LX2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F40 | C37 | sing | 1.40Å | 1.32Å | |
| F38 | C37 | sing | 1.40Å | 1.33Å | |
| C37 | F39 | sing | 1.40Å | 1.32Å | |
| C37 | C34 | sing | 1.51Å | 1.51Å | |
| C35 | C34 | doub | 1.38Å | 1.48Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| CL36 | C35 | sing | 1.74Å | 1.78Å | |
| C35 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | N14 | sing | 1.47Å | 1.46Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| N14 | C13 | sing | 1.47Å | 1.46Å | |
| N14 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | C23 | sing | 1.51Å | 1.48Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | O10 | sing | 1.43Å | 1.43Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| O10 | C9 | sing | 1.36Å | 1.37Å | |
| C9 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.46Å | 1.38Å | Aromatic |
| C8 | C44 | sing | 1.41Å | 1.37Å | Aromatic |
| N5 | C44 | sing | 1.38Å | 1.34Å | Aromatic |
| C44 | C43 | doub | 1.39Å | 1.44Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.34Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | N5 | sing | 1.37Å | 1.36Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N5 | C4 | sing | 1.46Å | 1.46Å | |
| C4 | C2 | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O3 | C2 | doub | 1.21Å | 1.25Å | |
| C2 | O1 | sing | 1.34Å | 1.24Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F40 | C37 | F38 | 107.7° | 109.5° |
| F40 | C37 | F39 | 108.7° | 109.5° |
| F40 | C37 | C34 | 108.5° | 109.5° |
| F38 | C37 | F39 | 109.7° | 109.4° |
| F38 | C37 | C34 | 112.1° | 109.5° |
| F39 | C37 | C34 | 110.0° | 109.5° |
| C37 | C34 | C35 | 119.9° | 120.0° |
| C37 | C34 | C33 | 122.3° | 120.0° |
| C35 | C34 | C33 | 117.8° | 120.0° |
| C34 | C35 | CL36 | 116.9° | 120.0° |
| C34 | C35 | C30 | 121.3° | 120.0° |
| C34 | C33 | C32 | 119.4° | 120.0° |
| C34 | C33 | H33 | 120.3° | 119.9° |
| CL36 | C35 | C30 | 121.8° | 120.0° |
| C35 | C30 | C31 | 118.9° | 120.0° |
| C35 | C30 | C29 | 121.1° | 120.0° |
| C32 | C33 | H33 | 120.3° | 120.0° |
| C33 | C32 | C31 | 122.7° | 120.0° |
| C33 | C32 | H32 | 118.6° | 120.0° |
| C31 | C32 | H32 | 118.6° | 120.0° |
| C32 | C31 | C30 | 119.9° | 120.0° |
| C32 | C31 | H31 | 120.0° | 120.0° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C31 | C30 | C29 | 120.0° | 120.0° |
| C30 | C29 | N14 | 113.1° | 109.5° |
| C30 | C29 | H29 | 108.3° | 109.5° |
| C30 | C29 | H29A | 107.4° | 109.5° |
| N14 | C29 | H29 | 108.2° | 109.5° |
| N14 | C29 | H29A | 107.4° | 109.4° |
| C29 | N14 | C13 | 114.8° | 111.0° |
| C29 | N14 | C15 | 115.4° | 111.0° |
| H29 | C29 | H29A | 112.4° | 109.5° |
| C13 | N14 | C15 | 114.9° | 111.0° |
| N14 | C13 | C12 | 108.9° | 109.5° |
| N14 | C13 | H13 | 109.7° | 109.5° |
| N14 | C13 | H13A | 109.8° | 109.5° |
| N14 | C15 | C16 | 111.1° | 109.5° |
| N14 | C15 | H15 | 108.9° | 109.5° |
| N14 | C15 | H15A | 108.6° | 109.4° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C16 | C15 | H15A | 108.6° | 109.5° |
| C15 | C16 | C17 | 108.7° | 109.5° |
| C15 | C16 | C23 | 111.4° | 109.5° |
| C15 | C16 | H16 | 108.8° | 109.5° |
| H15 | C15 | H15A | 110.7° | 109.4° |
| C17 | C16 | C23 | 109.9° | 109.5° |
| C17 | C16 | H16 | 110.3° | 109.5° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | C22 | 120.9° | 120.0° |
| C23 | C16 | H16 | 107.6° | 109.5° |
| C16 | C23 | C28 | 120.2° | 120.0° |
| C16 | C23 | C24 | 119.8° | 120.0° |
| C28 | C23 | C24 | 120.0° | 120.0° |
| C23 | C28 | C27 | 120.0° | 120.0° |
| C23 | C28 | H28 | 120.0° | 120.1° |
| C23 | C24 | C25 | 119.8° | 120.0° |
| C23 | C24 | H24 | 120.1° | 120.0° |
| C25 | C24 | H24 | 120.1° | 120.0° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | C27 | 119.8° | 120.0° |
| C25 | C26 | H26 | 120.1° | 120.0° |
| C27 | C26 | H26 | 120.1° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C18 | C17 | C22 | 118.9° | 120.0° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| C17 | C22 | C21 | 120.6° | 120.1° |
| C17 | C22 | H22 | 119.7° | 120.0° |
| C19 | C18 | H18 | 119.6° | 120.0° |
| C18 | C19 | C20 | 120.5° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C19 | C20 | C21 | 118.9° | 120.0° |
| C19 | C20 | H20 | 120.5° | 120.0° |
| C21 | C20 | H20 | 120.6° | 120.0° |
| C20 | C21 | C22 | 120.4° | 119.9° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | H22 | 119.7° | 120.0° |
| C12 | C13 | H13 | 109.7° | 109.5° |
| C12 | C13 | H13A | 109.8° | 109.5° |
| C13 | C12 | C11 | 107.9° | 109.5° |
| C13 | C12 | H12 | 110.0° | 109.5° |
| C13 | C12 | H12A | 110.4° | 109.5° |
| H13 | C13 | H13A | 109.0° | 109.4° |
| C11 | C12 | H12 | 110.0° | 109.5° |
| C11 | C12 | H12A | 110.3° | 109.4° |
| C12 | C11 | O10 | 114.5° | 109.5° |
| C12 | C11 | H11 | 107.8° | 109.4° |
| C12 | C11 | H11A | 106.7° | 109.5° |
| H12 | C12 | H12A | 108.2° | 109.5° |
| O10 | C11 | H11 | 107.8° | 109.5° |
| O10 | C11 | H11A | 106.7° | 109.5° |
| C11 | O10 | C9 | 117.4° | 117.0° |
| H11 | C11 | H11A | 113.5° | 109.5° |
| O10 | C9 | C8 | 120.6° | 120.2° |
| O10 | C9 | C41 | 120.2° | 120.2° |
| C8 | C9 | C41 | 119.2° | 119.6° |
| C9 | C8 | C7 | 125.0° | 134.0° |
| C9 | C8 | C44 | 123.6° | 119.9° |
| C9 | C41 | C42 | 120.0° | 120.3° |
| C9 | C41 | H41 | 120.0° | 119.9° |
| C7 | C8 | C44 | 111.4° | 106.1° |
| C8 | C7 | C6 | 103.0° | 107.0° |
| C8 | C7 | H7 | 128.5° | 126.5° |
| C8 | C44 | N5 | 106.8° | 107.2° |
| C8 | C44 | C43 | 117.0° | 119.5° |
| N5 | C44 | C43 | 136.2° | 133.3° |
| C44 | N5 | C6 | 108.4° | 109.8° |
| C44 | N5 | C4 | 126.2° | 125.1° |
| C44 | C43 | C42 | 120.1° | 120.0° |
| C44 | C43 | H43 | 119.9° | 120.0° |
| C42 | C43 | H43 | 119.9° | 120.0° |
| C43 | C42 | C41 | 120.1° | 120.7° |
| C43 | C42 | H42 | 120.0° | 119.6° |
| C41 | C42 | H42 | 119.9° | 119.7° |
| C42 | C41 | H41 | 120.0° | 119.8° |
| C6 | C7 | H7 | 128.5° | 126.5° |
| C7 | C6 | N5 | 110.4° | 109.9° |
| C7 | C6 | H6 | 124.8° | 125.0° |
| N5 | C6 | H6 | 124.8° | 125.0° |
| C6 | N5 | C4 | 125.4° | 125.1° |
| N5 | C4 | C2 | 107.2° | 109.5° |
| N5 | C4 | H4 | 110.2° | 109.5° |
| N5 | C4 | H4A | 110.7° | 109.4° |
| C2 | C4 | H4 | 110.2° | 109.5° |
| C2 | C4 | H4A | 110.7° | 109.5° |
| C4 | C2 | O3 | 118.3° | 120.0° |
| C4 | C2 | O1 | 118.6° | 120.0° |
| H4 | C4 | H4A | 107.7° | 109.5° |
| O3 | C2 | O1 | 123.1° | 120.1° |
| C2 | O1 | HO1 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F40 | C37 | F38 | F39 | 118.2° | 119.9° |
| F40 | C37 | F38 | C34 | 119.3° | 120.1° |
| F40 | C37 | F39 | C34 | 118.7° | 120.1° |
| F40 | C37 | C34 | C35 | 70.9° | 177.5° |
| F40 | C37 | C34 | C33 | 107.6° | 2.8° |
| F38 | C37 | F39 | C34 | 123.8° | 120.0° |
| F38 | C37 | C34 | C35 | 47.9° | 57.5° |
| F38 | C37 | C34 | C33 | 133.5° | 122.9° |
| F39 | C37 | C34 | C35 | 170.3° | 62.5° |
| F39 | C37 | C34 | C33 | 11.2° | 117.2° |
| C37 | C34 | C35 | C33 | 178.6° | 179.7° |
| C37 | C34 | C35 | CL36 | 1.5° | 0.0° |
| C37 | C34 | C35 | C30 | 179.1° | 180.0° |
| C37 | C34 | C33 | C32 | 179.0° | 180.0° |
| C37 | C34 | C33 | H33 | 1.0° | 0.0° |
| C34 | C35 | CL36 | C30 | 179.4° | 180.0° |
| C35 | C34 | C33 | C32 | 0.4° | 0.3° |
| C35 | C34 | C33 | H33 | 179.5° | 179.7° |
| C34 | C35 | C30 | C31 | 0.3° | 0.0° |
| C34 | C35 | C30 | C29 | 179.5° | 180.0° |
| C33 | C34 | C35 | CL36 | 180.0° | 179.7° |
| C33 | C34 | C35 | C30 | 0.5° | 0.3° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.2° | 0.1° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| CL36 | C35 | C30 | C31 | 179.7° | 180.0° |
| CL36 | C35 | C30 | C29 | 0.0° | 0.0° |
| C35 | C30 | C31 | C32 | 0.0° | 0.2° |
| C35 | C30 | C31 | C29 | 179.7° | 180.0° |
| C35 | C30 | C31 | H31 | 180.0° | 180.0° |
| C35 | C30 | C29 | N14 | 136.9° | 89.3° |
| C35 | C30 | C29 | H29 | 103.1° | 150.6° |
| C35 | C30 | C29 | H29A | 18.5° | 30.6° |
| C33 | C32 | C31 | H32 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.1° | 0.2° |
| C33 | C32 | C31 | H31 | 179.9° | 180.0° |
| H33 | C33 | C32 | C31 | 179.8° | 180.0° |
| H33 | C33 | C32 | H32 | 0.1° | 0.0° |
| C32 | C31 | C30 | H31 | 180.0° | 179.8° |
| C32 | C31 | C30 | C29 | 179.8° | 179.8° |
| H32 | C32 | C31 | C30 | 179.9° | 179.8° |
| H32 | C32 | C31 | H31 | 0.1° | 0.0° |
| C31 | C30 | C29 | N14 | 43.4° | 90.7° |
| C31 | C30 | C29 | H29 | 76.6° | 29.4° |
| C31 | C30 | C29 | H29A | 161.8° | 149.4° |
| H31 | C31 | C30 | C29 | 0.2° | 0.0° |
| C30 | C29 | N14 | H29 | 120.0° | 120.0° |
| C30 | C29 | N14 | H29A | 118.4° | 120.0° |
| C30 | C29 | H29 | H29A | 118.5° | 120.0° |
| C30 | C29 | N14 | C13 | 152.7° | 66.8° |
| C30 | C29 | N14 | C15 | 70.2° | 57.2° |
| N14 | C29 | H29 | H29A | 118.5° | 120.0° |
| C29 | N14 | C13 | C15 | 137.3° | 124.0° |
| C29 | N14 | C15 | C16 | 153.6° | 73.5° |
| C29 | N14 | C15 | H15 | 86.4° | 166.4° |
| C29 | N14 | C15 | H15A | 34.2° | 46.5° |
| C29 | N14 | C13 | C12 | 59.8° | 76.0° |
| C29 | N14 | C13 | H13 | 60.2° | 44.0° |
| C29 | N14 | C13 | H13A | 179.9° | 164.0° |
| H29 | C29 | N14 | C13 | 32.7° | 173.2° |
| H29 | C29 | N14 | C15 | 169.8° | 62.8° |
| H29A | C29 | N14 | C13 | 88.9° | 53.2° |
| H29A | C29 | N14 | C15 | 48.2° | 177.2° |
| C13 | N14 | C15 | C16 | 69.4° | 162.5° |
| C13 | N14 | C15 | H15 | 50.6° | 42.4° |
| C13 | N14 | C15 | H15A | 171.3° | 77.5° |
| N14 | C13 | C12 | H13 | 120.0° | 120.0° |
| N14 | C13 | C12 | H13A | 120.2° | 120.0° |
| N14 | C13 | H13 | H13A | 120.2° | 120.0° |
| N14 | C13 | C12 | C11 | 111.2° | 175.0° |
| N14 | C13 | C12 | H12 | 8.8° | 55.0° |
| N14 | C13 | C12 | H12A | 128.1° | 65.1° |
| N14 | C15 | C16 | H15 | 120.0° | 120.0° |
| N14 | C15 | C16 | H15A | 119.3° | 120.0° |
| N14 | C15 | H15 | H15A | 119.3° | 119.9° |
| N14 | C15 | C16 | C17 | 168.7° | 176.2° |
| N14 | C15 | C16 | C23 | 70.0° | 63.8° |
| N14 | C15 | C16 | H16 | 48.5° | 56.2° |
| C15 | N14 | C13 | C12 | 162.8° | 160.0° |
| C15 | N14 | C13 | H13 | 77.2° | 80.0° |
| C15 | N14 | C13 | H13A | 42.6° | 40.0° |
| C16 | C15 | H15 | H15A | 119.3° | 120.0° |
| C15 | C16 | C17 | C23 | 122.2° | 120.0° |
| C15 | C16 | C17 | H16 | 119.3° | 120.0° |
| C15 | C16 | C23 | H16 | 119.2° | 120.0° |
| C15 | C16 | C23 | C28 | 52.8° | 61.9° |
| C15 | C16 | C23 | C24 | 128.4° | 117.8° |
| C15 | C16 | C17 | C18 | 29.3° | 130.6° |
| C15 | C16 | C17 | C22 | 148.8° | 49.6° |
| H15 | C15 | C16 | C17 | 48.7° | 63.8° |
| H15 | C15 | C16 | C23 | 170.0° | 56.2° |
| H15 | C15 | C16 | H16 | 71.5° | 176.2° |
| H15A | C15 | C16 | C17 | 72.0° | 56.2° |
| H15A | C15 | C16 | C23 | 49.3° | 176.2° |
| H15A | C15 | C16 | H16 | 167.8° | 63.8° |
| C17 | C16 | C23 | H16 | 120.2° | 120.0° |
| C17 | C16 | C23 | C28 | 67.8° | 58.1° |
| C17 | C16 | C23 | C24 | 111.0° | 122.2° |
| C16 | C17 | C18 | C22 | 178.1° | 179.8° |
| C16 | C17 | C18 | C19 | 179.3° | 180.0° |
| C16 | C17 | C18 | H18 | 0.7° | 0.0° |
| C16 | C17 | C22 | C21 | 179.3° | 179.8° |
| C16 | C17 | C22 | H22 | 0.8° | 0.0° |
| C16 | C23 | C28 | C24 | 178.8° | 179.7° |
| C16 | C23 | C24 | C25 | 179.8° | 180.0° |
| C16 | C23 | C24 | H24 | 0.2° | 0.0° |
| C16 | C23 | C28 | C27 | 179.9° | 179.8° |
| C16 | C23 | C28 | H28 | 0.1° | 0.0° |
| C23 | C16 | C17 | C18 | 92.9° | 109.4° |
| C23 | C16 | C17 | C22 | 89.0° | 70.4° |
| H16 | C16 | C23 | C28 | 172.0° | 178.1° |
| H16 | C16 | C23 | C24 | 9.2° | 2.2° |
| H16 | C16 | C17 | C18 | 148.5° | 10.6° |
| H16 | C16 | C17 | C22 | 29.5° | 169.6° |
| C28 | C23 | C24 | C25 | 1.0° | 0.3° |
| C28 | C23 | C24 | H24 | 179.0° | 179.7° |
| C23 | C28 | C27 | C26 | 0.8° | 0.5° |
| C23 | C28 | C27 | H28 | 180.0° | 179.8° |
| C23 | C28 | C27 | H27 | 179.2° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C23 | C28 | C27 | 1.3° | 0.5° |
| C24 | C23 | C28 | H28 | 178.7° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.5° | 0.1° |
| C24 | C25 | C26 | H26 | 179.5° | 180.0° |
| H24 | C24 | C25 | C26 | 179.9° | 180.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.2° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| H25 | C25 | C26 | C27 | 179.5° | 180.0° |
| H25 | C25 | C26 | H26 | 0.5° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | H28 | 179.2° | 179.7° |
| H26 | C26 | C27 | C28 | 179.9° | 179.7° |
| H26 | C26 | C27 | H27 | 0.2° | 0.1° |
| H27 | C27 | C28 | H28 | 0.7° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C17 | C18 | C19 | H19 | 179.2° | 180.0° |
| C18 | C17 | C22 | C21 | 1.2° | 0.4° |
| C18 | C17 | C22 | H22 | 178.8° | 179.7° |
| C22 | C17 | C18 | C19 | 1.2° | 0.2° |
| C22 | C17 | C18 | H18 | 178.8° | 179.7° |
| C17 | C22 | C21 | C20 | 0.8° | 0.4° |
| C17 | C22 | C21 | H22 | 180.0° | 179.8° |
| C17 | C22 | C21 | H21 | 179.2° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.1° |
| C18 | C19 | C20 | H20 | 179.6° | 180.0° |
| H18 | C18 | C19 | C20 | 179.2° | 180.0° |
| H18 | C18 | C19 | H19 | 0.8° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.4° | 0.1° |
| C19 | C20 | C21 | H21 | 179.6° | 180.0° |
| H19 | C19 | C20 | C21 | 179.6° | 180.0° |
| H19 | C19 | C20 | H20 | 0.4° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 179.2° | 179.8° |
| H20 | C20 | C21 | C22 | 179.6° | 179.8° |
| H20 | C20 | C21 | H21 | 0.4° | 0.1° |
| H21 | C21 | C22 | H22 | 0.8° | 0.1° |
| C12 | C13 | H13 | H13A | 120.3° | 120.0° |
| C13 | C12 | C11 | H12 | 120.0° | 120.0° |
| C13 | C12 | C11 | H12A | 120.6° | 120.0° |
| C13 | C12 | H12 | H12A | 120.6° | 120.0° |
| C13 | C12 | C11 | O10 | 178.6° | 174.8° |
| C13 | C12 | C11 | H11 | 61.4° | 54.9° |
| C13 | C12 | C11 | H11A | 60.8° | 65.1° |
| H13 | C13 | C12 | C11 | 128.8° | 65.0° |
| H13 | C13 | C12 | H12 | 111.2° | 174.9° |
| H13 | C13 | C12 | H12A | 8.1° | 54.9° |
| H13A | C13 | C12 | C11 | 9.0° | 54.9° |
| H13A | C13 | C12 | H12 | 129.0° | 65.1° |
| H13A | C13 | C12 | H12A | 111.6° | 174.9° |
| C11 | C12 | H12 | H12A | 120.6° | 119.9° |
| C12 | C11 | O10 | H11 | 120.0° | 120.0° |
| C12 | C11 | O10 | H11A | 117.8° | 120.0° |
| C12 | C11 | H11 | H11A | 117.9° | 120.0° |
| C12 | C11 | O10 | C9 | 179.9° | 180.0° |
| H12 | C12 | C11 | O10 | 58.6° | 65.1° |
| H12 | C12 | C11 | H11 | 178.6° | 174.9° |
| H12 | C12 | C11 | H11A | 59.2° | 54.9° |
| H12A | C12 | C11 | O10 | 60.8° | 54.8° |
| H12A | C12 | C11 | H11 | 59.2° | 65.1° |
| H12A | C12 | C11 | H11A | 178.6° | 174.9° |
| O10 | C11 | H11 | H11A | 118.0° | 120.1° |
| C11 | O10 | C9 | C8 | 130.2° | 180.0° |
| C11 | O10 | C9 | C41 | 49.5° | 0.3° |
| H11 | C11 | O10 | C9 | 59.9° | 60.1° |
| H11A | C11 | O10 | C9 | 62.3° | 60.0° |
| O10 | C9 | C8 | C41 | 179.6° | 179.7° |
| O10 | C9 | C8 | C7 | 0.9° | 0.1° |
| O10 | C9 | C8 | C44 | 179.7° | 180.0° |
| O10 | C9 | C41 | C42 | 179.7° | 179.8° |
| O10 | C9 | C41 | H41 | 0.3° | 0.0° |
| C9 | C8 | C7 | C44 | 179.5° | 179.9° |
| C9 | C8 | C44 | N5 | 179.4° | 180.0° |
| C9 | C8 | C44 | C43 | 0.0° | 0.1° |
| C8 | C9 | C41 | C42 | 0.1° | 0.5° |
| C8 | C9 | C41 | H41 | 179.9° | 179.7° |
| C9 | C8 | C7 | C6 | 180.0° | 179.9° |
| C9 | C8 | C7 | H7 | 0.0° | 0.0° |
| C41 | C9 | C8 | C7 | 179.5° | 179.8° |
| C41 | C9 | C8 | C44 | 0.0° | 0.3° |
| C9 | C41 | C42 | C43 | 0.1° | 0.5° |
| C9 | C41 | C42 | H41 | 180.0° | 179.8° |
| C9 | C41 | C42 | H42 | 179.9° | 179.8° |
| C7 | C8 | C44 | N5 | 0.1° | 0.1° |
| C7 | C8 | C44 | C43 | 179.5° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | N5 | 1.0° | 0.0° |
| C8 | C7 | C6 | H6 | 178.9° | 180.0° |
| C8 | C44 | N5 | C43 | 179.1° | 179.9° |
| C8 | C44 | C43 | C42 | 0.0° | 0.1° |
| C8 | C44 | C43 | H43 | 180.0° | 179.9° |
| C44 | C8 | C7 | C6 | 0.5° | 0.1° |
| C44 | C8 | C7 | H7 | 179.5° | 179.9° |
| C8 | C44 | N5 | C6 | 0.8° | 0.0° |
| C8 | C44 | N5 | C4 | 179.5° | 180.0° |
| N5 | C44 | C43 | C42 | 179.1° | 180.0° |
| N5 | C44 | C43 | H43 | 0.9° | 0.0° |
| C44 | N5 | C6 | C7 | 1.2° | 0.0° |
| C44 | N5 | C6 | C4 | 178.7° | 180.0° |
| C44 | N5 | C6 | H6 | 178.8° | 179.9° |
| C44 | N5 | C4 | C2 | 91.5° | 84.9° |
| C44 | N5 | C4 | H4 | 28.5° | 155.1° |
| C44 | N5 | C4 | H4A | 147.6° | 35.1° |
| C44 | C43 | C42 | H43 | 180.0° | 180.0° |
| C44 | C43 | C42 | C41 | 0.0° | 0.2° |
| C44 | C43 | C42 | H42 | 180.0° | 180.0° |
| C43 | C44 | N5 | C6 | 179.9° | 180.0° |
| C43 | C44 | N5 | C4 | 1.4° | 0.1° |
| C43 | C42 | C41 | H42 | 180.0° | 179.8° |
| C43 | C42 | C41 | H41 | 179.9° | 179.7° |
| H43 | C43 | C42 | C41 | 180.0° | 179.7° |
| H43 | C43 | C42 | H42 | 0.0° | 0.0° |
| H42 | C42 | C41 | H41 | 0.1° | 0.0° |
| C7 | C6 | N5 | H6 | 180.0° | 179.9° |
| C7 | C6 | N5 | C4 | 179.8° | 180.0° |
| H7 | C7 | C6 | N5 | 179.0° | 179.9° |
| H7 | C7 | C6 | H6 | 1.0° | 0.0° |
| C6 | N5 | C4 | C2 | 86.9° | 95.1° |
| C6 | N5 | C4 | H4 | 153.1° | 25.0° |
| C6 | N5 | C4 | H4A | 34.0° | 145.0° |
| H6 | C6 | N5 | C4 | 0.1° | 0.1° |
| N5 | C4 | C2 | H4 | 120.0° | 120.0° |
| N5 | C4 | C2 | H4A | 120.9° | 119.9° |
| N5 | C4 | H4 | H4A | 121.0° | 120.0° |
| N5 | C4 | C2 | O3 | 4.3° | 0.1° |
| N5 | C4 | C2 | O1 | 175.3° | 180.0° |
| C2 | C4 | H4 | H4A | 120.9° | 120.0° |
| C4 | C2 | O3 | O1 | 179.6° | 179.9° |
| C4 | C2 | O1 | HO1 | 179.6° | 179.9° |
| H4 | C4 | C2 | O3 | 115.7° | 119.9° |
| H4 | C4 | C2 | O1 | 64.7° | 60.0° |
| H4A | C4 | C2 | O3 | 125.2° | 120.0° |
| H4A | C4 | C2 | O1 | 54.4° | 60.0° |
| O3 | C2 | O1 | HO1 | 0.0° | 0.0° |
