91W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C11 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | O1 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | O | sing | 1.44Å | 1.42Å | |
| C8 | C12 | sing | 1.55Å | 1.52Å | |
| O | C7 | sing | 1.44Å | 1.44Å | |
| C12 | C13 | sing | 1.55Å | 1.53Å | |
| C7 | C13 | sing | 1.54Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | doub | 1.33Å | 1.31Å | |
| C6 | C14 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.54Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C18 | C1 | sing | 1.52Å | 1.52Å | |
| O3 | C25 | sing | 1.43Å | 1.40Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C1 | C5 | sing | 1.52Å | 1.53Å | |
| C1 | C2 | sing | 1.55Å | 1.55Å | |
| C26 | C21 | sing | 1.48Å | 1.45Å | |
| C26 | C25 | sing | 1.52Å | 1.51Å | |
| C22 | C21 | sing | 1.52Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | doub | 1.35Å | 1.35Å | |
| C5 | C4 | sing | 1.55Å | 1.53Å | |
| C23 | O2 | sing | 1.43Å | 1.42Å | |
| C20 | C19 | sing | 1.46Å | 1.42Å | |
| C16 | C15 | sing | 1.52Å | 1.49Å | |
| C19 | C15 | doub | 1.33Å | 1.34Å | |
| C15 | C2 | sing | 1.50Å | 1.51Å | |
| C4 | C3 | sing | 1.56Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å | |
| C11 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| O1 | H41 | sing | 0.97Å | 0.95Å | |
| C10 | H42 | sing | 1.09Å | 1.10Å | |
| C10 | H43 | sing | 1.09Å | 1.10Å | |
| C10 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C11 | 110.2° | 109.5° |
| C10 | C9 | O1 | 107.1° | 109.5° |
| C10 | C9 | C8 | 110.5° | 109.5° |
| C9 | C10 | H42 | 109.5° | 109.5° |
| C9 | C10 | H43 | 109.5° | 109.5° |
| C9 | C10 | H44 | 109.5° | 109.5° |
| C11 | C9 | O1 | 108.2° | 109.4° |
| C11 | C9 | C8 | 111.0° | 109.5° |
| C9 | C11 | H38 | 109.5° | 109.5° |
| C9 | C11 | H39 | 109.4° | 109.4° |
| C9 | C11 | H40 | 109.5° | 109.5° |
| O1 | C9 | C8 | 109.7° | 109.5° |
| C9 | O1 | H41 | 109.5° | 114.0° |
| C9 | C8 | O | 108.8° | 110.7° |
| C9 | C8 | C12 | 116.4° | 110.6° |
| C9 | C8 | H37 | 108.6° | 110.7° |
| O | C8 | C12 | 104.2° | 103.5° |
| C8 | O | C7 | 102.3° | 107.0° |
| O | C8 | H37 | 110.0° | 110.6° |
| C8 | C12 | C13 | 104.5° | 102.1° |
| C8 | C12 | H35 | 110.7° | 110.9° |
| C8 | C12 | H36 | 110.7° | 110.9° |
| C12 | C8 | H37 | 108.6° | 110.6° |
| O | C7 | C13 | 103.2° | 107.3° |
| O | C7 | C6 | 103.3° | 109.9° |
| O | C7 | H32 | 112.0° | 110.0° |
| C12 | C13 | C7 | 101.7° | 104.2° |
| C12 | C13 | H33 | 111.4° | 110.5° |
| C12 | C13 | H34 | 111.4° | 110.6° |
| C13 | C12 | H35 | 110.7° | 110.9° |
| C13 | C12 | H36 | 110.7° | 110.9° |
| C13 | C7 | C6 | 116.5° | 109.9° |
| C13 | C7 | H32 | 110.9° | 109.9° |
| C7 | C13 | H33 | 111.4° | 110.5° |
| C7 | C13 | H34 | 111.4° | 110.5° |
| C7 | C6 | C14 | 110.7° | 109.5° |
| C7 | C6 | C5 | 111.5° | 109.5° |
| C7 | C6 | H28 | 107.7° | 109.5° |
| C6 | C7 | H32 | 110.6° | 109.9° |
| C | C1 | C18 | 110.5° | 109.3° |
| C | C1 | C5 | 111.1° | 109.3° |
| C | C1 | C2 | 109.8° | 108.4° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C | H21 | 109.5° | 109.4° |
| C1 | C | H22 | 109.5° | 109.5° |
| C27 | C26 | C21 | 120.6° | 121.6° |
| C27 | C26 | C25 | 122.8° | 121.6° |
| C26 | C27 | H9 | 120.0° | 120.0° |
| C26 | C27 | H10 | 120.0° | 120.0° |
| C14 | C6 | C5 | 111.4° | 109.4° |
| C14 | C6 | H28 | 107.8° | 109.4° |
| C6 | C14 | H29 | 109.5° | 109.5° |
| C6 | C14 | H30 | 109.5° | 109.5° |
| C6 | C14 | H31 | 109.5° | 109.5° |
| C6 | C5 | C1 | 119.5° | 110.4° |
| C6 | C5 | C4 | 114.5° | 110.3° |
| C6 | C5 | H23 | 106.1° | 110.4° |
| C5 | C6 | H28 | 107.6° | 109.5° |
| C18 | C17 | C16 | 111.8° | 111.8° |
| C17 | C18 | C1 | 112.7° | 107.7° |
| C18 | C17 | H16 | 108.9° | 109.0° |
| C18 | C17 | H17 | 108.9° | 109.0° |
| C17 | C18 | H18 | 108.7° | 109.8° |
| C17 | C18 | H19 | 108.7° | 109.8° |
| C17 | C16 | C15 | 111.2° | 110.7° |
| C17 | C16 | H14 | 109.0° | 109.2° |
| C17 | C16 | H15 | 109.0° | 109.2° |
| C16 | C17 | H16 | 108.9° | 109.2° |
| C16 | C17 | H17 | 108.9° | 108.8° |
| C18 | C1 | C5 | 117.8° | 118.3° |
| C18 | C1 | C2 | 108.4° | 107.6° |
| C1 | C18 | H18 | 108.7° | 109.6° |
| C1 | C18 | H19 | 108.6° | 110.0° |
| O3 | C25 | C24 | 109.8° | 109.7° |
| O3 | C25 | C26 | 109.5° | 109.7° |
| C25 | O3 | H1 | 109.5° | 114.0° |
| O3 | C25 | H2 | 109.8° | 109.7° |
| C25 | C24 | C23 | 108.5° | 109.8° |
| C24 | C25 | C26 | 111.1° | 108.4° |
| C24 | C25 | H2 | 108.3° | 109.6° |
| C25 | C24 | H3 | 109.7° | 109.4° |
| C25 | C24 | H4 | 109.7° | 109.4° |
| C24 | C23 | C22 | 110.5° | 109.8° |
| C24 | C23 | O2 | 110.1° | 109.5° |
| C23 | C24 | H3 | 109.7° | 109.4° |
| C23 | C24 | H4 | 109.7° | 109.4° |
| C24 | C23 | H5 | 107.9° | 109.4° |
| C5 | C1 | C2 | 98.4° | 103.5° |
| C1 | C5 | C4 | 103.5° | 105.0° |
| C1 | C5 | H23 | 106.1° | 110.3° |
| C1 | C2 | C15 | 107.4° | 105.6° |
| C1 | C2 | C3 | 104.0° | 101.3° |
| C1 | C2 | H13 | 107.1° | 111.4° |
| C21 | C26 | C25 | 116.5° | 116.7° |
| C26 | C21 | C22 | 115.0° | 116.8° |
| C26 | C21 | C20 | 121.0° | 121.5° |
| C26 | C25 | H2 | 108.4° | 109.7° |
| C21 | C22 | C23 | 115.3° | 108.4° |
| C22 | C21 | C20 | 123.7° | 121.7° |
| C21 | C22 | H7 | 108.0° | 109.7° |
| C21 | C22 | H8 | 108.0° | 109.6° |
| C22 | C23 | O2 | 111.2° | 109.4° |
| C22 | C23 | H5 | 107.9° | 109.3° |
| C23 | C22 | H7 | 108.0° | 109.7° |
| C23 | C22 | H8 | 108.0° | 109.7° |
| C21 | C20 | C19 | 129.2° | 120.0° |
| C21 | C20 | H11 | 115.4° | 120.0° |
| C5 | C4 | C3 | 104.0° | 106.2° |
| C4 | C5 | H23 | 106.2° | 110.3° |
| C5 | C4 | H24 | 110.8° | 110.0° |
| C5 | C4 | H25 | 110.8° | 110.0° |
| O2 | C23 | H5 | 109.1° | 109.4° |
| C23 | O2 | H6 | 109.5° | 114.1° |
| C20 | C19 | C15 | 125.4° | 120.0° |
| C19 | C20 | H11 | 115.4° | 120.0° |
| C20 | C19 | H12 | 117.3° | 120.0° |
| C16 | C15 | C19 | 123.5° | 122.4° |
| C16 | C15 | C2 | 109.8° | 115.2° |
| C15 | C16 | H14 | 109.1° | 109.2° |
| C15 | C16 | H15 | 109.1° | 109.2° |
| C19 | C15 | C2 | 126.4° | 122.4° |
| C15 | C19 | H12 | 117.3° | 120.0° |
| C15 | C2 | C3 | 122.6° | 116.7° |
| C15 | C2 | H13 | 107.6° | 110.7° |
| C4 | C3 | C2 | 105.7° | 102.7° |
| C3 | C4 | H24 | 110.8° | 110.3° |
| C3 | C4 | H25 | 110.8° | 110.0° |
| C4 | C3 | H26 | 110.4° | 110.8° |
| C4 | C3 | H27 | 110.4° | 110.8° |
| C3 | C2 | H13 | 107.2° | 110.7° |
| C2 | C3 | H26 | 110.4° | 110.7° |
| C2 | C3 | H27 | 110.4° | 110.8° |
| H3 | C24 | H4 | 109.5° | 109.4° |
| H7 | C22 | H8 | 109.4° | 109.7° |
| H9 | C27 | H10 | 120.0° | 120.0° |
| H14 | C16 | H15 | 109.5° | 109.2° |
| H16 | C17 | H17 | 109.5° | 108.9° |
| H18 | C18 | H19 | 109.4° | 109.9° |
| H20 | C | H21 | 109.5° | 109.4° |
| H20 | C | H22 | 109.5° | 109.5° |
| H21 | C | H22 | 109.4° | 109.5° |
| H24 | C4 | H25 | 109.5° | 110.2° |
| H26 | C3 | H27 | 109.5° | 110.8° |
| H29 | C14 | H30 | 109.5° | 109.5° |
| H29 | C14 | H31 | 109.5° | 109.5° |
| H30 | C14 | H31 | 109.5° | 109.5° |
| H33 | C13 | H34 | 109.5° | 110.4° |
| H35 | C12 | H36 | 109.5° | 110.8° |
| H38 | C11 | H39 | 109.5° | 109.5° |
| H38 | C11 | H40 | 109.5° | 109.5° |
| H39 | C11 | H40 | 109.5° | 109.5° |
| H42 | C10 | H43 | 109.5° | 109.4° |
| H42 | C10 | H44 | 109.5° | 109.5° |
| H43 | C10 | H44 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C11 | O1 | 116.8° | 120.0° |
| C10 | C9 | C11 | C8 | 122.8° | 120.0° |
| C10 | C9 | O1 | C8 | 120.0° | 120.0° |
| C10 | C9 | C8 | O | 177.1° | 58.5° |
| C10 | C9 | C8 | C12 | 65.6° | 55.5° |
| C10 | C9 | C8 | H37 | 57.3° | 178.4° |
| C10 | C9 | C11 | H38 | 180.0° | 60.0° |
| C10 | C9 | C11 | H39 | 60.0° | 60.0° |
| C10 | C9 | C11 | H40 | 60.0° | 180.0° |
| C10 | C9 | O1 | H41 | 180.0° | 180.0° |
| C9 | C10 | H42 | H43 | 120.0° | 119.9° |
| C9 | C10 | H42 | H44 | 120.0° | 120.0° |
| C9 | C10 | H43 | H44 | 120.0° | 120.0° |
| C11 | C9 | O1 | C8 | 121.2° | 120.0° |
| C11 | C9 | C8 | O | 54.6° | 61.5° |
| C11 | C9 | C8 | C12 | 171.8° | 175.6° |
| C11 | C9 | C8 | H37 | 65.2° | 61.6° |
| C9 | C11 | H38 | H39 | 120.0° | 119.9° |
| C9 | C11 | H38 | H40 | 120.0° | 120.0° |
| C9 | C11 | H39 | H40 | 120.0° | 120.0° |
| C11 | C9 | O1 | H41 | 61.2° | 60.0° |
| C11 | C9 | C10 | H42 | 180.0° | 180.0° |
| C11 | C9 | C10 | H43 | 60.0° | 60.1° |
| C11 | C9 | C10 | H44 | 60.0° | 60.0° |
| O1 | C9 | C8 | O | 64.9° | 178.5° |
| O1 | C9 | C8 | C12 | 52.3° | 64.5° |
| O1 | C9 | C8 | H37 | 175.3° | 58.4° |
| O1 | C9 | C11 | H38 | 63.2° | 60.0° |
| O1 | C9 | C11 | H39 | 176.8° | 180.0° |
| O1 | C9 | C11 | H40 | 56.8° | 60.0° |
| O1 | C9 | C10 | H42 | 62.5° | 60.0° |
| O1 | C9 | C10 | H43 | 57.5° | 180.0° |
| O1 | C9 | C10 | H44 | 177.4° | 60.0° |
| C9 | C8 | O | C12 | 124.8° | 118.5° |
| C9 | C8 | O | H37 | 118.9° | 123.1° |
| C9 | C8 | C12 | H37 | 123.0° | 123.0° |
| C9 | C8 | O | C7 | 168.0° | 158.5° |
| C9 | C8 | C12 | C13 | 140.0° | 155.5° |
| C9 | C8 | C12 | H35 | 20.7° | 86.3° |
| C9 | C8 | C12 | H36 | 100.8° | 37.4° |
| C8 | C9 | C11 | H38 | 57.2° | 180.0° |
| C8 | C9 | C11 | H39 | 62.8° | 60.0° |
| C8 | C9 | C11 | H40 | 177.3° | 60.0° |
| C8 | C9 | O1 | H41 | 60.0° | 59.9° |
| C8 | C9 | C10 | H42 | 57.0° | 60.0° |
| C8 | C9 | C10 | H43 | 177.0° | 59.9° |
| C8 | C9 | C10 | H44 | 63.0° | 180.0° |
| O | C8 | C12 | H37 | 117.3° | 118.5° |
| O | C8 | C12 | C13 | 20.2° | 37.0° |
| C8 | O | C7 | C13 | 50.1° | 26.5° |
| C8 | O | C7 | C6 | 171.8° | 145.9° |
| C8 | O | C7 | H32 | 69.2° | 93.0° |
| O | C8 | C12 | H35 | 99.1° | 155.2° |
| O | C8 | C12 | H36 | 139.4° | 81.2° |
| C12 | C8 | O | C7 | 43.2° | 40.0° |
| C8 | C12 | C13 | H35 | 119.2° | 118.2° |
| C8 | C12 | C13 | H36 | 119.2° | 118.2° |
| C8 | C12 | C13 | C7 | 9.4° | 20.8° |
| C8 | C12 | C13 | H33 | 109.4° | 97.8° |
| C8 | C12 | C13 | H34 | 128.1° | 139.6° |
| C8 | C12 | H35 | H36 | 122.3° | 123.7° |
| O | C7 | C13 | C12 | 35.6° | 2.0° |
| O | C7 | C13 | C6 | 112.3° | 119.4° |
| O | C7 | C13 | H32 | 120.0° | 119.5° |
| O | C7 | C6 | H32 | 120.0° | 121.1° |
| O | C7 | C6 | C14 | 66.2° | 177.8° |
| O | C7 | C6 | C5 | 169.2° | 62.2° |
| O | C7 | C6 | H28 | 51.4° | 57.9° |
| O | C7 | C13 | H33 | 83.1° | 120.7° |
| O | C7 | C13 | H34 | 154.4° | 116.8° |
| C7 | O | C8 | H37 | 73.0° | 78.4° |
| C12 | C13 | C7 | H33 | 118.7° | 118.6° |
| C12 | C13 | C7 | H34 | 118.8° | 118.9° |
| C12 | C13 | C7 | C6 | 148.0° | 121.5° |
| C12 | C13 | C7 | H32 | 84.4° | 117.5° |
| C12 | C13 | H33 | H34 | 123.6° | 122.7° |
| C13 | C12 | H35 | H36 | 122.3° | 123.6° |
| C13 | C12 | C8 | H37 | 97.1° | 81.5° |
| C13 | C7 | C6 | H32 | 127.8° | 121.1° |
| C13 | C7 | C6 | C14 | 46.1° | 60.0° |
| C13 | C7 | C6 | C5 | 78.5° | 180.0° |
| C13 | C7 | C6 | H28 | 163.7° | 59.9° |
| C7 | C13 | H33 | H34 | 123.6° | 122.5° |
| C7 | C13 | C12 | H35 | 128.6° | 139.1° |
| C7 | C13 | C12 | H36 | 109.8° | 97.4° |
| C7 | C6 | C14 | C5 | 124.6° | 120.0° |
| C7 | C6 | C14 | H28 | 117.6° | 120.0° |
| C7 | C6 | C5 | H28 | 117.9° | 120.0° |
| C7 | C6 | C5 | C1 | 75.4° | 180.0° |
| C7 | C6 | C5 | C4 | 48.2° | 64.4° |
| C7 | C6 | C5 | H23 | 165.0° | 57.8° |
| C7 | C6 | C14 | H29 | 180.0° | 180.0° |
| C7 | C6 | C14 | H30 | 60.0° | 60.0° |
| C7 | C6 | C14 | H31 | 60.0° | 60.0° |
| C6 | C7 | C13 | H33 | 29.2° | 119.9° |
| C6 | C7 | C13 | H34 | 93.3° | 2.6° |
| C | C1 | C5 | C6 | 62.3° | 33.6° |
| C | C1 | C18 | C17 | 64.6° | 49.7° |
| C | C1 | C18 | C5 | 129.2° | 125.9° |
| C | C1 | C18 | C2 | 120.3° | 117.5° |
| C | C1 | C5 | C2 | 115.1° | 115.3° |
| C | C1 | C5 | C4 | 66.4° | 85.2° |
| C | C1 | C2 | C15 | 58.8° | 51.7° |
| C | C1 | C2 | C3 | 72.5° | 70.4° |
| C | C1 | C2 | H13 | 174.1° | 171.9° |
| C | C1 | C18 | H18 | 174.9° | 169.2° |
| C | C1 | C18 | H19 | 55.9° | 69.9° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H22 | 120.0° | 120.1° |
| C1 | C | H21 | H22 | 120.0° | 120.1° |
| C | C1 | C5 | H23 | 178.0° | 155.9° |
| C27 | C26 | C25 | O3 | 7.5° | 106.9° |
| C27 | C26 | C25 | C24 | 128.9° | 133.3° |
| C27 | C26 | C21 | C25 | 178.4° | 179.9° |
| C27 | C26 | C21 | C22 | 140.3° | 136.8° |
| C27 | C26 | C21 | C20 | 32.5° | 43.1° |
| C27 | C26 | C25 | H2 | 112.2° | 13.6° |
| C26 | C27 | H9 | H10 | 180.0° | 179.9° |
| C14 | C6 | C5 | H28 | 117.9° | 120.0° |
| C14 | C6 | C5 | C1 | 160.4° | 60.0° |
| C14 | C6 | C5 | C4 | 76.0° | 175.6° |
| C14 | C6 | C5 | H23 | 40.8° | 62.2° |
| C6 | C14 | H29 | H30 | 120.0° | 120.0° |
| C6 | C14 | H29 | H31 | 120.0° | 120.0° |
| C6 | C14 | H30 | H31 | 120.0° | 120.0° |
| C14 | C6 | C7 | H32 | 173.8° | 61.0° |
| C6 | C5 | C1 | C18 | 66.6° | 92.2° |
| C6 | C5 | C1 | C4 | 128.8° | 118.9° |
| C6 | C5 | C1 | H23 | 119.6° | 122.2° |
| C6 | C5 | C1 | C2 | 177.4° | 148.9° |
| C6 | C5 | C4 | H23 | 116.7° | 122.2° |
| C6 | C5 | C4 | C3 | 167.0° | 122.7° |
| C6 | C5 | C4 | H24 | 73.8° | 117.9° |
| C6 | C5 | C4 | H25 | 47.9° | 3.7° |
| C5 | C6 | C14 | H29 | 55.4° | 60.0° |
| C5 | C6 | C14 | H30 | 175.4° | 180.0° |
| C5 | C6 | C14 | H31 | 64.6° | 60.0° |
| C5 | C6 | C7 | H32 | 49.2° | 58.9° |
| C18 | C17 | C16 | H16 | 120.4° | 120.7° |
| C18 | C17 | C16 | H17 | 120.3° | 120.5° |
| C17 | C18 | C1 | H18 | 120.5° | 119.4° |
| C17 | C18 | C1 | H19 | 120.5° | 119.7° |
| C17 | C18 | C1 | C5 | 166.2° | 175.6° |
| C17 | C18 | C1 | C2 | 55.7° | 67.7° |
| C18 | C17 | C16 | C15 | 52.0° | 48.6° |
| C18 | C17 | C16 | H14 | 172.2° | 71.7° |
| C18 | C17 | C16 | H15 | 68.3° | 168.9° |
| C18 | C17 | H16 | H17 | 118.9° | 118.9° |
| C17 | C18 | H18 | H19 | 118.5° | 120.9° |
| C16 | C17 | C18 | C1 | 50.7° | 58.8° |
| C17 | C16 | C15 | H14 | 120.2° | 120.3° |
| C17 | C16 | C15 | H15 | 120.3° | 120.3° |
| C17 | C16 | C15 | C19 | 114.2° | 129.7° |
| C17 | C16 | C15 | C2 | 60.3° | 50.4° |
| C17 | C16 | H14 | H15 | 119.2° | 119.4° |
| C16 | C17 | H16 | H17 | 118.9° | 118.7° |
| C16 | C17 | C18 | H18 | 69.8° | 60.5° |
| C16 | C17 | C18 | H19 | 171.2° | 178.6° |
| C18 | C1 | C5 | C2 | 116.0° | 118.8° |
| C18 | C1 | C5 | C4 | 164.7° | 148.9° |
| C18 | C1 | C2 | C15 | 62.0° | 66.3° |
| C18 | C1 | C2 | C3 | 166.7° | 171.6° |
| C18 | C1 | C2 | H13 | 53.3° | 53.8° |
| C1 | C18 | C17 | H16 | 69.6° | 179.6° |
| C1 | C18 | C17 | H17 | 171.1° | 61.5° |
| C1 | C18 | H18 | H19 | 118.5° | 121.0° |
| C18 | C1 | C | H20 | 180.0° | 59.3° |
| C18 | C1 | C | H21 | 60.0° | 179.3° |
| C18 | C1 | C | H22 | 60.0° | 60.7° |
| C18 | C1 | C5 | H23 | 53.1° | 30.0° |
| O3 | C25 | C24 | C26 | 121.2° | 119.7° |
| O3 | C25 | C24 | H2 | 119.9° | 120.6° |
| O3 | C25 | C24 | C23 | 179.5° | 62.0° |
| O3 | C25 | C26 | C21 | 170.9° | 73.2° |
| O3 | C25 | C26 | H2 | 119.8° | 120.6° |
| O3 | C25 | C24 | H3 | 59.6° | 177.9° |
| O3 | C25 | C24 | H4 | 60.7° | 58.0° |
| C25 | C24 | C23 | H3 | 119.9° | 120.1° |
| C25 | C24 | C23 | H4 | 119.9° | 120.1° |
| C24 | C25 | C26 | C21 | 49.5° | 46.6° |
| C24 | C25 | C26 | H2 | 118.8° | 119.7° |
| C25 | C24 | C23 | C22 | 59.6° | 66.2° |
| C25 | C24 | C23 | O2 | 63.6° | 173.6° |
| C24 | C25 | O3 | H1 | 180.0° | 179.5° |
| C25 | C24 | H3 | H4 | 120.4° | 119.9° |
| C25 | C24 | C23 | H5 | 177.4° | 53.8° |
| C23 | C24 | C25 | C26 | 59.3° | 57.7° |
| C24 | C23 | C22 | C21 | 49.8° | 57.7° |
| C24 | C23 | C22 | O2 | 122.6° | 120.2° |
| C24 | C23 | C22 | H5 | 117.7° | 120.1° |
| C24 | C23 | O2 | H5 | 118.3° | 119.9° |
| C23 | C24 | C25 | H2 | 59.6° | 177.4° |
| C23 | C24 | H3 | H4 | 120.4° | 119.8° |
| C24 | C23 | O2 | H6 | 180.0° | 180.0° |
| C24 | C23 | C22 | H7 | 71.1° | 62.0° |
| C24 | C23 | C22 | H8 | 170.7° | 177.4° |
| C1 | C5 | C4 | H23 | 111.5° | 118.9° |
| C5 | C1 | C2 | C15 | 174.8° | 167.7° |
| C1 | C5 | C4 | C3 | 35.3° | 3.8° |
| C5 | C1 | C2 | C3 | 43.5° | 45.6° |
| C5 | C1 | C2 | H13 | 69.8° | 72.2° |
| C5 | C1 | C18 | H18 | 45.7° | 65.0° |
| C5 | C1 | C18 | H19 | 73.3° | 55.9° |
| C5 | C1 | C | H20 | 47.3° | 169.8° |
| C5 | C1 | C | H21 | 72.7° | 49.8° |
| C5 | C1 | C | H22 | 167.3° | 70.2° |
| C1 | C5 | C4 | H24 | 154.4° | 123.2° |
| C1 | C5 | C4 | H25 | 83.8° | 115.2° |
| C1 | C5 | C6 | H28 | 42.5° | 60.0° |
| C2 | C1 | C5 | C4 | 48.6° | 30.1° |
| C1 | C2 | C15 | C16 | 65.1° | 58.3° |
| C1 | C2 | C15 | C19 | 109.1° | 121.8° |
| C1 | C2 | C15 | C3 | 120.1° | 111.5° |
| C1 | C2 | C15 | H13 | 115.0° | 120.6° |
| C1 | C2 | C3 | C4 | 22.9° | 42.2° |
| C1 | C2 | C3 | H13 | 113.3° | 118.2° |
| C2 | C1 | C18 | H18 | 64.8° | 51.7° |
| C2 | C1 | C18 | H19 | 176.2° | 172.6° |
| C2 | C1 | C | H20 | 60.5° | 57.6° |
| C2 | C1 | C | H21 | 179.5° | 62.3° |
| C2 | C1 | C | H22 | 59.5° | 177.7° |
| C2 | C1 | C5 | H23 | 63.0° | 88.8° |
| C1 | C2 | C3 | H26 | 142.3° | 76.1° |
| C1 | C2 | C3 | H27 | 96.4° | 160.6° |
| C26 | C21 | C22 | C20 | 172.6° | 179.9° |
| C26 | C21 | C22 | C23 | 38.4° | 46.6° |
| C26 | C21 | C20 | C19 | 10.1° | 0.1° |
| C21 | C26 | C25 | H2 | 69.3° | 166.3° |
| C26 | C21 | C22 | H7 | 82.5° | 73.1° |
| C26 | C21 | C22 | H8 | 159.3° | 166.3° |
| C21 | C26 | C27 | H9 | 178.4° | 0.1° |
| C21 | C26 | C27 | H10 | 1.7° | 180.0° |
| C26 | C21 | C20 | H11 | 169.9° | 179.9° |
| C25 | C26 | C21 | C22 | 38.1° | 43.1° |
| C25 | C26 | C21 | C20 | 149.1° | 137.0° |
| C26 | C25 | O3 | H1 | 57.8° | 60.6° |
| C26 | C25 | C24 | H3 | 179.2° | 62.4° |
| C26 | C25 | C24 | H4 | 60.6° | 177.8° |
| C25 | C26 | C27 | H9 | 0.0° | 179.9° |
| C25 | C26 | C27 | H10 | 180.0° | 0.1° |
| C21 | C22 | C23 | H7 | 120.9° | 119.7° |
| C21 | C22 | C23 | H8 | 120.9° | 119.7° |
| C21 | C22 | C23 | O2 | 72.8° | 177.9° |
| C22 | C21 | C20 | C19 | 177.8° | 180.0° |
| C21 | C22 | C23 | H5 | 167.6° | 62.4° |
| C21 | C22 | H7 | H8 | 117.3° | 120.5° |
| C22 | C21 | C20 | H11 | 2.2° | 0.0° |
| C23 | C22 | C21 | C20 | 149.0° | 133.5° |
| C22 | C23 | O2 | H5 | 118.9° | 119.8° |
| C22 | C23 | C24 | H3 | 179.5° | 53.9° |
| C22 | C23 | C24 | H4 | 60.2° | 173.7° |
| C22 | C23 | O2 | H6 | 57.2° | 59.7° |
| C23 | C22 | H7 | H8 | 117.3° | 120.6° |
| C21 | C20 | C19 | H11 | 180.0° | 180.0° |
| C21 | C20 | C19 | C15 | 175.0° | 180.0° |
| C20 | C21 | C22 | H7 | 90.1° | 106.8° |
| C20 | C21 | C22 | H8 | 28.2° | 13.8° |
| C21 | C20 | C19 | H12 | 5.0° | 0.0° |
| C5 | C4 | C3 | H24 | 119.1° | 119.2° |
| C5 | C4 | C3 | H25 | 119.1° | 119.0° |
| C5 | C4 | C3 | C2 | 7.3° | 24.3° |
| C5 | C4 | H24 | H25 | 122.6° | 121.5° |
| C5 | C4 | C3 | H26 | 112.1° | 94.0° |
| C5 | C4 | C3 | H27 | 126.7° | 142.6° |
| C4 | C5 | C6 | H28 | 166.1° | 55.6° |
| O2 | C23 | C24 | H3 | 56.3° | 66.2° |
| O2 | C23 | C24 | H4 | 176.5° | 53.6° |
| O2 | C23 | C22 | H7 | 166.3° | 58.1° |
| O2 | C23 | C22 | H8 | 48.1° | 62.5° |
| C20 | C19 | C15 | C16 | 8.4° | 0.2° |
| C20 | C19 | C15 | H12 | 180.0° | 180.0° |
| C20 | C19 | C15 | C2 | 178.1° | 180.0° |
| C16 | C15 | C19 | C2 | 173.5° | 179.8° |
| C16 | C15 | C2 | C3 | 174.8° | 169.9° |
| C16 | C15 | C19 | H12 | 171.6° | 179.7° |
| C16 | C15 | C2 | H13 | 49.9° | 62.3° |
| C15 | C16 | H14 | H15 | 119.3° | 119.3° |
| C15 | C16 | C17 | H16 | 68.4° | 169.3° |
| C15 | C16 | C17 | H17 | 172.3° | 71.9° |
| C19 | C15 | C2 | C3 | 11.0° | 10.3° |
| C15 | C19 | C20 | H11 | 5.0° | 0.0° |
| C19 | C15 | C2 | H13 | 135.9° | 117.5° |
| C19 | C15 | C16 | H14 | 6.1° | 109.9° |
| C19 | C15 | C16 | H15 | 125.6° | 9.4° |
| C15 | C2 | C3 | C4 | 144.7° | 156.2° |
| C15 | C2 | C3 | H13 | 125.0° | 127.8° |
| C2 | C15 | C19 | H12 | 1.9° | 0.1° |
| C2 | C15 | C16 | H14 | 179.5° | 69.9° |
| C2 | C15 | C16 | H15 | 60.0° | 170.8° |
| C15 | C2 | C3 | H26 | 95.9° | 37.9° |
| C15 | C2 | C3 | H27 | 25.3° | 85.4° |
| C4 | C3 | C2 | H26 | 119.4° | 118.3° |
| C4 | C3 | C2 | H27 | 119.4° | 118.4° |
| C4 | C3 | C2 | H13 | 90.3° | 76.0° |
| C3 | C4 | C5 | H23 | 76.3° | 115.1° |
| C3 | C4 | H24 | H25 | 122.6° | 121.6° |
| C4 | C3 | H26 | H27 | 121.8° | 123.5° |
| C2 | C3 | C4 | H24 | 126.4° | 94.9° |
| C2 | C3 | C4 | H25 | 111.8° | 143.3° |
| C2 | C3 | H26 | H27 | 121.8° | 123.3° |
| H1 | O3 | C25 | H2 | 61.1° | 60.0° |
| H2 | C25 | C24 | H3 | 60.3° | 57.3° |
| H2 | C25 | C24 | H4 | 179.4° | 62.5° |
| H3 | C24 | C23 | H5 | 62.8° | 173.9° |
| H4 | C24 | C23 | H5 | 57.5° | 66.3° |
| H5 | C23 | O2 | H6 | 61.7° | 60.1° |
| H5 | C23 | C22 | H7 | 46.7° | 177.9° |
| H5 | C23 | C22 | H8 | 71.6° | 57.3° |
| H11 | C20 | C19 | H12 | 175.0° | 180.0° |
| H13 | C2 | C3 | H26 | 29.1° | 165.7° |
| H13 | C2 | C3 | H27 | 150.3° | 42.4° |
| H14 | C16 | C17 | H16 | 51.9° | 49.0° |
| H14 | C16 | C17 | H17 | 67.4° | 167.8° |
| H15 | C16 | C17 | H16 | 171.3° | 70.4° |
| H15 | C16 | C17 | H17 | 52.0° | 48.4° |
| H16 | C17 | C18 | H18 | 169.9° | 60.4° |
| H16 | C17 | C18 | H19 | 50.9° | 60.6° |
| H17 | C17 | C18 | H18 | 50.6° | 179.2° |
| H17 | C17 | C18 | H19 | 68.4° | 58.2° |
| H20 | C | H21 | H22 | 120.0° | 120.0° |
| H23 | C5 | C4 | H24 | 42.9° | 4.3° |
| H23 | C5 | C4 | H25 | 164.6° | 125.9° |
| H23 | C5 | C6 | H28 | 77.1° | 177.8° |
| H24 | C4 | C3 | H26 | 7.0° | 146.8° |
| H24 | C4 | C3 | H27 | 114.2° | 23.4° |
| H25 | C4 | C3 | H26 | 128.8° | 25.1° |
| H25 | C4 | C3 | H27 | 7.6° | 98.4° |
| H28 | C6 | C14 | H29 | 62.4° | 60.0° |
| H28 | C6 | C14 | H30 | 57.6° | 60.0° |
| H28 | C6 | C14 | H31 | 177.6° | 180.0° |
| H28 | C6 | C7 | H32 | 68.6° | 179.0° |
| H29 | C14 | H30 | H31 | 120.0° | 120.0° |
| H32 | C7 | C13 | H33 | 156.9° | 1.2° |
| H32 | C7 | C13 | H34 | 34.4° | 123.7° |
| H33 | C13 | C12 | H35 | 9.8° | 20.4° |
| H33 | C13 | C12 | H36 | 131.4° | 144.0° |
| H34 | C13 | C12 | H35 | 112.7° | 102.2° |
| H34 | C13 | C12 | H36 | 8.9° | 21.4° |
| H35 | C12 | C8 | H37 | 143.7° | 36.7° |
| H36 | C12 | C8 | H37 | 22.1° | 160.3° |
| H38 | C11 | H39 | H40 | 120.0° | 120.1° |
| H42 | C10 | H43 | H44 | 120.0° | 120.0° |
