KLI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | N01 | sing | 1.38Å | 1.41Å | |
| N01 | C17 | sing | 1.46Å | 1.47Å | |
| N01 | C12 | sing | 1.34Å | 1.39Å | |
| C15 | N02 | sing | 1.35Å | 1.36Å | Aromatic |
| N02 | C16 | doub | 1.31Å | 1.33Å | Aromatic |
| N03 | C15 | doub | 1.31Å | 1.33Å | Aromatic |
| N03 | O38 | sing | 1.21Å | 1.41Å | Aromatic |
| C28 | N04 | sing | 1.47Å | 1.47Å | |
| N04 | C25 | sing | 1.47Å | 1.46Å | |
| N04 | C07 | sing | 1.39Å | 1.42Å | |
| C27 | N05 | sing | 1.47Å | 1.47Å | |
| C29 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | C26 | sing | 1.47Å | 1.47Å | |
| F43 | C06 | sing | 1.35Å | 1.36Å | |
| C06 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C11 | sing | 1.37Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C10 | C09 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C14 | sing | 1.47Å | 1.50Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | doub | 1.36Å | 1.35Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.47Å | 1.49Å | |
| C13 | C15 | sing | 1.48Å | 1.48Å | |
| O37 | C14 | doub | 1.22Å | 1.24Å | |
| O38 | C16 | sing | 1.34Å | 1.36Å | Aromatic |
| C16 | C30 | sing | 1.51Å | 1.49Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | F42 | sing | 1.35Å | 1.35Å | |
| F40 | C24 | sing | 1.40Å | 1.34Å | |
| C24 | F39 | sing | 1.40Å | 1.33Å | |
| C24 | F41 | sing | 1.40Å | 1.34Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N01 | C17 | 120.1° | 118.7° |
| C09 | N01 | C12 | 120.4° | 122.6° |
| N01 | C09 | C08 | 122.8° | 120.6° |
| N01 | C09 | C10 | 118.3° | 120.2° |
| C17 | N01 | C12 | 119.5° | 118.7° |
| N01 | C17 | C18 | 110.3° | 109.4° |
| N01 | C17 | H17 | 109.2° | 109.5° |
| N01 | C17 | H17A | 109.2° | 109.5° |
| N01 | C12 | C13 | 126.1° | 122.4° |
| N01 | C12 | H12 | 117.0° | 118.8° |
| C15 | N02 | C16 | 100.9° | 105.6° |
| N02 | C15 | N03 | 116.6° | 107.1° |
| N02 | C15 | C13 | 119.5° | 126.4° |
| N02 | C16 | O38 | 113.8° | 107.1° |
| N02 | C16 | C30 | 125.8° | 126.4° |
| C15 | N03 | O38 | 102.7° | 110.0° |
| N03 | C15 | C13 | 123.9° | 126.4° |
| N03 | O38 | C16 | 106.1° | 110.1° |
| C28 | N04 | C25 | 114.0° | 110.9° |
| C28 | N04 | C07 | 119.7° | 111.0° |
| N04 | C28 | C27 | 110.7° | 109.4° |
| N04 | C28 | H28 | 109.0° | 109.5° |
| N04 | C28 | H28A | 109.1° | 109.4° |
| C25 | N04 | C07 | 122.3° | 111.1° |
| N04 | C25 | C26 | 109.8° | 109.4° |
| N04 | C25 | H25 | 109.4° | 109.5° |
| N04 | C25 | H25A | 109.4° | 109.4° |
| N04 | C07 | C06 | 121.5° | 119.7° |
| N04 | C07 | C08 | 120.4° | 119.7° |
| C27 | N05 | C29 | 109.6° | 111.0° |
| C27 | N05 | C26 | 109.2° | 110.9° |
| N05 | C27 | C28 | 110.4° | 109.4° |
| N05 | C27 | H27 | 109.1° | 109.4° |
| N05 | C27 | H27A | 109.1° | 109.5° |
| C29 | N05 | C26 | 109.8° | 111.0° |
| N05 | C29 | H29 | 109.5° | 109.5° |
| N05 | C29 | H29A | 109.5° | 109.5° |
| N05 | C29 | H29B | 109.5° | 109.5° |
| N05 | C26 | C25 | 109.2° | 109.4° |
| N05 | C26 | H26 | 109.6° | 109.4° |
| N05 | C26 | H26A | 109.6° | 109.5° |
| F43 | C06 | C07 | 121.4° | 119.8° |
| F43 | C06 | C11 | 118.1° | 119.8° |
| C07 | C06 | C11 | 120.6° | 120.4° |
| C06 | C07 | C08 | 118.1° | 120.5° |
| C06 | C11 | C10 | 120.9° | 119.8° |
| C06 | C11 | H11 | 119.6° | 120.1° |
| C07 | C08 | C09 | 121.9° | 119.8° |
| C07 | C08 | H08 | 119.0° | 120.1° |
| C09 | C08 | H08 | 119.1° | 120.1° |
| C08 | C09 | C10 | 118.9° | 119.2° |
| C09 | C10 | C11 | 119.6° | 120.4° |
| C09 | C10 | C14 | 121.0° | 118.5° |
| C11 | C10 | C14 | 119.4° | 121.2° |
| C10 | C11 | H11 | 119.6° | 120.1° |
| C10 | C14 | C13 | 117.0° | 117.2° |
| C10 | C14 | O37 | 120.9° | 121.4° |
| C13 | C12 | H12 | 116.9° | 118.8° |
| C12 | C13 | C14 | 117.3° | 119.2° |
| C12 | C13 | C15 | 119.0° | 120.4° |
| C14 | C13 | C15 | 123.7° | 120.4° |
| C13 | C14 | O37 | 122.1° | 121.4° |
| O38 | C16 | C30 | 120.4° | 126.4° |
| C16 | C30 | C31 | 108.4° | 109.5° |
| C16 | C30 | H30 | 109.8° | 109.4° |
| C16 | C30 | H30A | 109.8° | 109.5° |
| C18 | C17 | H17 | 109.2° | 109.5° |
| C18 | C17 | H17A | 109.2° | 109.4° |
| C17 | C18 | C19 | 121.3° | 120.0° |
| C17 | C18 | C23 | 119.5° | 120.0° |
| H17 | C17 | H17A | 109.8° | 109.5° |
| C19 | C18 | C23 | 119.2° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C18 | C23 | C22 | 120.6° | 119.9° |
| C18 | C23 | F42 | 120.8° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.4° | 120.1° |
| C19 | C20 | H20 | 119.8° | 120.0° |
| C21 | C20 | H20 | 119.8° | 120.0° |
| C20 | C21 | C22 | 119.5° | 120.0° |
| C20 | C21 | C24 | 121.4° | 120.0° |
| C22 | C21 | C24 | 119.2° | 120.0° |
| C21 | C22 | C23 | 120.3° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C21 | C24 | F40 | 111.6° | 109.5° |
| C21 | C24 | F39 | 108.3° | 109.5° |
| C21 | C24 | F41 | 110.7° | 109.5° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | F42 | 118.6° | 120.1° |
| F40 | C24 | F39 | 109.1° | 109.5° |
| F40 | C24 | F41 | 109.0° | 109.4° |
| F39 | C24 | F41 | 108.1° | 109.5° |
| C26 | C25 | H25 | 109.4° | 109.5° |
| C26 | C25 | H25A | 109.4° | 109.5° |
| C25 | C26 | H26 | 109.6° | 109.4° |
| C25 | C26 | H26A | 109.6° | 109.5° |
| H25 | C25 | H25A | 109.6° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.6° |
| C28 | C27 | H27 | 109.2° | 109.5° |
| C28 | C27 | H27A | 109.2° | 109.5° |
| C27 | C28 | H28 | 109.1° | 109.5° |
| C27 | C28 | H28A | 109.1° | 109.5° |
| H27 | C27 | H27A | 109.8° | 109.5° |
| H28 | C28 | H28A | 109.9° | 109.5° |
| H29 | C29 | H29A | 109.5° | 109.4° |
| H29 | C29 | H29B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.4° | 109.4° |
| C31 | C30 | H30 | 109.8° | 109.5° |
| C31 | C30 | H30A | 109.8° | 109.5° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C30 | C31 | C36 | 120.6° | 120.0° |
| H30 | C30 | H30A | 109.1° | 109.5° |
| C32 | C31 | C36 | 119.5° | 120.0° |
| C31 | C32 | C33 | 120.5° | 120.0° |
| C31 | C32 | H32 | 119.7° | 120.0° |
| C31 | C36 | C35 | 119.9° | 120.0° |
| C31 | C36 | H36 | 120.1° | 120.0° |
| C33 | C32 | H32 | 119.7° | 120.0° |
| C32 | C33 | C34 | 119.8° | 120.0° |
| C32 | C33 | H33 | 120.1° | 120.0° |
| C34 | C33 | H33 | 120.1° | 120.0° |
| C33 | C34 | C35 | 119.8° | 120.0° |
| C33 | C34 | H34 | 120.1° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C34 | C35 | C36 | 120.4° | 120.0° |
| C34 | C35 | H35 | 119.8° | 120.0° |
| C36 | C35 | H35 | 119.8° | 120.0° |
| C35 | C36 | H36 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | N01 | C17 | C12 | 178.7° | 179.7° |
| N01 | C09 | C08 | C07 | 179.5° | 180.0° |
| N01 | C09 | C08 | C10 | 179.8° | 180.0° |
| N01 | C09 | C08 | H08 | 0.5° | 0.0° |
| N01 | C09 | C10 | C11 | 179.6° | 180.0° |
| N01 | C09 | C10 | C14 | 0.5° | 0.1° |
| C09 | N01 | C12 | C13 | 0.8° | 0.3° |
| C09 | N01 | C12 | H12 | 179.2° | 179.6° |
| C09 | N01 | C17 | C18 | 82.2° | 87.9° |
| C09 | N01 | C17 | H17 | 157.8° | 152.2° |
| C09 | N01 | C17 | H17A | 37.8° | 32.1° |
| C17 | N01 | C09 | C08 | 0.9° | 0.0° |
| C17 | N01 | C09 | C10 | 179.3° | 179.9° |
| C17 | N01 | C12 | C13 | 179.6° | 179.9° |
| C17 | N01 | C12 | H12 | 0.4° | 0.0° |
| N01 | C17 | C18 | H17 | 120.0° | 120.0° |
| N01 | C17 | C18 | H17A | 120.0° | 120.0° |
| N01 | C17 | H17 | H17A | 119.6° | 120.1° |
| N01 | C17 | C18 | C19 | 122.7° | 102.7° |
| N01 | C17 | C18 | C23 | 56.4° | 77.1° |
| C12 | N01 | C09 | C08 | 179.6° | 179.7° |
| C12 | N01 | C09 | C10 | 0.6° | 0.3° |
| N01 | C12 | C13 | H12 | 180.0° | 179.9° |
| N01 | C12 | C13 | C14 | 0.9° | 0.1° |
| N01 | C12 | C13 | C15 | 179.6° | 180.0° |
| C12 | N01 | C17 | C18 | 96.5° | 92.5° |
| C12 | N01 | C17 | H17 | 23.5° | 27.5° |
| C12 | N01 | C17 | H17A | 143.5° | 147.6° |
| N02 | C15 | N03 | C13 | 179.0° | 180.0° |
| N02 | C15 | N03 | O38 | 0.3° | 0.0° |
| N02 | C15 | C13 | C12 | 17.6° | 179.9° |
| N02 | C15 | C13 | C14 | 161.0° | 0.0° |
| C15 | N02 | C16 | O38 | 0.7° | 0.1° |
| C15 | N02 | C16 | C30 | 179.3° | 179.9° |
| C16 | N02 | C15 | N03 | 0.7° | 0.0° |
| N02 | C16 | O38 | N03 | 0.6° | 0.1° |
| C16 | N02 | C15 | C13 | 179.7° | 180.0° |
| N02 | C16 | O38 | C30 | 178.7° | 179.9° |
| N02 | C16 | C30 | C31 | 63.1° | 90.0° |
| N02 | C16 | C30 | H30 | 177.0° | 150.0° |
| N02 | C16 | C30 | H30A | 57.0° | 30.0° |
| N03 | C15 | C13 | C12 | 163.4° | 0.0° |
| N03 | C15 | C13 | C14 | 18.0° | 179.9° |
| C15 | N03 | O38 | C16 | 0.1° | 0.1° |
| O38 | N03 | C15 | C13 | 179.4° | 180.0° |
| N03 | O38 | C16 | C30 | 179.3° | 180.0° |
| C28 | N04 | C25 | C07 | 157.3° | 123.9° |
| N04 | C28 | C27 | N05 | 54.0° | 58.4° |
| C28 | N04 | C07 | C06 | 40.5° | 116.2° |
| C28 | N04 | C07 | C08 | 139.4° | 63.8° |
| C28 | N04 | C25 | C26 | 53.8° | 59.3° |
| C28 | N04 | C25 | H25 | 173.8° | 179.3° |
| C28 | N04 | C25 | H25A | 66.2° | 60.7° |
| N04 | C28 | C27 | H28 | 120.0° | 120.0° |
| N04 | C28 | C27 | H28A | 120.0° | 119.9° |
| N04 | C28 | C27 | H27 | 66.0° | 61.5° |
| N04 | C28 | C27 | H27A | 174.0° | 178.3° |
| N04 | C28 | H28 | H28A | 119.5° | 120.0° |
| N04 | C25 | C26 | N05 | 58.6° | 58.4° |
| C25 | N04 | C07 | C06 | 163.5° | 119.9° |
| C25 | N04 | C07 | C08 | 16.7° | 60.0° |
| N04 | C25 | C26 | H25 | 120.0° | 120.0° |
| N04 | C25 | C26 | H25A | 120.0° | 119.9° |
| N04 | C25 | H25 | H25A | 119.9° | 120.0° |
| N04 | C25 | C26 | H26 | 178.6° | 178.3° |
| N04 | C25 | C26 | H26A | 61.4° | 61.6° |
| C25 | N04 | C28 | C27 | 51.5° | 59.3° |
| C25 | N04 | C28 | H28 | 68.5° | 60.7° |
| C25 | N04 | C28 | H28A | 171.5° | 179.3° |
| N04 | C07 | C06 | F43 | 0.4° | 0.1° |
| N04 | C07 | C06 | C08 | 179.9° | 179.9° |
| N04 | C07 | C06 | C11 | 179.9° | 180.0° |
| N04 | C07 | C08 | C09 | 179.8° | 180.0° |
| N04 | C07 | C08 | H08 | 0.2° | 0.0° |
| C07 | N04 | C25 | C26 | 149.0° | 176.8° |
| C07 | N04 | C25 | H25 | 28.9° | 56.8° |
| C07 | N04 | C25 | H25A | 91.0° | 63.2° |
| C07 | N04 | C28 | C27 | 150.6° | 176.8° |
| C07 | N04 | C28 | H28 | 89.4° | 63.2° |
| C07 | N04 | C28 | H28A | 30.5° | 56.8° |
| C27 | N05 | C29 | C26 | 120.0° | 123.8° |
| C27 | N05 | C26 | C25 | 62.9° | 59.3° |
| C27 | N05 | C26 | H26 | 177.1° | 179.2° |
| C27 | N05 | C26 | H26A | 57.1° | 60.7° |
| N05 | C27 | C28 | H27 | 120.0° | 119.9° |
| N05 | C27 | C28 | H27A | 120.0° | 119.9° |
| N05 | C27 | H27 | H27A | 119.6° | 120.0° |
| N05 | C27 | C28 | H28 | 66.0° | 61.6° |
| N05 | C27 | C28 | H28A | 174.0° | 178.3° |
| C27 | N05 | C29 | H29 | 180.0° | 176.2° |
| C27 | N05 | C29 | H29A | 60.0° | 56.2° |
| C27 | N05 | C29 | H29B | 60.0° | 63.8° |
| C29 | N05 | C26 | C25 | 176.9° | 176.8° |
| C29 | N05 | C26 | H26 | 56.9° | 56.9° |
| C29 | N05 | C26 | H26A | 63.1° | 63.2° |
| C29 | N05 | C27 | C28 | 178.9° | 176.8° |
| C29 | N05 | C27 | H27 | 61.1° | 63.2° |
| C29 | N05 | C27 | H27A | 58.9° | 56.8° |
| N05 | C29 | H29 | H29A | 120.0° | 120.0° |
| N05 | C29 | H29 | H29B | 120.0° | 120.0° |
| N05 | C29 | H29A | H29B | 120.0° | 120.0° |
| N05 | C26 | C25 | H26 | 120.0° | 119.9° |
| N05 | C26 | C25 | H26A | 120.0° | 120.0° |
| N05 | C26 | C25 | H25 | 178.7° | 178.4° |
| N05 | C26 | C25 | H25A | 61.4° | 61.5° |
| N05 | C26 | H26 | H26A | 120.1° | 120.1° |
| C26 | N05 | C27 | C28 | 60.7° | 59.3° |
| C26 | N05 | C27 | H27 | 59.3° | 60.6° |
| C26 | N05 | C27 | H27A | 179.3° | 179.3° |
| C26 | N05 | C29 | H29 | 60.0° | 60.0° |
| C26 | N05 | C29 | H29A | 180.0° | 180.0° |
| C26 | N05 | C29 | H29B | 60.0° | 60.0° |
| F43 | C06 | C07 | C11 | 179.6° | 179.9° |
| F43 | C06 | C07 | C08 | 179.7° | 180.0° |
| F43 | C06 | C11 | C10 | 179.8° | 179.9° |
| F43 | C06 | C11 | H11 | 0.2° | 0.1° |
| C06 | C07 | C08 | C09 | 0.1° | 0.1° |
| C06 | C07 | C08 | H08 | 179.9° | 179.9° |
| C07 | C06 | C11 | C10 | 0.2° | 0.0° |
| C07 | C06 | C11 | H11 | 179.8° | 180.0° |
| C11 | C06 | C07 | C08 | 0.2° | 0.1° |
| C06 | C11 | C10 | C09 | 0.0° | 0.0° |
| C06 | C11 | C10 | H11 | 180.0° | 180.0° |
| C06 | C11 | C10 | C14 | 179.9° | 180.0° |
| C07 | C08 | C09 | H08 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.3° | 0.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C08 | C09 | C10 | C14 | 179.7° | 180.0° |
| H08 | C08 | C09 | C10 | 179.7° | 180.0° |
| C09 | C10 | C11 | C14 | 179.9° | 180.0° |
| C09 | C10 | C11 | H11 | 180.0° | 180.0° |
| C09 | C10 | C14 | C13 | 0.6° | 0.4° |
| C09 | C10 | C14 | O37 | 179.8° | 180.0° |
| C11 | C10 | C14 | C13 | 179.5° | 179.6° |
| C11 | C10 | C14 | O37 | 0.3° | 0.0° |
| C14 | C10 | C11 | H11 | 0.1° | 0.0° |
| C10 | C14 | C13 | C12 | 0.8° | 0.4° |
| C10 | C14 | C13 | O37 | 179.2° | 179.6° |
| C10 | C14 | C13 | C15 | 179.4° | 179.7° |
| C12 | C13 | C14 | C15 | 178.6° | 179.9° |
| C12 | C13 | C14 | O37 | 180.0° | 180.0° |
| H12 | C12 | C13 | C14 | 179.1° | 180.0° |
| H12 | C12 | C13 | C15 | 0.3° | 0.1° |
| C15 | C13 | C14 | O37 | 1.4° | 0.1° |
| O38 | C16 | C30 | C31 | 115.4° | 89.9° |
| O38 | C16 | C30 | H30 | 4.5° | 30.1° |
| O38 | C16 | C30 | H30A | 124.5° | 150.1° |
| C16 | C30 | C31 | H30 | 120.0° | 120.0° |
| C16 | C30 | C31 | H30A | 120.0° | 120.0° |
| C16 | C30 | H30 | H30A | 120.4° | 120.0° |
| C16 | C30 | C31 | C32 | 79.4° | 90.0° |
| C16 | C30 | C31 | C36 | 99.7° | 90.3° |
| C18 | C17 | H17 | H17A | 119.7° | 120.0° |
| C17 | C18 | C19 | C23 | 179.1° | 179.8° |
| C17 | C18 | C19 | C20 | 179.5° | 180.0° |
| C17 | C18 | C19 | H19 | 0.4° | 0.1° |
| C17 | C18 | C23 | C22 | 179.5° | 179.7° |
| C17 | C18 | C23 | F42 | 0.6° | 0.1° |
| H17 | C17 | C18 | C19 | 117.3° | 137.3° |
| H17 | C17 | C18 | C23 | 63.7° | 42.9° |
| H17A | C17 | C18 | C19 | 2.7° | 17.3° |
| H17A | C17 | C18 | C23 | 176.3° | 162.9° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C19 | C18 | C23 | C22 | 0.4° | 0.5° |
| C19 | C18 | C23 | F42 | 179.7° | 179.7° |
| C23 | C18 | C19 | C20 | 0.5° | 0.2° |
| C23 | C18 | C19 | H19 | 179.5° | 179.7° |
| C18 | C23 | C22 | C21 | 0.0° | 0.6° |
| C18 | C23 | C22 | F42 | 179.9° | 179.8° |
| C18 | C23 | C22 | H22 | 180.0° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | C24 | 179.7° | 180.0° |
| H19 | C19 | C20 | C21 | 179.8° | 180.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.1° |
| C20 | C21 | C22 | C24 | 179.6° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.3° |
| C20 | C21 | C22 | H22 | 179.8° | 180.0° |
| C20 | C21 | C24 | F40 | 35.0° | 150.0° |
| C20 | C21 | C24 | F39 | 85.1° | 90.0° |
| C20 | C21 | C24 | F41 | 156.6° | 30.0° |
| H20 | C20 | C21 | C22 | 179.9° | 179.9° |
| H20 | C20 | C21 | C24 | 0.3° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | F42 | 179.9° | 179.7° |
| C22 | C21 | C24 | F40 | 145.4° | 30.0° |
| C22 | C21 | C24 | F39 | 94.5° | 90.0° |
| C22 | C21 | C24 | F41 | 23.8° | 149.9° |
| C24 | C21 | C22 | C23 | 179.8° | 179.7° |
| C24 | C21 | C22 | H22 | 0.2° | 0.0° |
| C21 | C24 | F40 | F39 | 119.6° | 120.0° |
| C21 | C24 | F40 | F41 | 122.5° | 120.0° |
| C21 | C24 | F39 | F41 | 119.9° | 120.0° |
| H22 | C22 | C23 | F42 | 0.1° | 0.1° |
| F40 | C24 | F39 | F41 | 118.4° | 120.0° |
| C26 | C25 | H25 | H25A | 119.8° | 120.1° |
| C25 | C26 | H26 | H26A | 120.1° | 120.1° |
| H25 | C25 | C26 | H26 | 61.4° | 61.7° |
| H25 | C25 | C26 | H26A | 58.7° | 58.4° |
| H25A | C25 | C26 | H26 | 58.6° | 58.4° |
| H25A | C25 | C26 | H26A | 178.6° | 178.5° |
| C28 | C27 | H27 | H27A | 119.6° | 120.1° |
| C27 | C28 | H28 | H28A | 119.5° | 120.1° |
| H27 | C27 | C28 | H28 | 174.0° | 178.5° |
| H27 | C27 | C28 | H28A | 54.1° | 58.4° |
| H27A | C27 | C28 | H28 | 54.0° | 58.4° |
| H27A | C27 | C28 | H28A | 66.0° | 61.7° |
| H29 | C29 | H29A | H29B | 120.0° | 120.0° |
| C31 | C30 | H30 | H30A | 120.4° | 120.0° |
| C30 | C31 | C32 | C36 | 179.2° | 179.7° |
| C30 | C31 | C32 | C33 | 179.8° | 180.0° |
| C30 | C31 | C32 | H32 | 0.3° | 0.0° |
| C30 | C31 | C36 | C35 | 179.8° | 179.8° |
| C30 | C31 | C36 | H36 | 0.1° | 0.0° |
| H30 | C30 | C31 | C32 | 160.6° | 30.0° |
| H30 | C30 | C31 | C36 | 20.3° | 149.8° |
| H30A | C30 | C31 | C32 | 40.6° | 150.0° |
| H30A | C30 | C31 | C36 | 140.3° | 29.7° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.2° | 0.1° |
| C31 | C32 | C33 | H33 | 179.8° | 179.9° |
| C32 | C31 | C36 | C35 | 0.7° | 0.5° |
| C32 | C31 | C36 | H36 | 179.3° | 179.7° |
| C36 | C31 | C32 | C33 | 0.6° | 0.2° |
| C36 | C31 | C32 | H32 | 179.4° | 179.7° |
| C31 | C36 | C35 | C34 | 0.4° | 0.4° |
| C31 | C36 | C35 | H36 | 180.0° | 179.8° |
| C31 | C36 | C35 | H35 | 179.6° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.0° | 0.1° |
| C32 | C33 | C34 | H34 | 180.0° | 180.0° |
| H32 | C32 | C33 | C34 | 179.8° | 180.0° |
| H32 | C32 | C33 | H33 | 0.2° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.2° |
| C33 | C34 | C35 | H35 | 179.9° | 180.0° |
| H33 | C33 | C34 | C35 | 179.9° | 180.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 179.5° | 179.7° |
| H34 | C34 | C35 | C36 | 179.9° | 179.8° |
| H34 | C34 | C35 | H35 | 0.1° | 0.1° |
| H35 | C35 | C36 | H36 | 0.5° | 0.1° |
