YSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C31 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C25 | C20 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| O33 | C26 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.54Å | 1.53Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C17 | C13 | sing | 1.52Å | 1.52Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.56Å | 1.51Å | |
| C13 | C34 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.55Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C9 | sing | 1.50Å | 1.49Å | |
| C10 | C9 | sing | 1.52Å | 1.51Å | |
| C9 | C8 | doub | 1.33Å | 1.34Å | |
| C8 | C7 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | doub | 1.33Å | 1.34Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O31 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | O32 | sing | 1.43Å | 1.43Å | |
| C3 | C33 | doub | 1.31Å | 1.32Å | |
| O33 | H1 | sing | 0.97Å | 0.95Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.08Å | 1.08Å | |
| C7 | H40 | sing | 1.08Å | 1.08Å | |
| C5 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| O31 | H44 | sing | 0.97Å | 0.95Å | |
| C33 | H45 | sing | 1.08Å | 1.08Å | |
| C33 | H46 | sing | 1.08Å | 1.08Å | |
| C2 | H47 | sing | 1.09Å | 1.10Å | |
| O32 | H48 | sing | 0.97Å | 0.95Å | |
| C1 | H49 | sing | 1.09Å | 1.10Å | |
| C1 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C24 | C23 | 110.8° | 109.5° |
| C24 | C31 | C32 | 110.8° | 109.5° |
| C31 | C24 | H13 | 109.1° | 109.5° |
| C31 | C24 | H14 | 109.1° | 109.5° |
| C24 | C31 | H15 | 109.1° | 109.5° |
| C24 | C31 | H16 | 109.1° | 109.5° |
| C24 | C23 | C22 | 110.7° | 109.5° |
| C24 | C23 | H11 | 109.2° | 109.5° |
| C24 | C23 | H12 | 109.2° | 109.5° |
| C23 | C24 | H13 | 109.2° | 109.5° |
| C23 | C24 | H14 | 109.1° | 109.4° |
| C32 | C31 | H15 | 109.2° | 109.5° |
| C32 | C31 | H16 | 109.1° | 109.5° |
| C31 | C32 | H17 | 109.5° | 109.5° |
| C31 | C32 | H18 | 109.4° | 109.5° |
| C31 | C32 | H19 | 109.5° | 109.5° |
| C23 | C22 | C21 | 111.6° | 109.5° |
| C23 | C22 | H9 | 108.9° | 109.5° |
| C23 | C22 | H10 | 108.9° | 109.5° |
| C22 | C23 | H11 | 109.1° | 109.5° |
| C22 | C23 | H12 | 109.2° | 109.5° |
| C22 | C21 | C20 | 110.1° | 109.5° |
| C22 | C21 | H7 | 109.3° | 109.5° |
| C22 | C21 | H8 | 109.3° | 109.5° |
| C21 | C22 | H9 | 108.9° | 109.5° |
| C21 | C22 | H10 | 108.9° | 109.4° |
| C21 | C20 | C25 | 110.0° | 109.5° |
| C21 | C20 | C18 | 110.7° | 109.5° |
| C21 | C20 | H6 | 108.1° | 109.4° |
| C20 | C21 | H7 | 109.3° | 109.5° |
| C20 | C21 | H8 | 109.4° | 109.4° |
| C20 | C25 | C26 | 111.9° | 109.4° |
| C25 | C20 | C18 | 111.8° | 109.5° |
| C20 | C25 | H4 | 108.9° | 109.5° |
| C20 | C25 | H5 | 108.9° | 109.5° |
| C25 | C20 | H6 | 108.0° | 109.4° |
| C25 | C26 | O33 | 109.5° | 109.4° |
| C25 | C26 | H2 | 109.5° | 109.5° |
| C25 | C26 | H3 | 109.5° | 109.5° |
| C26 | C25 | H4 | 108.9° | 109.5° |
| C26 | C25 | H5 | 108.9° | 109.5° |
| C19 | C18 | C20 | 111.1° | 109.4° |
| C19 | C18 | C17 | 110.6° | 109.5° |
| C19 | C18 | H20 | 108.1° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.4° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C18 | C19 | H23 | 109.5° | 109.5° |
| C20 | C18 | C17 | 110.8° | 109.5° |
| C18 | C20 | H6 | 108.1° | 109.5° |
| C20 | C18 | H20 | 108.1° | 109.5° |
| C18 | C17 | C13 | 113.1° | 110.3° |
| C18 | C17 | C16 | 113.8° | 110.3° |
| C17 | C18 | H20 | 108.1° | 109.5° |
| C18 | C17 | H24 | 108.6° | 110.3° |
| C26 | O33 | H1 | 109.5° | 114.0° |
| O33 | C26 | H2 | 109.5° | 109.5° |
| O33 | C26 | H3 | 109.4° | 109.4° |
| C11 | C12 | C13 | 109.5° | 107.5° |
| C12 | C11 | C10 | 114.1° | 111.8° |
| C11 | C12 | H28 | 109.5° | 109.8° |
| C11 | C12 | H29 | 109.5° | 109.8° |
| C12 | C11 | H30 | 108.3° | 109.0° |
| C12 | C11 | H31 | 108.3° | 109.0° |
| C12 | C13 | C17 | 115.3° | 118.4° |
| C12 | C13 | C14 | 107.8° | 107.6° |
| C12 | C13 | C34 | 110.6° | 108.8° |
| C13 | C12 | H28 | 109.4° | 109.8° |
| C13 | C12 | H29 | 109.4° | 109.8° |
| C13 | C17 | C16 | 104.1° | 105.1° |
| C17 | C13 | C14 | 101.1° | 103.2° |
| C17 | C13 | C34 | 110.2° | 109.3° |
| C13 | C17 | H24 | 108.6° | 110.4° |
| C17 | C16 | C15 | 107.0° | 106.3° |
| C16 | C17 | H24 | 108.5° | 110.4° |
| C17 | C16 | H37 | 110.1° | 110.1° |
| C17 | C16 | H38 | 110.1° | 110.0° |
| C11 | C10 | C9 | 111.5° | 110.7° |
| C10 | C11 | H30 | 108.3° | 109.0° |
| C10 | C11 | H31 | 108.3° | 109.0° |
| C11 | C10 | H32 | 109.0° | 109.3° |
| C11 | C10 | H33 | 109.0° | 109.2° |
| C14 | C13 | C34 | 111.4° | 109.2° |
| C13 | C14 | C15 | 105.0° | 101.3° |
| C13 | C14 | C9 | 108.1° | 105.6° |
| C13 | C14 | H34 | 107.8° | 110.9° |
| C13 | C34 | H25 | 109.5° | 109.5° |
| C13 | C34 | H26 | 109.5° | 109.5° |
| C13 | C34 | H27 | 109.5° | 109.5° |
| C16 | C15 | C14 | 103.6° | 102.8° |
| C16 | C15 | H35 | 110.9° | 110.8° |
| C16 | C15 | H36 | 110.9° | 110.9° |
| C15 | C16 | H37 | 110.1° | 110.1° |
| C15 | C16 | H38 | 110.1° | 110.1° |
| C15 | C14 | C9 | 119.8° | 116.7° |
| C15 | C14 | H34 | 107.7° | 110.7° |
| C14 | C15 | H35 | 110.9° | 110.7° |
| C14 | C15 | H36 | 110.9° | 110.8° |
| C14 | C9 | C10 | 115.3° | 115.2° |
| C14 | C9 | C8 | 122.9° | 122.4° |
| C9 | C14 | H34 | 108.0° | 111.1° |
| C10 | C9 | C8 | 121.8° | 122.4° |
| C9 | C10 | H32 | 109.0° | 109.2° |
| C9 | C10 | H33 | 109.0° | 109.2° |
| C9 | C8 | C7 | 119.2° | 120.0° |
| C9 | C8 | H39 | 120.4° | 120.0° |
| C8 | C7 | C6 | 122.9° | 120.0° |
| C7 | C8 | H39 | 120.4° | 120.0° |
| C8 | C7 | H40 | 118.6° | 120.0° |
| C7 | C6 | C5 | 119.2° | 120.6° |
| C7 | C6 | C1 | 121.5° | 120.6° |
| C6 | C7 | H40 | 118.6° | 120.0° |
| C5 | C6 | C1 | 119.3° | 118.8° |
| C6 | C5 | C4 | 112.4° | 108.6° |
| C6 | C5 | H41 | 108.8° | 109.6° |
| C6 | C5 | H42 | 108.7° | 109.6° |
| C6 | C1 | C2 | 112.9° | 108.8° |
| C6 | C1 | H49 | 108.6° | 109.6° |
| C6 | C1 | H50 | 108.6° | 109.6° |
| C5 | C4 | O31 | 109.1° | 109.7° |
| C5 | C4 | C3 | 110.3° | 108.6° |
| C4 | C5 | H41 | 108.7° | 109.6° |
| C4 | C5 | H42 | 108.7° | 109.6° |
| C5 | C4 | H43 | 109.0° | 109.6° |
| C1 | C2 | C3 | 112.2° | 108.7° |
| C1 | C2 | O32 | 109.2° | 109.7° |
| C1 | C2 | H47 | 107.9° | 109.7° |
| C2 | C1 | H49 | 108.6° | 109.5° |
| C2 | C1 | H50 | 108.6° | 109.4° |
| O31 | C4 | C3 | 108.7° | 109.6° |
| O31 | C4 | H43 | 110.4° | 109.8° |
| C4 | O31 | H44 | 109.5° | 114.1° |
| C4 | C3 | C2 | 117.8° | 118.8° |
| C4 | C3 | C33 | 120.1° | 120.7° |
| C3 | C4 | H43 | 109.4° | 109.6° |
| C3 | C2 | O32 | 109.9° | 109.6° |
| C2 | C3 | C33 | 122.1° | 120.6° |
| C3 | C2 | H47 | 108.2° | 109.6° |
| O32 | C2 | H47 | 109.3° | 109.6° |
| C2 | O32 | H48 | 109.5° | 114.0° |
| C3 | C33 | H45 | 120.0° | 120.0° |
| C3 | C33 | H46 | 120.0° | 120.0° |
| H2 | C26 | H3 | 109.5° | 109.5° |
| H4 | C25 | H5 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.5° |
| H17 | C32 | H18 | 109.5° | 109.5° |
| H17 | C32 | H19 | 109.5° | 109.5° |
| H18 | C32 | H19 | 109.4° | 109.4° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H21 | C19 | H23 | 109.4° | 109.5° |
| H22 | C19 | H23 | 109.4° | 109.5° |
| H25 | C34 | H26 | 109.4° | 109.5° |
| H25 | C34 | H27 | 109.4° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.4° |
| H28 | C12 | H29 | 109.5° | 109.9° |
| H30 | C11 | H31 | 109.5° | 108.9° |
| H32 | C10 | H33 | 109.5° | 109.2° |
| H35 | C15 | H36 | 109.5° | 110.7° |
| H37 | C16 | H38 | 109.5° | 110.1° |
| H41 | C5 | H42 | 109.5° | 109.7° |
| H45 | C33 | H46 | 120.0° | 120.0° |
| H49 | C1 | H50 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C24 | C23 | H13 | 120.2° | 120.0° |
| C31 | C24 | C23 | H14 | 120.2° | 120.0° |
| C24 | C31 | C32 | H15 | 120.2° | 120.0° |
| C24 | C31 | C32 | H16 | 120.2° | 120.0° |
| C31 | C24 | C23 | C22 | 90.7° | 180.0° |
| C31 | C24 | C23 | H11 | 149.1° | 60.0° |
| C31 | C24 | C23 | H12 | 29.5° | 60.0° |
| C31 | C24 | H13 | H14 | 119.4° | 120.1° |
| C24 | C31 | H15 | H16 | 119.4° | 120.0° |
| C24 | C31 | C32 | H17 | 180.0° | 60.0° |
| C24 | C31 | C32 | H18 | 60.0° | 180.0° |
| C24 | C31 | C32 | H19 | 60.0° | 60.0° |
| C23 | C24 | C31 | C32 | 85.7° | 180.0° |
| C24 | C23 | C22 | H11 | 120.2° | 120.0° |
| C24 | C23 | C22 | H12 | 120.2° | 120.0° |
| C24 | C23 | C22 | C21 | 139.8° | 180.0° |
| C24 | C23 | C22 | H9 | 99.9° | 60.0° |
| C24 | C23 | C22 | H10 | 19.4° | 60.0° |
| C24 | C23 | H11 | H12 | 119.5° | 120.0° |
| C23 | C24 | H13 | H14 | 119.4° | 120.0° |
| C23 | C24 | C31 | H15 | 154.1° | 60.0° |
| C23 | C24 | C31 | H16 | 34.5° | 60.0° |
| C32 | C31 | C24 | H13 | 154.1° | 60.0° |
| C32 | C31 | C24 | H14 | 34.5° | 60.0° |
| C32 | C31 | H15 | H16 | 119.4° | 120.0° |
| C31 | C32 | H17 | H18 | 120.0° | 120.0° |
| C31 | C32 | H17 | H19 | 120.0° | 120.0° |
| C31 | C32 | H18 | H19 | 120.0° | 120.0° |
| C23 | C22 | C21 | H9 | 120.3° | 120.0° |
| C23 | C22 | C21 | H10 | 120.3° | 120.0° |
| C23 | C22 | C21 | C20 | 153.5° | 180.0° |
| C23 | C22 | C21 | H7 | 86.4° | 60.0° |
| C23 | C22 | C21 | H8 | 33.4° | 60.0° |
| C23 | C22 | H9 | H10 | 119.0° | 120.1° |
| C22 | C23 | H11 | H12 | 119.4° | 120.0° |
| C22 | C23 | C24 | H13 | 29.5° | 60.0° |
| C22 | C23 | C24 | H14 | 149.1° | 60.0° |
| C22 | C21 | C20 | H7 | 120.1° | 120.0° |
| C22 | C21 | C20 | H8 | 120.1° | 120.0° |
| C22 | C21 | C20 | C25 | 81.9° | 65.0° |
| C22 | C21 | C20 | C18 | 154.1° | 175.0° |
| C22 | C21 | C20 | H6 | 35.9° | 55.0° |
| C22 | C21 | H7 | H8 | 119.7° | 120.0° |
| C21 | C22 | H9 | H10 | 119.0° | 120.0° |
| C21 | C22 | C23 | H11 | 19.6° | 60.0° |
| C21 | C22 | C23 | H12 | 100.1° | 60.0° |
| C21 | C20 | C25 | C18 | 123.4° | 120.1° |
| C21 | C20 | C25 | H6 | 117.8° | 119.9° |
| C21 | C20 | C25 | C26 | 157.4° | 174.8° |
| C21 | C20 | C18 | C19 | 59.2° | 55.4° |
| C21 | C20 | C18 | H6 | 118.2° | 120.0° |
| C21 | C20 | C18 | C17 | 64.2° | 64.6° |
| C21 | C20 | C25 | H4 | 37.0° | 65.2° |
| C21 | C20 | C25 | H5 | 82.3° | 54.8° |
| C20 | C21 | H7 | H8 | 119.8° | 119.9° |
| C20 | C21 | C22 | H9 | 33.2° | 60.0° |
| C20 | C21 | C22 | H10 | 86.1° | 60.0° |
| C21 | C20 | C18 | H20 | 177.6° | 175.4° |
| C20 | C25 | C26 | H4 | 120.4° | 120.0° |
| C20 | C25 | C26 | H5 | 120.4° | 120.0° |
| C25 | C20 | C18 | C19 | 63.8° | 64.6° |
| C25 | C20 | C18 | H6 | 118.8° | 120.0° |
| C25 | C20 | C18 | C17 | 172.8° | 175.4° |
| C20 | C25 | C26 | O33 | 158.6° | 174.8° |
| C20 | C25 | C26 | H2 | 81.4° | 54.8° |
| C20 | C25 | C26 | H3 | 38.6° | 65.3° |
| C20 | C25 | H4 | H5 | 118.9° | 120.0° |
| C25 | C20 | C21 | H7 | 38.2° | 175.0° |
| C25 | C20 | C21 | H8 | 158.1° | 55.1° |
| C25 | C20 | C18 | H20 | 54.6° | 55.3° |
| C26 | C25 | C20 | C18 | 79.2° | 65.1° |
| C25 | C26 | O33 | H2 | 120.0° | 120.0° |
| C25 | C26 | O33 | H3 | 120.0° | 120.0° |
| C25 | C26 | O33 | H1 | 180.0° | 180.0° |
| C25 | C26 | H2 | H3 | 120.0° | 120.0° |
| C26 | C25 | H4 | H5 | 118.9° | 120.0° |
| C26 | C25 | C20 | H6 | 39.6° | 54.9° |
| C19 | C18 | C20 | C17 | 123.4° | 120.0° |
| C19 | C18 | C20 | H20 | 118.4° | 120.0° |
| C19 | C18 | C17 | H20 | 118.1° | 120.0° |
| C19 | C18 | C17 | C13 | 54.0° | 65.9° |
| C19 | C18 | C17 | C16 | 172.4° | 178.5° |
| C19 | C18 | C20 | H6 | 177.3° | 175.4° |
| C18 | C19 | H21 | H22 | 120.0° | 120.0° |
| C18 | C19 | H21 | H23 | 120.0° | 120.0° |
| C18 | C19 | H22 | H23 | 120.0° | 120.0° |
| C19 | C18 | C17 | H24 | 66.7° | 56.3° |
| C20 | C18 | C17 | H20 | 118.2° | 120.0° |
| C20 | C18 | C17 | C13 | 177.6° | 174.2° |
| C20 | C18 | C17 | C16 | 64.0° | 58.5° |
| C18 | C20 | C25 | H4 | 160.4° | 54.9° |
| C18 | C20 | C25 | H5 | 41.1° | 174.9° |
| C18 | C20 | C21 | H7 | 85.8° | 54.9° |
| C18 | C20 | C21 | H8 | 34.0° | 65.0° |
| C20 | C18 | C19 | H21 | 180.0° | 180.0° |
| C20 | C18 | C19 | H22 | 60.0° | 60.0° |
| C20 | C18 | C19 | H23 | 60.0° | 60.0° |
| C20 | C18 | C17 | H24 | 56.9° | 63.6° |
| C18 | C17 | C13 | C12 | 81.2° | 92.3° |
| C18 | C17 | C13 | C16 | 123.9° | 118.9° |
| C18 | C17 | C13 | H24 | 120.6° | 122.1° |
| C18 | C17 | C16 | H24 | 121.0° | 122.1° |
| C18 | C17 | C13 | C14 | 162.9° | 149.1° |
| C18 | C17 | C13 | C34 | 44.9° | 33.0° |
| C18 | C17 | C16 | C15 | 143.9° | 122.9° |
| C17 | C18 | C20 | H6 | 54.0° | 55.4° |
| C17 | C18 | C19 | H21 | 56.5° | 60.0° |
| C17 | C18 | C19 | H22 | 176.6° | 180.0° |
| C17 | C18 | C19 | H23 | 63.4° | 60.0° |
| C18 | C17 | C16 | H37 | 96.5° | 117.9° |
| C18 | C17 | C16 | H38 | 24.3° | 3.7° |
| O33 | C26 | H2 | H3 | 120.0° | 120.0° |
| O33 | C26 | C25 | H4 | 38.2° | 65.2° |
| O33 | C26 | C25 | H5 | 81.1° | 54.8° |
| C11 | C12 | C13 | H28 | 120.0° | 119.5° |
| C11 | C12 | C13 | H29 | 120.0° | 119.5° |
| C11 | C12 | C13 | C17 | 175.9° | 175.6° |
| C12 | C11 | C10 | H30 | 120.7° | 120.6° |
| C12 | C11 | C10 | H31 | 120.7° | 120.6° |
| C11 | C12 | C13 | C14 | 63.7° | 68.0° |
| C11 | C12 | C13 | C34 | 58.2° | 50.1° |
| C12 | C11 | C10 | C9 | 42.2° | 48.6° |
| C11 | C12 | H28 | H29 | 120.0° | 121.0° |
| C12 | C11 | H30 | H31 | 117.8° | 118.8° |
| C12 | C11 | C10 | H32 | 162.5° | 168.9° |
| C12 | C11 | C10 | H33 | 78.1° | 71.7° |
| C12 | C13 | C17 | C14 | 116.0° | 118.6° |
| C12 | C13 | C17 | C34 | 126.1° | 125.3° |
| C12 | C13 | C17 | C16 | 154.9° | 148.9° |
| C13 | C12 | C11 | C10 | 52.5° | 59.1° |
| C12 | C13 | C14 | C34 | 121.5° | 118.0° |
| C12 | C13 | C14 | C15 | 165.3° | 171.4° |
| C12 | C13 | C14 | C9 | 65.7° | 66.5° |
| C12 | C13 | C17 | H24 | 39.4° | 29.9° |
| C12 | C13 | C34 | H25 | 180.0° | 62.7° |
| C12 | C13 | C34 | H26 | 60.0° | 57.3° |
| C12 | C13 | C34 | H27 | 60.0° | 177.2° |
| C13 | C12 | H28 | H29 | 119.9° | 121.0° |
| C13 | C12 | C11 | H30 | 68.2° | 61.5° |
| C13 | C12 | C11 | H31 | 173.2° | 179.7° |
| C12 | C13 | C14 | H34 | 50.8° | 53.9° |
| C13 | C17 | C16 | H24 | 115.6° | 119.0° |
| C17 | C13 | C14 | C34 | 117.1° | 116.2° |
| C13 | C17 | C16 | C15 | 20.4° | 4.0° |
| C17 | C13 | C14 | C15 | 43.9° | 45.5° |
| C17 | C13 | C14 | C9 | 172.9° | 167.6° |
| C13 | C17 | C18 | H20 | 64.2° | 54.1° |
| C17 | C13 | C34 | H25 | 51.3° | 67.9° |
| C17 | C13 | C34 | H26 | 68.7° | 172.1° |
| C17 | C13 | C34 | H27 | 171.3° | 52.2° |
| C17 | C13 | C12 | H28 | 55.8° | 56.1° |
| C17 | C13 | C12 | H29 | 64.1° | 64.9° |
| C17 | C13 | C14 | H34 | 70.6° | 71.9° |
| C13 | C17 | C16 | H37 | 140.0° | 123.2° |
| C13 | C17 | C16 | H38 | 99.2° | 115.2° |
| C16 | C17 | C13 | C14 | 38.9° | 30.2° |
| C16 | C17 | C13 | C34 | 79.0° | 85.8° |
| C17 | C16 | C15 | H37 | 119.6° | 119.2° |
| C17 | C16 | C15 | H38 | 119.6° | 119.2° |
| C17 | C16 | C15 | C14 | 6.3° | 24.1° |
| C16 | C17 | C18 | H20 | 54.2° | 61.5° |
| C17 | C16 | C15 | H35 | 125.4° | 94.1° |
| C17 | C16 | C15 | H36 | 112.7° | 142.6° |
| C17 | C16 | H37 | H38 | 121.1° | 121.5° |
| C11 | C10 | C9 | C14 | 45.4° | 50.2° |
| C11 | C10 | C9 | H32 | 120.3° | 120.4° |
| C11 | C10 | C9 | H33 | 120.3° | 120.3° |
| C11 | C10 | C9 | C8 | 134.2° | 129.8° |
| C10 | C11 | C12 | H28 | 67.5° | 178.6° |
| C10 | C11 | C12 | H29 | 172.5° | 60.4° |
| C10 | C11 | H30 | H31 | 117.9° | 118.9° |
| C11 | C10 | H32 | H33 | 119.1° | 119.4° |
| C13 | C14 | C15 | C16 | 31.2° | 42.2° |
| C13 | C14 | C15 | C9 | 121.6° | 114.0° |
| C13 | C14 | C15 | H34 | 114.6° | 117.6° |
| C13 | C14 | C9 | H34 | 116.3° | 120.3° |
| C13 | C14 | C9 | C10 | 57.8° | 58.1° |
| C13 | C14 | C9 | C8 | 121.8° | 121.9° |
| C14 | C13 | C17 | H24 | 76.6° | 88.8° |
| C14 | C13 | C34 | H25 | 60.1° | 179.9° |
| C14 | C13 | C34 | H26 | 179.9° | 59.9° |
| C14 | C13 | C34 | H27 | 59.9° | 60.1° |
| C14 | C13 | C12 | H28 | 56.3° | 172.5° |
| C14 | C13 | C12 | H29 | 176.3° | 51.5° |
| C13 | C14 | C15 | H35 | 150.3° | 76.1° |
| C13 | C14 | C15 | H36 | 87.9° | 160.8° |
| C34 | C13 | C14 | C15 | 73.2° | 70.6° |
| C34 | C13 | C14 | C9 | 55.8° | 51.4° |
| C34 | C13 | C17 | H24 | 165.5° | 155.2° |
| C13 | C34 | H25 | H26 | 120.0° | 120.0° |
| C13 | C34 | H25 | H27 | 120.0° | 120.0° |
| C13 | C34 | H26 | H27 | 120.0° | 120.0° |
| C34 | C13 | C12 | H28 | 178.3° | 69.4° |
| C34 | C13 | C12 | H29 | 61.8° | 169.6° |
| C34 | C13 | C14 | H34 | 172.3° | 171.9° |
| C16 | C15 | C14 | H35 | 119.1° | 118.3° |
| C16 | C15 | C14 | H36 | 119.0° | 118.5° |
| C16 | C15 | C14 | C9 | 152.8° | 156.2° |
| C15 | C16 | C17 | H24 | 95.1° | 115.0° |
| C16 | C15 | C14 | H34 | 83.5° | 75.4° |
| C16 | C15 | H35 | H36 | 122.7° | 123.4° |
| C15 | C16 | H37 | H38 | 121.2° | 121.6° |
| C15 | C14 | C9 | H34 | 123.6° | 128.2° |
| C15 | C14 | C9 | C10 | 177.9° | 169.6° |
| C15 | C14 | C9 | C8 | 1.7° | 10.3° |
| C14 | C15 | H35 | H36 | 122.7° | 123.2° |
| C14 | C15 | C16 | H37 | 113.3° | 95.1° |
| C14 | C15 | C16 | H38 | 125.9° | 143.3° |
| C14 | C9 | C10 | C8 | 179.6° | 180.0° |
| C14 | C9 | C8 | C7 | 179.5° | 180.0° |
| C14 | C9 | C10 | H32 | 165.8° | 170.6° |
| C14 | C9 | C10 | H33 | 74.8° | 70.1° |
| C9 | C14 | C15 | H35 | 88.1° | 37.9° |
| C9 | C14 | C15 | H36 | 33.8° | 85.2° |
| C14 | C9 | C8 | H39 | 0.4° | 0.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C10 | C11 | H30 | 78.5° | 72.0° |
| C9 | C10 | C11 | H31 | 162.9° | 169.2° |
| C9 | C10 | H32 | H33 | 119.1° | 119.3° |
| C10 | C9 | C14 | H34 | 58.5° | 62.2° |
| C10 | C9 | C8 | H39 | 180.0° | 180.0° |
| C9 | C8 | C7 | H39 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 150.0° | 174.6° |
| C8 | C9 | C10 | H32 | 13.8° | 9.4° |
| C8 | C9 | C10 | H33 | 105.5° | 109.9° |
| C8 | C9 | C14 | H34 | 121.9° | 117.8° |
| C9 | C8 | C7 | H40 | 30.0° | 5.4° |
| C8 | C7 | C6 | H40 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 179.3° | 174.0° |
| C8 | C7 | C6 | C1 | 0.4° | 5.8° |
| C7 | C6 | C5 | C1 | 179.7° | 179.7° |
| C7 | C6 | C5 | C4 | 136.7° | 124.7° |
| C7 | C6 | C1 | C2 | 140.6° | 124.8° |
| C6 | C7 | C8 | H39 | 30.0° | 5.4° |
| C7 | C6 | C5 | H41 | 102.8° | 115.5° |
| C7 | C6 | C5 | H42 | 16.3° | 4.9° |
| C7 | C6 | C1 | H49 | 20.1° | 5.0° |
| C7 | C6 | C1 | H50 | 98.9° | 115.6° |
| C6 | C5 | C4 | H41 | 120.5° | 119.8° |
| C6 | C5 | C4 | H42 | 120.4° | 119.8° |
| C5 | C6 | C1 | C2 | 39.7° | 55.0° |
| C6 | C5 | C4 | O31 | 72.3° | 70.3° |
| C6 | C5 | C4 | C3 | 47.1° | 49.5° |
| C5 | C6 | C7 | H40 | 0.7° | 6.0° |
| C6 | C5 | H41 | H42 | 118.7° | 120.4° |
| C6 | C5 | C4 | H43 | 167.2° | 169.2° |
| C5 | C6 | C1 | H49 | 160.3° | 174.7° |
| C5 | C6 | C1 | H50 | 80.7° | 64.7° |
| C1 | C6 | C5 | C4 | 43.6° | 55.0° |
| C6 | C1 | C2 | H49 | 120.5° | 119.9° |
| C6 | C1 | C2 | H50 | 120.5° | 119.8° |
| C6 | C1 | C2 | C3 | 40.1° | 49.2° |
| C6 | C1 | C2 | O32 | 162.3° | 169.0° |
| C1 | C6 | C7 | H40 | 179.6° | 174.2° |
| C1 | C6 | C5 | H41 | 76.9° | 64.7° |
| C1 | C6 | C5 | H42 | 164.0° | 174.8° |
| C6 | C1 | C2 | H47 | 79.0° | 70.6° |
| C6 | C1 | H49 | H50 | 118.4° | 120.5° |
| C5 | C4 | O31 | C3 | 120.3° | 119.2° |
| C5 | C4 | O31 | H43 | 119.7° | 120.5° |
| C5 | C4 | C3 | H43 | 119.9° | 119.7° |
| C5 | C4 | C3 | C2 | 53.6° | 55.3° |
| C5 | C4 | C3 | C33 | 126.4° | 124.7° |
| C4 | C5 | H41 | H42 | 118.6° | 120.4° |
| C5 | C4 | O31 | H44 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 50.3° | 55.1° |
| C1 | C2 | C3 | O32 | 121.8° | 119.9° |
| C1 | C2 | C3 | H47 | 119.0° | 119.8° |
| C1 | C2 | O32 | H47 | 117.9° | 120.5° |
| C1 | C2 | C3 | C33 | 129.7° | 124.8° |
| C1 | C2 | O32 | H48 | 180.0° | 179.3° |
| C2 | C1 | H49 | H50 | 118.4° | 120.1° |
| O31 | C4 | C3 | H43 | 120.6° | 120.5° |
| O31 | C4 | C3 | C2 | 65.9° | 64.5° |
| O31 | C4 | C3 | C33 | 114.1° | 115.5° |
| O31 | C4 | C5 | H41 | 167.3° | 169.9° |
| O31 | C4 | C5 | H42 | 48.2° | 49.5° |
| C4 | C3 | C2 | C33 | 180.0° | 180.0° |
| C4 | C3 | C2 | O32 | 172.1° | 175.0° |
| C3 | C4 | C5 | H41 | 73.4° | 70.3° |
| C3 | C4 | C5 | H42 | 167.5° | 169.3° |
| C3 | C4 | O31 | H44 | 59.7° | 60.8° |
| C4 | C3 | C33 | H45 | 180.0° | 0.1° |
| C4 | C3 | C33 | H46 | 0.0° | 179.9° |
| C4 | C3 | C2 | H47 | 68.6° | 64.7° |
| C3 | C2 | O32 | H47 | 118.6° | 120.3° |
| C2 | C3 | C4 | H43 | 173.5° | 175.0° |
| C2 | C3 | C33 | H45 | 0.0° | 179.9° |
| C2 | C3 | C33 | H46 | 180.0° | 0.1° |
| C3 | C2 | O32 | H48 | 56.5° | 60.0° |
| C3 | C2 | C1 | H49 | 160.6° | 169.1° |
| C3 | C2 | C1 | H50 | 80.4° | 70.6° |
| O32 | C2 | C3 | C33 | 7.9° | 4.9° |
| O32 | C2 | C1 | H49 | 77.2° | 71.1° |
| O32 | C2 | C1 | H50 | 41.8° | 49.2° |
| C33 | C3 | C4 | H43 | 6.5° | 5.0° |
| C3 | C33 | H45 | H46 | 180.0° | 179.8° |
| C33 | C3 | C2 | H47 | 111.4° | 115.3° |
| H1 | O33 | C26 | H2 | 60.0° | 60.0° |
| H1 | O33 | C26 | H3 | 60.0° | 60.0° |
| H2 | C26 | C25 | H4 | 158.2° | 174.7° |
| H2 | C26 | C25 | H5 | 38.9° | 65.3° |
| H3 | C26 | C25 | H4 | 81.8° | 54.7° |
| H3 | C26 | C25 | H5 | 158.9° | 174.7° |
| H4 | C25 | C20 | H6 | 80.7° | 174.9° |
| H5 | C25 | C20 | H6 | 159.9° | 65.1° |
| H6 | C20 | C21 | H7 | 156.0° | 65.0° |
| H6 | C20 | C21 | H8 | 84.2° | 175.0° |
| H6 | C20 | C18 | H20 | 64.3° | 64.7° |
| H7 | C21 | C22 | H9 | 153.3° | 180.0° |
| H7 | C21 | C22 | H10 | 33.9° | 60.0° |
| H8 | C21 | C22 | H9 | 86.9° | 60.0° |
| H8 | C21 | C22 | H10 | 153.8° | 180.0° |
| H9 | C22 | C23 | H11 | 139.9° | 180.0° |
| H9 | C22 | C23 | H12 | 20.3° | 60.0° |
| H10 | C22 | C23 | H11 | 100.8° | 60.0° |
| H10 | C22 | C23 | H12 | 139.6° | 180.0° |
| H11 | C23 | C24 | H13 | 90.7° | 180.0° |
| H11 | C23 | C24 | H14 | 28.9° | 60.0° |
| H12 | C23 | C24 | H13 | 149.7° | 60.0° |
| H12 | C23 | C24 | H14 | 90.7° | 180.0° |
| H13 | C24 | C31 | H15 | 33.9° | 180.0° |
| H13 | C24 | C31 | H16 | 85.7° | 60.0° |
| H14 | C24 | C31 | H15 | 85.7° | 60.0° |
| H14 | C24 | C31 | H16 | 154.7° | 180.0° |
| H15 | C31 | C32 | H17 | 59.8° | 60.0° |
| H15 | C31 | C32 | H18 | 179.9° | 60.0° |
| H15 | C31 | C32 | H19 | 60.2° | 180.0° |
| H16 | C31 | C32 | H17 | 59.8° | 180.0° |
| H16 | C31 | C32 | H18 | 60.2° | 60.0° |
| H16 | C31 | C32 | H19 | 179.8° | 60.0° |
| H17 | C32 | H18 | H19 | 120.0° | 120.0° |
| H20 | C18 | C19 | H21 | 61.6° | 60.0° |
| H20 | C18 | C19 | H22 | 58.4° | 60.0° |
| H20 | C18 | C19 | H23 | 178.4° | 180.0° |
| H20 | C18 | C17 | H24 | 175.2° | 176.3° |
| H21 | C19 | H22 | H23 | 119.9° | 120.0° |
| H24 | C17 | C16 | H37 | 24.5° | 4.2° |
| H24 | C17 | C16 | H38 | 145.2° | 125.8° |
| H25 | C34 | H26 | H27 | 120.0° | 120.0° |
| H28 | C12 | C11 | H30 | 171.8° | 58.0° |
| H28 | C12 | C11 | H31 | 53.2° | 60.8° |
| H29 | C12 | C11 | H30 | 51.8° | 179.0° |
| H29 | C12 | C11 | H31 | 66.8° | 60.2° |
| H30 | C11 | C10 | H32 | 41.9° | 48.3° |
| H30 | C11 | C10 | H33 | 161.3° | 167.7° |
| H31 | C11 | C10 | H32 | 76.8° | 70.5° |
| H31 | C11 | C10 | H33 | 42.6° | 48.9° |
| H34 | C14 | C15 | H35 | 35.6° | 166.3° |
| H34 | C14 | C15 | H36 | 157.5° | 43.1° |
| H35 | C15 | C16 | H37 | 5.8° | 146.6° |
| H35 | C15 | C16 | H38 | 115.0° | 25.0° |
| H36 | C15 | C16 | H37 | 127.7° | 23.4° |
| H36 | C15 | C16 | H38 | 6.9° | 98.3° |
| H39 | C8 | C7 | H40 | 150.0° | 174.6° |
| H41 | C5 | C4 | H43 | 46.7° | 49.4° |
| H42 | C5 | C4 | H43 | 72.4° | 71.1° |
| H43 | C4 | O31 | H44 | 60.3° | 59.6° |
| H47 | C2 | O32 | H48 | 62.2° | 60.2° |
| H47 | C2 | C1 | H49 | 41.5° | 49.3° |
| H47 | C2 | C1 | H50 | 160.5° | 169.6° |
