WU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | C32 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C13 | C11 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.52Å | 1.54Å | |
| C13 | C28 | sing | 1.54Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.54Å | 1.54Å | |
| C15 | C16 | sing | 1.52Å | 1.53Å | |
| C18 | C28 | sing | 1.52Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C16 | sing | 1.55Å | 1.54Å | |
| C21 | C20 | sing | 1.55Å | 1.56Å | |
| C21 | C16 | sing | 1.52Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.55Å | 1.54Å | |
| O4 | C26 | doub | 1.21Å | 1.21Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.51Å | 1.49Å | |
| C26 | C27 | sing | 1.51Å | 1.48Å | |
| C27 | F1 | sing | 1.40Å | 1.75Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| O3 | C1 | sing | 1.43Å | 52.46Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | O1 | sing | 1.43Å | 0.00Å | |
| O1 | C4 | sing | 1.43Å | 0.00Å | |
| C4 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | O2 | sing | 1.43Å | 0.00Å | |
| O2 | C6 | sing | 1.43Å | 0.00Å | |
| C6 | C5 | sing | 1.47Å | 0.00Å | |
| C5 | C7 | trip | 1.17Å | 0.00Å | |
| C1 | H41 | sing | 1.09Å | 0.00Å | |
| C1 | H42 | sing | 1.09Å | 0.00Å | |
| C2 | H43 | sing | 1.09Å | 0.00Å | |
| C2 | H44 | sing | 1.09Å | 0.00Å | |
| C4 | H45 | sing | 1.09Å | 0.00Å | |
| C4 | H46 | sing | 1.09Å | 0.00Å | |
| C3 | H47 | sing | 1.09Å | 0.00Å | |
| C3 | H48 | sing | 1.09Å | 0.00Å | |
| C6 | H49 | sing | 1.09Å | 0.00Å | |
| C6 | H50 | sing | 1.09Å | 0.00Å | |
| C7 | H51 | sing | 1.05Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C8 | C32 | 113.6° | 109.5° |
| O3 | C8 | C9 | 109.4° | 109.5° |
| O3 | C8 | H3 | 108.4° | 109.4° |
| C8 | O3 | C1 | 79.2° | 114.0° |
| C32 | C8 | C9 | 110.6° | 109.5° |
| C8 | C32 | C31 | 111.5° | 109.5° |
| C32 | C8 | H3 | 107.3° | 109.5° |
| C8 | C32 | H39 | 108.9° | 109.4° |
| C8 | C32 | H40 | 108.9° | 109.4° |
| C8 | C9 | C10 | 110.4° | 109.6° |
| C9 | C8 | H3 | 107.4° | 109.5° |
| C8 | C9 | H4 | 109.2° | 109.5° |
| C8 | C9 | H5 | 109.2° | 109.5° |
| C32 | C31 | C30 | 111.6° | 109.4° |
| C32 | C31 | C11 | 113.8° | 109.4° |
| C32 | C31 | H38 | 106.3° | 109.7° |
| C31 | C32 | H39 | 109.0° | 109.5° |
| C31 | C32 | H40 | 109.0° | 109.5° |
| C9 | C10 | C11 | 114.1° | 109.2° |
| C10 | C9 | H4 | 109.2° | 109.4° |
| C10 | C9 | H5 | 109.2° | 109.4° |
| C9 | C10 | H6 | 108.3° | 109.5° |
| C9 | C10 | H7 | 108.3° | 109.4° |
| C30 | C31 | C11 | 112.2° | 109.4° |
| C31 | C30 | C29 | 112.0° | 109.5° |
| C31 | C30 | H36 | 108.9° | 109.5° |
| C31 | C30 | H37 | 108.8° | 109.4° |
| C30 | C31 | H38 | 106.3° | 109.5° |
| C31 | C11 | C10 | 109.1° | 109.5° |
| C31 | C11 | C13 | 108.7° | 109.3° |
| C31 | C11 | C12 | 110.5° | 109.6° |
| C11 | C31 | H38 | 106.0° | 109.5° |
| C10 | C11 | C13 | 111.6° | 109.4° |
| C10 | C11 | C12 | 106.3° | 109.5° |
| C11 | C10 | H6 | 108.3° | 109.5° |
| C11 | C10 | H7 | 108.3° | 109.8° |
| C30 | C29 | C28 | 112.1° | 109.4° |
| C30 | C29 | H34 | 108.8° | 109.5° |
| C30 | C29 | H35 | 108.8° | 109.5° |
| C29 | C30 | H36 | 108.8° | 109.4° |
| C29 | C30 | H37 | 108.8° | 109.5° |
| C29 | C28 | C13 | 110.1° | 109.2° |
| C29 | C28 | C18 | 112.4° | 110.3° |
| C29 | C28 | H33 | 108.1° | 110.6° |
| C28 | C29 | H34 | 108.8° | 109.5° |
| C28 | C29 | H35 | 108.8° | 109.5° |
| C11 | C13 | C14 | 113.8° | 110.1° |
| C11 | C13 | C28 | 111.4° | 109.2° |
| C13 | C11 | C12 | 110.7° | 109.5° |
| C11 | C13 | H11 | 106.1° | 108.8° |
| C14 | C13 | C28 | 112.2° | 111.6° |
| C13 | C14 | C15 | 113.4° | 111.3° |
| C13 | C14 | H1 | 108.5° | 109.1° |
| C13 | C14 | H2 | 108.5° | 109.1° |
| C14 | C13 | H11 | 106.4° | 108.9° |
| C13 | C28 | C18 | 110.0° | 107.2° |
| C28 | C13 | H11 | 106.2° | 108.2° |
| C13 | C28 | H33 | 107.9° | 109.7° |
| C11 | C12 | H8 | 109.5° | 109.5° |
| C11 | C12 | H9 | 109.4° | 109.5° |
| C11 | C12 | H10 | 109.5° | 109.5° |
| C14 | C15 | C16 | 111.0° | 107.3° |
| C15 | C14 | H1 | 108.5° | 109.1° |
| C15 | C14 | H2 | 108.5° | 109.1° |
| C14 | C15 | H12 | 109.1° | 109.9° |
| C14 | C15 | H13 | 109.1° | 109.9° |
| C15 | C16 | C18 | 106.3° | 107.4° |
| C15 | C16 | C21 | 117.4° | 116.6° |
| C15 | C16 | C17 | 110.9° | 109.8° |
| C16 | C15 | H12 | 109.1° | 109.9° |
| C16 | C15 | H13 | 109.1° | 109.9° |
| C28 | C18 | C19 | 117.3° | 115.9° |
| C28 | C18 | C16 | 114.1° | 107.0° |
| C28 | C18 | H17 | 107.2° | 110.3° |
| C18 | C28 | H33 | 108.2° | 109.8° |
| C19 | C18 | C16 | 103.5° | 101.7° |
| C18 | C19 | C20 | 103.5° | 102.9° |
| C19 | C18 | H17 | 107.2° | 110.4° |
| C18 | C19 | H18 | 110.9° | 110.7° |
| C18 | C19 | H19 | 111.0° | 110.7° |
| C18 | C16 | C21 | 100.3° | 103.2° |
| C18 | C16 | C17 | 111.7° | 109.7° |
| C16 | C18 | H17 | 107.0° | 111.2° |
| C20 | C21 | C16 | 103.9° | 105.4° |
| C20 | C21 | C22 | 111.8° | 110.2° |
| C21 | C20 | C19 | 107.0° | 106.4° |
| C21 | C20 | H20 | 110.1° | 110.2° |
| C21 | C20 | H21 | 110.1° | 110.0° |
| C20 | C21 | H22 | 106.6° | 110.3° |
| C16 | C21 | C22 | 120.6° | 110.2° |
| C21 | C16 | C17 | 109.7° | 109.8° |
| C16 | C21 | H22 | 106.5° | 110.3° |
| C21 | C22 | C24 | 107.9° | 109.5° |
| C21 | C22 | C23 | 114.6° | 109.4° |
| C22 | C21 | H22 | 106.7° | 110.3° |
| C21 | C22 | H23 | 108.0° | 109.4° |
| C20 | C19 | H18 | 111.0° | 110.7° |
| C20 | C19 | H19 | 110.9° | 110.7° |
| C19 | C20 | H20 | 110.1° | 110.1° |
| C19 | C20 | H21 | 110.1° | 110.0° |
| O4 | C26 | C25 | 125.6° | 120.0° |
| O4 | C26 | C27 | 121.5° | 120.0° |
| C16 | C17 | H14 | 109.5° | 109.5° |
| C16 | C17 | H15 | 109.4° | 109.5° |
| C16 | C17 | H16 | 109.5° | 109.4° |
| C22 | C24 | C25 | 113.4° | 109.4° |
| C24 | C22 | C23 | 109.9° | 109.5° |
| C24 | C22 | H23 | 108.1° | 109.5° |
| C22 | C24 | H27 | 108.5° | 109.5° |
| C22 | C24 | H28 | 108.5° | 109.5° |
| C24 | C25 | C26 | 109.5° | 109.5° |
| C25 | C24 | H27 | 108.5° | 109.5° |
| C25 | C24 | H28 | 108.5° | 109.4° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C24 | C25 | H30 | 109.5° | 109.5° |
| C23 | C22 | H23 | 108.1° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.4° | 109.4° |
| C22 | C23 | H26 | 109.5° | 109.5° |
| C25 | C26 | C27 | 112.5° | 120.0° |
| C26 | C25 | H29 | 109.5° | 109.4° |
| C26 | C25 | H30 | 109.4° | 109.4° |
| C26 | C27 | F1 | 109.2° | 109.5° |
| C26 | C27 | H31 | 109.5° | 109.4° |
| C26 | C27 | H32 | 109.5° | 109.4° |
| F1 | C27 | H31 | 109.6° | 109.5° |
| F1 | C27 | H32 | 109.5° | 109.5° |
| H1 | C14 | H2 | 109.5° | 109.1° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.9° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H14 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 110.8° |
| H20 | C20 | H21 | 109.5° | 110.1° |
| H24 | C23 | H25 | 109.5° | 109.4° |
| H24 | C23 | H26 | 109.4° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.4° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.4° |
| H39 | C32 | H40 | 109.4° | 109.5° |
| O3 | C1 | C2 | 90.0° | 109.5° |
| O3 | C1 | H41 | 90.0° | 109.5° |
| O3 | C1 | H42 | 90.0° | 109.5° |
| C1 | C2 | O1 | 90.0° | 109.4° |
| C2 | C1 | H41 | 90.0° | 109.5° |
| C2 | C1 | H42 | 90.0° | 109.4° |
| C1 | C2 | H43 | 90.0° | 109.5° |
| C1 | C2 | H44 | 90.0° | 109.5° |
| C2 | O1 | C4 | 90.0° | 114.0° |
| O1 | C2 | H43 | 90.0° | 109.5° |
| O1 | C2 | H44 | 90.0° | 109.5° |
| O1 | C4 | C3 | 90.0° | 109.5° |
| O1 | C4 | H45 | 90.0° | 109.5° |
| O1 | C4 | H46 | 90.0° | 109.4° |
| C4 | C3 | O2 | 90.0° | 109.5° |
| C3 | C4 | H45 | 90.0° | 109.5° |
| C3 | C4 | H46 | 90.0° | 109.5° |
| C4 | C3 | H47 | 90.0° | 109.4° |
| C4 | C3 | H48 | 90.0° | 109.5° |
| C3 | O2 | C6 | 90.0° | 114.0° |
| O2 | C3 | H47 | 90.0° | 109.5° |
| O2 | C3 | H48 | 90.0° | 109.5° |
| O2 | C6 | C5 | 90.0° | 109.4° |
| O2 | C6 | H49 | 90.0° | 109.4° |
| O2 | C6 | H50 | 90.0° | 109.5° |
| C6 | C5 | C7 | 90.0° | 180.0° |
| C5 | C6 | H49 | 90.0° | 109.5° |
| C5 | C6 | H50 | 90.0° | 109.5° |
| C5 | C7 | H51 | 90.0° | 179.9° |
| H41 | C1 | H42 | 90.0° | 109.5° |
| H43 | C2 | H44 | 90.0° | 109.5° |
| H45 | C4 | H46 | 90.0° | 109.5° |
| H47 | C3 | H48 | 90.0° | 109.5° |
| H49 | C6 | H50 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C8 | C32 | C9 | 123.4° | 120.0° |
| O3 | C8 | C32 | H3 | 119.8° | 119.9° |
| O3 | C8 | C9 | H3 | 117.4° | 120.0° |
| O3 | C8 | C32 | C31 | 179.6° | 180.0° |
| O3 | C8 | C9 | C10 | 176.0° | 179.9° |
| O3 | C8 | C9 | H4 | 63.8° | 59.9° |
| O3 | C8 | C9 | H5 | 55.9° | 60.1° |
| O3 | C8 | C32 | H39 | 59.3° | 60.0° |
| O3 | C8 | C32 | H40 | 60.1° | 59.9° |
| C8 | O3 | C1 | C2 | 90.0° | 180.0° |
| C8 | O3 | C1 | H41 | 90.0° | 60.0° |
| C8 | O3 | C1 | H42 | 90.0° | 60.0° |
| C32 | C8 | C9 | H3 | 116.8° | 120.0° |
| C8 | C32 | C31 | H39 | 120.3° | 120.0° |
| C8 | C32 | C31 | H40 | 120.3° | 120.0° |
| C32 | C8 | C9 | C10 | 58.2° | 59.9° |
| C8 | C32 | C31 | C30 | 178.3° | 179.9° |
| C8 | C32 | C31 | C11 | 53.5° | 60.1° |
| C32 | C8 | C9 | H4 | 62.0° | 60.1° |
| C32 | C8 | C9 | H5 | 178.3° | 179.9° |
| C8 | C32 | C31 | H38 | 62.8° | 60.0° |
| C8 | C32 | H39 | H40 | 119.0° | 119.9° |
| C32 | C8 | O3 | C1 | 42.5° | 150.0° |
| C9 | C8 | C32 | C31 | 57.1° | 59.9° |
| C8 | C9 | C10 | H4 | 120.1° | 120.1° |
| C8 | C9 | C10 | H5 | 120.1° | 120.0° |
| C8 | C9 | C10 | C11 | 56.9° | 59.9° |
| C8 | C9 | H4 | H5 | 119.6° | 120.0° |
| C8 | C9 | C10 | H6 | 177.5° | 59.9° |
| C8 | C9 | C10 | H7 | 63.8° | 179.9° |
| C9 | C8 | C32 | H39 | 177.4° | 179.9° |
| C9 | C8 | C32 | H40 | 63.3° | 60.1° |
| C9 | C8 | O3 | C1 | 81.5° | 89.9° |
| C32 | C31 | C30 | C11 | 129.0° | 119.8° |
| C32 | C31 | C30 | H38 | 115.5° | 120.2° |
| C32 | C31 | C11 | H38 | 116.5° | 120.2° |
| C32 | C31 | C11 | C10 | 49.2° | 60.4° |
| C32 | C31 | C30 | C29 | 74.9° | 59.7° |
| C32 | C31 | C11 | C13 | 72.7° | 59.4° |
| C32 | C31 | C11 | C12 | 165.6° | 179.4° |
| C31 | C32 | C8 | H3 | 59.8° | 60.1° |
| C32 | C31 | C30 | H36 | 164.7° | 60.3° |
| C32 | C31 | C30 | H37 | 45.5° | 179.8° |
| C31 | C32 | H39 | H40 | 119.1° | 120.1° |
| C9 | C10 | C11 | C31 | 51.1° | 60.2° |
| C9 | C10 | C11 | H6 | 120.7° | 119.8° |
| C9 | C10 | C11 | H7 | 120.7° | 120.0° |
| C9 | C10 | C11 | C13 | 69.1° | 59.6° |
| C9 | C10 | C11 | C12 | 170.2° | 179.6° |
| C10 | C9 | C8 | H3 | 58.6° | 60.1° |
| C10 | C9 | H4 | H5 | 119.6° | 119.9° |
| C9 | C10 | H6 | H7 | 117.9° | 120.0° |
| C30 | C31 | C11 | H38 | 115.6° | 120.0° |
| C30 | C31 | C11 | C10 | 177.0° | 179.8° |
| C31 | C30 | C29 | H36 | 120.4° | 120.0° |
| C31 | C30 | C29 | H37 | 120.4° | 120.0° |
| C31 | C30 | C29 | C28 | 54.1° | 60.1° |
| C30 | C31 | C11 | C13 | 55.2° | 60.3° |
| C30 | C31 | C11 | C12 | 66.5° | 59.7° |
| C31 | C30 | C29 | H34 | 174.5° | 59.9° |
| C31 | C30 | C29 | H35 | 66.3° | 179.9° |
| C31 | C30 | H36 | H37 | 118.9° | 120.0° |
| C30 | C31 | C32 | H39 | 58.0° | 60.1° |
| C30 | C31 | C32 | H40 | 61.4° | 59.9° |
| C31 | C11 | C10 | C13 | 120.1° | 119.8° |
| C31 | C11 | C10 | C12 | 119.2° | 120.2° |
| C11 | C31 | C30 | C29 | 54.1° | 60.1° |
| C31 | C11 | C13 | C12 | 121.6° | 120.0° |
| C31 | C11 | C13 | C14 | 174.4° | 176.7° |
| C31 | C11 | C13 | C28 | 57.4° | 60.5° |
| C31 | C11 | C10 | H6 | 171.7° | 59.6° |
| C31 | C11 | C10 | H7 | 69.6° | 179.9° |
| C31 | C11 | C12 | H8 | 180.0° | 60.2° |
| C31 | C11 | C12 | H9 | 60.0° | 59.8° |
| C31 | C11 | C12 | H10 | 60.0° | 179.9° |
| C31 | C11 | C13 | H11 | 57.8° | 57.4° |
| C11 | C31 | C30 | H36 | 66.3° | 179.9° |
| C11 | C31 | C30 | H37 | 174.5° | 60.0° |
| C11 | C31 | C32 | H39 | 173.8° | 180.0° |
| C11 | C31 | C32 | H40 | 66.8° | 59.9° |
| C10 | C11 | C13 | C12 | 118.1° | 120.0° |
| C10 | C11 | C13 | C14 | 54.1° | 56.7° |
| C10 | C11 | C13 | C28 | 177.8° | 179.5° |
| C11 | C10 | C9 | H4 | 63.3° | 60.1° |
| C11 | C10 | C9 | H5 | 177.0° | 179.9° |
| C11 | C10 | H6 | H7 | 117.9° | 120.4° |
| C10 | C11 | C12 | H8 | 61.8° | 60.0° |
| C10 | C11 | C12 | H9 | 58.2° | 180.0° |
| C10 | C11 | C12 | H10 | 178.2° | 59.9° |
| C10 | C11 | C13 | H11 | 62.5° | 62.5° |
| C10 | C11 | C31 | H38 | 67.3° | 59.8° |
| C30 | C29 | C28 | H34 | 120.4° | 120.0° |
| C30 | C29 | C28 | H35 | 120.4° | 120.0° |
| C30 | C29 | C28 | C13 | 55.7° | 60.2° |
| C30 | C29 | C28 | C18 | 178.7° | 177.8° |
| C30 | C29 | C28 | H33 | 62.0° | 60.6° |
| C30 | C29 | H34 | H35 | 118.8° | 120.0° |
| C29 | C30 | H36 | H37 | 118.8° | 120.0° |
| C29 | C30 | C31 | H38 | 169.6° | 179.9° |
| C29 | C28 | C13 | C11 | 58.2° | 60.5° |
| C29 | C28 | C13 | C14 | 172.8° | 177.6° |
| C29 | C28 | C13 | C18 | 124.4° | 119.5° |
| C29 | C28 | C13 | H33 | 117.8° | 121.3° |
| C29 | C28 | C18 | H33 | 119.3° | 122.1° |
| C29 | C28 | C18 | C19 | 59.2° | 64.1° |
| C29 | C28 | C18 | C16 | 179.6° | 176.7° |
| C29 | C28 | C13 | H11 | 57.0° | 57.9° |
| C29 | C28 | C18 | H17 | 61.3° | 62.3° |
| C28 | C29 | H34 | H35 | 118.8° | 120.0° |
| C28 | C29 | C30 | H36 | 66.3° | 179.8° |
| C28 | C29 | C30 | H37 | 174.5° | 59.9° |
| C11 | C13 | C14 | C28 | 127.7° | 121.4° |
| C11 | C13 | C14 | H11 | 116.5° | 119.2° |
| C11 | C13 | C28 | H11 | 115.2° | 118.4° |
| C11 | C13 | C14 | C15 | 177.4° | 176.4° |
| C11 | C13 | C28 | C18 | 177.4° | 180.0° |
| C11 | C13 | C14 | H1 | 62.0° | 63.2° |
| C11 | C13 | C14 | H2 | 56.8° | 56.0° |
| C13 | C11 | C10 | H6 | 51.6° | 179.4° |
| C13 | C11 | C10 | H7 | 170.3° | 60.3° |
| C13 | C11 | C12 | H8 | 59.5° | 180.0° |
| C13 | C11 | C12 | H9 | 179.5° | 60.0° |
| C13 | C11 | C12 | H10 | 60.5° | 60.0° |
| C11 | C13 | C28 | H33 | 59.6° | 60.8° |
| C13 | C11 | C31 | H38 | 170.8° | 179.6° |
| C14 | C13 | C28 | H11 | 115.8° | 119.7° |
| C14 | C13 | C11 | C12 | 64.0° | 63.3° |
| C13 | C14 | C15 | H1 | 120.6° | 120.5° |
| C13 | C14 | C15 | H2 | 120.6° | 120.4° |
| C13 | C14 | C15 | C16 | 56.1° | 57.4° |
| C14 | C13 | C28 | C18 | 48.4° | 58.1° |
| C13 | C14 | H1 | H2 | 118.2° | 119.1° |
| C13 | C14 | C15 | H12 | 64.1° | 62.0° |
| C13 | C14 | C15 | H13 | 176.4° | 176.9° |
| C14 | C13 | C28 | H33 | 69.4° | 61.1° |
| C28 | C13 | C11 | C12 | 64.2° | 59.5° |
| C28 | C13 | C14 | C15 | 49.7° | 55.0° |
| C13 | C28 | C18 | H33 | 117.7° | 119.1° |
| C13 | C28 | C18 | C19 | 177.8° | 177.1° |
| C13 | C28 | C18 | C16 | 56.6° | 64.6° |
| C28 | C13 | C14 | H1 | 170.2° | 175.4° |
| C28 | C13 | C14 | H2 | 70.9° | 65.5° |
| C13 | C28 | C18 | H17 | 61.7° | 56.5° |
| C13 | C28 | C29 | H34 | 176.1° | 59.8° |
| C13 | C28 | C29 | H35 | 64.7° | 179.8° |
| C12 | C11 | C10 | H6 | 69.1° | 60.6° |
| C12 | C11 | C10 | H7 | 49.6° | 59.7° |
| C11 | C12 | H8 | H9 | 120.0° | 120.0° |
| C11 | C12 | H8 | H10 | 120.0° | 120.0° |
| C11 | C12 | H9 | H10 | 120.0° | 120.1° |
| C12 | C11 | C13 | H11 | 179.4° | 177.5° |
| C12 | C11 | C31 | H38 | 49.2° | 60.4° |
| C14 | C15 | C16 | H12 | 120.2° | 119.4° |
| C14 | C15 | C16 | H13 | 120.2° | 119.5° |
| C14 | C15 | C16 | C18 | 59.1° | 64.3° |
| C14 | C15 | C16 | C21 | 170.2° | 179.5° |
| C14 | C15 | C16 | C17 | 62.5° | 54.9° |
| C15 | C14 | H1 | H2 | 118.2° | 119.1° |
| C15 | C14 | C13 | H11 | 66.1° | 64.4° |
| C14 | C15 | H12 | H13 | 119.3° | 121.1° |
| C15 | C16 | C18 | C28 | 61.6° | 69.9° |
| C15 | C16 | C18 | C19 | 169.9° | 168.2° |
| C15 | C16 | C18 | C21 | 122.7° | 123.8° |
| C15 | C16 | C18 | C17 | 121.1° | 119.3° |
| C15 | C16 | C21 | C20 | 151.9° | 146.8° |
| C15 | C16 | C21 | C17 | 127.9° | 125.6° |
| C15 | C16 | C21 | C22 | 81.9° | 94.3° |
| C16 | C15 | C14 | H1 | 176.7° | 177.9° |
| C16 | C15 | C14 | H2 | 64.4° | 63.0° |
| C16 | C15 | H12 | H13 | 119.3° | 121.0° |
| C15 | C16 | C17 | H14 | 180.0° | 57.4° |
| C15 | C16 | C17 | H15 | 60.0° | 177.4° |
| C15 | C16 | C17 | H16 | 60.0° | 62.7° |
| C15 | C16 | C18 | H17 | 56.8° | 50.7° |
| C15 | C16 | C21 | H22 | 39.6° | 27.8° |
| C28 | C18 | C19 | C16 | 126.6° | 115.6° |
| C28 | C18 | C19 | H17 | 120.5° | 126.3° |
| C28 | C18 | C16 | H17 | 118.4° | 120.5° |
| C28 | C18 | C16 | C21 | 175.7° | 166.4° |
| C28 | C18 | C19 | C20 | 164.8° | 157.2° |
| C28 | C18 | C16 | C17 | 59.6° | 49.4° |
| C18 | C28 | C13 | H11 | 67.4° | 61.7° |
| C28 | C18 | C19 | H18 | 45.7° | 38.9° |
| C28 | C18 | C19 | H19 | 76.2° | 84.4° |
| C18 | C28 | C29 | H34 | 60.9° | 57.8° |
| C18 | C28 | C29 | H35 | 58.3° | 62.2° |
| C19 | C18 | C16 | H17 | 113.0° | 117.5° |
| C18 | C19 | C20 | C21 | 14.1° | 23.9° |
| C19 | C18 | C16 | C21 | 47.2° | 44.4° |
| C18 | C19 | C20 | H18 | 119.0° | 118.3° |
| C18 | C19 | C20 | H19 | 119.0° | 118.4° |
| C19 | C18 | C16 | C17 | 69.0° | 72.6° |
| C18 | C19 | H18 | H19 | 122.8° | 123.3° |
| C18 | C19 | C20 | H20 | 105.6° | 143.2° |
| C18 | C19 | C20 | H21 | 133.7° | 95.3° |
| C19 | C18 | C28 | H33 | 60.1° | 58.0° |
| C18 | C16 | C21 | C20 | 37.4° | 29.3° |
| C18 | C16 | C21 | C17 | 117.6° | 116.9° |
| C18 | C16 | C21 | C22 | 163.5° | 148.2° |
| C16 | C18 | C19 | C20 | 38.2° | 41.6° |
| C18 | C16 | C15 | H12 | 61.1° | 55.1° |
| C18 | C16 | C15 | H13 | 179.3° | 176.2° |
| C18 | C16 | C17 | H14 | 61.6° | 60.5° |
| C18 | C16 | C17 | H15 | 178.4° | 59.5° |
| C18 | C16 | C17 | H16 | 58.4° | 179.5° |
| C16 | C18 | C19 | H18 | 80.9° | 76.7° |
| C16 | C18 | C19 | H19 | 157.2° | 159.9° |
| C18 | C16 | C21 | H22 | 74.9° | 89.7° |
| C16 | C18 | C28 | H33 | 61.1° | 54.6° |
| C20 | C21 | C16 | C22 | 126.2° | 118.9° |
| C20 | C21 | C16 | H22 | 112.3° | 119.0° |
| C20 | C21 | C22 | H22 | 116.1° | 122.0° |
| C21 | C20 | C19 | H20 | 119.6° | 119.3° |
| C21 | C20 | C19 | H21 | 119.6° | 119.2° |
| C20 | C21 | C16 | C17 | 80.3° | 87.6° |
| C20 | C21 | C22 | C24 | 58.4° | 61.4° |
| C20 | C21 | C22 | C23 | 178.9° | 178.6° |
| C21 | C20 | C19 | H18 | 105.0° | 94.5° |
| C21 | C20 | C19 | H19 | 133.1° | 142.2° |
| C21 | C20 | H20 | H21 | 121.1° | 121.5° |
| C20 | C21 | C22 | H23 | 58.3° | 58.6° |
| C16 | C21 | C22 | H22 | 121.5° | 122.1° |
| C16 | C21 | C20 | C19 | 14.8° | 3.5° |
| C16 | C21 | C22 | C24 | 179.2° | 177.4° |
| C16 | C21 | C22 | C23 | 56.4° | 62.6° |
| C21 | C16 | C15 | H12 | 50.0° | 60.0° |
| C21 | C16 | C15 | H13 | 69.6° | 61.0° |
| C21 | C16 | C17 | H14 | 48.6° | 173.3° |
| C21 | C16 | C17 | H15 | 71.4° | 53.2° |
| C21 | C16 | C17 | H16 | 168.6° | 66.7° |
| C21 | C16 | C18 | H17 | 65.9° | 73.1° |
| C16 | C21 | C20 | H20 | 134.5° | 115.7° |
| C16 | C21 | C20 | H21 | 104.8° | 122.7° |
| C16 | C21 | C22 | H23 | 64.1° | 57.3° |
| C22 | C21 | C20 | C19 | 146.4° | 122.5° |
| C22 | C21 | C16 | C17 | 45.9° | 31.3° |
| C21 | C22 | C24 | C23 | 125.6° | 120.0° |
| C21 | C22 | C24 | H23 | 116.6° | 120.0° |
| C21 | C22 | C24 | C25 | 172.0° | 175.0° |
| C21 | C22 | C23 | H23 | 120.5° | 119.9° |
| C22 | C21 | C20 | H20 | 94.0° | 3.2° |
| C22 | C21 | C20 | H21 | 26.8° | 118.4° |
| C21 | C22 | C23 | H24 | 180.0° | 60.0° |
| C21 | C22 | C23 | H25 | 60.0° | 180.0° |
| C21 | C22 | C23 | H26 | 60.0° | 60.1° |
| C21 | C22 | C24 | H27 | 67.4° | 55.0° |
| C21 | C22 | C24 | H28 | 51.4° | 65.1° |
| C20 | C19 | C18 | H17 | 74.7° | 76.5° |
| C20 | C19 | H18 | H19 | 122.8° | 123.3° |
| C19 | C20 | H20 | H21 | 121.1° | 121.5° |
| C19 | C20 | C21 | H22 | 97.4° | 115.5° |
| O4 | C26 | C25 | C24 | 43.7° | 0.1° |
| O4 | C26 | C25 | C27 | 173.1° | 179.9° |
| O4 | C26 | C27 | F1 | 64.4° | 0.0° |
| O4 | C26 | C25 | H29 | 76.3° | 120.0° |
| O4 | C26 | C25 | H30 | 163.7° | 120.0° |
| O4 | C26 | C27 | H31 | 55.5° | 120.0° |
| O4 | C26 | C27 | H32 | 175.6° | 120.1° |
| C17 | C16 | C15 | H12 | 177.2° | 174.4° |
| C17 | C16 | C15 | H13 | 57.7° | 64.5° |
| C16 | C17 | H14 | H15 | 120.0° | 120.1° |
| C16 | C17 | H14 | H16 | 120.0° | 120.0° |
| C16 | C17 | H15 | H16 | 120.0° | 120.0° |
| C17 | C16 | C18 | H17 | 178.0° | 169.9° |
| C17 | C16 | C21 | H22 | 167.4° | 153.3° |
| C22 | C24 | C25 | H27 | 120.6° | 120.0° |
| C22 | C24 | C25 | H28 | 120.6° | 120.0° |
| C24 | C22 | C23 | H23 | 117.8° | 120.1° |
| C22 | C24 | C25 | C26 | 155.3° | 180.0° |
| C24 | C22 | C21 | H22 | 57.7° | 60.6° |
| C24 | C22 | C23 | H24 | 58.3° | 180.0° |
| C24 | C22 | C23 | H25 | 61.7° | 60.1° |
| C24 | C22 | C23 | H26 | 178.3° | 59.9° |
| C22 | C24 | H27 | H28 | 118.2° | 120.0° |
| C22 | C24 | C25 | H29 | 84.7° | 60.0° |
| C22 | C24 | C25 | H30 | 35.3° | 60.1° |
| C25 | C24 | C22 | C23 | 46.5° | 65.0° |
| C24 | C25 | C26 | H29 | 120.0° | 120.1° |
| C24 | C25 | C26 | H30 | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 129.4° | 180.0° |
| C25 | C24 | C22 | H23 | 71.3° | 55.0° |
| C25 | C24 | H27 | H28 | 118.2° | 120.0° |
| C24 | C25 | H29 | H30 | 120.0° | 120.1° |
| C23 | C22 | C21 | H22 | 65.0° | 59.4° |
| C22 | C23 | H24 | H25 | 120.0° | 119.9° |
| C22 | C23 | H24 | H26 | 120.0° | 120.1° |
| C22 | C23 | H25 | H26 | 120.0° | 120.0° |
| C23 | C22 | C24 | H27 | 167.0° | 175.0° |
| C23 | C22 | C24 | H28 | 74.1° | 54.9° |
| C25 | C26 | C27 | F1 | 108.9° | 179.9° |
| C26 | C25 | C24 | H27 | 34.7° | 60.0° |
| C26 | C25 | C24 | H28 | 84.1° | 60.1° |
| C26 | C25 | H29 | H30 | 120.0° | 119.9° |
| C25 | C26 | C27 | H31 | 131.1° | 59.9° |
| C25 | C26 | C27 | H32 | 11.0° | 60.0° |
| C26 | C27 | F1 | H31 | 119.9° | 120.0° |
| C26 | C27 | F1 | H32 | 120.0° | 120.0° |
| C27 | C26 | C25 | H29 | 110.6° | 60.0° |
| C27 | C26 | C25 | H30 | 9.4° | 60.0° |
| C26 | C27 | H31 | H32 | 120.1° | 119.9° |
| F1 | C27 | H31 | H32 | 120.1° | 120.0° |
| H1 | C14 | C13 | H11 | 54.5° | 56.0° |
| H1 | C14 | C15 | H12 | 56.5° | 58.5° |
| H1 | C14 | C15 | H13 | 63.0° | 62.6° |
| H2 | C14 | C13 | H11 | 173.3° | 175.2° |
| H2 | C14 | C15 | H12 | 175.3° | 177.6° |
| H2 | C14 | C15 | H13 | 55.8° | 56.4° |
| H3 | C8 | C9 | H4 | 178.8° | 179.8° |
| H3 | C8 | C9 | H5 | 61.5° | 59.8° |
| H3 | C8 | C32 | H39 | 60.5° | 59.9° |
| H3 | C8 | C32 | H40 | 179.9° | 179.9° |
| H3 | C8 | O3 | C1 | 161.7° | 30.1° |
| H4 | C9 | C10 | H6 | 57.4° | 179.9° |
| H4 | C9 | C10 | H7 | 176.1° | 60.1° |
| H5 | C9 | C10 | H6 | 62.3° | 60.1° |
| H5 | C9 | C10 | H7 | 56.3° | 59.9° |
| H8 | C12 | H9 | H10 | 120.0° | 119.9° |
| H11 | C13 | C28 | H33 | 174.7° | 179.2° |
| H14 | C17 | H15 | H16 | 120.0° | 120.0° |
| H17 | C18 | C19 | H18 | 166.2° | 165.2° |
| H17 | C18 | C19 | H19 | 44.3° | 41.9° |
| H17 | C18 | C28 | H33 | 179.4° | 175.6° |
| H18 | C19 | C20 | H20 | 135.4° | 24.8° |
| H18 | C19 | C20 | H21 | 14.6° | 146.4° |
| H19 | C19 | C20 | H20 | 13.5° | 98.4° |
| H19 | C19 | C20 | H21 | 107.3° | 23.1° |
| H20 | C20 | C21 | H22 | 22.2° | 125.2° |
| H21 | C20 | C21 | H22 | 143.0° | 3.6° |
| H22 | C21 | C22 | H23 | 174.4° | 179.4° |
| H23 | C22 | C23 | H24 | 59.5° | 59.9° |
| H23 | C22 | C23 | H25 | 179.5° | 60.0° |
| H23 | C22 | C23 | H26 | 60.5° | 180.0° |
| H23 | C22 | C24 | H27 | 49.3° | 65.0° |
| H23 | C22 | C24 | H28 | 168.1° | 175.0° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
| H27 | C24 | C25 | H29 | 154.8° | 180.0° |
| H27 | C24 | C25 | H30 | 85.2° | 59.9° |
| H28 | C24 | C25 | H29 | 35.9° | 59.9° |
| H28 | C24 | C25 | H30 | 155.9° | 180.0° |
| H33 | C28 | C29 | H34 | 58.4° | 179.4° |
| H33 | C28 | C29 | H35 | 177.6° | 59.4° |
| H34 | C29 | C30 | H36 | 54.1° | 60.1° |
| H34 | C29 | C30 | H37 | 65.1° | 179.9° |
| H35 | C29 | C30 | H36 | 173.3° | 59.8° |
| H35 | C29 | C30 | H37 | 54.1° | 60.1° |
| H36 | C30 | C31 | H38 | 49.2° | 59.9° |
| H37 | C30 | C31 | H38 | 70.1° | 60.1° |
| H38 | C31 | C32 | H39 | 57.5° | 59.9° |
| H38 | C31 | C32 | H40 | 176.9° | 180.0° |
| O3 | C1 | C2 | H41 | 90.0° | 120.0° |
| O3 | C1 | C2 | H42 | 90.0° | 120.0° |
| O3 | C1 | C2 | O1 | 90.0° | 65.0° |
| O3 | C1 | H41 | H42 | 90.0° | 120.0° |
| O3 | C1 | C2 | H43 | 90.0° | 175.1° |
| O3 | C1 | C2 | H44 | 90.0° | 55.0° |
| C1 | C2 | O1 | H43 | 90.0° | 120.0° |
| C1 | C2 | O1 | H44 | 90.0° | 120.0° |
| C1 | C2 | O1 | C4 | 90.0° | 180.0° |
| C2 | C1 | H41 | H42 | 90.0° | 120.0° |
| C1 | C2 | H43 | H44 | 90.0° | 120.0° |
| C2 | O1 | C4 | C3 | 90.0° | 180.0° |
| O1 | C2 | C1 | H41 | 90.0° | 55.0° |
| O1 | C2 | C1 | H42 | 90.0° | 175.0° |
| O1 | C2 | H43 | H44 | 90.0° | 120.0° |
| C2 | O1 | C4 | H45 | 90.0° | 60.0° |
| C2 | O1 | C4 | H46 | 90.0° | 60.1° |
| O1 | C4 | C3 | H45 | 90.0° | 120.0° |
| O1 | C4 | C3 | H46 | 90.0° | 119.9° |
| O1 | C4 | C3 | O2 | 90.0° | 65.0° |
| C4 | O1 | C2 | H43 | 90.0° | 60.0° |
| C4 | O1 | C2 | H44 | 90.0° | 60.0° |
| O1 | C4 | H45 | H46 | 90.0° | 120.0° |
| O1 | C4 | C3 | H47 | 90.0° | 175.0° |
| O1 | C4 | C3 | H48 | 90.0° | 55.0° |
| C4 | C3 | O2 | H47 | 90.0° | 120.0° |
| C4 | C3 | O2 | H48 | 90.0° | 120.0° |
| C4 | C3 | O2 | C6 | 90.0° | 180.0° |
| C3 | C4 | H45 | H46 | 90.0° | 120.0° |
| C4 | C3 | H47 | H48 | 90.0° | 120.0° |
| C3 | O2 | C6 | C5 | 90.0° | 180.0° |
| O2 | C3 | C4 | H45 | 90.0° | 55.0° |
| O2 | C3 | C4 | H46 | 90.0° | 175.1° |
| O2 | C3 | H47 | H48 | 90.0° | 120.1° |
| C3 | O2 | C6 | H49 | 90.0° | 60.0° |
| C3 | O2 | C6 | H50 | 90.0° | 60.0° |
| O2 | C6 | C5 | H49 | 90.0° | 119.9° |
| O2 | C6 | C5 | H50 | 90.0° | 120.1° |
| O2 | C6 | C5 | C7 | 90.0° | 96.7° |
| C6 | O2 | C3 | H47 | 90.0° | 60.0° |
| C6 | O2 | C3 | H48 | 90.0° | 60.0° |
| O2 | C6 | H49 | H50 | 90.0° | 120.0° |
| C5 | C6 | H49 | H50 | 90.0° | 120.0° |
| C6 | C5 | C7 | H51 | 90.0° | 112.4° |
| C7 | C5 | C6 | H49 | 90.0° | 143.4° |
| C7 | C5 | C6 | H50 | 90.0° | 23.4° |
| H41 | C1 | C2 | H43 | 90.0° | 64.9° |
| H41 | C1 | C2 | H44 | 90.0° | 175.0° |
| H42 | C1 | C2 | H43 | 90.0° | 55.1° |
| H42 | C1 | C2 | H44 | 90.0° | 65.0° |
| H45 | C4 | C3 | H47 | 90.0° | 65.0° |
| H45 | C4 | C3 | H48 | 90.0° | 175.0° |
| H46 | C4 | C3 | H47 | 90.0° | 55.0° |
| H46 | C4 | C3 | H48 | 90.0° | 64.9° |
