YA1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C2 | doub | 1.31Å | 1.28Å | |
| O1 | C1 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O2 | sing | 1.43Å | 1.45Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C10 | doub | 1.33Å | 1.33Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.47Å | 1.48Å | |
| C23 | C16 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | doub | 1.33Å | 1.35Å | |
| C33 | C32 | sing | 1.53Å | 1.49Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.52Å | 1.51Å | |
| C12 | C17 | sing | 1.50Å | 1.48Å | |
| C14 | C13 | sing | 1.53Å | 1.58Å | |
| C14 | C15 | sing | 1.54Å | 1.52Å | |
| C16 | C17 | sing | 1.55Å | 1.52Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C20 | sing | 1.52Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C21 | C24 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.55Å | 1.50Å | |
| C31 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C29 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | O3 | sing | 1.43Å | 1.44Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | 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 | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| O3 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C2 | C1 | 124.9° | 120.6° |
| C9 | C2 | C3 | 117.4° | 120.6° |
| C2 | C9 | H3 | 120.0° | 120.0° |
| C2 | C9 | H4 | 120.0° | 120.0° |
| O1 | C1 | C2 | 110.5° | 109.6° |
| O1 | C1 | C6 | 110.8° | 109.6° |
| O1 | C1 | H5 | 108.6° | 109.7° |
| C1 | O1 | H6 | 109.5° | 114.0° |
| C1 | C2 | C3 | 117.5° | 118.8° |
| C2 | C1 | C6 | 110.6° | 108.6° |
| C2 | C1 | H5 | 108.3° | 109.6° |
| C2 | C3 | C4 | 107.8° | 108.6° |
| C2 | C3 | O2 | 107.8° | 109.6° |
| C2 | C3 | H2 | 109.4° | 109.8° |
| C1 | C6 | C5 | 114.6° | 108.6° |
| C6 | C1 | H5 | 107.9° | 109.6° |
| C1 | C6 | H7 | 108.2° | 109.6° |
| C1 | C6 | H8 | 108.2° | 109.6° |
| C4 | C3 | O2 | 112.2° | 109.6° |
| C3 | C4 | C5 | 111.6° | 108.6° |
| C4 | C3 | H2 | 109.3° | 109.6° |
| C3 | C4 | H9 | 108.9° | 109.5° |
| C3 | C4 | H10 | 108.9° | 109.7° |
| C3 | O2 | H1 | 109.5° | 114.0° |
| O2 | C3 | H2 | 110.3° | 109.6° |
| C6 | C5 | C4 | 119.4° | 118.8° |
| C6 | C5 | C10 | 122.1° | 120.6° |
| C5 | C6 | H7 | 108.2° | 109.6° |
| C5 | C6 | H8 | 108.2° | 109.7° |
| C4 | C5 | C10 | 118.3° | 120.6° |
| C5 | C4 | H9 | 108.9° | 109.6° |
| C5 | C4 | H10 | 108.9° | 109.6° |
| C5 | C10 | C11 | 123.8° | 120.0° |
| C5 | C10 | H11 | 118.1° | 120.0° |
| C34 | C33 | C32 | 112.2° | 109.5° |
| C34 | C33 | H37 | 108.8° | 109.5° |
| C34 | C33 | H38 | 108.8° | 109.4° |
| C33 | C34 | H39 | 109.5° | 109.5° |
| C33 | C34 | H40 | 109.5° | 109.4° |
| C33 | C34 | H41 | 109.4° | 109.5° |
| C10 | C11 | C12 | 121.0° | 120.0° |
| C11 | C10 | H11 | 118.1° | 120.0° |
| C10 | C11 | H12 | 119.5° | 120.0° |
| C23 | C16 | C17 | 111.7° | 109.2° |
| C23 | C16 | C15 | 107.8° | 109.1° |
| C23 | C16 | C20 | 111.5° | 108.8° |
| C16 | C23 | H20 | 109.5° | 109.4° |
| C16 | C23 | H21 | 109.5° | 109.4° |
| C16 | C23 | H22 | 109.5° | 109.5° |
| C11 | C12 | C13 | 124.2° | 122.4° |
| C11 | C12 | C17 | 121.1° | 122.4° |
| C12 | C11 | H12 | 119.5° | 120.0° |
| C33 | C32 | C31 | 109.3° | 109.5° |
| C33 | C32 | H35 | 109.5° | 109.5° |
| C33 | C32 | H36 | 109.5° | 109.5° |
| C32 | C33 | H37 | 108.8° | 109.5° |
| C32 | C33 | H38 | 108.8° | 109.5° |
| C32 | C31 | C24 | 111.9° | 109.5° |
| C32 | C31 | H33 | 108.9° | 109.5° |
| C32 | C31 | H34 | 108.9° | 109.5° |
| C31 | C32 | H35 | 109.5° | 109.4° |
| C31 | C32 | H36 | 109.5° | 109.5° |
| C13 | C12 | C17 | 114.7° | 115.2° |
| C12 | C13 | C14 | 111.1° | 110.7° |
| C12 | C13 | H13 | 109.1° | 109.2° |
| C12 | C13 | H14 | 109.1° | 109.3° |
| C12 | C17 | C16 | 110.6° | 105.8° |
| C12 | C17 | C18 | 121.1° | 116.7° |
| C12 | C17 | H19 | 106.3° | 110.7° |
| C13 | C14 | C15 | 114.4° | 111.8° |
| C14 | C13 | H13 | 109.1° | 109.2° |
| C14 | C13 | H14 | 109.1° | 109.2° |
| C13 | C14 | H15 | 108.2° | 109.0° |
| C13 | C14 | H16 | 108.2° | 109.0° |
| C14 | C15 | C16 | 111.1° | 107.6° |
| C15 | C14 | H15 | 108.2° | 109.0° |
| C15 | C14 | H16 | 108.2° | 109.0° |
| C14 | C15 | H17 | 109.1° | 109.8° |
| C14 | C15 | H18 | 109.1° | 109.9° |
| C17 | C16 | C15 | 109.3° | 107.7° |
| C17 | C16 | C20 | 101.2° | 103.2° |
| C16 | C17 | C18 | 105.7° | 101.6° |
| C16 | C17 | H19 | 106.0° | 110.8° |
| C15 | C16 | C20 | 115.3° | 118.5° |
| C16 | C15 | H17 | 109.1° | 109.8° |
| C16 | C15 | H18 | 109.1° | 109.9° |
| C16 | C20 | C21 | 115.1° | 110.3° |
| C16 | C20 | C19 | 104.5° | 105.1° |
| C16 | C20 | H27 | 107.6° | 110.3° |
| C17 | C18 | C19 | 102.4° | 102.8° |
| C18 | C17 | H19 | 106.2° | 110.7° |
| C17 | C18 | H23 | 111.2° | 110.7° |
| C17 | C18 | H24 | 111.2° | 110.8° |
| C18 | C19 | C20 | 108.6° | 106.3° |
| C19 | C18 | H23 | 111.2° | 110.8° |
| C19 | C18 | H24 | 111.2° | 110.7° |
| C18 | C19 | H25 | 109.7° | 110.1° |
| C18 | C19 | H26 | 109.7° | 110.1° |
| C22 | C21 | C20 | 112.8° | 109.4° |
| C22 | C21 | C24 | 110.2° | 109.5° |
| C22 | C21 | H28 | 107.2° | 109.4° |
| C21 | C22 | H29 | 109.5° | 109.4° |
| C21 | C22 | H30 | 109.4° | 109.5° |
| C21 | C22 | H31 | 109.5° | 109.4° |
| C20 | C21 | C24 | 112.0° | 109.5° |
| C21 | C20 | C19 | 113.6° | 110.2° |
| C21 | C20 | H27 | 107.6° | 110.4° |
| C20 | C21 | H28 | 107.0° | 109.5° |
| C21 | C24 | C31 | 111.3° | 109.4° |
| C21 | C24 | C25 | 112.8° | 109.5° |
| C24 | C21 | H28 | 107.5° | 109.5° |
| C21 | C24 | H32 | 108.6° | 109.4° |
| C20 | C19 | H25 | 109.7° | 110.6° |
| C20 | C19 | H26 | 109.7° | 109.5° |
| C19 | C20 | H27 | 108.2° | 110.3° |
| C31 | C24 | C25 | 107.4° | 109.5° |
| C31 | C24 | H32 | 108.1° | 109.4° |
| C24 | C31 | H33 | 108.8° | 109.5° |
| C24 | C31 | H34 | 108.8° | 109.5° |
| C24 | C25 | C26 | 110.8° | 109.5° |
| C25 | C24 | H32 | 108.4° | 109.5° |
| C24 | C25 | H42 | 109.1° | 109.5° |
| C24 | C25 | H43 | 109.2° | 109.5° |
| C25 | C26 | C27 | 116.1° | 109.5° |
| C26 | C25 | H42 | 109.1° | 109.5° |
| C26 | C25 | H43 | 109.1° | 109.4° |
| C25 | C26 | H44 | 107.8° | 109.5° |
| C25 | C26 | H45 | 107.8° | 109.5° |
| C26 | C27 | C29 | 110.1° | 109.5° |
| C26 | C27 | C28 | 110.1° | 109.5° |
| C26 | C27 | O3 | 108.2° | 109.5° |
| C27 | C26 | H44 | 107.8° | 109.4° |
| C27 | C26 | H45 | 107.8° | 109.5° |
| C29 | C27 | C28 | 112.2° | 109.5° |
| C29 | C27 | O3 | 106.6° | 109.4° |
| C27 | C29 | H46 | 109.5° | 109.4° |
| C27 | C29 | H47 | 109.5° | 109.5° |
| C27 | C29 | H48 | 109.4° | 109.5° |
| C28 | C27 | O3 | 109.6° | 109.5° |
| C27 | C28 | H49 | 109.5° | 109.4° |
| C27 | C28 | H50 | 109.5° | 109.5° |
| C27 | C28 | H51 | 109.5° | 109.4° |
| C27 | O3 | H52 | 109.5° | 114.0° |
| H3 | C9 | H4 | 120.0° | 120.0° |
| H7 | C6 | H8 | 109.5° | 109.7° |
| H9 | C4 | H10 | 109.4° | 109.8° |
| H13 | C13 | H14 | 109.5° | 109.2° |
| H15 | C14 | H16 | 109.5° | 108.9° |
| H17 | C15 | H18 | 109.4° | 109.8° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.5° | 110.8° |
| H25 | C19 | H26 | 109.5° | 110.1° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H31 | 109.5° | 109.4° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.4° |
| H35 | C32 | H36 | 109.5° | 109.5° |
| H37 | C33 | H38 | 109.5° | 109.4° |
| H39 | C34 | H40 | 109.4° | 109.4° |
| H39 | C34 | H41 | 109.5° | 109.5° |
| H40 | C34 | H41 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.4° | 109.4° |
| H44 | C26 | H45 | 109.4° | 109.5° |
| H46 | C29 | H47 | 109.5° | 109.5° |
| H46 | C29 | H48 | 109.5° | 109.4° |
| H47 | C29 | H48 | 109.5° | 109.5° |
| H49 | C28 | H50 | 109.5° | 109.5° |
| H49 | C28 | H51 | 109.4° | 109.5° |
| H50 | C28 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C2 | C1 | O1 | 7.4° | 115.5° |
| C9 | C2 | C1 | C3 | 175.0° | 179.9° |
| C9 | C2 | C1 | C6 | 130.5° | 124.8° |
| C9 | C2 | C3 | C4 | 124.2° | 124.8° |
| C9 | C2 | C3 | O2 | 114.5° | 5.0° |
| C9 | C2 | C3 | H2 | 5.4° | 115.4° |
| C2 | C9 | H3 | H4 | 180.0° | 180.0° |
| C9 | C2 | C1 | H5 | 111.5° | 5.0° |
| O1 | C1 | C2 | C6 | 123.1° | 119.7° |
| O1 | C1 | C2 | H5 | 118.9° | 120.5° |
| O1 | C1 | C2 | C3 | 177.6° | 64.4° |
| O1 | C1 | C6 | H5 | 118.8° | 120.5° |
| O1 | C1 | C6 | C5 | 161.7° | 70.3° |
| O1 | C1 | C6 | H7 | 41.0° | 49.4° |
| O1 | C1 | C6 | H8 | 77.5° | 169.9° |
| C2 | C1 | C6 | H5 | 118.3° | 119.7° |
| C1 | C2 | C3 | C4 | 60.4° | 55.3° |
| C1 | C2 | C3 | O2 | 60.9° | 175.0° |
| C2 | C1 | C6 | C5 | 38.8° | 49.5° |
| C1 | C2 | C3 | H2 | 179.2° | 64.5° |
| C1 | C2 | C9 | H3 | 175.0° | 0.0° |
| C1 | C2 | C9 | H4 | 5.0° | 180.0° |
| C2 | C1 | O1 | H6 | 180.0° | 60.0° |
| C2 | C1 | C6 | H7 | 82.0° | 169.2° |
| C2 | C1 | C6 | H8 | 159.6° | 70.3° |
| C3 | C2 | C1 | C6 | 54.5° | 55.3° |
| C2 | C3 | C4 | O2 | 118.6° | 119.8° |
| C2 | C3 | C4 | H2 | 118.8° | 119.9° |
| C2 | C3 | O2 | H2 | 119.4° | 120.6° |
| C2 | C3 | C4 | C5 | 49.9° | 49.4° |
| C2 | C3 | O2 | H1 | 180.0° | 60.9° |
| C3 | C2 | C9 | H3 | 0.0° | 180.0° |
| C3 | C2 | C9 | H4 | 180.0° | 0.0° |
| C3 | C2 | C1 | H5 | 63.6° | 175.0° |
| C2 | C3 | C4 | H9 | 170.2° | 70.3° |
| C2 | C3 | C4 | H10 | 70.5° | 169.2° |
| C1 | C6 | C5 | H7 | 120.8° | 119.7° |
| C1 | C6 | C5 | H8 | 120.7° | 119.8° |
| C1 | C6 | C5 | C4 | 35.9° | 55.3° |
| C1 | C6 | C5 | C10 | 149.4° | 124.6° |
| C6 | C1 | O1 | H6 | 57.0° | 179.0° |
| C1 | C6 | H7 | H8 | 117.6° | 120.4° |
| C4 | C3 | O2 | H2 | 122.1° | 120.3° |
| C3 | C4 | C5 | C6 | 41.9° | 55.2° |
| C3 | C4 | C5 | H9 | 120.3° | 119.6° |
| C3 | C4 | C5 | H10 | 120.3° | 119.8° |
| C3 | C4 | C5 | C10 | 143.2° | 124.7° |
| C4 | C3 | O2 | H1 | 61.5° | 180.0° |
| C3 | C4 | H9 | H10 | 119.0° | 120.5° |
| O2 | C3 | C4 | C5 | 68.7° | 169.2° |
| O2 | C3 | C4 | H9 | 51.6° | 49.5° |
| O2 | C3 | C4 | H10 | 171.0° | 71.0° |
| C6 | C5 | C4 | C10 | 174.8° | 179.9° |
| C6 | C5 | C10 | C11 | 3.2° | 173.9° |
| C5 | C6 | C1 | H5 | 79.5° | 169.2° |
| C5 | C6 | H7 | H8 | 117.7° | 120.5° |
| C6 | C5 | C4 | H9 | 162.3° | 64.4° |
| C6 | C5 | C4 | H10 | 78.4° | 175.0° |
| C6 | C5 | C10 | H11 | 176.8° | 6.0° |
| C4 | C5 | C10 | C11 | 177.8° | 6.2° |
| C5 | C4 | C3 | H2 | 168.7° | 70.5° |
| C4 | C5 | C6 | H7 | 84.8° | 174.9° |
| C4 | C5 | C6 | H8 | 156.7° | 64.5° |
| C5 | C4 | H9 | H10 | 119.0° | 120.4° |
| C4 | C5 | C10 | H11 | 2.1° | 173.9° |
| C5 | C10 | C11 | H11 | 180.0° | 179.9° |
| C5 | C10 | C11 | C12 | 155.4° | 174.8° |
| C10 | C5 | C6 | H7 | 89.8° | 4.9° |
| C10 | C5 | C6 | H8 | 28.7° | 115.6° |
| C10 | C5 | C4 | H9 | 22.9° | 115.7° |
| C10 | C5 | C4 | H10 | 96.4° | 4.9° |
| C5 | C10 | C11 | H12 | 24.6° | 5.4° |
| C34 | C33 | C32 | H37 | 120.4° | 120.1° |
| C34 | C33 | C32 | H38 | 120.4° | 120.0° |
| C34 | C33 | C32 | C31 | 156.6° | 179.9° |
| C34 | C33 | C32 | H35 | 83.5° | 60.0° |
| C34 | C33 | C32 | H36 | 36.7° | 60.0° |
| C34 | C33 | H37 | H38 | 118.7° | 120.0° |
| C33 | C34 | H39 | H40 | 120.0° | 119.9° |
| C33 | C34 | H39 | H41 | 120.0° | 120.1° |
| C33 | C34 | H40 | H41 | 120.0° | 120.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.0° | 0.1° |
| C10 | C11 | C12 | C17 | 176.9° | 179.7° |
| C23 | C16 | C17 | C12 | 56.9° | 52.0° |
| C23 | C16 | C15 | C14 | 62.9° | 50.4° |
| C23 | C16 | C17 | C15 | 119.2° | 118.3° |
| C23 | C16 | C17 | C20 | 118.8° | 115.6° |
| C23 | C16 | C15 | C20 | 125.3° | 125.2° |
| C23 | C16 | C17 | C18 | 75.9° | 70.4° |
| C23 | C16 | C20 | C21 | 39.2° | 33.2° |
| C23 | C16 | C20 | C19 | 86.1° | 85.6° |
| C23 | C16 | C15 | H17 | 176.8° | 169.9° |
| C23 | C16 | C15 | H18 | 57.4° | 69.2° |
| C23 | C16 | C17 | H19 | 171.7° | 172.0° |
| C16 | C23 | H20 | H21 | 120.0° | 119.9° |
| C16 | C23 | H20 | H22 | 120.0° | 120.0° |
| C16 | C23 | H21 | H22 | 120.0° | 120.0° |
| C23 | C16 | C20 | H27 | 159.1° | 155.5° |
| C11 | C12 | C13 | C17 | 178.1° | 179.7° |
| C11 | C12 | C13 | C14 | 131.9° | 129.7° |
| C11 | C12 | C17 | C16 | 120.8° | 121.8° |
| C11 | C12 | C17 | C18 | 3.6° | 9.7° |
| C12 | C11 | C10 | H11 | 24.6° | 5.1° |
| C11 | C12 | C13 | H13 | 107.9° | 110.0° |
| C11 | C12 | C13 | H14 | 11.7° | 9.4° |
| C11 | C12 | C17 | H19 | 124.6° | 118.1° |
| C33 | C32 | C31 | H35 | 119.9° | 120.0° |
| C33 | C32 | C31 | H36 | 119.9° | 120.0° |
| C33 | C32 | C31 | C24 | 74.8° | 175.4° |
| C33 | C32 | C31 | H33 | 164.9° | 64.6° |
| C33 | C32 | C31 | H34 | 45.6° | 55.3° |
| C33 | C32 | H35 | H36 | 120.1° | 120.0° |
| C32 | C33 | H37 | H38 | 118.7° | 120.0° |
| C32 | C33 | C34 | H39 | 180.0° | 60.0° |
| C32 | C33 | C34 | H40 | 60.0° | 60.0° |
| C32 | C33 | C34 | H41 | 60.0° | 180.0° |
| C32 | C31 | C24 | C21 | 55.9° | 65.2° |
| C32 | C31 | C24 | H33 | 120.4° | 120.0° |
| C32 | C31 | C24 | H34 | 120.4° | 120.0° |
| C32 | C31 | C24 | C25 | 179.8° | 174.8° |
| C32 | C31 | C24 | H32 | 63.3° | 54.8° |
| C32 | C31 | H33 | H34 | 118.9° | 120.0° |
| C31 | C32 | H35 | H36 | 120.1° | 120.0° |
| C31 | C32 | C33 | H37 | 36.2° | 60.0° |
| C31 | C32 | C33 | H38 | 83.0° | 60.0° |
| C12 | C13 | C14 | H13 | 120.3° | 120.3° |
| C12 | C13 | C14 | H14 | 120.2° | 120.3° |
| C12 | C13 | C14 | C15 | 42.4° | 48.6° |
| C13 | C12 | C17 | C16 | 57.4° | 57.9° |
| C13 | C12 | C17 | C18 | 178.2° | 170.0° |
| C13 | C12 | C11 | H12 | 179.0° | 179.9° |
| C12 | C13 | H13 | H14 | 119.3° | 119.4° |
| C12 | C13 | C14 | H15 | 163.1° | 169.2° |
| C12 | C13 | C14 | H16 | 78.3° | 72.0° |
| C13 | C12 | C17 | H19 | 57.3° | 62.2° |
| C17 | C12 | C13 | C14 | 46.2° | 50.0° |
| C12 | C17 | C16 | C18 | 132.8° | 122.3° |
| C12 | C17 | C16 | H19 | 114.8° | 120.0° |
| C12 | C17 | C16 | C15 | 62.4° | 66.3° |
| C12 | C17 | C16 | C20 | 175.6° | 167.6° |
| C12 | C17 | C18 | H19 | 121.1° | 127.8° |
| C12 | C17 | C18 | C19 | 161.8° | 156.3° |
| C17 | C12 | C11 | H12 | 3.1° | 0.4° |
| C17 | C12 | C13 | H13 | 74.0° | 70.4° |
| C17 | C12 | C13 | H14 | 166.4° | 170.3° |
| C12 | C17 | C18 | H23 | 43.0° | 37.9° |
| C12 | C17 | C18 | H24 | 79.3° | 85.5° |
| C13 | C14 | C15 | H15 | 120.7° | 120.6° |
| C13 | C14 | C15 | H16 | 120.7° | 120.6° |
| C13 | C14 | C15 | C16 | 49.8° | 59.0° |
| C14 | C13 | H13 | H14 | 119.2° | 119.4° |
| C13 | C14 | H15 | H16 | 117.7° | 118.9° |
| C13 | C14 | C15 | H17 | 70.4° | 60.4° |
| C13 | C14 | C15 | H18 | 170.1° | 178.7° |
| C14 | C15 | C16 | C17 | 58.7° | 67.9° |
| C14 | C15 | C16 | H17 | 120.3° | 119.5° |
| C14 | C15 | C16 | H18 | 120.3° | 119.6° |
| C14 | C15 | C16 | C20 | 171.8° | 175.6° |
| C15 | C14 | C13 | H13 | 77.8° | 71.7° |
| C15 | C14 | C13 | H14 | 162.7° | 168.9° |
| C15 | C14 | H15 | H16 | 117.8° | 118.9° |
| C14 | C15 | H17 | H18 | 119.2° | 120.9° |
| C17 | C16 | C15 | C20 | 113.1° | 116.5° |
| C16 | C17 | C18 | H19 | 112.3° | 117.7° |
| C16 | C17 | C18 | C19 | 35.2° | 41.8° |
| C17 | C16 | C20 | C21 | 158.1° | 149.1° |
| C17 | C16 | C20 | C19 | 32.8° | 30.3° |
| C17 | C16 | C15 | H17 | 61.5° | 51.5° |
| C17 | C16 | C15 | H18 | 179.0° | 172.5° |
| C17 | C16 | C23 | H20 | 180.0° | 64.9° |
| C17 | C16 | C23 | H21 | 60.0° | 175.2° |
| C17 | C16 | C23 | H22 | 60.0° | 55.2° |
| C16 | C17 | C18 | H23 | 83.7° | 76.6° |
| C16 | C17 | C18 | H24 | 154.0° | 160.1° |
| C17 | C16 | C20 | H27 | 82.0° | 88.7° |
| C15 | C16 | C17 | C18 | 164.9° | 171.4° |
| C15 | C16 | C20 | C21 | 84.2° | 92.1° |
| C15 | C16 | C20 | C19 | 150.6° | 149.1° |
| C16 | C15 | C14 | H15 | 170.5° | 179.7° |
| C16 | C15 | C14 | H16 | 70.9° | 61.6° |
| C16 | C15 | H17 | H18 | 119.3° | 121.0° |
| C15 | C16 | C17 | H19 | 52.5° | 53.7° |
| C15 | C16 | C23 | H20 | 60.0° | 177.7° |
| C15 | C16 | C23 | H21 | 60.1° | 57.8° |
| C15 | C16 | C23 | H22 | 180.0° | 62.3° |
| C15 | C16 | C20 | H27 | 35.7° | 30.2° |
| C20 | C16 | C17 | C18 | 42.9° | 45.3° |
| C16 | C20 | C19 | C18 | 12.2° | 4.4° |
| C16 | C20 | C21 | C22 | 50.0° | 65.9° |
| C16 | C20 | C21 | C19 | 120.4° | 115.6° |
| C16 | C20 | C21 | H27 | 119.9° | 122.2° |
| C16 | C20 | C21 | C24 | 174.9° | 174.1° |
| C16 | C20 | C19 | H27 | 114.4° | 119.0° |
| C20 | C16 | C15 | H17 | 51.6° | 64.9° |
| C20 | C16 | C15 | H18 | 67.9° | 56.0° |
| C20 | C16 | C17 | H19 | 69.5° | 72.4° |
| C20 | C16 | C23 | H20 | 67.5° | 47.1° |
| C20 | C16 | C23 | H21 | 172.4° | 72.8° |
| C20 | C16 | C23 | H22 | 52.5° | 167.1° |
| C16 | C20 | C19 | H25 | 107.7° | 115.1° |
| C16 | C20 | C19 | H26 | 132.0° | 123.3° |
| C16 | C20 | C21 | H28 | 67.6° | 54.0° |
| C17 | C18 | C19 | H23 | 118.8° | 118.3° |
| C17 | C18 | C19 | H24 | 118.8° | 118.3° |
| C17 | C18 | C19 | C20 | 13.7° | 23.5° |
| C17 | C18 | H23 | H24 | 123.3° | 123.4° |
| C17 | C18 | C19 | H25 | 133.5° | 143.3° |
| C17 | C18 | C19 | H26 | 106.2° | 95.1° |
| C18 | C19 | C20 | C21 | 138.4° | 123.3° |
| C18 | C19 | C20 | H25 | 119.9° | 119.5° |
| C18 | C19 | C20 | H26 | 119.9° | 118.9° |
| C19 | C18 | C17 | H19 | 77.1° | 76.0° |
| C19 | C18 | H23 | H24 | 123.3° | 123.3° |
| C18 | C19 | H25 | H26 | 120.4° | 121.6° |
| C18 | C19 | C20 | H27 | 102.2° | 114.6° |
| C22 | C21 | C20 | C24 | 124.9° | 120.0° |
| C22 | C21 | C20 | H28 | 117.6° | 119.9° |
| C22 | C21 | C24 | H28 | 116.4° | 120.0° |
| C22 | C21 | C20 | C19 | 170.4° | 178.5° |
| C22 | C21 | C24 | C31 | 51.7° | 65.3° |
| C22 | C21 | C24 | C25 | 69.2° | 54.7° |
| C22 | C21 | C20 | H27 | 69.9° | 56.3° |
| C21 | C22 | H29 | H30 | 120.0° | 120.0° |
| C21 | C22 | H29 | H31 | 120.0° | 119.9° |
| C21 | C22 | H30 | H31 | 120.0° | 120.0° |
| C22 | C21 | C24 | H32 | 170.6° | 174.7° |
| C20 | C21 | C24 | H28 | 117.2° | 120.0° |
| C21 | C20 | C19 | H27 | 119.4° | 122.2° |
| C20 | C21 | C24 | C31 | 178.0° | 174.7° |
| C20 | C21 | C24 | C25 | 57.2° | 65.2° |
| C21 | C20 | C19 | H25 | 18.5° | 3.8° |
| C21 | C20 | C19 | H26 | 101.8° | 117.8° |
| C20 | C21 | C22 | H29 | 180.0° | 54.6° |
| C20 | C21 | C22 | H30 | 60.0° | 65.5° |
| C20 | C21 | C22 | H31 | 60.0° | 174.5° |
| C20 | C21 | C24 | H32 | 63.0° | 54.8° |
| C24 | C21 | C20 | C19 | 64.7° | 58.5° |
| C21 | C24 | C31 | C25 | 123.9° | 120.0° |
| C21 | C24 | C31 | H32 | 119.2° | 119.9° |
| C21 | C24 | C25 | H32 | 120.3° | 120.0° |
| C21 | C24 | C25 | C26 | 179.4° | 175.0° |
| C24 | C21 | C20 | H27 | 55.0° | 63.7° |
| C24 | C21 | C22 | H29 | 54.1° | 65.4° |
| C24 | C21 | C22 | H30 | 65.9° | 174.5° |
| C24 | C21 | C22 | H31 | 174.1° | 54.5° |
| C21 | C24 | C31 | H33 | 64.5° | 174.8° |
| C21 | C24 | C31 | H34 | 176.3° | 54.9° |
| C21 | C24 | C25 | H42 | 60.4° | 55.0° |
| C21 | C24 | C25 | H43 | 59.2° | 65.0° |
| C20 | C19 | C18 | H23 | 105.2° | 94.9° |
| C20 | C19 | C18 | H24 | 132.5° | 141.8° |
| C20 | C19 | H25 | H26 | 120.4° | 121.2° |
| C19 | C20 | C21 | H28 | 52.8° | 61.6° |
| C31 | C24 | C25 | H32 | 116.6° | 120.0° |
| C31 | C24 | C25 | C26 | 56.3° | 65.0° |
| C31 | C24 | C21 | H28 | 64.8° | 54.7° |
| C24 | C31 | H33 | H34 | 118.8° | 119.9° |
| C24 | C31 | C32 | H35 | 45.2° | 55.3° |
| C24 | C31 | C32 | H36 | 165.3° | 64.6° |
| C31 | C24 | C25 | H42 | 176.5° | 175.0° |
| C31 | C24 | C25 | H43 | 63.9° | 55.0° |
| C24 | C25 | C26 | H42 | 120.2° | 120.0° |
| C24 | C25 | C26 | H43 | 120.2° | 120.0° |
| C24 | C25 | C26 | C27 | 164.6° | 180.0° |
| C25 | C24 | C21 | H28 | 174.4° | 174.7° |
| C25 | C24 | C31 | H33 | 59.4° | 54.7° |
| C25 | C24 | C31 | H34 | 59.8° | 65.2° |
| C24 | C25 | H42 | H43 | 119.4° | 120.0° |
| C24 | C25 | C26 | H44 | 74.4° | 60.0° |
| C24 | C25 | C26 | H45 | 43.7° | 60.0° |
| C25 | C26 | C27 | H44 | 121.0° | 120.0° |
| C25 | C26 | C27 | H45 | 121.0° | 120.0° |
| C25 | C26 | C27 | C29 | 68.8° | 60.0° |
| C25 | C26 | C27 | C28 | 55.4° | 180.0° |
| C25 | C26 | C27 | O3 | 175.1° | 60.0° |
| C26 | C25 | C24 | H32 | 60.3° | 55.0° |
| C26 | C25 | H42 | H43 | 119.4° | 119.9° |
| C25 | C26 | H44 | H45 | 117.0° | 120.0° |
| C26 | C27 | C29 | C28 | 123.0° | 120.0° |
| C26 | C27 | C29 | O3 | 117.1° | 120.0° |
| C26 | C27 | C28 | O3 | 118.9° | 120.0° |
| C27 | C26 | C25 | H42 | 44.4° | 60.0° |
| C27 | C26 | C25 | H43 | 75.1° | 60.0° |
| C27 | C26 | H44 | H45 | 117.0° | 120.0° |
| C26 | C27 | C29 | H46 | 180.0° | 60.0° |
| C26 | C27 | C29 | H47 | 60.0° | 180.0° |
| C26 | C27 | C29 | H48 | 60.0° | 60.0° |
| C26 | C27 | C28 | H49 | 180.0° | 60.0° |
| C26 | C27 | C28 | H50 | 60.0° | 180.0° |
| C26 | C27 | C28 | H51 | 60.0° | 60.0° |
| C26 | C27 | O3 | H52 | 180.0° | 60.0° |
| C29 | C27 | C28 | O3 | 118.1° | 119.9° |
| C29 | C27 | C26 | H44 | 170.3° | 60.0° |
| C29 | C27 | C26 | H45 | 52.2° | 180.0° |
| C27 | C29 | H46 | H47 | 120.0° | 120.0° |
| C27 | C29 | H46 | H48 | 120.0° | 119.9° |
| C27 | C29 | H47 | H48 | 120.0° | 120.0° |
| C29 | C27 | C28 | H49 | 57.0° | 179.9° |
| C29 | C27 | C28 | H50 | 63.0° | 60.0° |
| C29 | C27 | C28 | H51 | 177.0° | 60.0° |
| C29 | C27 | O3 | H52 | 61.6° | 180.0° |
| C28 | C27 | C26 | H44 | 65.6° | 60.0° |
| C28 | C27 | C26 | H45 | 176.4° | 60.0° |
| C28 | C27 | C29 | H46 | 57.0° | 60.1° |
| C28 | C27 | C29 | H47 | 177.0° | 60.0° |
| C28 | C27 | C29 | H48 | 63.0° | 180.0° |
| C27 | C28 | H49 | H50 | 120.0° | 120.0° |
| C27 | C28 | H49 | H51 | 120.0° | 120.0° |
| C27 | C28 | H50 | H51 | 120.0° | 120.0° |
| C28 | C27 | O3 | H52 | 59.9° | 60.0° |
| O3 | C27 | C26 | H44 | 54.1° | 179.9° |
| O3 | C27 | C26 | H45 | 63.9° | 60.1° |
| O3 | C27 | C29 | H46 | 62.9° | 179.9° |
| O3 | C27 | C29 | H47 | 57.1° | 60.0° |
| O3 | C27 | C29 | H48 | 177.1° | 60.0° |
| O3 | C27 | C28 | H49 | 61.1° | 60.0° |
| O3 | C27 | C28 | H50 | 178.8° | 60.0° |
| O3 | C27 | C28 | H51 | 58.9° | 180.0° |
| H1 | O2 | C3 | H2 | 60.6° | 59.7° |
| H2 | C3 | C4 | H9 | 71.0° | 169.8° |
| H2 | C3 | C4 | H10 | 48.3° | 49.3° |
| H5 | C1 | O1 | H6 | 61.4° | 60.5° |
| H5 | C1 | C6 | H7 | 159.8° | 71.1° |
| H5 | C1 | C6 | H8 | 41.3° | 49.4° |
| H11 | C10 | C11 | H12 | 155.4° | 174.8° |
| H13 | C13 | C14 | H15 | 42.9° | 48.9° |
| H13 | C13 | C14 | H16 | 161.4° | 167.7° |
| H14 | C13 | C14 | H15 | 76.6° | 70.5° |
| H14 | C13 | C14 | H16 | 41.9° | 48.3° |
| H15 | C14 | C15 | H17 | 50.3° | 60.2° |
| H15 | C14 | C15 | H18 | 69.2° | 60.7° |
| H16 | C14 | C15 | H17 | 168.8° | 178.9° |
| H16 | C14 | C15 | H18 | 49.4° | 58.1° |
| H19 | C17 | C18 | H23 | 164.0° | 165.7° |
| H19 | C17 | C18 | H24 | 41.7° | 42.3° |
| H20 | C23 | H21 | H22 | 120.0° | 120.1° |
| H23 | C18 | C19 | H25 | 14.7° | 25.0° |
| H23 | C18 | C19 | H26 | 134.9° | 146.6° |
| H24 | C18 | C19 | H25 | 107.6° | 98.3° |
| H24 | C18 | C19 | H26 | 12.6° | 23.2° |
| H25 | C19 | C20 | H27 | 137.9° | 125.9° |
| H26 | C19 | C20 | H27 | 17.6° | 4.4° |
| H27 | C20 | C21 | H28 | 172.5° | 176.3° |
| H28 | C21 | C22 | H29 | 62.5° | 174.5° |
| H28 | C21 | C22 | H30 | 177.5° | 54.4° |
| H28 | C21 | C22 | H31 | 57.5° | 65.6° |
| H28 | C21 | C24 | H32 | 54.2° | 65.3° |
| H29 | C22 | H30 | H31 | 120.0° | 120.0° |
| H32 | C24 | C31 | H33 | 176.3° | 65.3° |
| H32 | C24 | C31 | H34 | 57.0° | 174.8° |
| H32 | C24 | C25 | H42 | 59.9° | 65.0° |
| H32 | C24 | C25 | H43 | 179.5° | 175.0° |
| H33 | C31 | C32 | H35 | 75.2° | 175.4° |
| H33 | C31 | C32 | H36 | 44.9° | 55.4° |
| H34 | C31 | C32 | H35 | 165.5° | 64.7° |
| H34 | C31 | C32 | H36 | 74.4° | 175.4° |
| H35 | C32 | C33 | H37 | 156.1° | 180.0° |
| H35 | C32 | C33 | H38 | 36.9° | 60.0° |
| H36 | C32 | C33 | H37 | 83.8° | 60.0° |
| H36 | C32 | C33 | H38 | 157.0° | 180.0° |
| H37 | C33 | C34 | H39 | 59.6° | 180.0° |
| H37 | C33 | C34 | H40 | 60.4° | 60.1° |
| H37 | C33 | C34 | H41 | 179.6° | 59.9° |
| H38 | C33 | C34 | H39 | 59.6° | 60.0° |
| H38 | C33 | C34 | H40 | 179.6° | 180.0° |
| H38 | C33 | C34 | H41 | 60.4° | 60.0° |
| H39 | C34 | H40 | H41 | 120.0° | 120.0° |
| H42 | C25 | C26 | H44 | 165.4° | 179.9° |
| H42 | C25 | C26 | H45 | 76.5° | 60.1° |
| H43 | C25 | C26 | H44 | 45.9° | 60.0° |
| H43 | C25 | C26 | H45 | 163.9° | 180.0° |
| H46 | C29 | H47 | H48 | 120.0° | 120.0° |
| H49 | C28 | H50 | H51 | 119.9° | 120.1° |
