41W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.54Å | 1.51Å | |
| C3 | C4 | sing | 1.52Å | 1.50Å | |
| C1 | C6 | sing | 1.51Å | 1.52Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C19 | C6 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C10 | C4 | doub | 1.33Å | 1.38Å | |
| C10 | C11 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.50Å | 1.49Å | |
| C6 | C5 | sing | 1.55Å | 1.54Å | |
| C6 | C9 | sing | 1.52Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | O22 | sing | 1.43Å | 1.41Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | O29 | sing | 1.43Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | doub | 1.33Å | 1.35Å | |
| C12 | C17 | sing | 1.51Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C20 | C9 | sing | 1.53Å | 1.57Å | |
| C20 | C23 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.55Å | 1.56Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.56Å | 1.51Å | |
| C16 | O18 | sing | 1.43Å | 1.43Å | |
| O29 | H1 | sing | 0.97Å | 0.95Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C10 | H33 | sing | 1.08Å | 1.08Å | |
| C11 | H34 | sing | 1.08Å | 1.08Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| O18 | H38 | sing | 0.97Å | 0.95Å | |
| C15 | H39 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| O22 | H42 | sing | 0.97Å | 0.95Å | |
| C13 | H43 | sing | 1.09Å | 1.10Å | |
| C13 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 110.2° | 111.8° |
| C2 | C3 | C4 | 107.2° | 110.7° |
| C2 | C3 | H29 | 110.1° | 109.2° |
| C2 | C3 | H30 | 110.0° | 109.2° |
| C3 | C2 | H31 | 109.3° | 109.0° |
| C3 | C2 | H32 | 109.3° | 109.0° |
| C2 | C1 | C6 | 106.6° | 107.6° |
| C2 | C1 | H22 | 110.2° | 109.8° |
| C2 | C1 | H23 | 110.2° | 109.9° |
| C1 | C2 | H31 | 109.3° | 109.0° |
| C1 | C2 | H32 | 109.3° | 109.0° |
| C3 | C4 | C10 | 115.5° | 122.4° |
| C3 | C4 | C5 | 110.3° | 115.2° |
| C4 | C3 | H29 | 110.0° | 109.2° |
| C4 | C3 | H30 | 110.0° | 109.2° |
| C1 | C6 | C19 | 111.7° | 108.8° |
| C1 | C6 | C5 | 109.1° | 107.6° |
| C1 | C6 | C9 | 111.9° | 118.4° |
| C6 | C1 | H22 | 110.2° | 109.8° |
| C6 | C1 | H23 | 110.2° | 109.8° |
| C28 | C26 | C27 | 113.1° | 109.5° |
| C28 | C26 | C25 | 110.9° | 109.4° |
| C28 | C26 | O29 | 110.3° | 109.5° |
| C26 | C28 | H5 | 109.5° | 109.4° |
| C26 | C28 | H6 | 109.5° | 109.5° |
| C26 | C28 | H7 | 109.5° | 109.5° |
| C19 | C6 | C5 | 112.7° | 109.2° |
| C19 | C6 | C9 | 109.6° | 109.2° |
| C6 | C19 | H19 | 109.5° | 109.5° |
| C6 | C19 | H20 | 109.5° | 109.5° |
| C6 | C19 | H21 | 109.4° | 109.4° |
| C14 | C13 | C12 | 113.3° | 108.8° |
| C13 | C14 | C15 | 112.4° | 109.5° |
| C13 | C14 | O22 | 112.9° | 109.5° |
| C13 | C14 | H41 | 108.5° | 109.4° |
| C14 | C13 | H43 | 108.5° | 109.6° |
| C14 | C13 | H44 | 108.5° | 109.7° |
| C13 | C12 | C11 | 124.3° | 120.9° |
| C13 | C12 | C17 | 117.4° | 118.3° |
| C12 | C13 | H43 | 108.5° | 109.7° |
| C12 | C13 | H44 | 108.5° | 109.3° |
| C4 | C10 | C11 | 122.5° | 120.0° |
| C10 | C4 | C5 | 134.2° | 122.4° |
| C4 | C10 | H33 | 118.7° | 120.0° |
| C10 | C11 | C12 | 122.7° | 120.0° |
| C11 | C10 | H33 | 118.7° | 120.0° |
| C10 | C11 | H34 | 118.7° | 120.0° |
| C4 | C5 | C6 | 111.6° | 105.5° |
| C4 | C5 | C7 | 128.3° | 116.7° |
| C4 | C5 | H28 | 103.9° | 111.1° |
| C5 | C6 | C9 | 101.5° | 103.2° |
| C6 | C5 | C7 | 103.6° | 101.3° |
| C6 | C5 | H28 | 103.4° | 110.9° |
| C6 | C9 | C20 | 118.5° | 110.3° |
| C6 | C9 | C8 | 105.1° | 105.1° |
| C6 | C9 | H18 | 105.8° | 110.4° |
| C15 | C14 | O22 | 104.1° | 109.5° |
| C14 | C15 | C16 | 110.3° | 109.8° |
| C14 | C15 | H39 | 109.2° | 109.4° |
| C14 | C15 | H40 | 109.3° | 109.3° |
| C15 | C14 | H41 | 108.6° | 109.5° |
| O22 | C14 | H41 | 110.2° | 109.5° |
| C14 | O22 | H42 | 109.5° | 114.0° |
| C27 | C26 | C25 | 108.1° | 109.5° |
| C27 | C26 | O29 | 107.0° | 109.5° |
| C26 | C27 | H2 | 109.5° | 109.5° |
| C26 | C27 | H3 | 109.5° | 109.5° |
| C26 | C27 | H4 | 109.4° | 109.4° |
| C25 | C26 | O29 | 107.1° | 109.4° |
| C26 | C25 | C24 | 114.4° | 109.5° |
| C26 | C25 | H8 | 108.3° | 109.5° |
| C26 | C25 | H9 | 108.2° | 109.5° |
| C26 | O29 | H1 | 109.5° | 113.9° |
| C25 | C24 | C23 | 110.0° | 109.5° |
| C24 | C25 | H8 | 108.2° | 109.5° |
| C24 | C25 | H9 | 108.2° | 109.4° |
| C25 | C24 | H10 | 109.3° | 109.5° |
| C25 | C24 | H11 | 109.3° | 109.5° |
| C11 | C12 | C17 | 118.3° | 120.8° |
| C12 | C11 | H34 | 118.7° | 120.0° |
| C12 | C17 | C16 | 118.1° | 108.5° |
| C12 | C17 | H35 | 107.3° | 109.6° |
| C12 | C17 | H36 | 107.3° | 109.6° |
| C5 | C7 | C8 | 105.3° | 102.8° |
| C5 | C7 | H26 | 110.5° | 110.8° |
| C5 | C7 | H27 | 110.5° | 110.9° |
| C7 | C5 | H28 | 103.3° | 110.7° |
| C24 | C23 | C20 | 113.0° | 109.5° |
| C23 | C24 | H10 | 109.3° | 109.5° |
| C23 | C24 | H11 | 109.3° | 109.5° |
| C24 | C23 | H12 | 108.6° | 109.5° |
| C24 | C23 | H13 | 108.6° | 109.5° |
| C9 | C20 | C23 | 121.6° | 109.5° |
| C9 | C20 | C21 | 108.4° | 109.5° |
| C20 | C9 | C8 | 116.0° | 110.3° |
| C9 | C20 | H14 | 106.9° | 109.5° |
| C20 | C9 | H18 | 105.2° | 110.3° |
| C23 | C20 | C21 | 104.5° | 109.4° |
| C20 | C23 | H12 | 108.6° | 109.5° |
| C20 | C23 | H13 | 108.6° | 109.5° |
| C23 | C20 | H14 | 107.2° | 109.5° |
| C21 | C20 | H14 | 107.6° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C15 | C16 | C17 | 110.9° | 109.4° |
| C15 | C16 | O18 | 114.5° | 109.5° |
| C15 | C16 | H37 | 109.9° | 109.5° |
| C16 | C15 | H39 | 109.3° | 109.5° |
| C16 | C15 | H40 | 109.2° | 109.4° |
| C9 | C8 | C7 | 106.4° | 106.3° |
| C8 | C9 | H18 | 105.3° | 110.3° |
| C9 | C8 | H24 | 110.2° | 110.1° |
| C9 | C8 | H25 | 110.2° | 110.1° |
| C17 | C16 | O18 | 99.8° | 109.5° |
| C16 | C17 | H35 | 107.3° | 109.7° |
| C16 | C17 | H36 | 107.3° | 109.6° |
| C17 | C16 | H37 | 109.9° | 109.4° |
| C7 | C8 | H24 | 110.2° | 110.1° |
| C7 | C8 | H25 | 110.3° | 110.1° |
| C8 | C7 | H26 | 110.5° | 110.7° |
| C8 | C7 | H27 | 110.5° | 110.8° |
| O18 | C16 | H37 | 111.4° | 109.5° |
| C16 | O18 | H38 | 109.5° | 113.9° |
| H2 | C27 | H3 | 109.5° | 109.5° |
| H2 | C27 | H4 | 109.5° | 109.5° |
| H3 | C27 | H4 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H5 | C28 | H7 | 109.5° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H8 | C25 | H9 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H22 | C1 | H23 | 109.4° | 109.8° |
| H24 | C8 | H25 | 109.5° | 110.1° |
| H26 | C7 | H27 | 109.5° | 110.7° |
| H29 | C3 | H30 | 109.5° | 109.2° |
| H31 | C2 | H32 | 109.5° | 108.9° |
| H35 | C17 | H36 | 109.5° | 109.8° |
| H39 | C15 | H40 | 109.5° | 109.4° |
| H43 | C13 | H44 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H31 | 120.1° | 120.6° |
| C3 | C2 | C1 | H32 | 120.1° | 120.6° |
| C2 | C3 | C4 | H29 | 119.7° | 120.3° |
| C2 | C3 | C4 | H30 | 119.6° | 120.3° |
| C3 | C2 | C1 | C6 | 64.5° | 59.1° |
| C2 | C3 | C4 | C10 | 120.7° | 129.8° |
| C2 | C3 | C4 | C5 | 59.1° | 50.2° |
| C3 | C2 | C1 | H22 | 55.1° | 178.5° |
| C3 | C2 | C1 | H23 | 175.9° | 60.5° |
| C2 | C3 | H29 | H30 | 121.0° | 119.4° |
| C3 | C2 | H31 | H32 | 119.6° | 118.9° |
| C1 | C2 | C3 | C4 | 64.0° | 48.6° |
| C2 | C1 | C6 | H22 | 119.6° | 119.5° |
| C2 | C1 | C6 | H23 | 119.6° | 119.6° |
| C2 | C1 | C6 | C19 | 65.3° | 50.1° |
| C2 | C1 | C6 | C5 | 59.9° | 68.1° |
| C2 | C1 | C6 | C9 | 171.4° | 175.6° |
| C2 | C1 | H22 | H23 | 121.3° | 121.0° |
| C1 | C2 | C3 | H29 | 176.3° | 71.7° |
| C1 | C2 | C3 | H30 | 55.6° | 168.9° |
| C1 | C2 | H31 | H32 | 119.7° | 118.9° |
| C3 | C4 | C10 | C5 | 179.7° | 180.0° |
| C3 | C4 | C10 | C11 | 176.7° | 163.5° |
| C3 | C4 | C5 | C6 | 58.1° | 58.1° |
| C3 | C4 | C5 | C7 | 172.6° | 169.6° |
| C3 | C4 | C5 | H28 | 52.8° | 62.2° |
| C4 | C3 | H29 | H30 | 121.1° | 119.4° |
| C4 | C3 | C2 | H31 | 175.9° | 72.0° |
| C4 | C3 | C2 | H32 | 56.1° | 169.2° |
| C3 | C4 | C10 | H33 | 3.3° | 16.5° |
| C1 | C6 | C19 | C5 | 123.2° | 117.2° |
| C1 | C6 | C19 | C9 | 124.6° | 130.6° |
| C1 | C6 | C5 | C4 | 58.1° | 66.5° |
| C1 | C6 | C5 | C9 | 118.2° | 125.9° |
| C1 | C6 | C5 | C7 | 160.5° | 171.5° |
| C1 | C6 | C9 | C20 | 74.0° | 92.2° |
| C1 | C6 | C9 | C8 | 154.6° | 148.9° |
| C1 | C6 | C9 | H18 | 43.5° | 30.0° |
| C1 | C6 | C19 | H19 | 180.0° | 174.7° |
| C1 | C6 | C19 | H20 | 60.0° | 54.7° |
| C1 | C6 | C19 | H21 | 60.0° | 65.3° |
| C6 | C1 | H22 | H23 | 121.4° | 120.9° |
| C1 | C6 | C5 | H28 | 53.0° | 53.9° |
| C6 | C1 | C2 | H31 | 175.4° | 61.5° |
| C6 | C1 | C2 | H32 | 55.6° | 179.7° |
| C28 | C26 | C27 | C25 | 123.2° | 120.0° |
| C28 | C26 | C27 | O29 | 121.7° | 120.0° |
| C28 | C26 | C25 | O29 | 120.4° | 120.0° |
| C28 | C26 | C25 | C24 | 66.3° | 175.0° |
| C28 | C26 | O29 | H1 | 180.0° | 60.0° |
| C28 | C26 | C27 | H2 | 180.0° | 180.0° |
| C28 | C26 | C27 | H3 | 60.0° | 60.0° |
| C28 | C26 | C27 | H4 | 60.0° | 60.0° |
| C26 | C28 | H5 | H6 | 120.0° | 120.0° |
| C26 | C28 | H5 | H7 | 120.0° | 119.9° |
| C26 | C28 | H6 | H7 | 120.0° | 120.0° |
| C28 | C26 | C25 | H8 | 173.0° | 55.0° |
| C28 | C26 | C25 | H9 | 54.5° | 65.0° |
| C19 | C6 | C5 | C4 | 66.5° | 51.5° |
| C19 | C6 | C5 | C9 | 117.1° | 116.1° |
| C19 | C6 | C5 | C7 | 74.9° | 70.6° |
| C19 | C6 | C9 | C20 | 50.5° | 33.0° |
| C19 | C6 | C9 | C8 | 80.9° | 85.9° |
| C19 | C6 | C9 | H18 | 168.0° | 155.2° |
| C6 | C19 | H19 | H20 | 120.0° | 120.1° |
| C6 | C19 | H19 | H21 | 120.0° | 120.0° |
| C6 | C19 | H20 | H21 | 120.0° | 120.0° |
| C19 | C6 | C1 | H22 | 175.1° | 69.3° |
| C19 | C6 | C1 | H23 | 54.2° | 169.8° |
| C19 | C6 | C5 | H28 | 177.6° | 171.9° |
| C14 | C13 | C12 | H43 | 120.6° | 119.9° |
| C14 | C13 | C12 | H44 | 120.6° | 119.7° |
| C13 | C14 | C15 | O22 | 122.5° | 120.1° |
| C13 | C14 | C15 | H41 | 120.1° | 119.9° |
| C13 | C14 | O22 | H41 | 121.6° | 119.9° |
| C14 | C13 | C12 | C11 | 143.8° | 128.7° |
| C14 | C13 | C12 | C17 | 35.5° | 51.1° |
| C13 | C14 | C15 | C16 | 60.1° | 63.5° |
| C13 | C14 | C15 | H39 | 60.0° | 56.7° |
| C13 | C14 | C15 | H40 | 179.8° | 176.5° |
| C13 | C14 | O22 | H42 | 180.0° | 60.0° |
| C14 | C13 | H43 | H44 | 118.3° | 120.5° |
| C13 | C12 | C11 | C10 | 6.7° | 5.8° |
| C12 | C13 | C14 | C15 | 49.8° | 54.4° |
| C12 | C13 | C14 | O22 | 67.6° | 174.4° |
| C13 | C12 | C11 | C17 | 179.3° | 179.7° |
| C13 | C12 | C17 | C16 | 32.7° | 51.1° |
| C13 | C12 | C11 | H34 | 173.4° | 174.2° |
| C13 | C12 | C17 | H35 | 153.9° | 68.6° |
| C13 | C12 | C17 | H36 | 88.5° | 170.8° |
| C12 | C13 | C14 | H41 | 169.9° | 65.6° |
| C12 | C13 | H43 | H44 | 118.2° | 120.1° |
| C4 | C10 | C11 | H33 | 180.0° | 180.0° |
| C10 | C4 | C5 | C6 | 121.7° | 121.9° |
| C4 | C10 | C11 | C12 | 171.4° | 174.0° |
| C10 | C4 | C5 | C7 | 7.7° | 10.4° |
| C10 | C4 | C5 | H28 | 127.5° | 117.8° |
| C10 | C4 | C3 | H29 | 1.0° | 109.9° |
| C10 | C4 | C3 | H30 | 119.7° | 9.5° |
| C4 | C10 | C11 | H34 | 8.6° | 6.0° |
| C11 | C10 | C4 | C5 | 3.0° | 16.5° |
| C10 | C11 | C12 | H34 | 180.0° | 180.0° |
| C10 | C11 | C12 | C17 | 174.0° | 174.5° |
| C4 | C5 | C6 | C7 | 141.4° | 122.0° |
| C4 | C5 | C6 | H28 | 111.1° | 120.4° |
| C4 | C5 | C6 | C9 | 176.4° | 167.6° |
| C4 | C5 | C7 | H28 | 120.1° | 128.4° |
| C4 | C5 | C7 | C8 | 162.3° | 156.2° |
| C4 | C5 | C7 | H26 | 43.0° | 85.5° |
| C4 | C5 | C7 | H27 | 78.4° | 37.8° |
| C5 | C4 | C3 | H29 | 178.8° | 70.1° |
| C5 | C4 | C3 | H30 | 60.5° | 170.5° |
| C5 | C4 | C10 | H33 | 177.0° | 163.5° |
| C6 | C5 | C7 | H28 | 107.6° | 117.7° |
| C5 | C6 | C9 | C20 | 169.8° | 149.1° |
| C5 | C6 | C9 | C8 | 38.4° | 30.2° |
| C6 | C5 | C7 | C8 | 30.0° | 42.3° |
| C5 | C6 | C9 | H18 | 72.7° | 88.7° |
| C5 | C6 | C19 | H19 | 56.8° | 68.1° |
| C5 | C6 | C19 | H20 | 176.8° | 171.9° |
| C5 | C6 | C19 | H21 | 63.2° | 51.9° |
| C5 | C6 | C1 | H22 | 59.7° | 172.4° |
| C5 | C6 | C1 | H23 | 179.4° | 51.6° |
| C6 | C5 | C7 | H26 | 89.4° | 160.6° |
| C6 | C5 | C7 | H27 | 149.3° | 76.1° |
| C9 | C6 | C5 | C7 | 42.2° | 45.6° |
| C6 | C9 | C20 | C8 | 126.3° | 115.7° |
| C6 | C9 | C20 | H18 | 117.8° | 122.3° |
| C6 | C9 | C20 | C23 | 86.3° | 177.1° |
| C6 | C9 | C20 | C21 | 152.7° | 62.9° |
| C6 | C9 | C8 | H18 | 111.4° | 119.0° |
| C6 | C9 | C8 | C7 | 20.4° | 3.9° |
| C6 | C9 | C20 | H14 | 37.0° | 57.1° |
| C9 | C6 | C19 | H19 | 55.4° | 44.1° |
| C9 | C6 | C19 | H20 | 64.6° | 75.9° |
| C9 | C6 | C19 | H21 | 175.4° | 164.1° |
| C9 | C6 | C1 | H22 | 51.9° | 56.1° |
| C9 | C6 | C1 | H23 | 69.0° | 64.8° |
| C6 | C9 | C8 | H24 | 139.8° | 123.1° |
| C6 | C9 | C8 | H25 | 99.2° | 115.3° |
| C9 | C6 | C5 | H28 | 65.3° | 72.0° |
| C15 | C14 | O22 | H41 | 116.3° | 120.0° |
| C14 | C15 | C16 | H39 | 120.1° | 120.1° |
| C14 | C15 | C16 | H40 | 120.1° | 120.0° |
| C14 | C15 | C16 | C17 | 54.4° | 63.6° |
| C14 | C15 | C16 | O18 | 166.4° | 56.3° |
| C14 | C15 | C16 | H37 | 67.3° | 176.4° |
| C14 | C15 | H39 | H40 | 119.6° | 119.7° |
| C15 | C14 | O22 | H42 | 57.9° | 180.0° |
| C15 | C14 | C13 | H43 | 170.3° | 174.3° |
| C15 | C14 | C13 | H44 | 70.8° | 65.1° |
| O22 | C14 | C15 | C16 | 62.4° | 176.4° |
| O22 | C14 | C15 | H39 | 177.5° | 63.4° |
| O22 | C14 | C15 | H40 | 57.8° | 56.4° |
| O22 | C14 | C13 | H43 | 53.0° | 65.6° |
| O22 | C14 | C13 | H44 | 171.9° | 54.9° |
| C27 | C26 | C25 | O29 | 115.0° | 120.0° |
| C27 | C26 | C25 | C24 | 169.2° | 55.0° |
| C27 | C26 | O29 | H1 | 56.5° | 60.0° |
| C26 | C27 | H2 | H3 | 120.0° | 120.0° |
| C26 | C27 | H2 | H4 | 120.0° | 120.0° |
| C26 | C27 | H3 | H4 | 119.9° | 119.9° |
| C27 | C26 | C28 | H5 | 180.0° | 60.0° |
| C27 | C26 | C28 | H6 | 60.0° | 180.0° |
| C27 | C26 | C28 | H7 | 60.0° | 60.0° |
| C27 | C26 | C25 | H8 | 48.5° | 65.0° |
| C27 | C26 | C25 | H9 | 70.1° | 175.0° |
| C26 | C25 | C24 | H8 | 120.7° | 120.0° |
| C26 | C25 | C24 | H9 | 120.7° | 120.0° |
| C26 | C25 | C24 | C23 | 171.5° | NaN° |
| C25 | C26 | O29 | H1 | 59.2° | 180.0° |
| C25 | C26 | C27 | H2 | 56.8° | 60.0° |
| C25 | C26 | C27 | H3 | 176.8° | 180.0° |
| C25 | C26 | C27 | H4 | 63.2° | 60.0° |
| C25 | C26 | C28 | H5 | 58.3° | 180.0° |
| C25 | C26 | C28 | H6 | 61.7° | 60.0° |
| C25 | C26 | C28 | H7 | 178.3° | 60.0° |
| C26 | C25 | H8 | H9 | 117.8° | 120.0° |
| C26 | C25 | C24 | H10 | 68.4° | 60.0° |
| C26 | C25 | C24 | H11 | 51.4° | 60.0° |
| O29 | C26 | C25 | C24 | 54.2° | 65.0° |
| O29 | C26 | C27 | H2 | 58.3° | 60.0° |
| O29 | C26 | C27 | H3 | 61.7° | 60.1° |
| O29 | C26 | C27 | H4 | 178.3° | 180.0° |
| O29 | C26 | C28 | H5 | 60.2° | 60.1° |
| O29 | C26 | C28 | H6 | 179.8° | 59.9° |
| O29 | C26 | C28 | H7 | 59.8° | 180.0° |
| O29 | C26 | C25 | H8 | 66.5° | 175.0° |
| O29 | C26 | C25 | H9 | 174.9° | 55.0° |
| C25 | C24 | C23 | H10 | 120.1° | 120.0° |
| C25 | C24 | C23 | H11 | 120.1° | 120.0° |
| C25 | C24 | C23 | C20 | 160.0° | 180.0° |
| C24 | C25 | H8 | H9 | 117.7° | 120.0° |
| C25 | C24 | H10 | H11 | 119.8° | 120.0° |
| C25 | C24 | C23 | H12 | 79.4° | 59.9° |
| C25 | C24 | C23 | H13 | 39.5° | 60.0° |
| C11 | C12 | C17 | C16 | 146.7° | 128.6° |
| C12 | C11 | C10 | H33 | 8.6° | 6.0° |
| C11 | C12 | C17 | H35 | 25.4° | 111.7° |
| C11 | C12 | C17 | H36 | 92.1° | 8.9° |
| C11 | C12 | C13 | H43 | 23.2° | 8.8° |
| C11 | C12 | C13 | H44 | 95.6° | 111.6° |
| C12 | C17 | C16 | C15 | 41.6° | 54.7° |
| C12 | C17 | C16 | H35 | 121.2° | 119.7° |
| C12 | C17 | C16 | H36 | 121.2° | 119.7° |
| C12 | C17 | C16 | O18 | 162.7° | 65.4° |
| C17 | C12 | C11 | H34 | 6.0° | 5.5° |
| C12 | C17 | H35 | H36 | 116.1° | 120.5° |
| C12 | C17 | C16 | H37 | 80.1° | 174.6° |
| C17 | C12 | C13 | H43 | 156.1° | 171.0° |
| C17 | C12 | C13 | H44 | 85.0° | 68.7° |
| C5 | C7 | C8 | C9 | 6.2° | 24.2° |
| C5 | C7 | C8 | H26 | 119.3° | 118.3° |
| C5 | C7 | C8 | H27 | 119.3° | 118.5° |
| C5 | C7 | C8 | H24 | 113.3° | 95.0° |
| C5 | C7 | C8 | H25 | 125.7° | 143.4° |
| C5 | C7 | H26 | H27 | 121.9° | 123.5° |
| C24 | C23 | C20 | C9 | 168.7° | 175.0° |
| C24 | C23 | C20 | H12 | 120.6° | 120.0° |
| C24 | C23 | C20 | H13 | 120.5° | 120.0° |
| C24 | C23 | C20 | C21 | 68.5° | 65.0° |
| C23 | C24 | C25 | H8 | 50.8° | 60.0° |
| C23 | C24 | C25 | H9 | 67.8° | 60.0° |
| C23 | C24 | H10 | H11 | 119.7° | 120.0° |
| C24 | C23 | H12 | H13 | 118.4° | 119.9° |
| C24 | C23 | C20 | H14 | 45.4° | 55.0° |
| C9 | C20 | C23 | C21 | 122.8° | 120.0° |
| C9 | C20 | C23 | H14 | 123.2° | 120.0° |
| C9 | C20 | C21 | H14 | 115.3° | 120.0° |
| C20 | C9 | C8 | H18 | 115.8° | 122.1° |
| C20 | C9 | C8 | C7 | 153.2° | 122.9° |
| C9 | C20 | C23 | H12 | 70.8° | 65.0° |
| C9 | C20 | C23 | H13 | 48.1° | 55.0° |
| C9 | C20 | C21 | H15 | 180.0° | 180.0° |
| C9 | C20 | C21 | H16 | 60.0° | 60.0° |
| C9 | C20 | C21 | H17 | 60.0° | 60.0° |
| C20 | C9 | C8 | H24 | 87.3° | 117.9° |
| C20 | C9 | C8 | H25 | 33.7° | 3.7° |
| C23 | C20 | C21 | H14 | 113.7° | 120.0° |
| C23 | C20 | C9 | C8 | 40.0° | 61.4° |
| C20 | C23 | C24 | H10 | 39.9° | 60.0° |
| C20 | C23 | C24 | H11 | 79.9° | 60.0° |
| C20 | C23 | H12 | H13 | 118.4° | 120.0° |
| C23 | C20 | C21 | H15 | 49.0° | 60.0° |
| C23 | C20 | C21 | H16 | 71.0° | 60.0° |
| C23 | C20 | C21 | H17 | 169.0° | 180.0° |
| C23 | C20 | C9 | H18 | 155.8° | 60.7° |
| C21 | C20 | C9 | C8 | 80.9° | 178.6° |
| C21 | C20 | C23 | H12 | 52.0° | 55.0° |
| C21 | C20 | C23 | H13 | 170.9° | 175.0° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C21 | C20 | C9 | H18 | 34.9° | 59.3° |
| C15 | C16 | C17 | O18 | 121.1° | 120.0° |
| C15 | C16 | C17 | H37 | 121.7° | 119.9° |
| C15 | C16 | O18 | H37 | 125.5° | 120.1° |
| C15 | C16 | C17 | H35 | 162.8° | 65.0° |
| C15 | C16 | C17 | H36 | 79.7° | 174.3° |
| C15 | C16 | O18 | H38 | 180.0° | 179.9° |
| C16 | C15 | H39 | H40 | 119.6° | 119.9° |
| C16 | C15 | C14 | H41 | 179.8° | 56.4° |
| C9 | C8 | C7 | H24 | 119.5° | 119.2° |
| C9 | C8 | C7 | H25 | 119.5° | 119.2° |
| C8 | C9 | C20 | H14 | 163.4° | 58.6° |
| C9 | C8 | H24 | H25 | 121.4° | 121.6° |
| C9 | C8 | C7 | H26 | 113.1° | 142.5° |
| C9 | C8 | C7 | H27 | 125.5° | 94.3° |
| C17 | C16 | O18 | H37 | 116.1° | 120.0° |
| C16 | C17 | H35 | H36 | 116.1° | 120.5° |
| C17 | C16 | O18 | H38 | 61.6° | 60.0° |
| C17 | C16 | C15 | H39 | 65.7° | 56.5° |
| C17 | C16 | C15 | H40 | 174.5° | 176.3° |
| C7 | C8 | C9 | H18 | 91.1° | 115.0° |
| C7 | C8 | H24 | H25 | 121.5° | 121.6° |
| C8 | C7 | H26 | H27 | 121.9° | 123.2° |
| C8 | C7 | C5 | H28 | 77.6° | 75.4° |
| O18 | C16 | C17 | H35 | 76.1° | 175.0° |
| O18 | C16 | C17 | H36 | 41.5° | 54.3° |
| O18 | C16 | C15 | H39 | 46.3° | 176.5° |
| O18 | C16 | C15 | H40 | 73.4° | 63.7° |
| H2 | C27 | H3 | H4 | 120.0° | 120.0° |
| H5 | C28 | H6 | H7 | 120.0° | 120.0° |
| H8 | C25 | C24 | H10 | 170.8° | 180.0° |
| H8 | C25 | C24 | H11 | 69.3° | 60.0° |
| H9 | C25 | C24 | H10 | 52.3° | 60.0° |
| H9 | C25 | C24 | H11 | 172.2° | 180.0° |
| H10 | C24 | C23 | H12 | 160.5° | 179.9° |
| H10 | C24 | C23 | H13 | 80.6° | 60.0° |
| H11 | C24 | C23 | H12 | 40.6° | 60.0° |
| H11 | C24 | C23 | H13 | 159.6° | 180.0° |
| H12 | C23 | C20 | H14 | 166.0° | 175.0° |
| H13 | C23 | C20 | H14 | 75.1° | 65.0° |
| H14 | C20 | C21 | H15 | 64.7° | 60.0° |
| H14 | C20 | C21 | H16 | 175.2° | NaN° |
| H14 | C20 | C21 | H17 | 55.3° | 60.0° |
| H14 | C20 | C9 | H18 | 80.8° | 179.4° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C9 | C8 | H24 | 28.4° | 4.2° |
| H18 | C9 | C8 | H25 | 149.4° | 125.8° |
| H19 | C19 | H20 | H21 | 120.0° | 119.9° |
| H22 | C1 | C2 | H31 | 65.0° | 58.0° |
| H22 | C1 | C2 | H32 | 175.2° | 60.8° |
| H23 | C1 | C2 | H31 | 55.8° | 178.9° |
| H23 | C1 | C2 | H32 | 64.0° | 60.1° |
| H24 | C8 | C7 | H26 | 127.4° | 23.3° |
| H24 | C8 | C7 | H27 | 6.1° | 146.5° |
| H25 | C8 | C7 | H26 | 6.4° | 98.3° |
| H25 | C8 | C7 | H27 | 114.9° | 24.9° |
| H26 | C7 | C5 | H28 | 163.0° | 42.9° |
| H27 | C7 | C5 | H28 | 41.7° | 166.2° |
| H29 | C3 | C2 | H31 | 56.3° | 167.7° |
| H29 | C3 | C2 | H32 | 63.5° | 48.9° |
| H30 | C3 | C2 | H31 | 64.5° | 48.3° |
| H30 | C3 | C2 | H32 | 175.7° | 70.5° |
| H33 | C10 | C11 | H34 | 171.4° | 174.0° |
| H35 | C17 | C16 | H37 | 41.1° | 54.9° |
| H36 | C17 | C16 | H37 | 158.6° | 65.7° |
| H37 | C16 | O18 | H38 | 54.5° | 60.0° |
| H37 | C16 | C15 | H39 | 172.5° | 63.4° |
| H37 | C16 | C15 | H40 | 52.8° | 56.4° |
| H39 | C15 | C14 | H41 | 60.1° | 176.6° |
| H40 | C15 | C14 | H41 | 59.7° | 63.7° |
| H41 | C14 | O22 | H42 | 58.4° | 60.0° |
| H41 | C14 | C13 | H43 | 69.5° | 54.4° |
| H41 | C14 | C13 | H44 | 49.4° | 174.9° |
