Å | 1.50Å | |
| C23 | C24 | doub | 1.31Å | 1.33Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C1M | H1 | sing | 1.09Å | 1.10Å | |
| C1M | H2 | sing | 1.09Å | 1.10Å | |
| C1M | H3 | sing | 1.09Å | 1.10Å | |
| C3M | H4 | sing | 1.09Å | 1.10Å | |
| C3M | H5 | sing | 1.09Å | 1.10Å | |
| C3M | H6 | sing | 1.09Å | 1.10Å | |
| C4M | H7 | sing | 1.09Å | 1.10Å | |
| C4M | H8 | sing | 1.09Å | 1.10Å | |
| C4M | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C1 | 120.5° | 120.0° |
| O2 | C2 | C3 | 117.7° | 120.0° |
| C1M | C1 | C2 | 117.1° | 119.9° |
| C1M | C1 | C6 | 124.1° | 119.9° |
| C1 | C1M | H1 | 109.5° | 109.5° |
| C1 | C1M | H2 | 109.5° | 109.5° |
| C1 | C1M | H3 | 109.4° | 109.5° |
| C3M | O3 | C3 | 117.2° | 117.0° |
| O3 | C3M | H4 | 109.5° | 109.5° |
| O3 | C3M | H5 | 109.5° | 109.5° |
| O3 | C3M | H6 | 109.4° | 109.5° |
| C1 | C2 | C3 | 121.8° | 120.0° |
| C2 | C1 | C6 | 118.7° | 120.2° |
| C2 | C3 | O3 | 107.2° | 120.1° |
| C2 | C3 | C4 | 119.2° | 119.8° |
| C1 | C6 | C7 | 121.3° | 120.0° |
| C1 | C6 | C5 | 119.7° | 120.1° |
| O3 | C3 | C4 | 133.5° | 120.1° |
| C3 | C4 | C5 | 118.2° | 119.9° |
| C3 | C4 | O4 | 133.1° | 120.0° |
| C7 | C6 | C5 | 118.9° | 119.9° |
| C6 | C7 | C8 | 113.0° | 109.4° |
| C6 | C7 | H10 | 108.6° | 109.5° |
| C6 | C7 | H11 | 108.6° | 109.4° |
| C6 | C5 | C4 | 122.0° | 120.0° |
| C6 | C5 | O5 | 121.1° | 120.0° |
| C7 | C8 | C9 | 127.1° | 120.0° |
| C8 | C7 | H10 | 108.6° | 109.5° |
| C8 | C7 | H11 | 108.6° | 109.5° |
| C7 | C8 | H12 | 116.5° | 120.0° |
| C5 | C4 | O4 | 108.2° | 120.1° |
| C4 | C5 | O5 | 116.9° | 120.0° |
| C4 | O4 | C4M | 117.5° | 117.0° |
| O4 | C4M | H7 | 109.5° | 109.5° |
| O4 | C4M | H8 | 109.5° | 109.4° |
| O4 | C4M | H9 | 109.5° | 109.4° |
| C8 | C9 | C10 | 123.5° | 120.0° |
| C8 | C9 | C11 | 120.6° | 120.0° |
| C9 | C8 | H12 | 116.4° | 120.0° |
| C10 | C9 | C11 | 115.9° | 120.0° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| C9 | C10 | H14 | 109.4° | 109.5° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C11 | C12 | 114.1° | 109.5° |
| C9 | C11 | H16 | 108.3° | 109.4° |
| C9 | C11 | H17 | 108.3° | 109.5° |
| C11 | C12 | C13 | 112.3° | 109.5° |
| C12 | C11 | H16 | 108.3° | 109.4° |
| C12 | C11 | H17 | 108.3° | 109.5° |
| C11 | C12 | H18 | 108.8° | 109.4° |
| C11 | C12 | H19 | 108.8° | 109.5° |
| C12 | C13 | C14 | 127.6° | 120.0° |
| C13 | C12 | H18 | 108.7° | 109.5° |
| C13 | C12 | H19 | 108.8° | 109.4° |
| C12 | C13 | H20 | 116.2° | 120.0° |
| C15 | C14 | C13 | 124.9° | 120.0° |
| C15 | C14 | C16 | 114.2° | 120.0° |
| C14 | C15 | H23 | 109.5° | 109.4° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.4° |
| C13 | C14 | C16 | 118.7° | 120.0° |
| C14 | C13 | H20 | 116.2° | 120.0° |
| C14 | C16 | C17 | 114.5° | 109.5° |
| C14 | C16 | H26 | 108.2° | 109.5° |
| C14 | C16 | H27 | 108.2° | 109.4° |
| C16 | C17 | C18 | 110.6° | 109.5° |
| C17 | C16 | H26 | 108.2° | 109.5° |
| C17 | C16 | H27 | 108.2° | 109.5° |
| C16 | C17 | H28 | 109.2° | 109.5° |
| C16 | C17 | H29 | 109.2° | 109.5° |
| C17 | C18 | C19 | 128.0° | 120.0° |
| C18 | C17 | H28 | 109.2° | 109.4° |
| C18 | C17 | H29 | 109.2° | 109.5° |
| C17 | C18 | H30 | 116.0° | 120.0° |
| C18 | C19 | C21 | 120.2° | 120.0° |
| C18 | C19 | C20 | 123.9° | 120.0° |
| C19 | C18 | H30 | 116.0° | 120.0° |
| C21 | C22 | C23 | 110.2° | 109.5° |
| C22 | C21 | C19 | 112.5° | 109.5° |
| C22 | C21 | H34 | 108.7° | 109.5° |
| C22 | C21 | H35 | 108.7° | 109.5° |
| C21 | C22 | H36 | 109.3° | 109.5° |
| C21 | C22 | H37 | 109.3° | 109.5° |
| C22 | C23 | C24 | 128.9° | 120.0° |
| C23 | C22 | H36 | 109.3° | 109.5° |
| C23 | C22 | H37 | 109.3° | 109.5° |
| C22 | C23 | H38 | 115.5° | 120.0° |
| C21 | C19 | C20 | 115.8° | 120.0° |
| C19 | C21 | H34 | 108.7° | 109.5° |
| C19 | C21 | H35 | 108.7° | 109.5° |
| C19 | C20 | H31 | 109.5° | 109.5° |
| C19 | C20 | H32 | 109.5° | 109.5° |
| C19 | C20 | H33 | 109.4° | 109.5° |
| C26 | C24 | C23 | 121.9° | 120.1° |
| C26 | C24 | C25 | 115.1° | 120.0° |
| C24 | C26 | H44 | 109.5° | 109.4° |
| C24 | C26 | H45 | 109.5° | 109.5° |
| C24 | C26 | H46 | 109.5° | 109.5° |
| C23 | C24 | C25 | 122.9° | 120.0° |
| C24 | C23 | H38 | 115.5° | 120.0° |
| C24 | C25 | H41 | 109.5° | 109.5° |
| C24 | C25 | H42 | 109.5° | 109.5° |
| C24 | C25 | H43 | 109.5° | 109.5° |
| H1 | C1M | H2 | 109.4° | 109.5° |
| H1 | C1M | H3 | 109.5° | 109.4° |
| H2 | C1M | H3 | 109.5° | 109.5° |
| H4 | C3M | H5 | 109.4° | 109.5° |
| H4 | C3M | H6 | 109.4° | 109.4° |
| H5 | C3M | H6 | 109.5° | 109.5° |
| H7 | C4M | H8 | 109.5° | 109.5° |
| H7 | C4M | H9 | 109.5° | 109.5° |
| H8 | C4M | H9 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.4° | 109.5° |
| H23 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H31 | C20 | H33 | 109.5° | 109.4° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.5° | 109.4° |
| H41 | C25 | H42 | 109.5° | 109.4° |
| H41 | C25 | H43 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.4° |
| H44 | C26 | H45 | 109.5° | 109.5° |
| H44 | C26 | H46 | 109.5° | 109.4° |
| H45 | C26 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C1 | C1M | 3.1° | 0.2° |
| O2 | C2 | C1 | C3 | 179.4° | 180.0° |
| O2 | C2 | C1 | C6 | 176.6° | 180.0° |
| O2 | C2 | C3 | O3 | 8.7° | 0.0° |
| O2 | C2 | C3 | C4 | 174.3° | 180.0° |
| C1M | C1 | C2 | C6 | 179.7° | 179.8° |
| C1M | C1 | C2 | C3 | 177.5° | 179.7° |
| C1M | C1 | C6 | C7 | 0.3° | 0.2° |
| C1M | C1 | C6 | C5 | 178.4° | 179.7° |
| C1 | C1M | H1 | H2 | 120.0° | 120.0° |
| C1 | C1M | H1 | H3 | 120.0° | 120.0° |
| C1 | C1M | H2 | H3 | 120.0° | 120.0° |
| C3M | O3 | C3 | C2 | 134.4° | 64.3° |
| C3M | O3 | C3 | C4 | 49.2° | 115.6° |
| O3 | C3M | H4 | H5 | 120.0° | 120.0° |
| O3 | C3M | H4 | H6 | 120.0° | 120.0° |
| O3 | C3M | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | C3 | O3 | 171.9° | 180.0° |
| C1 | C2 | C3 | C4 | 5.1° | 0.1° |
| C2 | C1 | C6 | C7 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.9° | 0.1° |
| C2 | C1 | C1M | H1 | 180.0° | 89.8° |
| C2 | C1 | C1M | H2 | 60.0° | 30.2° |
| C2 | C1 | C1M | H3 | 60.0° | 150.2° |
| C3 | C2 | C1 | C6 | 2.8° | 0.1° |
| C2 | C3 | O3 | C4 | 176.4° | 180.0° |
| C2 | C3 | C4 | C5 | 6.4° | 0.1° |
| C2 | C3 | C4 | O4 | 177.4° | 180.0° |
| C1 | C6 | C7 | C5 | 178.1° | 179.9° |
| C1 | C6 | C7 | C8 | 89.9° | 95.0° |
| C1 | C6 | C5 | C4 | 3.5° | 0.1° |
| C1 | C6 | C5 | O5 | 175.0° | 179.9° |
| C6 | C1 | C1M | H1 | 0.3° | 90.0° |
| C6 | C1 | C1M | H2 | 119.7° | 150.0° |
| C6 | C1 | C1M | H3 | 120.3° | 29.9° |
| C1 | C6 | C7 | H10 | 149.6° | 145.0° |
| C1 | C6 | C7 | H11 | 30.6° | 24.9° |
| O3 | C3 | C4 | C5 | 169.6° | 180.0° |
| O3 | C3 | C4 | O4 | 1.4° | 0.0° |
| C3 | O3 | C3M | H4 | 180.0° | 54.8° |
| C3 | O3 | C3M | H5 | 60.0° | 65.2° |
| C3 | O3 | C3M | H6 | 60.0° | 174.8° |
| C3 | C4 | C5 | C6 | 5.7° | 0.1° |
| C3 | C4 | C5 | O4 | 173.1° | 180.0° |
| C3 | C4 | C5 | O5 | 172.8° | 180.0° |
| C3 | C4 | O4 | C4M | 29.7° | 113.1° |
| C6 | C7 | C8 | H10 | 120.5° | 120.0° |
| C6 | C7 | C8 | H11 | 120.5° | 119.9° |
| C7 | C6 | C5 | C4 | 178.4° | 180.0° |
| C7 | C6 | C5 | O5 | 3.2° | 0.0° |
| C6 | C7 | C8 | C9 | 120.4° | 119.4° |
| C6 | C7 | H10 | H11 | 118.4° | 120.0° |
| C6 | C7 | C8 | H12 | 59.6° | 60.6° |
| C5 | C6 | C7 | C8 | 88.2° | 85.0° |
| C6 | C5 | C4 | O5 | 178.5° | 180.0° |
| C6 | C5 | C4 | O4 | 178.8° | 180.0° |
| C5 | C6 | C7 | H10 | 32.3° | 34.9° |
| C5 | C6 | C7 | H11 | 151.2° | 155.0° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 2.0° | 1.0° |
| C7 | C8 | C9 | C11 | 176.5° | 179.0° |
| C8 | C7 | H10 | H11 | 118.4° | 120.1° |
| C5 | C4 | O4 | C4M | 142.0° | 66.9° |
| O4 | C4 | C5 | O5 | 0.3° | 0.0° |
| C4 | O4 | C4M | H7 | 180.0° | 55.3° |
| C4 | O4 | C4M | H8 | 60.0° | 175.3° |
| C4 | O4 | C4M | H9 | 60.0° | 64.7° |
| O4 | C4M | H7 | H8 | 120.0° | 120.0° |
| O4 | C4M | H7 | H9 | 120.0° | 120.0° |
| O4 | C4M | H8 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 178.5° | 180.0° |
| C8 | C9 | C11 | C12 | 84.6° | 95.1° |
| C9 | C8 | C7 | H10 | 0.2° | 0.6° |
| C9 | C8 | C7 | H11 | 119.1° | 120.6° |
| C8 | C9 | C10 | H13 | 180.0° | 84.3° |
| C8 | C9 | C10 | H14 | 60.0° | 155.7° |
| C8 | C9 | C10 | H15 | 60.0° | 35.7° |
| C8 | C9 | C11 | H16 | 36.1° | 145.0° |
| C8 | C9 | C11 | H17 | 154.7° | 25.0° |
| C10 | C9 | C11 | C12 | 96.8° | 85.0° |
| C10 | C9 | C8 | H12 | 178.0° | 179.0° |
| C9 | C10 | H13 | H14 | 120.0° | 120.0° |
| C9 | C10 | H13 | H15 | 120.0° | 120.0° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| C10 | C9 | C11 | H16 | 142.5° | 35.0° |
| C10 | C9 | C11 | H17 | 23.9° | 155.0° |
| C9 | C11 | C12 | H16 | 120.6° | 120.0° |
| C9 | C11 | C12 | H17 | 120.7° | 120.0° |
| C9 | C11 | C12 | C13 | 144.1° | 180.0° |
| C11 | C9 | C8 | H12 | 3.5° | 1.0° |
| C11 | C9 | C10 | H13 | 1.5° | 95.7° |
| C11 | C9 | C10 | H14 | 118.5° | 24.3° |
| C11 | C9 | C10 | H15 | 121.5° | 144.3° |
| C9 | C11 | H16 | H17 | 117.9° | 120.0° |
| C9 | C11 | C12 | H18 | 23.7° | 60.0° |
| C9 | C11 | C12 | H19 | 95.5° | 60.0° |
| C11 | C12 | C13 | H18 | 120.4° | 120.0° |
| C11 | C12 | C13 | H19 | 120.4° | 120.1° |
| C11 | C12 | C13 | C14 | 167.1° | 118.8° |
| C12 | C11 | H16 | H17 | 117.9° | 120.0° |
| C11 | C12 | H18 | H19 | 118.7° | 120.0° |
| C11 | C12 | C13 | H20 | 12.9° | 61.1° |
| C12 | C13 | C14 | C15 | 43.4° | 0.6° |
| C12 | C13 | C14 | H20 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 118.9° | 179.4° |
| C13 | C12 | C11 | H16 | 95.3° | 60.0° |
| C13 | C12 | C11 | H17 | 23.4° | 60.0° |
| C13 | C12 | H18 | H19 | 118.7° | 120.0° |
| C15 | C14 | C13 | C16 | 162.3° | 180.0° |
| C15 | C14 | C16 | C17 | 89.5° | 85.0° |
| C15 | C14 | C13 | H20 | 136.6° | 179.4° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| C14 | C15 | H23 | H25 | 120.0° | 119.9° |
| C14 | C15 | H24 | H25 | 120.0° | 120.0° |
| C15 | C14 | C16 | H26 | 149.8° | 35.0° |
| C15 | C14 | C16 | H27 | 31.2° | 155.0° |
| C13 | C14 | C16 | C17 | 106.4° | 95.0° |
| C14 | C13 | C12 | H18 | 46.7° | 1.2° |
| C14 | C13 | C12 | H19 | 72.5° | 121.1° |
| C13 | C14 | C15 | H23 | 180.0° | 84.3° |
| C13 | C14 | C15 | H24 | 60.0° | 155.7° |
| C13 | C14 | C15 | H25 | 60.0° | 35.7° |
| C13 | C14 | C16 | H26 | 14.4° | 145.0° |
| C13 | C14 | C16 | H27 | 132.9° | 25.0° |
| C14 | C16 | C17 | H26 | 120.8° | 120.0° |
| C14 | C16 | C17 | H27 | 120.7° | 120.0° |
| C14 | C16 | C17 | C18 | 140.4° | 180.0° |
| C16 | C14 | C13 | H20 | 61.1° | 0.6° |
| C16 | C14 | C15 | H23 | 17.0° | 95.7° |
| C16 | C14 | C15 | H24 | 103.0° | 24.2° |
| C16 | C14 | C15 | H25 | 137.0° | 144.3° |
| C14 | C16 | H26 | H27 | 117.7° | 120.0° |
| C14 | C16 | C17 | H28 | 20.3° | 60.0° |
| C14 | C16 | C17 | H29 | 99.4° | 60.0° |
| C16 | C17 | C18 | H28 | 120.2° | 120.0° |
| C16 | C17 | C18 | H29 | 120.2° | 120.0° |
| C16 | C17 | C18 | C19 | 167.1° | 117.4° |
| C17 | C16 | H26 | H27 | 117.7° | 120.0° |
| C16 | C17 | H28 | H29 | 119.5° | 120.0° |
| C16 | C17 | C18 | H30 | 12.9° | 62.6° |
| C17 | C18 | C19 | H30 | 180.0° | 179.9° |
| C17 | C18 | C19 | C21 | 170.3° | 176.9° |
| C17 | C18 | C19 | C20 | 6.9° | 3.0° |
| C18 | C17 | C16 | H26 | 98.8° | 60.0° |
| C18 | C17 | C16 | H27 | 19.7° | 60.0° |
| C18 | C17 | H28 | H29 | 119.5° | 120.0° |
| C18 | C19 | C21 | C22 | 89.8° | 95.1° |
| C18 | C19 | C21 | C20 | 177.4° | 179.9° |
| C19 | C18 | C17 | H28 | 47.0° | 2.6° |
| C19 | C18 | C17 | H29 | 72.7° | 122.6° |
| C18 | C19 | C20 | H31 | 180.0° | 87.9° |
| C18 | C19 | C20 | H32 | 60.0° | 152.1° |
| C18 | C19 | C20 | H33 | 60.0° | 32.1° |
| C18 | C19 | C21 | H34 | 30.7° | 145.0° |
| C18 | C19 | C21 | H35 | 149.8° | 25.0° |
| C21 | C22 | C23 | H36 | 120.1° | 120.0° |
| C21 | C22 | C23 | H37 | 120.1° | 120.1° |
| C22 | C21 | C19 | H34 | 120.4° | 120.0° |
| C22 | C21 | C19 | H35 | 120.5° | 120.0° |
| C22 | C21 | C19 | C20 | 87.6° | 85.0° |
| C21 | C22 | C23 | C24 | 149.9° | 120.5° |
| C22 | C21 | H34 | H35 | 118.6° | 120.1° |
| C21 | C22 | H36 | H37 | 119.6° | 120.0° |
| C21 | C22 | C23 | H38 | 30.1° | 59.5° |
| C23 | C22 | C21 | C19 | 122.2° | 180.0° |
| C22 | C23 | C24 | C26 | 21.6° | 173.7° |
| C22 | C23 | C24 | H38 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 162.2° | 6.3° |
| C23 | C22 | C21 | H34 | 117.4° | 60.1° |
| C23 | C22 | C21 | H35 | 1.8° | 60.0° |
| C23 | C22 | H36 | H37 | 119.7° | 120.0° |
| C21 | C19 | C18 | H30 | 9.7° | 3.2° |
| C21 | C19 | C20 | H31 | 2.7° | 92.0° |
| C21 | C19 | C20 | H32 | 117.3° | 28.0° |
| C21 | C19 | C20 | H33 | 122.7° | 148.0° |
| C19 | C21 | H34 | H35 | 118.6° | 120.0° |
| C19 | C21 | C22 | H36 | 117.7° | 60.0° |
| C19 | C21 | C22 | H37 | 2.1° | 59.9° |
| C20 | C19 | C18 | H30 | 173.1° | 176.9° |
| C19 | C20 | H31 | H32 | 120.0° | 120.0° |
| C19 | C20 | H31 | H33 | 120.0° | 120.0° |
| C19 | C20 | H32 | H33 | 120.0° | 120.0° |
| C20 | C19 | C21 | H34 | 152.0° | 35.0° |
| C20 | C19 | C21 | H35 | 32.9° | 155.0° |
| C26 | C24 | C23 | C25 | 176.2° | 180.0° |
| C26 | C24 | C23 | H38 | 158.4° | 6.3° |
| C26 | C24 | C25 | H41 | 180.0° | 88.0° |
| C26 | C24 | C25 | H42 | 60.0° | 32.0° |
| C26 | C24 | C25 | H43 | 60.0° | 152.0° |
| C24 | C26 | H44 | H45 | 120.0° | 120.0° |
| C24 | C26 | H44 | H46 | 120.0° | 119.9° |
| C24 | C26 | H45 | H46 | 120.0° | 120.0° |
| C24 | C23 | C22 | H36 | 90.0° | 0.5° |
| C24 | C23 | C22 | H37 | 29.8° | 119.5° |
| C23 | C24 | C25 | H41 | 3.5° | 92.0° |
| C23 | C24 | C25 | H42 | 116.5° | 148.1° |
| C23 | C24 | C25 | H43 | 123.5° | 28.1° |
| C23 | C24 | C26 | H44 | 180.0° | 60.0° |
| C23 | C24 | C26 | H45 | 60.0° | 180.0° |
| C23 | C24 | C26 | H46 | 60.0° | 59.9° |
| C25 | C24 | C23 | H38 | 17.8° | 173.7° |
| C24 | C25 | H41 | H42 | 120.0° | 120.0° |
| C24 | C25 | H41 | H43 | 120.0° | 120.1° |
| C24 | C25 | H42 | H43 | 120.0° | 120.0° |
| C25 | C24 | C26 | H44 | 3.5° | 120.1° |
| C25 | C24 | C26 | H45 | 116.5° | 0.0° |
| C25 | C24 | C26 | H46 | 123.5° | 120.1° |
| H1 | C1M | H2 | H3 | 120.0° | 120.0° |
| H4 | C3M | H5 | H6 | 120.0° | 120.0° |
| H7 | C4M | H8 | H9 | 120.0° | 120.0° |
| H10 | C7 | C8 | H12 | 179.8° | 179.4° |
| H11 | C7 | C8 | H12 | 60.9° | 59.4° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| H16 | C11 | C12 | H18 | 144.3° | 180.0° |
| H16 | C11 | C12 | H19 | 25.1° | 60.0° |
| H17 | C11 | C12 | H18 | 97.0° | 60.0° |
| H17 | C11 | C12 | H19 | 143.8° | 180.0° |
| H18 | C12 | C13 | H20 | 133.3° | 178.9° |
| H19 | C12 | C13 | H20 | 107.5° | 58.9° |
| H23 | C15 | H24 | H25 | 120.0° | 120.0° |
| H26 | C16 | C17 | H28 | 141.0° | 180.0° |
| H26 | C16 | C17 | H29 | 21.4° | 60.0° |
| H27 | C16 | C17 | H28 | 100.5° | 60.0° |
| H27 | C16 | C17 | H29 | 139.9° | NaN° |
| H28 | C17 | C18 | H30 | 133.0° | 177.5° |
| H29 | C17 | C18 | H30 | 107.3° | 57.4° |
| H31 | C20 | H32 | H33 | 120.0° | 119.9° |
| H34 | C21 | C22 | H36 | 2.7° | 179.9° |
| H34 | C21 | C22 | H37 | 122.5° | 60.0° |
| H35 | C21 | C22 | H36 | 121.9° | 60.0° |
| H35 | C21 | C22 | H37 | 118.3° | 180.0° |
| H36 | C22 | C23 | H38 | 90.0° | 179.5° |
| H37 | C22 | C23 | H38 | 150.2° | 60.5° |
| H41 | C25 | H42 | H43 | 120.0° | 120.0° |
| H44 | C26 | H45 | H46 | 120.0° | 120.0° |
