KNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C7 | doub | 1.21Å | 1.25Å | |
| C7 | O4 | sing | 1.34Å | 1.25Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | C8 | sing | 1.40Å | 1.38Å | |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C1 | sing | 1.55Å | 1.52Å | |
| C8 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O7 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | O7 | sing | 1.36Å | 1.37Å | |
| C2 | O2 | sing | 1.34Å | 1.21Å | |
| C12 | N2 | sing | 1.40Å | 1.42Å | |
| N2 | C13 | sing | 1.35Å | 1.36Å | |
| O5 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | O6 | sing | 1.36Å | 1.37Å | |
| O6 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| CL1 | C27 | sing | 1.74Å | 1.74Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C27 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.37Å | Aromatic |
| C24 | F1 | sing | 1.35Å | 1.36Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å | |
| O4 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C7 | O4 | 123.8° | 120.0° |
| O3 | C7 | C6 | 118.3° | 120.0° |
| O4 | C7 | C6 | 117.9° | 120.0° |
| C7 | O4 | H30 | 109.5° | 117.0° |
| C7 | C6 | C5 | 114.1° | 109.5° |
| C7 | C6 | H5 | 108.3° | 109.5° |
| C7 | C6 | H6 | 108.3° | 109.5° |
| N1 | C4 | C5 | 112.7° | 109.5° |
| C4 | N1 | C3 | 117.0° | 111.0° |
| C4 | N1 | C8 | 121.1° | 111.0° |
| N1 | C4 | H1 | 108.7° | 109.5° |
| N1 | C4 | H2 | 108.6° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C5 | C4 | H1 | 108.6° | 109.4° |
| C5 | C4 | H2 | 108.7° | 109.4° |
| C4 | C5 | H3 | 108.7° | 109.5° |
| C4 | C5 | H4 | 108.8° | 109.4° |
| C6 | C5 | H3 | 108.8° | 109.5° |
| C6 | C5 | H4 | 108.8° | 109.5° |
| C5 | C6 | H5 | 108.3° | 109.4° |
| C5 | C6 | H6 | 108.3° | 109.4° |
| C10 | C9 | C8 | 120.9° | 120.4° |
| C9 | C10 | C11 | 120.1° | 120.1° |
| C10 | C9 | H8 | 119.5° | 119.8° |
| C9 | C10 | H9 | 120.0° | 120.0° |
| C9 | C8 | N1 | 122.1° | 118.6° |
| C9 | C8 | C30 | 118.8° | 119.5° |
| C8 | C9 | H8 | 119.5° | 119.8° |
| C3 | N1 | C8 | 121.5° | 112.1° |
| N1 | C3 | C1 | 110.4° | 108.1° |
| N1 | C3 | H11 | 109.2° | 109.6° |
| N1 | C3 | H12 | 109.2° | 109.6° |
| N1 | C8 | C30 | 118.9° | 121.9° |
| C10 | C11 | C12 | 120.3° | 120.0° |
| C10 | C11 | H7 | 119.9° | 120.0° |
| C11 | C10 | H9 | 119.9° | 119.9° |
| C3 | C1 | C2 | 109.3° | 109.8° |
| C3 | C1 | O7 | 111.9° | 107.4° |
| C1 | C3 | H11 | 109.3° | 109.4° |
| C1 | C3 | H12 | 109.2° | 110.3° |
| C3 | C1 | H13 | 107.9° | 109.8° |
| C8 | C30 | C12 | 119.7° | 119.8° |
| C8 | C30 | O7 | 120.8° | 121.4° |
| O1 | C2 | C1 | 119.4° | 120.0° |
| O1 | C2 | O2 | 121.4° | 120.0° |
| C2 | C1 | O7 | 110.6° | 109.3° |
| C1 | C2 | O2 | 119.1° | 120.0° |
| C2 | C1 | H13 | 107.9° | 109.7° |
| C1 | O7 | C30 | 113.6° | 116.6° |
| O7 | C1 | H13 | 109.1° | 110.8° |
| C11 | C12 | C30 | 120.2° | 120.1° |
| C11 | C12 | N2 | 121.1° | 120.0° |
| C12 | C11 | H7 | 119.9° | 120.0° |
| C12 | C30 | O7 | 119.5° | 118.7° |
| C30 | C12 | N2 | 118.8° | 119.9° |
| C2 | O2 | H29 | 109.5° | 117.0° |
| C12 | N2 | C13 | 131.2° | 120.0° |
| C12 | N2 | H10 | 114.4° | 120.0° |
| N2 | C13 | O5 | 124.3° | 120.0° |
| N2 | C13 | C14 | 115.5° | 119.9° |
| C13 | N2 | H10 | 114.4° | 120.1° |
| O5 | C13 | C14 | 120.1° | 120.0° |
| C13 | C14 | C15 | 122.1° | 120.0° |
| C13 | C14 | C29 | 119.3° | 120.1° |
| C15 | C14 | C29 | 118.6° | 119.9° |
| C14 | C15 | C16 | 121.1° | 119.9° |
| C14 | C15 | H14 | 119.4° | 120.1° |
| C14 | C29 | C28 | 120.8° | 119.9° |
| C14 | C29 | H28 | 119.6° | 120.0° |
| C15 | C16 | C17 | 119.5° | 120.1° |
| C16 | C15 | H14 | 119.5° | 120.0° |
| C15 | C16 | H15 | 120.3° | 120.0° |
| C29 | C28 | C17 | 120.0° | 120.1° |
| C29 | C28 | H27 | 120.0° | 120.0° |
| C28 | C29 | H28 | 119.6° | 120.1° |
| C16 | C17 | C28 | 120.0° | 120.2° |
| C16 | C17 | O6 | 123.2° | 119.9° |
| C17 | C16 | H15 | 120.2° | 120.0° |
| C28 | C17 | O6 | 116.8° | 119.9° |
| C17 | C28 | H27 | 120.0° | 119.9° |
| C17 | O6 | C18 | 119.5° | 117.0° |
| O6 | C18 | C19 | 106.6° | 109.5° |
| O6 | C18 | H16 | 110.2° | 109.5° |
| O6 | C18 | H17 | 110.2° | 109.5° |
| C18 | C19 | C20 | 113.7° | 109.5° |
| C19 | C18 | H16 | 110.2° | 109.5° |
| C19 | C18 | H17 | 110.2° | 109.4° |
| C18 | C19 | H18 | 108.4° | 109.4° |
| C18 | C19 | H19 | 108.4° | 109.5° |
| C19 | C20 | C21 | 112.5° | 109.5° |
| C20 | C19 | H18 | 108.4° | 109.5° |
| C20 | C19 | H19 | 108.4° | 109.5° |
| C19 | C20 | H20 | 108.7° | 109.5° |
| C19 | C20 | H21 | 108.7° | 109.5° |
| C20 | C21 | C22 | 110.3° | 109.5° |
| C21 | C20 | H20 | 108.7° | 109.5° |
| C21 | C20 | H21 | 108.8° | 109.5° |
| C20 | C21 | H22 | 109.3° | 109.5° |
| C20 | C21 | H23 | 109.2° | 109.5° |
| CL1 | C27 | C22 | 119.9° | 120.0° |
| CL1 | C27 | C26 | 117.9° | 120.0° |
| C21 | C22 | C27 | 120.5° | 120.0° |
| C21 | C22 | C23 | 122.0° | 120.0° |
| C22 | C21 | H22 | 109.3° | 109.5° |
| C22 | C21 | H23 | 109.3° | 109.5° |
| C22 | C27 | C26 | 122.2° | 120.0° |
| C27 | C22 | C23 | 117.5° | 120.0° |
| C27 | C26 | C25 | 119.6° | 120.0° |
| C27 | C26 | H26 | 120.2° | 120.0° |
| C22 | C23 | C24 | 119.3° | 120.0° |
| C22 | C23 | H24 | 120.4° | 120.0° |
| C26 | C25 | C24 | 118.3° | 120.0° |
| C26 | C25 | H25 | 120.8° | 120.0° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C23 | C24 | C25 | 123.2° | 119.9° |
| C23 | C24 | F1 | 118.5° | 120.0° |
| C24 | C23 | H24 | 120.3° | 120.0° |
| C25 | C24 | F1 | 118.2° | 120.0° |
| C24 | C25 | H25 | 120.9° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.7° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H22 | C21 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C7 | O4 | C6 | 179.8° | 180.0° |
| O3 | C7 | C6 | C5 | 119.1° | 0.0° |
| O3 | C7 | C6 | H5 | 120.2° | 119.9° |
| O3 | C7 | C6 | H6 | 1.6° | 120.0° |
| O3 | C7 | O4 | H30 | 0.0° | 0.0° |
| O4 | C7 | C6 | C5 | 60.7° | 180.0° |
| O4 | C7 | C6 | H5 | 60.0° | 60.0° |
| O4 | C7 | C6 | H6 | 178.6° | 60.0° |
| C7 | C6 | C5 | C4 | 59.8° | 180.0° |
| C7 | C6 | C5 | H5 | 120.7° | 120.0° |
| C7 | C6 | C5 | H6 | 120.7° | 120.0° |
| C7 | C6 | C5 | H3 | 179.8° | 60.0° |
| C7 | C6 | C5 | H4 | 60.6° | 60.0° |
| C7 | C6 | H5 | H6 | 117.9° | 120.1° |
| C6 | C7 | O4 | H30 | 179.8° | 180.0° |
| N1 | C4 | C5 | H1 | 120.5° | 120.0° |
| N1 | C4 | C5 | H2 | 120.5° | 120.0° |
| N1 | C4 | C5 | C6 | 178.0° | 175.2° |
| C4 | N1 | C8 | C9 | 14.7° | 34.7° |
| C4 | N1 | C3 | C8 | 173.2° | 124.8° |
| C4 | N1 | C3 | C1 | 174.4° | 175.6° |
| C4 | N1 | C8 | C30 | 160.3° | 145.0° |
| N1 | C4 | H1 | H2 | 118.5° | 120.1° |
| N1 | C4 | C5 | H3 | 57.6° | 55.1° |
| N1 | C4 | C5 | H4 | 61.5° | 64.9° |
| C4 | N1 | C3 | H11 | 54.3° | 65.2° |
| C4 | N1 | C3 | H12 | 65.4° | 55.3° |
| C4 | C5 | C6 | H3 | 120.4° | 120.0° |
| C4 | C5 | C6 | H4 | 120.4° | 120.0° |
| C5 | C4 | N1 | C3 | 95.6° | 64.7° |
| C5 | C4 | N1 | C8 | 77.7° | 169.9° |
| C5 | C4 | H1 | H2 | 118.5° | 120.0° |
| C4 | C5 | H3 | H4 | 118.7° | 120.0° |
| C4 | C5 | C6 | H5 | 179.5° | 60.0° |
| C4 | C5 | C6 | H6 | 60.9° | 60.0° |
| C6 | C5 | C4 | H1 | 61.4° | 55.2° |
| C6 | C5 | C4 | H2 | 57.6° | 64.9° |
| C6 | C5 | H3 | H4 | 118.8° | 120.0° |
| C5 | C6 | H5 | H6 | 117.9° | 120.0° |
| C10 | C9 | C8 | H8 | 180.0° | 179.4° |
| C10 | C9 | C8 | N1 | 177.7° | 179.2° |
| C9 | C10 | C11 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C30 | 2.6° | 1.1° |
| C9 | C10 | C11 | C12 | 0.5° | 0.1° |
| C9 | C10 | C11 | H7 | 179.5° | 179.8° |
| C9 | C8 | N1 | C3 | 172.3° | 159.5° |
| C9 | C8 | N1 | C30 | 175.1° | 179.8° |
| C8 | C9 | C10 | C11 | 1.1° | 0.6° |
| C9 | C8 | C30 | C12 | 2.4° | 0.8° |
| C9 | C8 | C30 | O7 | 179.6° | 179.4° |
| C8 | C9 | C10 | H9 | 178.9° | 179.4° |
| N1 | C3 | C1 | H11 | 120.1° | 119.3° |
| N1 | C3 | C1 | H12 | 120.1° | 119.9° |
| C3 | N1 | C8 | C30 | 12.6° | 20.3° |
| N1 | C3 | C1 | C2 | 168.0° | 177.2° |
| N1 | C3 | C1 | O7 | 45.2° | 64.0° |
| C3 | N1 | C4 | H1 | 24.9° | 55.3° |
| C3 | N1 | C4 | H2 | 143.9° | 175.4° |
| N1 | C3 | H11 | H12 | 119.6° | 120.4° |
| N1 | C3 | C1 | H13 | 74.9° | 56.5° |
| C8 | N1 | C3 | C1 | 12.3° | 50.8° |
| N1 | C8 | C30 | C12 | 177.6° | 179.4° |
| N1 | C8 | C30 | O7 | 4.4° | 0.3° |
| C8 | N1 | C4 | H1 | 161.8° | 70.1° |
| C8 | N1 | C4 | H2 | 42.8° | 50.0° |
| N1 | C8 | C9 | H8 | 2.4° | 0.2° |
| C8 | N1 | C3 | H11 | 132.5° | 170.0° |
| C8 | N1 | C3 | H12 | 107.8° | 69.5° |
| C10 | C11 | C12 | H7 | 180.0° | 179.7° |
| C10 | C11 | C12 | C30 | 0.7° | 0.3° |
| C10 | C11 | C12 | N2 | 179.2° | 179.7° |
| C11 | C10 | C9 | H8 | 178.9° | 180.0° |
| C3 | C1 | C2 | O1 | 58.6° | 115.0° |
| C3 | C1 | C2 | O7 | 123.6° | 117.6° |
| C3 | C1 | C2 | H13 | 117.1° | 120.8° |
| C3 | C1 | O7 | H13 | 119.4° | 119.9° |
| C3 | C1 | O7 | C30 | 55.0° | 46.0° |
| C3 | C1 | C2 | O2 | 120.4° | 65.0° |
| C1 | C3 | H11 | H12 | 119.6° | 121.2° |
| C8 | C30 | O7 | C1 | 30.2° | 15.2° |
| C8 | C30 | C12 | C11 | 0.8° | 0.2° |
| C8 | C30 | C12 | O7 | 178.0° | 179.7° |
| C8 | C30 | C12 | N2 | 179.3° | 179.8° |
| C30 | C8 | C9 | H8 | 177.4° | 179.5° |
| O1 | C2 | C1 | O2 | 179.0° | 180.0° |
| O1 | C2 | C1 | O7 | 177.8° | 2.5° |
| O1 | C2 | C1 | H13 | 58.5° | 124.2° |
| O1 | C2 | O2 | H29 | 0.0° | 0.0° |
| C2 | C1 | O7 | H13 | 118.6° | 121.0° |
| C2 | C1 | O7 | C30 | 177.1° | 165.0° |
| C2 | C1 | C3 | H11 | 71.9° | 57.9° |
| C2 | C1 | C3 | H12 | 47.9° | 62.9° |
| C1 | C2 | O2 | H29 | 179.0° | 180.0° |
| C1 | O7 | C30 | C12 | 147.8° | 164.5° |
| O7 | C1 | C2 | O2 | 3.2° | 177.4° |
| O7 | C1 | C3 | H11 | 165.3° | 176.7° |
| O7 | C1 | C3 | H12 | 74.9° | 55.9° |
| C11 | C12 | C30 | N2 | 179.9° | 179.9° |
| C11 | C12 | C30 | O7 | 178.8° | 179.9° |
| C11 | C12 | N2 | C13 | 4.8° | 34.6° |
| C12 | C11 | C10 | H9 | 179.5° | 179.9° |
| C11 | C12 | N2 | H10 | 175.2° | 145.4° |
| C30 | C12 | N2 | C13 | 175.0° | 145.3° |
| C30 | C12 | C11 | H7 | 179.3° | 180.0° |
| C30 | C12 | N2 | H10 | 5.0° | 34.7° |
| O7 | C30 | C12 | N2 | 1.3° | 0.0° |
| C30 | O7 | C1 | H13 | 64.4° | 74.0° |
| O2 | C2 | C1 | H13 | 122.5° | 55.8° |
| C12 | N2 | C13 | H10 | 180.0° | 180.0° |
| C12 | N2 | C13 | O5 | 5.7° | 4.4° |
| C12 | N2 | C13 | C14 | 173.9° | 175.6° |
| N2 | C12 | C11 | H7 | 0.8° | 0.0° |
| N2 | C13 | O5 | C14 | 179.6° | 179.9° |
| N2 | C13 | C14 | C15 | 5.7° | 180.0° |
| N2 | C13 | C14 | C29 | 173.3° | 0.3° |
| O5 | C13 | C14 | C15 | 173.9° | 0.1° |
| O5 | C13 | C14 | C29 | 7.1° | 179.8° |
| O5 | C13 | N2 | H10 | 174.3° | 175.6° |
| C13 | C14 | C15 | C29 | 179.0° | 179.7° |
| C13 | C14 | C15 | C16 | 180.0° | 179.7° |
| C13 | C14 | C29 | C28 | 179.9° | 179.7° |
| C14 | C13 | N2 | H10 | 6.1° | 4.4° |
| C13 | C14 | C15 | H14 | 0.1° | 0.4° |
| C13 | C14 | C29 | H28 | 0.1° | 0.2° |
| C14 | C15 | C16 | H14 | 180.0° | 179.9° |
| C15 | C14 | C29 | C28 | 1.1° | 0.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.0° |
| C14 | C15 | C16 | H15 | 179.2° | 180.0° |
| C15 | C14 | C29 | H28 | 179.0° | 179.9° |
| C29 | C14 | C15 | C16 | 1.0° | 0.0° |
| C14 | C29 | C28 | H28 | 180.0° | 180.0° |
| C14 | C29 | C28 | C17 | 0.9° | 0.0° |
| C29 | C14 | C15 | H14 | 179.0° | 179.9° |
| C14 | C29 | C28 | H27 | 179.1° | 180.0° |
| C15 | C16 | C17 | H15 | 180.0° | 179.9° |
| C15 | C16 | C17 | C28 | 0.6° | 0.0° |
| C15 | C16 | C17 | O6 | 179.7° | 180.0° |
| C29 | C28 | C17 | C16 | 0.6° | 0.0° |
| C29 | C28 | C17 | H27 | 180.0° | 180.0° |
| C29 | C28 | C17 | O6 | 179.7° | 180.0° |
| C16 | C17 | C28 | O6 | 179.7° | 179.9° |
| C16 | C17 | O6 | C18 | 6.5° | 180.0° |
| C17 | C16 | C15 | H14 | 179.2° | 179.9° |
| C16 | C17 | C28 | H27 | 179.3° | 180.0° |
| C28 | C17 | O6 | C18 | 173.2° | 0.1° |
| C28 | C17 | C16 | H15 | 179.4° | 180.0° |
| C17 | C28 | C29 | H28 | 179.1° | 179.9° |
| C17 | O6 | C18 | C19 | 177.2° | 180.0° |
| O6 | C17 | C16 | H15 | 0.3° | 0.1° |
| C17 | O6 | C18 | H16 | 63.3° | 60.0° |
| C17 | O6 | C18 | H17 | 57.6° | 60.1° |
| O6 | C17 | C28 | H27 | 0.4° | 0.1° |
| O6 | C18 | C19 | H16 | 119.6° | 120.0° |
| O6 | C18 | C19 | H17 | 119.5° | 119.9° |
| O6 | C18 | C19 | C20 | 48.5° | 180.0° |
| O6 | C18 | H16 | H17 | 121.3° | 120.0° |
| O6 | C18 | C19 | H18 | 72.2° | 60.1° |
| O6 | C18 | C19 | H19 | 169.1° | 60.0° |
| C18 | C19 | C20 | H18 | 120.6° | 120.0° |
| C18 | C19 | C20 | H19 | 120.6° | 120.0° |
| C18 | C19 | C20 | C21 | 179.4° | 180.0° |
| C19 | C18 | H16 | H17 | 121.3° | 120.0° |
| C18 | C19 | H18 | H19 | 118.1° | 120.0° |
| C18 | C19 | C20 | H20 | 60.1° | 60.0° |
| C18 | C19 | C20 | H21 | 58.9° | 59.9° |
| C19 | C20 | C21 | H20 | 120.4° | 120.0° |
| C19 | C20 | C21 | H21 | 120.4° | 120.1° |
| C19 | C20 | C21 | C22 | 176.9° | 180.0° |
| C20 | C19 | C18 | H16 | 168.0° | 60.0° |
| C20 | C19 | C18 | H17 | 71.1° | 60.0° |
| C20 | C19 | H18 | H19 | 118.1° | 120.0° |
| C19 | C20 | H20 | H21 | 118.6° | 120.0° |
| C19 | C20 | C21 | H22 | 56.8° | 60.0° |
| C19 | C20 | C21 | H23 | 63.0° | 60.0° |
| C20 | C21 | C22 | H22 | 120.1° | 120.0° |
| C20 | C21 | C22 | H23 | 120.1° | 120.0° |
| C20 | C21 | C22 | C27 | 90.9° | 80.3° |
| C20 | C21 | C22 | C23 | 90.9° | 100.1° |
| C21 | C20 | C19 | H18 | 58.8° | 60.0° |
| C21 | C20 | C19 | H19 | 60.0° | 60.0° |
| C21 | C20 | H20 | H21 | 118.7° | 120.0° |
| C20 | C21 | H22 | H23 | 119.6° | 120.0° |
| CL1 | C27 | C22 | C21 | 1.0° | 0.0° |
| CL1 | C27 | C22 | C26 | 179.4° | 179.7° |
| CL1 | C27 | C22 | C23 | 179.2° | 179.7° |
| CL1 | C27 | C26 | C25 | 179.2° | 179.7° |
| CL1 | C27 | C26 | H26 | 0.8° | 0.0° |
| C21 | C22 | C27 | C23 | 178.2° | 179.6° |
| C21 | C22 | C27 | C26 | 179.6° | 179.8° |
| C21 | C22 | C23 | C24 | 179.2° | 180.0° |
| C22 | C21 | C20 | H20 | 62.7° | 60.0° |
| C22 | C21 | C20 | H21 | 56.5° | 60.0° |
| C22 | C21 | H22 | H23 | 119.7° | 120.0° |
| C21 | C22 | C23 | H24 | 0.8° | 0.1° |
| C22 | C27 | C26 | C25 | 1.4° | 0.6° |
| C27 | C22 | C23 | C24 | 1.0° | 0.3° |
| C27 | C22 | C21 | H22 | 29.2° | 159.7° |
| C27 | C22 | C21 | H23 | 149.0° | 39.7° |
| C27 | C22 | C23 | H24 | 179.0° | 179.7° |
| C22 | C27 | C26 | H26 | 178.6° | 179.7° |
| C26 | C27 | C22 | C23 | 1.4° | 0.6° |
| C27 | C26 | C25 | H26 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 1.0° | 0.3° |
| C27 | C26 | C25 | H25 | 179.0° | 179.8° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.7° | 0.1° |
| C22 | C23 | C24 | F1 | 179.7° | 179.9° |
| C23 | C22 | C21 | H22 | 149.0° | 20.0° |
| C23 | C22 | C21 | H23 | 29.2° | 140.0° |
| C26 | C25 | C24 | C23 | 0.7° | 0.1° |
| C26 | C25 | C24 | H25 | 180.0° | 179.9° |
| C26 | C25 | C24 | F1 | 179.7° | 180.0° |
| C23 | C24 | C25 | F1 | 179.6° | 180.0° |
| C23 | C24 | C25 | H25 | 179.3° | 180.0° |
| C25 | C24 | C23 | H24 | 179.3° | 180.0° |
| C24 | C25 | C26 | H26 | 179.0° | 180.0° |
| F1 | C24 | C23 | H24 | 0.3° | 0.0° |
| F1 | C24 | C25 | H25 | 0.4° | 0.0° |
| H1 | C4 | C5 | H3 | 178.1° | 64.9° |
| H1 | C4 | C5 | H4 | 59.0° | 175.1° |
| H2 | C4 | C5 | H3 | 62.8° | 175.1° |
| H2 | C4 | C5 | H4 | 178.0° | 55.1° |
| H3 | C5 | C6 | H5 | 59.1° | 180.0° |
| H3 | C5 | C6 | H6 | 59.5° | 60.0° |
| H4 | C5 | C6 | H5 | 60.1° | 59.9° |
| H4 | C5 | C6 | H6 | 178.7° | 180.0° |
| H7 | C11 | C10 | H9 | 0.5° | 0.2° |
| H8 | C9 | C10 | H9 | 1.1° | 0.0° |
| H11 | C3 | C1 | H13 | 45.3° | 62.8° |
| H12 | C3 | C1 | H13 | 165.0° | 176.4° |
| H14 | C15 | C16 | H15 | 0.8° | 0.0° |
| H16 | C18 | C19 | H18 | 47.4° | 60.0° |
| H16 | C18 | C19 | H19 | 71.4° | NaN° |
| H17 | C18 | C19 | H18 | 168.3° | NaN° |
| H17 | C18 | C19 | H19 | 49.5° | 60.0° |
| H18 | C19 | C20 | H20 | 179.3° | 180.0° |
| H18 | C19 | C20 | H21 | 61.7° | 60.0° |
| H19 | C19 | C20 | H20 | 60.5° | 60.0° |
| H19 | C19 | C20 | H21 | 179.6° | 180.0° |
| H20 | C20 | C21 | H22 | 177.2° | 180.0° |
| H20 | C20 | C21 | H23 | 57.5° | 60.0° |
| H21 | C20 | C21 | H22 | 63.6° | 60.1° |
| H21 | C20 | C21 | H23 | 176.6° | 179.9° |
| H25 | C25 | C26 | H26 | 1.0° | 0.0° |
| H27 | C28 | C29 | H28 | 0.9° | 0.1° |
