YSV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C2 | doub | 1.31Å | 1.32Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | C10 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C10 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.33Å | 1.35Å | |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | doub | 1.33Å | 1.35Å | |
| C8 | C14 | sing | 1.50Å | 1.50Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C18 | C13 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.56Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C13 | C17 | sing | 1.52Å | 1.51Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.57Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C17 | C20 | sing | 1.53Å | 1.55Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | O3 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.08Å | 1.08Å | |
| C6 | H34 | sing | 1.08Å | 1.08Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| O2 | H40 | sing | 0.97Å | 0.95Å | |
| C28 | H41 | sing | 1.08Å | 1.08Å | |
| C28 | H42 | sing | 1.08Å | 1.08Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| O1 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C2 | C3 | 122.7° | 120.6° |
| C28 | C2 | C1 | 120.5° | 120.7° |
| C2 | C28 | H41 | 120.0° | 120.0° |
| C2 | C28 | H42 | 120.0° | 120.0° |
| O2 | C3 | C2 | 110.1° | 109.7° |
| O2 | C3 | C4 | 112.4° | 109.6° |
| O2 | C3 | H39 | 108.4° | 109.6° |
| C3 | O2 | H40 | 109.5° | 114.0° |
| C3 | C2 | C1 | 116.7° | 118.7° |
| C2 | C3 | C4 | 111.2° | 108.6° |
| C2 | C3 | H39 | 107.5° | 109.6° |
| C2 | C1 | O1 | 107.6° | 109.6° |
| C2 | C1 | C10 | 109.3° | 108.7° |
| C2 | C1 | H43 | 109.2° | 109.7° |
| C3 | C4 | C5 | 114.9° | 108.6° |
| C3 | C4 | H37 | 108.1° | 109.5° |
| C3 | C4 | H38 | 108.1° | 109.8° |
| C4 | C3 | H39 | 107.2° | 109.7° |
| O1 | C1 | C10 | 111.1° | 109.8° |
| O1 | C1 | H43 | 110.7° | 109.6° |
| C1 | O1 | H44 | 109.5° | 114.0° |
| C1 | C10 | C5 | 110.7° | 108.6° |
| C1 | C10 | H35 | 109.1° | 109.7° |
| C1 | C10 | H36 | 109.1° | 109.8° |
| C10 | C1 | H43 | 108.9° | 109.4° |
| C4 | C5 | C10 | 121.0° | 118.8° |
| C4 | C5 | C6 | 121.2° | 120.6° |
| C5 | C4 | H37 | 108.1° | 109.7° |
| C5 | C4 | H38 | 108.1° | 109.6° |
| C10 | C5 | C6 | 117.7° | 120.6° |
| C5 | C10 | H35 | 109.1° | 109.6° |
| C5 | C10 | H36 | 109.1° | 109.6° |
| C5 | C6 | C7 | 123.2° | 120.0° |
| C5 | C6 | H34 | 118.4° | 120.0° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C6 | C7 | H33 | 119.6° | 120.0° |
| C7 | C6 | H34 | 118.4° | 120.0° |
| C7 | C8 | C14 | 122.2° | 122.4° |
| C7 | C8 | C9 | 122.8° | 121.8° |
| C8 | C7 | H33 | 119.6° | 120.0° |
| C14 | C8 | C9 | 114.9° | 115.8° |
| C8 | C14 | C15 | 119.9° | 117.2° |
| C8 | C14 | C13 | 109.5° | 105.5° |
| C8 | C14 | H24 | 107.1° | 110.7° |
| C8 | C9 | C11 | 112.6° | 110.8° |
| C8 | C9 | H31 | 108.7° | 109.4° |
| C8 | C9 | H32 | 108.7° | 108.9° |
| C14 | C15 | C16 | 102.2° | 102.7° |
| C15 | C14 | C13 | 106.3° | 101.2° |
| C15 | C14 | H24 | 106.5° | 110.6° |
| C14 | C15 | H25 | 111.3° | 110.7° |
| C14 | C15 | H26 | 111.2° | 110.8° |
| C15 | C16 | C17 | 107.4° | 106.3° |
| C15 | C16 | H19 | 110.0° | 110.0° |
| C15 | C16 | H20 | 110.0° | 110.1° |
| C16 | C15 | H25 | 111.3° | 110.9° |
| C16 | C15 | H26 | 111.3° | 110.7° |
| C18 | C13 | C14 | 110.4° | 108.6° |
| C18 | C13 | C17 | 111.0° | 109.3° |
| C18 | C13 | C12 | 109.8° | 109.3° |
| C13 | C18 | H21 | 109.5° | 109.4° |
| C13 | C18 | H22 | 109.4° | 109.4° |
| C13 | C18 | H23 | 109.5° | 109.4° |
| C14 | C13 | C17 | 99.8° | 103.2° |
| C14 | C13 | C12 | 108.4° | 107.6° |
| C13 | C14 | H24 | 106.7° | 110.9° |
| C9 | C11 | C12 | 111.5° | 111.8° |
| C9 | C11 | H29 | 109.0° | 109.1° |
| C9 | C11 | H30 | 109.0° | 108.9° |
| C11 | C9 | H31 | 108.7° | 109.3° |
| C11 | C9 | H32 | 108.7° | 109.3° |
| C16 | C17 | C13 | 105.5° | 105.1° |
| C16 | C17 | C20 | 117.0° | 110.3° |
| C16 | C17 | H18 | 106.0° | 110.4° |
| C17 | C16 | H19 | 110.0° | 110.1° |
| C17 | C16 | H20 | 110.0° | 110.2° |
| C17 | C13 | C12 | 116.9° | 118.4° |
| C13 | C17 | C20 | 115.4° | 110.3° |
| C13 | C17 | H18 | 106.3° | 110.3° |
| C13 | C12 | C11 | 110.3° | 107.6° |
| C13 | C12 | H27 | 109.2° | 109.9° |
| C13 | C12 | H28 | 109.2° | 109.8° |
| C26 | C25 | C24 | 110.5° | 109.4° |
| C26 | C25 | C27 | 110.1° | 109.5° |
| C26 | C25 | O3 | 108.0° | 109.5° |
| C25 | C26 | H5 | 109.5° | 109.5° |
| C25 | C26 | H6 | 109.5° | 109.5° |
| C25 | C26 | H7 | 109.5° | 109.5° |
| C25 | C24 | C23 | 112.1° | 109.5° |
| C24 | C25 | C27 | 112.0° | 109.5° |
| C24 | C25 | O3 | 107.8° | 109.5° |
| C25 | C24 | H8 | 108.8° | 109.4° |
| C25 | C24 | H9 | 108.8° | 109.5° |
| C24 | C23 | C22 | 111.0° | 109.5° |
| C23 | C24 | H8 | 108.8° | 109.5° |
| C23 | C24 | H9 | 108.8° | 109.5° |
| C24 | C23 | H10 | 109.1° | 109.5° |
| C24 | C23 | H11 | 109.1° | 109.5° |
| C11 | C12 | H27 | 109.3° | 109.9° |
| C11 | C12 | H28 | 109.3° | 109.9° |
| C12 | C11 | H29 | 109.0° | 109.0° |
| C12 | C11 | H30 | 109.0° | 109.0° |
| C23 | C22 | C20 | 110.6° | 109.5° |
| C22 | C23 | H10 | 109.1° | 109.4° |
| C22 | C23 | H11 | 109.1° | 109.4° |
| C23 | C22 | H12 | 109.2° | 109.4° |
| C23 | C22 | H13 | 109.2° | 109.4° |
| C22 | C20 | C17 | 114.5° | 109.4° |
| C22 | C20 | C21 | 110.4° | 109.5° |
| C20 | C22 | H12 | 109.2° | 109.5° |
| C20 | C22 | H13 | 109.2° | 109.5° |
| C22 | C20 | H14 | 107.3° | 109.5° |
| C17 | C20 | C21 | 110.0° | 109.5° |
| C17 | C20 | H14 | 106.9° | 109.4° |
| C20 | C17 | H18 | 105.9° | 110.3° |
| C27 | C25 | O3 | 108.5° | 109.5° |
| C25 | C27 | H2 | 109.5° | 109.4° |
| C25 | C27 | H3 | 109.5° | 109.5° |
| C25 | C27 | H4 | 109.5° | 109.5° |
| C25 | O3 | H1 | 109.5° | 113.9° |
| C21 | C20 | H14 | 107.4° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| H2 | C27 | H3 | 109.5° | 109.5° |
| H2 | C27 | H4 | 109.4° | 109.5° |
| H3 | C27 | H4 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H5 | C26 | H7 | 109.4° | 109.4° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.4° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.4° | 109.5° |
| H15 | C21 | H16 | 109.4° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.5° | 110.1° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H23 | 109.4° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.4° | 110.8° |
| H27 | C12 | H28 | 109.5° | 109.8° |
| H29 | C11 | H30 | 109.5° | 109.0° |
| H31 | C9 | H32 | 109.5° | 109.2° |
| H35 | C10 | H36 | 109.5° | 109.6° |
| H37 | C4 | H38 | 109.4° | 109.7° |
| H41 | C28 | H42 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C2 | C3 | O2 | 5.3° | 4.9° |
| C28 | C2 | C3 | C1 | 177.7° | 179.7° |
| C28 | C2 | C3 | C4 | 130.4° | 124.7° |
| C28 | C2 | C1 | O1 | 116.3° | 115.3° |
| C28 | C2 | C1 | C10 | 123.0° | 124.7° |
| C28 | C2 | C3 | H39 | 112.6° | 115.5° |
| C2 | C28 | H41 | H42 | 180.0° | 180.0° |
| C28 | C2 | C1 | H43 | 3.9° | 5.1° |
| O2 | C3 | C2 | C4 | 125.1° | 119.8° |
| O2 | C3 | C2 | H39 | 117.9° | 120.4° |
| O2 | C3 | C2 | C1 | 177.1° | 175.4° |
| O2 | C3 | C4 | H39 | 119.0° | 120.4° |
| O2 | C3 | C4 | C5 | 160.5° | 169.4° |
| O2 | C3 | C4 | H37 | 39.7° | 70.9° |
| O2 | C3 | C4 | H38 | 78.7° | 49.6° |
| C2 | C3 | C4 | H39 | 117.2° | 119.8° |
| C3 | C2 | C1 | O1 | 61.5° | 64.5° |
| C3 | C2 | C1 | C10 | 59.3° | 55.6° |
| C2 | C3 | C4 | C5 | 36.6° | 49.5° |
| C2 | C3 | C4 | H37 | 84.2° | 169.2° |
| C2 | C3 | C4 | H38 | 157.4° | 70.3° |
| C2 | C3 | O2 | H40 | 180.0° | 60.8° |
| C3 | C2 | C28 | H41 | 177.6° | 0.0° |
| C3 | C2 | C28 | H42 | 2.4° | 180.0° |
| C3 | C2 | C1 | H43 | 178.4° | 175.2° |
| C1 | C2 | C3 | C4 | 51.9° | 55.6° |
| C2 | C1 | O1 | C10 | 119.6° | 119.3° |
| C2 | C1 | O1 | H43 | 119.2° | 120.4° |
| C2 | C1 | C10 | H43 | 119.2° | 119.7° |
| C2 | C1 | C10 | C5 | 49.4° | 49.6° |
| C2 | C1 | C10 | H35 | 169.6° | 70.1° |
| C2 | C1 | C10 | H36 | 70.7° | 169.4° |
| C1 | C2 | C3 | H39 | 65.1° | 64.2° |
| C1 | C2 | C28 | H41 | 0.0° | 179.7° |
| C1 | C2 | C28 | H42 | 180.0° | 0.3° |
| C2 | C1 | O1 | H44 | 180.0° | 60.0° |
| C3 | C4 | C5 | H37 | 120.8° | 119.7° |
| C3 | C4 | C5 | H38 | 120.8° | 119.9° |
| C3 | C4 | C5 | C10 | 34.3° | 55.0° |
| C3 | C4 | C5 | C6 | 148.8° | 124.7° |
| C3 | C4 | H37 | H38 | 117.5° | 120.5° |
| C4 | C3 | O2 | H40 | 55.5° | 180.0° |
| O1 | C1 | C10 | H43 | 122.2° | 120.3° |
| O1 | C1 | C10 | C5 | 69.2° | 70.4° |
| O1 | C1 | C10 | H35 | 51.0° | 169.9° |
| O1 | C1 | C10 | H36 | 170.7° | 49.4° |
| C1 | C10 | C5 | C4 | 40.8° | 55.0° |
| C1 | C10 | C5 | H35 | 120.2° | 119.8° |
| C1 | C10 | C5 | H36 | 120.2° | 119.9° |
| C1 | C10 | C5 | C6 | 142.3° | 124.7° |
| C1 | C10 | H35 | H36 | 119.4° | 120.6° |
| C10 | C1 | O1 | H44 | 60.4° | 179.4° |
| C4 | C5 | C10 | C6 | 177.0° | 179.7° |
| C4 | C5 | C6 | C7 | 2.3° | 7.0° |
| C4 | C5 | C6 | H34 | 177.8° | 173.0° |
| C4 | C5 | C10 | H35 | 160.9° | 64.7° |
| C4 | C5 | C10 | H36 | 79.4° | 174.9° |
| C5 | C4 | H37 | H38 | 117.5° | 120.4° |
| C5 | C4 | C3 | H39 | 80.6° | 70.3° |
| C10 | C5 | C6 | C7 | 179.2° | 173.3° |
| C10 | C5 | C6 | H34 | 0.8° | 6.7° |
| C5 | C10 | H35 | H36 | 119.4° | 120.3° |
| C10 | C5 | C4 | H37 | 86.5° | 174.7° |
| C10 | C5 | C4 | H38 | 155.2° | 64.9° |
| C5 | C10 | C1 | H43 | 168.6° | 169.3° |
| C5 | C6 | C7 | H34 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 162.6° | 174.5° |
| C5 | C6 | C7 | H33 | 17.4° | 5.4° |
| C6 | C5 | C10 | H35 | 22.1° | 115.5° |
| C6 | C5 | C10 | H36 | 97.5° | 4.8° |
| C6 | C5 | C4 | H37 | 90.4° | 5.0° |
| C6 | C5 | C4 | H38 | 28.0° | 115.4° |
| C6 | C7 | C8 | H33 | 180.0° | 179.9° |
| C6 | C7 | C8 | C14 | 179.0° | 173.4° |
| C6 | C7 | C8 | C9 | 1.9° | 7.1° |
| C7 | C8 | C14 | C9 | 179.2° | 179.5° |
| C7 | C8 | C14 | C15 | 2.2° | 10.2° |
| C7 | C8 | C14 | C13 | 125.5° | 121.9° |
| C7 | C8 | C9 | C11 | 134.5° | 129.8° |
| C7 | C8 | C14 | H24 | 119.1° | 118.0° |
| C7 | C8 | C9 | H31 | 105.1° | 9.3° |
| C7 | C8 | C9 | H32 | 14.0° | 110.0° |
| C8 | C7 | C6 | H34 | 17.4° | 5.5° |
| C8 | C14 | C15 | C13 | 124.9° | 114.1° |
| C8 | C14 | C15 | H24 | 121.7° | 128.3° |
| C8 | C14 | C15 | C16 | 153.6° | 156.3° |
| C8 | C14 | C13 | C18 | 56.9° | 52.2° |
| C8 | C14 | C13 | H24 | 115.7° | 120.0° |
| C14 | C8 | C9 | C11 | 46.4° | 49.8° |
| C8 | C14 | C13 | C17 | 173.8° | 168.1° |
| C8 | C14 | C13 | C12 | 63.5° | 66.0° |
| C8 | C14 | C15 | H25 | 34.8° | 85.2° |
| C8 | C14 | C15 | H26 | 87.5° | 38.1° |
| C14 | C8 | C9 | H31 | 74.1° | 170.3° |
| C14 | C8 | C9 | H32 | 166.8° | 70.4° |
| C14 | C8 | C7 | H33 | 1.0° | 6.6° |
| C9 | C8 | C14 | C15 | 178.6° | 169.4° |
| C9 | C8 | C14 | C13 | 55.3° | 57.7° |
| C8 | C9 | C11 | H31 | 120.5° | 120.6° |
| C8 | C9 | C11 | H32 | 120.5° | 120.0° |
| C8 | C9 | C11 | C12 | 44.3° | 48.3° |
| C9 | C8 | C14 | H24 | 60.1° | 62.4° |
| C8 | C9 | C11 | H29 | 164.6° | 72.3° |
| C8 | C9 | C11 | H30 | 76.0° | 168.8° |
| C8 | C9 | H31 | H32 | 118.5° | 119.1° |
| C9 | C8 | C7 | H33 | 178.1° | 172.9° |
| C14 | C15 | C16 | H25 | 118.8° | 118.3° |
| C14 | C15 | C16 | H26 | 118.8° | 118.3° |
| C15 | C14 | C13 | C18 | 74.2° | 70.5° |
| C15 | C14 | C13 | H24 | 113.3° | 117.4° |
| C14 | C15 | C16 | C17 | 3.5° | 24.1° |
| C15 | C14 | C13 | C17 | 42.8° | 45.5° |
| C15 | C14 | C13 | C12 | 165.5° | 171.4° |
| C14 | C15 | C16 | H19 | 123.2° | 95.1° |
| C14 | C15 | C16 | H20 | 116.2° | 143.5° |
| C14 | C15 | H25 | H26 | 123.3° | 123.3° |
| C16 | C15 | C14 | C13 | 28.8° | 42.2° |
| C15 | C16 | C17 | H19 | 119.7° | 119.1° |
| C15 | C16 | C17 | H20 | 119.7° | 119.3° |
| C15 | C16 | C17 | C13 | 23.1° | 4.0° |
| C15 | C16 | C17 | C20 | 152.9° | 122.9° |
| C15 | C16 | C17 | H18 | 89.3° | 115.0° |
| C15 | C16 | H19 | H20 | 120.9° | 121.5° |
| C16 | C15 | C14 | H24 | 84.7° | 75.4° |
| C16 | C15 | H25 | H26 | 123.4° | 123.3° |
| C18 | C13 | C14 | C17 | 116.9° | 115.9° |
| C18 | C13 | C14 | C12 | 120.3° | 118.2° |
| C18 | C13 | C17 | C16 | 76.9° | 85.2° |
| C18 | C13 | C17 | C12 | 127.0° | 125.9° |
| C18 | C13 | C12 | C11 | 57.3° | 49.8° |
| C18 | C13 | C17 | C20 | 53.9° | 33.7° |
| C18 | C13 | C17 | H18 | 170.9° | 155.8° |
| C13 | C18 | H21 | H22 | 120.0° | 119.9° |
| C13 | C18 | H21 | H23 | 120.0° | 119.9° |
| C13 | C18 | H22 | H23 | 120.0° | 119.9° |
| C18 | C13 | C14 | H24 | 172.5° | 172.1° |
| C18 | C13 | C12 | H27 | 62.8° | 69.8° |
| C18 | C13 | C12 | H28 | 177.4° | 169.3° |
| C14 | C13 | C17 | C16 | 39.6° | 30.2° |
| C14 | C13 | C17 | C12 | 116.5° | 118.7° |
| C14 | C13 | C12 | C11 | 63.4° | 68.0° |
| C14 | C13 | C17 | C20 | 170.3° | 149.1° |
| C14 | C13 | C17 | H18 | 72.7° | 88.8° |
| C14 | C13 | C18 | H21 | 180.0° | 178.7° |
| C14 | C13 | C18 | H22 | 60.0° | 58.7° |
| C14 | C13 | C18 | H23 | 60.0° | 61.3° |
| C13 | C14 | C15 | H25 | 90.1° | 160.7° |
| C13 | C14 | C15 | H26 | 147.6° | 76.0° |
| C14 | C13 | C12 | H27 | 176.5° | 172.4° |
| C14 | C13 | C12 | H28 | 56.7° | 51.5° |
| C9 | C11 | C12 | C13 | 54.3° | 59.0° |
| C9 | C11 | C12 | H29 | 120.3° | 120.6° |
| C9 | C11 | C12 | H30 | 120.3° | 120.5° |
| C9 | C11 | C12 | H27 | 174.4° | 178.6° |
| C9 | C11 | C12 | H28 | 65.8° | 60.5° |
| C9 | C11 | H29 | H30 | 119.1° | 118.8° |
| C11 | C9 | H31 | H32 | 118.6° | 119.5° |
| C16 | C17 | C13 | C20 | 130.7° | 118.9° |
| C16 | C17 | C13 | H18 | 112.3° | 119.0° |
| C16 | C17 | C13 | C12 | 156.1° | 148.9° |
| C16 | C17 | C20 | C22 | 37.7° | 62.8° |
| C16 | C17 | C20 | H18 | 117.8° | 122.1° |
| C16 | C17 | C20 | C21 | 87.3° | 177.2° |
| C16 | C17 | C20 | H14 | 156.4° | 57.1° |
| C17 | C16 | H19 | H20 | 121.0° | 121.6° |
| C17 | C16 | C15 | H25 | 115.4° | 142.5° |
| C17 | C16 | C15 | H26 | 122.3° | 94.2° |
| C17 | C13 | C12 | C11 | 175.1° | 175.6° |
| C13 | C17 | C20 | C22 | 87.2° | 178.6° |
| C13 | C17 | C20 | H18 | 117.2° | 122.1° |
| C13 | C17 | C20 | C21 | 147.7° | 61.4° |
| C13 | C17 | C20 | H14 | 31.4° | 58.6° |
| C13 | C17 | C16 | H19 | 96.5° | 123.1° |
| C13 | C17 | C16 | H20 | 142.8° | 115.4° |
| C17 | C13 | C18 | H21 | 70.3° | 69.4° |
| C17 | C13 | C18 | H22 | 169.7° | 170.6° |
| C17 | C13 | C18 | H23 | 49.8° | 50.6° |
| C17 | C13 | C14 | H24 | 70.6° | 71.9° |
| C17 | C13 | C12 | H27 | 64.8° | 56.0° |
| C17 | C13 | C12 | H28 | 55.0° | 64.8° |
| C13 | C12 | C11 | H27 | 120.1° | 119.6° |
| C13 | C12 | C11 | H28 | 120.1° | 119.5° |
| C12 | C13 | C17 | C20 | 73.1° | 92.2° |
| C12 | C13 | C17 | H18 | 43.9° | 29.9° |
| C12 | C13 | C18 | H21 | 60.5° | 61.6° |
| C12 | C13 | C18 | H22 | 59.5° | 58.4° |
| C12 | C13 | C18 | H23 | 179.5° | 178.4° |
| C12 | C13 | C14 | H24 | 52.2° | 54.0° |
| C13 | C12 | H27 | H28 | 119.6° | 120.9° |
| C13 | C12 | C11 | H29 | 174.6° | 61.6° |
| C13 | C12 | C11 | H30 | 66.0° | 179.6° |
| C26 | C25 | C24 | C27 | 123.1° | 120.0° |
| C26 | C25 | C24 | O3 | 117.8° | 120.0° |
| C26 | C25 | C24 | C23 | 171.8° | 60.0° |
| C26 | C25 | C27 | O3 | 117.9° | 120.0° |
| C26 | C25 | O3 | H1 | 180.0° | 180.0° |
| C26 | C25 | C27 | H2 | 180.0° | 60.0° |
| C26 | C25 | C27 | H3 | 60.0° | 60.0° |
| C26 | C25 | C27 | H4 | 60.0° | 180.0° |
| C25 | C26 | H5 | H6 | 120.0° | 120.0° |
| C25 | C26 | H5 | H7 | 120.0° | 120.0° |
| C25 | C26 | H6 | H7 | 120.0° | 120.0° |
| C26 | C25 | C24 | H8 | 67.8° | 180.0° |
| C26 | C25 | C24 | H9 | 51.4° | 60.0° |
| C25 | C24 | C23 | H8 | 120.4° | 119.9° |
| C25 | C24 | C23 | H9 | 120.4° | 120.0° |
| C25 | C24 | C23 | C22 | 177.0° | 180.0° |
| C24 | C25 | C27 | O3 | 118.8° | 120.0° |
| C24 | C25 | O3 | H1 | 60.6° | 60.0° |
| C24 | C25 | C27 | H2 | 56.7° | 180.0° |
| C24 | C25 | C27 | H3 | 63.3° | 60.0° |
| C24 | C25 | C27 | H4 | 176.7° | 60.0° |
| C24 | C25 | C26 | H5 | 180.0° | 180.0° |
| C24 | C25 | C26 | H6 | 60.0° | 60.0° |
| C24 | C25 | C26 | H7 | 60.0° | 60.0° |
| C25 | C24 | H8 | H9 | 118.8° | 120.0° |
| C25 | C24 | C23 | H10 | 62.8° | 60.1° |
| C25 | C24 | C23 | H11 | 56.7° | 60.0° |
| C24 | C23 | C22 | H10 | 120.2° | 120.0° |
| C24 | C23 | C22 | H11 | 120.2° | 120.0° |
| C24 | C23 | C22 | C20 | 177.1° | 180.0° |
| C23 | C24 | C25 | C27 | 48.7° | NaN° |
| C23 | C24 | C25 | O3 | 70.4° | 60.0° |
| C23 | C24 | H8 | H9 | 118.8° | 120.1° |
| C24 | C23 | H10 | H11 | 119.3° | 120.1° |
| C24 | C23 | C22 | H12 | 56.9° | 60.0° |
| C24 | C23 | C22 | H13 | 62.8° | 60.0° |
| C11 | C12 | H27 | H28 | 119.6° | 121.0° |
| C12 | C11 | H29 | H30 | 119.1° | 118.8° |
| C12 | C11 | C9 | H31 | 76.2° | 168.9° |
| C12 | C11 | C9 | H32 | 164.7° | 71.7° |
| C23 | C22 | C20 | H12 | 120.2° | 120.0° |
| C23 | C22 | C20 | H13 | 120.2° | 120.0° |
| C23 | C22 | C20 | C17 | 172.2° | 175.0° |
| C23 | C22 | C20 | C21 | 63.0° | 65.0° |
| C22 | C23 | C24 | H8 | 56.6° | 60.0° |
| C22 | C23 | C24 | H9 | 62.6° | 60.0° |
| C22 | C23 | H10 | H11 | 119.3° | 119.9° |
| C23 | C22 | H12 | H13 | 119.5° | 119.9° |
| C23 | C22 | C20 | H14 | 53.7° | 55.0° |
| C22 | C20 | C17 | C21 | 125.0° | 120.0° |
| C22 | C20 | C17 | H14 | 118.7° | 120.0° |
| C22 | C20 | C21 | H14 | 116.7° | 120.1° |
| C20 | C22 | C23 | H10 | 62.7° | 60.0° |
| C20 | C22 | C23 | H11 | 56.8° | 60.0° |
| C20 | C22 | H12 | H13 | 119.4° | 120.1° |
| C22 | C20 | C21 | H15 | 180.0° | 180.0° |
| C22 | C20 | C21 | H16 | 60.0° | 60.0° |
| C22 | C20 | C21 | H17 | 60.0° | 59.9° |
| C22 | C20 | C17 | H18 | 155.6° | 59.3° |
| C17 | C20 | C21 | H14 | 116.0° | 120.0° |
| C17 | C20 | C22 | H12 | 67.6° | 65.0° |
| C17 | C20 | C22 | H13 | 52.0° | 55.0° |
| C17 | C20 | C21 | H15 | 52.7° | 60.0° |
| C17 | C20 | C21 | H16 | 172.7° | 179.9° |
| C17 | C20 | C21 | H17 | 67.3° | 60.0° |
| C20 | C17 | C16 | H19 | 33.3° | 118.0° |
| C20 | C17 | C16 | H20 | 87.4° | 3.6° |
| C27 | C25 | O3 | H1 | 60.8° | 60.0° |
| C25 | C27 | H2 | H3 | 120.0° | 120.0° |
| C25 | C27 | H2 | H4 | 120.0° | 120.0° |
| C25 | C27 | H3 | H4 | 120.0° | 120.1° |
| C27 | C25 | C26 | H5 | 55.9° | 60.0° |
| C27 | C25 | C26 | H6 | 64.2° | 180.0° |
| C27 | C25 | C26 | H7 | 175.8° | 59.9° |
| C27 | C25 | C24 | H8 | 169.1° | 60.0° |
| C27 | C25 | C24 | H9 | 71.7° | 60.0° |
| O3 | C25 | C27 | H2 | 62.0° | 60.0° |
| O3 | C25 | C27 | H3 | 177.9° | 180.0° |
| O3 | C25 | C27 | H4 | 57.9° | 60.0° |
| O3 | C25 | C26 | H5 | 62.3° | 60.0° |
| O3 | C25 | C26 | H6 | 177.6° | 60.0° |
| O3 | C25 | C26 | H7 | 57.6° | 180.0° |
| O3 | C25 | C24 | H8 | 50.0° | 60.0° |
| O3 | C25 | C24 | H9 | 169.2° | 180.0° |
| C21 | C20 | C22 | H12 | 57.2° | 55.0° |
| C21 | C20 | C22 | H13 | 176.8° | 175.0° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C21 | C20 | C17 | H18 | 30.5° | 60.7° |
| H2 | C27 | H3 | H4 | 120.0° | 120.0° |
| H5 | C26 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | C23 | H10 | 176.8° | 180.0° |
| H8 | C24 | C23 | H11 | 63.7° | 59.9° |
| H9 | C24 | C23 | H10 | 57.6° | 59.9° |
| H9 | C24 | C23 | H11 | 177.1° | 180.0° |
| H10 | C23 | C22 | H12 | 177.1° | 180.0° |
| H10 | C23 | C22 | H13 | 57.4° | 60.0° |
| H11 | C23 | C22 | H12 | 63.4° | 60.1° |
| H11 | C23 | C22 | H13 | 177.0° | 180.0° |
| H12 | C22 | C20 | H14 | 173.9° | 175.0° |
| H13 | C22 | C20 | H14 | 66.5° | 64.9° |
| H14 | C20 | C21 | H15 | 63.3° | 60.0° |
| H14 | C20 | C21 | H16 | 56.6° | 60.1° |
| H14 | C20 | C21 | H17 | 176.7° | 180.0° |
| H14 | C20 | C17 | H18 | 85.8° | 179.3° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C17 | C16 | H19 | 151.0° | 4.1° |
| H18 | C17 | C16 | H20 | 30.4° | 125.7° |
| H19 | C16 | C15 | H25 | 4.3° | 23.3° |
| H19 | C16 | C15 | H26 | 118.0° | 146.6° |
| H20 | C16 | C15 | H25 | 125.0° | 98.2° |
| H20 | C16 | C15 | H26 | 2.6° | 25.2° |
| H21 | C18 | H22 | H23 | 120.0° | 120.1° |
| H24 | C14 | C15 | H25 | 156.4° | 43.1° |
| H24 | C14 | C15 | H26 | 34.1° | 166.4° |
| H27 | C12 | C11 | H29 | 65.3° | 58.0° |
| H27 | C12 | C11 | H30 | 54.1° | 60.9° |
| H28 | C12 | C11 | H29 | 54.5° | 178.9° |
| H28 | C12 | C11 | H30 | 173.9° | 60.1° |
| H29 | C11 | C9 | H31 | 44.1° | 48.3° |
| H29 | C11 | C9 | H32 | 75.0° | 167.7° |
| H30 | C11 | C9 | H31 | 163.5° | 70.6° |
| H30 | C11 | C9 | H32 | 44.4° | 48.9° |
| H33 | C7 | C6 | H34 | 162.6° | 174.6° |
| H35 | C10 | C1 | H43 | 71.2° | 49.6° |
| H36 | C10 | C1 | H43 | 48.5° | 70.9° |
| H37 | C4 | C3 | H39 | 158.6° | 49.5° |
| H38 | C4 | C3 | H39 | 40.3° | 169.9° |
| H39 | C3 | O2 | H40 | 62.7° | 59.6° |
| H43 | C1 | O1 | H44 | 60.8° | 60.4° |
