8BL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C3 | doub | 1.31Å | 1.33Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.51Å | 1.47Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C1 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | doub | 1.33Å | 1.35Å | |
| C7 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | doub | 1.33Å | 1.35Å | |
| C9 | C14 | sing | 1.50Å | 1.49Å | |
| C9 | C10 | sing | 1.52Å | 1.49Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C21 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.56Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C13 | C17 | sing | 1.52Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| O25 | C24 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | sing | 1.47Å | 1.51Å | |
| C23 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C22 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C30 | C29 | sing | 1.37Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.37Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.40Å | |
| C30 | H1 | sing | 1.08Å | 1.08Å | |
| C29 | H2 | sing | 1.08Å | 1.08Å | |
| O29 | H3 | sing | 0.97Å | 0.95Å | |
| C27 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.08Å | 1.08Å | |
| C7 | H32 | sing | 1.08Å | 1.08Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| O2 | H38 | sing | 0.97Å | 0.95Å | |
| C33 | H39 | sing | 1.08Å | 1.08Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| O1 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C3 | C4 | 121.4° | 120.6° |
| C33 | C3 | C2 | 119.9° | 120.7° |
| C3 | C33 | H39 | 120.0° | 120.0° |
| C3 | C33 | H40 | 120.0° | 120.1° |
| O2 | C4 | C3 | 110.4° | 109.7° |
| O2 | C4 | C5 | 105.2° | 109.6° |
| O2 | C4 | H37 | 111.1° | 109.6° |
| C4 | O2 | H38 | 109.5° | 114.0° |
| C4 | C3 | C2 | 118.5° | 118.7° |
| C3 | C4 | C5 | 109.8° | 108.6° |
| C3 | C4 | H37 | 110.4° | 109.7° |
| C3 | C2 | O1 | 111.6° | 109.6° |
| C3 | C2 | C1 | 110.2° | 108.7° |
| C3 | C2 | H41 | 106.9° | 109.6° |
| C4 | C5 | C6 | 110.0° | 108.6° |
| C4 | C5 | H35 | 109.4° | 109.6° |
| C4 | C5 | H36 | 109.3° | 109.8° |
| C5 | C4 | H37 | 109.8° | 109.6° |
| O1 | C2 | C1 | 113.3° | 109.8° |
| O1 | C2 | H41 | 108.0° | 109.8° |
| C2 | O1 | H42 | 109.5° | 114.0° |
| C2 | C1 | C6 | 116.2° | 108.6° |
| C2 | C1 | H33 | 107.7° | 109.6° |
| C2 | C1 | H34 | 107.8° | 109.8° |
| C1 | C2 | H41 | 106.5° | 109.3° |
| C5 | C6 | C1 | 121.7° | 118.8° |
| C5 | C6 | C7 | 123.5° | 120.6° |
| C6 | C5 | H35 | 109.3° | 109.6° |
| C6 | C5 | H36 | 109.3° | 109.6° |
| C1 | C6 | C7 | 114.8° | 120.6° |
| C6 | C1 | H33 | 107.8° | 109.6° |
| C6 | C1 | H34 | 107.8° | 109.6° |
| C6 | C7 | C8 | 125.9° | 120.0° |
| C6 | C7 | H32 | 117.0° | 120.0° |
| C7 | C8 | C9 | 120.6° | 120.0° |
| C7 | C8 | H31 | 119.7° | 120.0° |
| C8 | C7 | H32 | 117.0° | 120.0° |
| C8 | C9 | C14 | 124.8° | 122.4° |
| C8 | C9 | C10 | 125.6° | 122.4° |
| C9 | C8 | H31 | 119.7° | 120.0° |
| C14 | C9 | C10 | 109.6° | 115.3° |
| C9 | C14 | C15 | 121.0° | 116.8° |
| C9 | C14 | C13 | 105.3° | 105.6° |
| C9 | C14 | H30 | 108.1° | 111.0° |
| C9 | C10 | C11 | 110.3° | 110.7° |
| C9 | C10 | H24 | 109.3° | 109.2° |
| C9 | C10 | H25 | 109.2° | 109.2° |
| C14 | C15 | C16 | 104.5° | 102.8° |
| C15 | C14 | C13 | 106.3° | 101.3° |
| C14 | C15 | H28 | 110.7° | 110.8° |
| C14 | C15 | H29 | 110.7° | 110.8° |
| C15 | C14 | H30 | 107.6° | 110.7° |
| C15 | C16 | C17 | 103.7° | 106.3° |
| C15 | C16 | H26 | 110.9° | 110.1° |
| C15 | C16 | H27 | 110.9° | 110.2° |
| C16 | C15 | H28 | 110.7° | 110.8° |
| C16 | C15 | H29 | 110.7° | 110.7° |
| C21 | C13 | C14 | 109.5° | 108.6° |
| C21 | C13 | C17 | 115.3° | 109.3° |
| C21 | C13 | C12 | 109.2° | 109.3° |
| C13 | C21 | H17 | 109.5° | 109.4° |
| C13 | C21 | H18 | 109.5° | 109.5° |
| C13 | C21 | H19 | 109.4° | 109.4° |
| C14 | C13 | C17 | 96.7° | 103.2° |
| C14 | C13 | C12 | 110.7° | 107.6° |
| C13 | C14 | H30 | 107.8° | 110.8° |
| C10 | C11 | C12 | 115.4° | 111.8° |
| C10 | C11 | H22 | 108.0° | 109.0° |
| C10 | C11 | H23 | 108.0° | 109.0° |
| C11 | C10 | H24 | 109.2° | 109.3° |
| C11 | C10 | H25 | 109.3° | 109.2° |
| C16 | C17 | C13 | 104.9° | 105.1° |
| C16 | C17 | C18 | 120.0° | 110.3° |
| C16 | C17 | H16 | 105.2° | 110.3° |
| C17 | C16 | H26 | 110.9° | 110.0° |
| C17 | C16 | H27 | 110.9° | 110.1° |
| C17 | C13 | C12 | 114.7° | 118.4° |
| C13 | C17 | C18 | 114.9° | 110.3° |
| C13 | C17 | H16 | 105.1° | 110.3° |
| C13 | C12 | C11 | 111.0° | 107.6° |
| C13 | C12 | H20 | 109.1° | 109.8° |
| C13 | C12 | H21 | 109.1° | 109.9° |
| O25 | C24 | C23 | 116.7° | 120.0° |
| O25 | C24 | C25 | 116.9° | 120.0° |
| C11 | C12 | H20 | 109.1° | 109.9° |
| C11 | C12 | H21 | 109.1° | 109.9° |
| C12 | C11 | H22 | 108.0° | 109.0° |
| C12 | C11 | H23 | 107.9° | 109.0° |
| C17 | C18 | C19 | 119.4° | 109.5° |
| C17 | C18 | C22 | 105.9° | 109.5° |
| C17 | C18 | H12 | 106.6° | 109.5° |
| C18 | C17 | H16 | 105.4° | 110.4° |
| C18 | C19 | C20 | 107.8° | 109.5° |
| C19 | C18 | C22 | 111.1° | 109.4° |
| C18 | C19 | H10 | 109.9° | 109.5° |
| C18 | C19 | H11 | 109.9° | 109.4° |
| C19 | C18 | H12 | 106.5° | 109.5° |
| C19 | C20 | C23 | 114.5° | 109.5° |
| C19 | C20 | H8 | 108.2° | 109.5° |
| C19 | C20 | H9 | 108.2° | 109.4° |
| C20 | C19 | H10 | 109.9° | 109.5° |
| C20 | C19 | H11 | 109.9° | 109.4° |
| C23 | C24 | C25 | 126.4° | 120.0° |
| C24 | C23 | C20 | 107.8° | 109.4° |
| C24 | C23 | H6 | 109.9° | 109.5° |
| C24 | C23 | H7 | 109.9° | 109.5° |
| C24 | C25 | C30 | 119.1° | 120.2° |
| C24 | C25 | C26 | 121.8° | 120.1° |
| C20 | C23 | H6 | 109.9° | 109.5° |
| C20 | C23 | H7 | 109.9° | 109.5° |
| C23 | C20 | H8 | 108.2° | 109.5° |
| C23 | C20 | H9 | 108.2° | 109.5° |
| C22 | C18 | H12 | 106.6° | 109.5° |
| C18 | C22 | H13 | 109.5° | 109.4° |
| C18 | C22 | H14 | 109.5° | 109.5° |
| C18 | C22 | H15 | 109.5° | 109.5° |
| C25 | C30 | C29 | 120.5° | 119.9° |
| C30 | C25 | C26 | 119.0° | 119.8° |
| C25 | C30 | H1 | 119.8° | 120.1° |
| C30 | C29 | C28 | 120.4° | 120.1° |
| C29 | C30 | H1 | 119.8° | 120.0° |
| C30 | C29 | H2 | 119.8° | 119.9° |
| C25 | C26 | C27 | 120.6° | 119.9° |
| C25 | C26 | H5 | 119.7° | 120.1° |
| C29 | C28 | C27 | 118.3° | 120.3° |
| C29 | C28 | O29 | 121.3° | 119.9° |
| C28 | C29 | H2 | 119.8° | 120.0° |
| C26 | C27 | C28 | 121.2° | 120.1° |
| C26 | C27 | H4 | 119.4° | 119.9° |
| C27 | C26 | H5 | 119.7° | 120.0° |
| C27 | C28 | O29 | 120.4° | 119.9° |
| C28 | C27 | H4 | 119.4° | 120.0° |
| C28 | O29 | H3 | 109.5° | 114.0° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.4° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H15 | 109.4° | 109.4° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H19 | 109.5° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.8° |
| H22 | C11 | H23 | 109.5° | 109.0° |
| H24 | C10 | H25 | 109.5° | 109.2° |
| H26 | C16 | H27 | 109.5° | 110.1° |
| H28 | C15 | H29 | 109.5° | 110.8° |
| H33 | C1 | H34 | 109.4° | 109.6° |
| H35 | C5 | H36 | 109.5° | 109.6° |
| H39 | C33 | H40 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C3 | C4 | O2 | 2.7° | 4.9° |
| C33 | C3 | C4 | C2 | 175.3° | 179.7° |
| C33 | C3 | C4 | C5 | 112.9° | 124.7° |
| C33 | C3 | C2 | O1 | 106.1° | 115.3° |
| C33 | C3 | C2 | C1 | 127.2° | 124.7° |
| C33 | C3 | C4 | H37 | 126.0° | 115.5° |
| C3 | C33 | H39 | H40 | 180.0° | 179.9° |
| C33 | C3 | C2 | H41 | 11.7° | 5.3° |
| O2 | C4 | C3 | C5 | 115.6° | 119.8° |
| O2 | C4 | C3 | H37 | 123.3° | 120.5° |
| O2 | C4 | C3 | C2 | 178.0° | 175.4° |
| O2 | C4 | C5 | H37 | 119.6° | 120.4° |
| O2 | C4 | C5 | C6 | 170.6° | 169.3° |
| O2 | C4 | C5 | H35 | 50.5° | 71.0° |
| O2 | C4 | C5 | H36 | 69.3° | 49.5° |
| C3 | C4 | C5 | H37 | 121.6° | 119.8° |
| C4 | C3 | C2 | O1 | 78.5° | 64.4° |
| C4 | C3 | C2 | C1 | 48.2° | 55.6° |
| C3 | C4 | C5 | C6 | 51.9° | 49.5° |
| C3 | C4 | C5 | H35 | 68.2° | 169.2° |
| C3 | C4 | C5 | H36 | 171.9° | 70.3° |
| C3 | C4 | O2 | H38 | 180.0° | 60.8° |
| C4 | C3 | C33 | H39 | 175.2° | 0.1° |
| C4 | C3 | C33 | H40 | 4.8° | 180.0° |
| C4 | C3 | C2 | H41 | 163.6° | 175.0° |
| C2 | C3 | C4 | C5 | 62.4° | 55.6° |
| C3 | C2 | O1 | C1 | 125.1° | 119.3° |
| C3 | C2 | O1 | H41 | 117.2° | 120.5° |
| C3 | C2 | C1 | H41 | 115.7° | 119.6° |
| C3 | C2 | C1 | C6 | 27.3° | 49.5° |
| C3 | C2 | C1 | H33 | 148.3° | 70.2° |
| C3 | C2 | C1 | H34 | 93.7° | 169.3° |
| C2 | C3 | C4 | H37 | 58.7° | 64.2° |
| C2 | C3 | C33 | H39 | 0.0° | 179.8° |
| C2 | C3 | C33 | H40 | 180.0° | 0.3° |
| C3 | C2 | O1 | H42 | 180.0° | 60.0° |
| C4 | C5 | C6 | H35 | 120.1° | 119.7° |
| C4 | C5 | C6 | H36 | 120.1° | 119.9° |
| C4 | C5 | C6 | C1 | 37.3° | 55.0° |
| C4 | C5 | C6 | C7 | 143.4° | 124.7° |
| C4 | C5 | H35 | H36 | 119.8° | 120.6° |
| C5 | C4 | O2 | H38 | 61.6° | 180.0° |
| O1 | C2 | C1 | H41 | 118.5° | 120.5° |
| O1 | C2 | C1 | C6 | 98.5° | 70.4° |
| O1 | C2 | C1 | H33 | 22.5° | 169.9° |
| O1 | C2 | C1 | H34 | 140.5° | 49.4° |
| C2 | C1 | C6 | C5 | 25.8° | 55.0° |
| C2 | C1 | C6 | H33 | 121.0° | 119.7° |
| C2 | C1 | C6 | H34 | 121.0° | 119.9° |
| C2 | C1 | C6 | C7 | 154.9° | 124.7° |
| C2 | C1 | H33 | H34 | 116.9° | 120.6° |
| C1 | C2 | O1 | H42 | 54.9° | 179.3° |
| C5 | C6 | C1 | C7 | 179.3° | 179.7° |
| C5 | C6 | C7 | C8 | 0.1° | 5.7° |
| C5 | C6 | C7 | H32 | 179.9° | 174.4° |
| C5 | C6 | C1 | H33 | 146.8° | 64.8° |
| C5 | C6 | C1 | H34 | 95.2° | 174.9° |
| C6 | C5 | H35 | H36 | 119.7° | 120.3° |
| C6 | C5 | C4 | H37 | 69.7° | 70.3° |
| C1 | C6 | C7 | C8 | 179.3° | 174.0° |
| C1 | C6 | C7 | H32 | 0.8° | 5.9° |
| C6 | C1 | H33 | H34 | 116.9° | 120.3° |
| C1 | C6 | C5 | H35 | 82.8° | 174.8° |
| C1 | C6 | C5 | H36 | 157.4° | 64.9° |
| C6 | C1 | C2 | H41 | 142.9° | 169.1° |
| C6 | C7 | C8 | H32 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 172.1° | 174.5° |
| C6 | C7 | C8 | H31 | 7.9° | 5.4° |
| C7 | C6 | C1 | H33 | 33.9° | 115.5° |
| C7 | C6 | C1 | H34 | 84.1° | 4.8° |
| C7 | C6 | C5 | H35 | 96.5° | 4.9° |
| C7 | C6 | C5 | H36 | 23.3° | 115.4° |
| C7 | C8 | C9 | H31 | 180.0° | 179.9° |
| C7 | C8 | C9 | C14 | 178.5° | 179.9° |
| C7 | C8 | C9 | C10 | 1.5° | 0.0° |
| C8 | C9 | C14 | C10 | 180.0° | 180.0° |
| C8 | C9 | C14 | C15 | 10.5° | 10.3° |
| C8 | C9 | C14 | C13 | 109.8° | 121.9° |
| C8 | C9 | C10 | C11 | 121.2° | 129.8° |
| C8 | C9 | C10 | H24 | 118.7° | 9.4° |
| C8 | C9 | C10 | H25 | 1.1° | 109.9° |
| C8 | C9 | C14 | H30 | 135.1° | 117.9° |
| C9 | C8 | C7 | H32 | 7.9° | 5.6° |
| C9 | C14 | C15 | C13 | 119.8° | 114.0° |
| C9 | C14 | C15 | H30 | 124.9° | 128.4° |
| C9 | C14 | C15 | C16 | 144.6° | 156.2° |
| C9 | C14 | C13 | C21 | 53.4° | 51.7° |
| C9 | C14 | C13 | H30 | 115.3° | 120.3° |
| C14 | C9 | C10 | C11 | 58.8° | 50.2° |
| C9 | C14 | C13 | C17 | 173.2° | 167.7° |
| C9 | C14 | C13 | C12 | 67.1° | 66.4° |
| C14 | C9 | C10 | H24 | 61.3° | 170.5° |
| C14 | C9 | C10 | H25 | 179.0° | 70.1° |
| C9 | C14 | C15 | H28 | 25.3° | 85.4° |
| C9 | C14 | C15 | H29 | 96.2° | 38.0° |
| C14 | C9 | C8 | H31 | 1.5° | 0.0° |
| C10 | C9 | C14 | C15 | 169.5° | 169.7° |
| C10 | C9 | C14 | C13 | 70.2° | 58.1° |
| C9 | C10 | C11 | H24 | 120.1° | 120.3° |
| C9 | C10 | C11 | H25 | 120.1° | 120.2° |
| C9 | C10 | C11 | C12 | 44.2° | 48.6° |
| C9 | C10 | C11 | H22 | 165.1° | 72.0° |
| C9 | C10 | C11 | H23 | 76.7° | 169.1° |
| C9 | C10 | H24 | H25 | 119.6° | 119.3° |
| C10 | C9 | C14 | H30 | 44.8° | 62.1° |
| C10 | C9 | C8 | H31 | 178.5° | 180.0° |
| C14 | C15 | C16 | H28 | 119.2° | 118.4° |
| C14 | C15 | C16 | H29 | 119.2° | 118.3° |
| C15 | C14 | C13 | C21 | 76.2° | 70.5° |
| C15 | C14 | C13 | H30 | 115.2° | 117.5° |
| C14 | C15 | C16 | C17 | 5.7° | 24.1° |
| C15 | C14 | C13 | C17 | 43.7° | 45.4° |
| C15 | C14 | C13 | C12 | 163.3° | 171.3° |
| C14 | C15 | C16 | H26 | 113.4° | 95.1° |
| C14 | C15 | C16 | H27 | 124.8° | 143.3° |
| C14 | C15 | H28 | H29 | 122.3° | 123.3° |
| C16 | C15 | C14 | C13 | 24.7° | 42.2° |
| C15 | C16 | C17 | H26 | 119.1° | 119.2° |
| C15 | C16 | C17 | H27 | 119.1° | 119.3° |
| C15 | C16 | C17 | C13 | 33.9° | 4.0° |
| C15 | C16 | C17 | C18 | 164.9° | 122.8° |
| C15 | C16 | C17 | H16 | 76.8° | 115.0° |
| C15 | C16 | H26 | H27 | 122.6° | 121.6° |
| C16 | C15 | H28 | H29 | 122.3° | 123.3° |
| C16 | C15 | C14 | H30 | 90.6° | 75.4° |
| C21 | C13 | C14 | C17 | 119.9° | 116.0° |
| C21 | C13 | C14 | C12 | 120.5° | 118.2° |
| C21 | C13 | C17 | C16 | 67.9° | 85.2° |
| C21 | C13 | C17 | C12 | 128.2° | 125.9° |
| C21 | C13 | C12 | C11 | 67.9° | 49.7° |
| C21 | C13 | C17 | C18 | 66.0° | 33.7° |
| C21 | C13 | C17 | H16 | 178.6° | 155.8° |
| C13 | C21 | H17 | H18 | 120.0° | 120.1° |
| C13 | C21 | H17 | H19 | 120.0° | 119.9° |
| C13 | C21 | H18 | H19 | 120.0° | 120.0° |
| C21 | C13 | C12 | H20 | 52.3° | 69.9° |
| C21 | C13 | C12 | H21 | 171.8° | 169.3° |
| C21 | C13 | C14 | H30 | 168.6° | 172.0° |
| C14 | C13 | C17 | C16 | 47.4° | 30.2° |
| C14 | C13 | C17 | C12 | 116.5° | 118.6° |
| C14 | C13 | C12 | C11 | 52.8° | 68.0° |
| C14 | C13 | C17 | C18 | 178.6° | 149.1° |
| C14 | C13 | C17 | H16 | 63.3° | 88.7° |
| C14 | C13 | C21 | H17 | 180.0° | 179.9° |
| C14 | C13 | C21 | H18 | 60.0° | 60.1° |
| C14 | C13 | C21 | H19 | 60.0° | 59.9° |
| C14 | C13 | C12 | H20 | 173.0° | 172.4° |
| C14 | C13 | C12 | H21 | 67.5° | 51.6° |
| C13 | C14 | C15 | H28 | 94.5° | 160.6° |
| C13 | C14 | C15 | H29 | 143.9° | 76.1° |
| C10 | C11 | C12 | C13 | 41.4° | 59.1° |
| C10 | C11 | C12 | H22 | 120.9° | 120.6° |
| C10 | C11 | C12 | H23 | 120.9° | 120.5° |
| C10 | C11 | C12 | H20 | 161.6° | 178.6° |
| C10 | C11 | C12 | H21 | 78.9° | 60.5° |
| C10 | C11 | H22 | H23 | 117.3° | 118.9° |
| C11 | C10 | H24 | H25 | 119.6° | 119.4° |
| C16 | C17 | C13 | C18 | 133.9° | 118.9° |
| C16 | C17 | C13 | H16 | 110.7° | 118.9° |
| C16 | C17 | C13 | C12 | 163.9° | 148.8° |
| C16 | C17 | C18 | H16 | 118.2° | 122.1° |
| C16 | C17 | C18 | C19 | 41.0° | 62.9° |
| C16 | C17 | C18 | C22 | 85.1° | 177.2° |
| C16 | C17 | C18 | H12 | 161.6° | 57.1° |
| C17 | C16 | H26 | H27 | 122.7° | 121.5° |
| C17 | C16 | C15 | H28 | 124.9° | 142.5° |
| C17 | C16 | C15 | H29 | 113.5° | 94.2° |
| C17 | C13 | C12 | C11 | 160.9° | 175.6° |
| C13 | C17 | C18 | H16 | 115.2° | 122.2° |
| C13 | C17 | C18 | C19 | 85.5° | 178.6° |
| C13 | C17 | C18 | C22 | 148.4° | 61.5° |
| C13 | C17 | C18 | H12 | 35.1° | 58.6° |
| C17 | C13 | C21 | H17 | 72.3° | 67.9° |
| C17 | C13 | C21 | H18 | 167.7° | 172.0° |
| C17 | C13 | C21 | H19 | 47.7° | 52.0° |
| C17 | C13 | C12 | H20 | 78.9° | 56.1° |
| C17 | C13 | C12 | H21 | 40.6° | 64.8° |
| C13 | C17 | C16 | H26 | 85.2° | 123.2° |
| C13 | C17 | C16 | H27 | 152.9° | 115.3° |
| C17 | C13 | C14 | H30 | 71.5° | 72.1° |
| C13 | C12 | C11 | H20 | 120.2° | 119.5° |
| C13 | C12 | C11 | H21 | 120.2° | 119.6° |
| C12 | C13 | C17 | C18 | 62.1° | 92.3° |
| C12 | C13 | C17 | H16 | 53.2° | 29.9° |
| C12 | C13 | C21 | H17 | 58.6° | 63.1° |
| C12 | C13 | C21 | H18 | 61.4° | 57.0° |
| C12 | C13 | C21 | H19 | 178.6° | 177.0° |
| C13 | C12 | H20 | H21 | 119.3° | 120.9° |
| C13 | C12 | C11 | H22 | 162.3° | 61.5° |
| C13 | C12 | C11 | H23 | 79.5° | 179.6° |
| C12 | C13 | C14 | H30 | 48.1° | 53.8° |
| O25 | C24 | C23 | C25 | 177.2° | 179.8° |
| O25 | C24 | C23 | C20 | 78.2° | 0.0° |
| O25 | C24 | C25 | C30 | 3.5° | 179.7° |
| O25 | C24 | C25 | C26 | 172.6° | 0.0° |
| O25 | C24 | C23 | H6 | 41.6° | 120.0° |
| O25 | C24 | C23 | H7 | 162.1° | 120.0° |
| C11 | C12 | H20 | H21 | 119.3° | 121.0° |
| C12 | C11 | H22 | H23 | 117.3° | 118.9° |
| C12 | C11 | C10 | H24 | 75.9° | 168.9° |
| C12 | C11 | C10 | H25 | 164.3° | 71.7° |
| C17 | C18 | C19 | C22 | 123.6° | 120.0° |
| C17 | C18 | C19 | H12 | 120.6° | 120.1° |
| C17 | C18 | C19 | C20 | 160.2° | 175.0° |
| C17 | C18 | C22 | H12 | 113.3° | 120.1° |
| C17 | C18 | C19 | H10 | 40.5° | 65.0° |
| C17 | C18 | C19 | H11 | 80.0° | 55.1° |
| C17 | C18 | C22 | H13 | 180.0° | 60.0° |
| C17 | C18 | C22 | H14 | 60.0° | 180.0° |
| C17 | C18 | C22 | H15 | 60.0° | 59.9° |
| C18 | C17 | C16 | H26 | 45.8° | 117.9° |
| C18 | C17 | C16 | H27 | 76.0° | 3.5° |
| C18 | C19 | C20 | H10 | 119.7° | 120.0° |
| C18 | C19 | C20 | H11 | 119.8° | 119.9° |
| C18 | C19 | C20 | C23 | 168.7° | 180.0° |
| C19 | C18 | C22 | H12 | 115.7° | 120.0° |
| C18 | C19 | C20 | H8 | 70.5° | 60.0° |
| C18 | C19 | C20 | H9 | 47.9° | 60.0° |
| C18 | C19 | H10 | H11 | 120.8° | 120.0° |
| C19 | C18 | C22 | H13 | 49.0° | 180.0° |
| C19 | C18 | C22 | H14 | 71.0° | 60.0° |
| C19 | C18 | C22 | H15 | 169.0° | 60.0° |
| C19 | C18 | C17 | H16 | 159.3° | 59.2° |
| C19 | C20 | C23 | C24 | 73.0° | 180.0° |
| C19 | C20 | C23 | H8 | 120.8° | 120.0° |
| C19 | C20 | C23 | H9 | 120.8° | 119.9° |
| C20 | C19 | C18 | C22 | 76.1° | 65.0° |
| C19 | C20 | C23 | H6 | 46.7° | 60.0° |
| C19 | C20 | C23 | H7 | 167.2° | 60.0° |
| C19 | C20 | H8 | H9 | 117.7° | 119.9° |
| C20 | C19 | H10 | H11 | 120.8° | 120.0° |
| C20 | C19 | C18 | H12 | 39.6° | 55.0° |
| C24 | C23 | C20 | H6 | 119.7° | 120.0° |
| C24 | C23 | C20 | H7 | 119.7° | 120.0° |
| C23 | C24 | C25 | C30 | 179.3° | 0.5° |
| C23 | C24 | C25 | C26 | 4.6° | 179.7° |
| C24 | C23 | H6 | H7 | 120.8° | 120.0° |
| C24 | C23 | C20 | H8 | 47.7° | 60.0° |
| C24 | C23 | C20 | H9 | 166.2° | 60.1° |
| C25 | C24 | C23 | C20 | 104.6° | 179.7° |
| C24 | C25 | C30 | C26 | 176.2° | 179.8° |
| C24 | C25 | C30 | C29 | 177.1° | 180.0° |
| C24 | C25 | C26 | C27 | 176.4° | 179.7° |
| C24 | C25 | C30 | H1 | 2.9° | 0.0° |
| C24 | C25 | C26 | H5 | 3.6° | 0.0° |
| C25 | C24 | C23 | H6 | 135.7° | 60.3° |
| C25 | C24 | C23 | H7 | 15.1° | 59.8° |
| C20 | C23 | H6 | H7 | 120.8° | 120.0° |
| C23 | C20 | H8 | H9 | 117.7° | 120.1° |
| C23 | C20 | C19 | H10 | 49.0° | 60.0° |
| C23 | C20 | C19 | H11 | 71.5° | 60.0° |
| C22 | C18 | C19 | H10 | 164.1° | 55.0° |
| C22 | C18 | C19 | H11 | 43.6° | 175.0° |
| C18 | C22 | H13 | H14 | 120.0° | 120.0° |
| C18 | C22 | H13 | H15 | 120.0° | 120.0° |
| C18 | C22 | H14 | H15 | 120.0° | 120.1° |
| C22 | C18 | C17 | H16 | 33.1° | 60.7° |
| C25 | C30 | C29 | H1 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.3° | 0.0° |
| C30 | C25 | C26 | C27 | 0.2° | 0.6° |
| C25 | C30 | C29 | H2 | 179.7° | 180.0° |
| C30 | C25 | C26 | H5 | 179.8° | 179.7° |
| C29 | C30 | C25 | C26 | 0.9° | 0.3° |
| C30 | C29 | C28 | H2 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.8° | 0.0° |
| C30 | C29 | C28 | O29 | 178.7° | 180.0° |
| C25 | C26 | C27 | H5 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 1.0° | 0.6° |
| C26 | C25 | C30 | H1 | 179.1° | 179.8° |
| C25 | C26 | C27 | H4 | 179.0° | 179.7° |
| C29 | C28 | C27 | C26 | 1.5° | 0.3° |
| C29 | C28 | C27 | O29 | 177.9° | 179.9° |
| C28 | C29 | C30 | H1 | 179.7° | 179.9° |
| C29 | C28 | O29 | H3 | 180.0° | 90.0° |
| C29 | C28 | C27 | H4 | 178.5° | 180.0° |
| C26 | C27 | C28 | H4 | 180.0° | 179.7° |
| C26 | C27 | C28 | O29 | 179.4° | 179.6° |
| C27 | C28 | C29 | H2 | 179.2° | 180.0° |
| C27 | C28 | O29 | H3 | 2.1° | 90.0° |
| C28 | C27 | C26 | H5 | 179.0° | 179.7° |
| O29 | C28 | C29 | H2 | 1.3° | 0.0° |
| O29 | C28 | C27 | H4 | 0.6° | 0.0° |
| H1 | C30 | C29 | H2 | 0.3° | 0.1° |
| H4 | C27 | C26 | H5 | 1.0° | 0.0° |
| H6 | C23 | C20 | H8 | 167.5° | 180.0° |
| H6 | C23 | C20 | H9 | 74.1° | 60.0° |
| H7 | C23 | C20 | H8 | 72.0° | 60.0° |
| H7 | C23 | C20 | H9 | 46.5° | 180.0° |
| H8 | C20 | C19 | H10 | 169.7° | 180.0° |
| H8 | C20 | C19 | H11 | 49.2° | 60.0° |
| H9 | C20 | C19 | H10 | 71.8° | 60.0° |
| H9 | C20 | C19 | H11 | 167.7° | 180.0° |
| H10 | C19 | C18 | H12 | 80.1° | 175.0° |
| H11 | C19 | C18 | H12 | 159.3° | 65.0° |
| H12 | C18 | C22 | H13 | 66.7° | 60.0° |
| H12 | C18 | C22 | H14 | 173.3° | 59.9° |
| H12 | C18 | C22 | H15 | 53.3° | 180.0° |
| H12 | C18 | C17 | H16 | 80.1° | 179.3° |
| H13 | C22 | H14 | H15 | 119.9° | 120.0° |
| H16 | C17 | C16 | H26 | 164.1° | 4.2° |
| H16 | C17 | C16 | H27 | 42.3° | 125.7° |
| H17 | C21 | H18 | H19 | 120.0° | 120.0° |
| H20 | C12 | C11 | H22 | 77.5° | 58.0° |
| H20 | C12 | C11 | H23 | 40.7° | 60.9° |
| H21 | C12 | C11 | H22 | 42.0° | 178.9° |
| H21 | C12 | C11 | H23 | 160.3° | 60.0° |
| H22 | C11 | C10 | H24 | 44.9° | 48.3° |
| H22 | C11 | C10 | H25 | 74.8° | 167.7° |
| H23 | C11 | C10 | H24 | 163.2° | 70.6° |
| H23 | C11 | C10 | H25 | 43.4° | 48.8° |
| H26 | C16 | C15 | H28 | 5.9° | 23.3° |
| H26 | C16 | C15 | H29 | 127.4° | 146.6° |
| H27 | C16 | C15 | H28 | 116.0° | 98.3° |
| H27 | C16 | C15 | H29 | 5.6° | 25.1° |
| H28 | C15 | C14 | H30 | 150.2° | 43.0° |
| H29 | C15 | C14 | H30 | 28.6° | 166.3° |
| H31 | C8 | C7 | H32 | 172.1° | 174.5° |
| H33 | C1 | C2 | H41 | 96.1° | 49.4° |
| H34 | C1 | C2 | H41 | 22.0° | 71.1° |
| H35 | C5 | C4 | H37 | 170.2° | 49.4° |
| H36 | C5 | C4 | H37 | 50.4° | 169.9° |
| H37 | C4 | O2 | H38 | 57.1° | 59.6° |
| H41 | C2 | O1 | H42 | 62.8° | 60.4° |
