QHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| O6 | S1 | doub | 1.42Å | 1.43Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| S1 | N1 | sing | 1.66Å | 1.72Å | |
| S1 | C10 | sing | 1.76Å | 1.78Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | N1 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| N1 | C11 | sing | 1.40Å | 1.41Å | |
| C11 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| O4 | C25 | doub | 1.21Å | 1.25Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | O5 | sing | 1.34Å | 1.24Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N2 | sing | 1.40Å | 1.43Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.47Å | |
| N2 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| N2 | C19 | sing | 1.35Å | 1.37Å | Aromatic |
| N3 | C16 | doub | 1.30Å | 1.32Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.46Å | |
| C20 | C22 | sing | 1.53Å | 1.50Å | |
| C19 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | O2 | sing | 1.35Å | 1.32Å | |
| C18 | O3 | doub | 1.22Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å | |
| O5 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S1 | O6 | 117.8° | 123.1° |
| O1 | S1 | N1 | 106.6° | 106.4° |
| O1 | S1 | C10 | 105.8° | 106.4° |
| O6 | S1 | N1 | 106.3° | 106.4° |
| O6 | S1 | C10 | 110.4° | 106.4° |
| C13 | C12 | C11 | 120.5° | 120.1° |
| C12 | C13 | C14 | 120.6° | 120.2° |
| C13 | C12 | H14 | 119.7° | 120.0° |
| C12 | C13 | H15 | 119.7° | 120.0° |
| C12 | C11 | N1 | 117.7° | 120.1° |
| C12 | C11 | C23 | 119.7° | 119.9° |
| C11 | C12 | H14 | 119.8° | 119.9° |
| N1 | S1 | C10 | 109.9° | 107.2° |
| S1 | N1 | C24 | 117.2° | 120.0° |
| S1 | N1 | C11 | 123.9° | 120.0° |
| S1 | C10 | C2 | 119.7° | 120.0° |
| S1 | C10 | C8 | 121.0° | 120.0° |
| C13 | C14 | C15 | 119.2° | 120.0° |
| C14 | C13 | H15 | 119.7° | 119.9° |
| C13 | C14 | H16 | 120.4° | 120.0° |
| N1 | C24 | C25 | 116.6° | 109.5° |
| C24 | N1 | C11 | 116.9° | 120.0° |
| N1 | C24 | H25 | 107.7° | 109.5° |
| N1 | C24 | H26 | 107.7° | 109.5° |
| C24 | C25 | O4 | 115.8° | 120.0° |
| C24 | C25 | O5 | 117.9° | 120.0° |
| C25 | C24 | H25 | 107.7° | 109.5° |
| C25 | C24 | H26 | 107.7° | 109.5° |
| C1 | C2 | C10 | 122.9° | 120.0° |
| C1 | C2 | C3 | 117.0° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| N1 | C11 | C23 | 122.4° | 120.0° |
| C11 | C23 | C15 | 118.9° | 119.9° |
| C11 | C23 | H24 | 120.6° | 120.1° |
| C2 | C10 | C8 | 119.3° | 120.0° |
| C10 | C2 | C3 | 120.0° | 120.0° |
| C10 | C8 | C9 | 122.6° | 120.0° |
| C10 | C8 | C6 | 120.2° | 120.0° |
| C2 | C3 | C4 | 121.6° | 120.0° |
| C2 | C3 | C5 | 119.0° | 120.0° |
| O4 | C25 | O5 | 126.3° | 120.0° |
| C14 | C15 | C23 | 120.9° | 119.9° |
| C14 | C15 | N2 | 119.1° | 120.0° |
| C15 | C14 | H16 | 120.4° | 119.9° |
| C25 | O5 | H27 | 109.5° | 117.0° |
| C9 | C8 | C6 | 117.2° | 120.0° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C8 | C9 | H12 | 109.4° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C8 | C6 | C5 | 119.1° | 120.0° |
| C8 | C6 | C7 | 121.1° | 120.0° |
| C4 | C3 | C5 | 119.5° | 120.0° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C5 | C6 | 122.5° | 120.0° |
| C3 | C5 | H7 | 118.7° | 120.0° |
| C23 | C15 | N2 | 119.9° | 120.1° |
| C15 | C23 | H24 | 120.5° | 120.1° |
| C15 | N2 | N3 | 119.6° | 125.8° |
| C15 | N2 | C19 | 130.5° | 125.8° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C6 | C5 | H7 | 118.7° | 120.0° |
| C6 | C7 | H8 | 109.5° | 109.4° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C20 | C21 | C22 | 60.8° | 60.0° |
| C21 | C20 | C19 | 118.5° | 117.5° |
| C21 | C20 | C22 | 58.8° | 60.0° |
| C21 | C20 | H19 | 116.2° | 117.6° |
| C20 | C21 | H21 | 119.9° | 117.5° |
| C20 | C21 | H20 | 119.9° | 117.5° |
| C21 | C22 | C20 | 60.4° | 60.0° |
| C22 | C21 | H21 | 119.8° | 117.5° |
| C22 | C21 | H20 | 119.9° | 117.6° |
| C21 | C22 | H23 | 119.9° | 117.5° |
| C21 | C22 | H22 | 119.9° | 117.5° |
| N3 | N2 | C19 | 109.9° | 108.5° |
| N2 | N3 | C16 | 106.7° | 109.0° |
| N2 | C19 | C20 | 124.7° | 126.3° |
| N2 | C19 | C17 | 107.4° | 107.4° |
| N3 | C16 | C17 | 111.1° | 108.0° |
| N3 | C16 | H17 | 124.5° | 126.0° |
| C19 | C20 | C22 | 117.8° | 117.5° |
| C20 | C19 | C17 | 127.9° | 126.4° |
| C19 | C20 | H19 | 116.8° | 115.5° |
| C22 | C20 | H19 | 116.1° | 117.5° |
| C20 | C22 | H23 | 119.9° | 117.5° |
| C20 | C22 | H22 | 119.9° | 117.6° |
| C19 | C17 | C16 | 104.9° | 107.2° |
| C19 | C17 | C18 | 128.6° | 126.4° |
| C16 | C17 | C18 | 126.5° | 126.4° |
| C17 | C16 | H17 | 124.4° | 126.0° |
| C17 | C18 | O2 | 114.7° | 120.0° |
| C17 | C18 | O3 | 123.3° | 120.0° |
| O2 | C18 | O3 | 122.0° | 120.0° |
| C18 | O2 | H18 | 109.5° | 117.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H21 | C21 | H20 | 109.5° | 115.5° |
| H23 | C22 | H22 | 109.5° | 115.5° |
| H25 | C24 | H26 | 109.5° | 109.4° |
| H6 | C4 | H4 | 109.5° | 109.4° |
| H6 | C4 | H5 | 109.5° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.4° | 109.4° |
| H8 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H11 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S1 | O6 | N1 | 119.3° | 123.0° |
| O1 | S1 | O6 | C10 | 121.6° | 122.9° |
| O1 | S1 | N1 | C10 | 114.2° | 113.6° |
| O1 | S1 | N1 | C24 | 27.7° | 10.9° |
| O1 | S1 | N1 | C11 | 135.6° | 169.2° |
| O1 | S1 | C10 | C2 | 34.2° | 138.4° |
| O1 | S1 | C10 | C8 | 143.5° | 41.4° |
| O6 | S1 | N1 | C10 | 119.4° | 113.5° |
| O6 | S1 | N1 | C24 | 154.1° | 143.8° |
| O6 | S1 | N1 | C11 | 9.2° | 36.3° |
| O6 | S1 | C10 | C2 | 162.7° | 5.6° |
| O6 | S1 | C10 | C8 | 15.1° | 174.2° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H15 | 180.0° | 180.0° |
| C13 | C12 | C11 | N1 | 176.4° | 179.8° |
| C13 | C12 | C11 | C23 | 2.0° | 0.0° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H16 | 178.7° | 180.0° |
| C12 | C11 | N1 | S1 | 74.6° | 58.2° |
| C11 | C12 | C13 | C14 | 1.0° | 0.1° |
| C12 | C11 | N1 | C24 | 88.8° | 121.8° |
| C12 | C11 | N1 | C23 | 174.2° | 179.7° |
| C12 | C11 | C23 | C15 | 3.3° | 0.0° |
| C11 | C12 | C13 | H15 | 179.0° | 179.9° |
| C12 | C11 | C23 | H24 | 176.7° | 180.0° |
| S1 | N1 | C24 | C11 | 164.5° | 180.0° |
| S1 | N1 | C24 | C25 | 106.3° | 113.6° |
| S1 | N1 | C11 | C23 | 111.2° | 122.1° |
| N1 | S1 | C10 | C2 | 80.4° | 108.0° |
| N1 | S1 | C10 | C8 | 101.8° | 72.2° |
| S1 | N1 | C24 | H25 | 14.7° | 126.4° |
| S1 | N1 | C24 | H26 | 132.7° | 6.4° |
| C10 | S1 | N1 | C24 | 86.5° | 102.7° |
| S1 | C10 | C2 | C1 | 1.9° | 0.2° |
| C10 | S1 | N1 | C11 | 110.2° | 77.3° |
| S1 | C10 | C2 | C8 | 177.8° | 179.8° |
| S1 | C10 | C2 | C3 | 179.9° | 179.7° |
| S1 | C10 | C8 | C9 | 1.5° | 0.2° |
| S1 | C10 | C8 | C6 | 179.1° | 179.7° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | C23 | 2.6° | 0.0° |
| C13 | C14 | C15 | N2 | 178.8° | 180.0° |
| C14 | C13 | C12 | H14 | 179.0° | 180.0° |
| N1 | C24 | C25 | H25 | 121.0° | 120.1° |
| N1 | C24 | C25 | H26 | 121.0° | 120.0° |
| C24 | N1 | C11 | C23 | 85.4° | 58.0° |
| N1 | C24 | C25 | O4 | 173.1° | 6.9° |
| N1 | C24 | C25 | O5 | 7.0° | 173.1° |
| N1 | C24 | H25 | H26 | 116.8° | 120.0° |
| C25 | C24 | N1 | C11 | 89.2° | 66.4° |
| C24 | C25 | O4 | O5 | 179.9° | 179.9° |
| C25 | C24 | H25 | H26 | 116.8° | 120.0° |
| C24 | C25 | O5 | H27 | 179.9° | 180.0° |
| C1 | C2 | C10 | C3 | 178.2° | 179.9° |
| C1 | C2 | C10 | C8 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C1 | C2 | C3 | C5 | 180.0° | 179.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C11 | C23 | C15 | 177.4° | 179.7° |
| N1 | C11 | C12 | H14 | 3.7° | 0.3° |
| N1 | C11 | C23 | H24 | 2.7° | 0.2° |
| C11 | N1 | C24 | H25 | 149.8° | 53.7° |
| C11 | N1 | C24 | H26 | 31.8° | 173.6° |
| C11 | C23 | C15 | C14 | 3.6° | 0.1° |
| C11 | C23 | C15 | H24 | 180.0° | 180.0° |
| C11 | C23 | C15 | N2 | 179.8° | 180.0° |
| C23 | C11 | C12 | H14 | 178.0° | 180.0° |
| C2 | C10 | C8 | C9 | 179.2° | 180.0° |
| C2 | C10 | C8 | C6 | 1.3° | 0.1° |
| C10 | C2 | C3 | C4 | 179.1° | 180.0° |
| C10 | C2 | C3 | C5 | 1.7° | 0.0° |
| C10 | C2 | C1 | H1 | 89.0° | 81.5° |
| C10 | C2 | C1 | H2 | 151.0° | 158.5° |
| C10 | C2 | C1 | H3 | 31.0° | 38.5° |
| C8 | C10 | C2 | C3 | 2.1° | 0.1° |
| C10 | C8 | C9 | C6 | 179.5° | 179.9° |
| C10 | C8 | C6 | C5 | 0.2° | 0.1° |
| C10 | C8 | C6 | C7 | 179.3° | 180.0° |
| C10 | C8 | C9 | H11 | 90.2° | 95.4° |
| C10 | C8 | C9 | H12 | 149.7° | 144.6° |
| C10 | C8 | C9 | H13 | 29.7° | 24.6° |
| C2 | C3 | C4 | C5 | 179.1° | 180.0° |
| C2 | C3 | C5 | C6 | 0.6° | 0.0° |
| C3 | C2 | C1 | H1 | 89.3° | 98.4° |
| C3 | C2 | C1 | H2 | 30.8° | 21.6° |
| C3 | C2 | C1 | H3 | 150.8° | 141.5° |
| C2 | C3 | C4 | H6 | 90.5° | 90.0° |
| C2 | C3 | C4 | H4 | 149.5° | 150.0° |
| C2 | C3 | C4 | H5 | 29.6° | 29.9° |
| C2 | C3 | C5 | H7 | 179.4° | 180.0° |
| O4 | C25 | C24 | H25 | 52.1° | 126.9° |
| O4 | C25 | C24 | H26 | 65.9° | 113.1° |
| O4 | C25 | O5 | H27 | 0.0° | 0.1° |
| C14 | C15 | C23 | N2 | 176.1° | 180.0° |
| C14 | C15 | N2 | N3 | 58.5° | 145.0° |
| C14 | C15 | N2 | C19 | 121.4° | 35.5° |
| C15 | C14 | C13 | H15 | 178.7° | 180.0° |
| C14 | C15 | C23 | H24 | 176.4° | 180.0° |
| O5 | C25 | C24 | H25 | 128.0° | 53.0° |
| O5 | C25 | C24 | H26 | 114.1° | 66.9° |
| C9 | C8 | C6 | C5 | 179.7° | 180.0° |
| C9 | C8 | C6 | C7 | 0.2° | 0.0° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H13 | 120.0° | 120.0° |
| C8 | C9 | H12 | H13 | 120.0° | 120.0° |
| C8 | C6 | C5 | C3 | 0.2° | 0.0° |
| C8 | C6 | C5 | C7 | 179.5° | 179.9° |
| C8 | C6 | C5 | H7 | 179.8° | 180.0° |
| C8 | C6 | C7 | H8 | 90.3° | 90.0° |
| C8 | C6 | C7 | H9 | 149.7° | 29.9° |
| C8 | C6 | C7 | H10 | 29.7° | 150.0° |
| C6 | C8 | C9 | H11 | 90.3° | 84.7° |
| C6 | C8 | C9 | H12 | 29.8° | 35.3° |
| C6 | C8 | C9 | H13 | 149.7° | 155.4° |
| C4 | C3 | C5 | C6 | 179.7° | 180.0° |
| C3 | C4 | H6 | H4 | 120.0° | 120.0° |
| C3 | C4 | H6 | H5 | 120.0° | 120.0° |
| C3 | C4 | H4 | H5 | 120.0° | 120.1° |
| C4 | C3 | C5 | H7 | 0.2° | 0.0° |
| C3 | C5 | C6 | H7 | 180.0° | 180.0° |
| C3 | C5 | C6 | C7 | 179.7° | 179.9° |
| C5 | C3 | C4 | H6 | 90.4° | 90.0° |
| C5 | C3 | C4 | H4 | 29.6° | 30.0° |
| C5 | C3 | C4 | H5 | 149.6° | 150.1° |
| C23 | C15 | N2 | N3 | 117.8° | 35.0° |
| C23 | C15 | N2 | C19 | 62.4° | 144.5° |
| C23 | C15 | C14 | H16 | 177.4° | 180.0° |
| C15 | N2 | N3 | C19 | 179.9° | 179.5° |
| C15 | N2 | N3 | C16 | 177.8° | 180.0° |
| C15 | N2 | C19 | C20 | 5.2° | 0.2° |
| C15 | N2 | C19 | C17 | 177.4° | 179.8° |
| N2 | C15 | C14 | H16 | 1.2° | 0.0° |
| N2 | C15 | C23 | H24 | 0.3° | 0.0° |
| C5 | C6 | C7 | H8 | 90.2° | 90.0° |
| C5 | C6 | C7 | H9 | 29.7° | 150.0° |
| C5 | C6 | C7 | H10 | 149.7° | 30.0° |
| C7 | C6 | C5 | H7 | 0.3° | 0.0° |
| C6 | C7 | H8 | H9 | 120.0° | 119.9° |
| C6 | C7 | H8 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21 | 109.7° | 107.5° |
| C20 | C21 | C22 | H20 | 109.7° | 107.4° |
| C21 | C20 | C19 | N2 | 49.0° | 48.9° |
| C21 | C20 | C19 | C22 | 67.6° | 68.6° |
| C21 | C20 | C19 | H19 | 147.0° | 145.8° |
| C21 | C20 | C22 | H19 | 106.2° | 107.6° |
| C21 | C20 | C19 | C17 | 128.0° | 131.1° |
| C20 | C21 | H21 | H20 | 144.3° | 145.6° |
| C20 | C21 | C22 | H23 | 109.6° | 107.5° |
| C20 | C21 | C22 | H22 | 109.6° | 107.6° |
| C22 | C21 | H21 | H20 | 144.3° | 145.8° |
| C21 | C22 | H23 | H22 | 144.6° | 145.6° |
| N3 | N2 | C19 | C20 | 174.7° | 179.7° |
| N3 | N2 | C19 | C17 | 2.8° | 0.3° |
| N2 | N3 | C16 | C17 | 0.9° | 0.5° |
| N2 | N3 | C16 | H17 | 179.1° | 179.9° |
| C19 | N2 | N3 | C16 | 2.3° | 0.5° |
| N2 | C19 | C20 | C17 | 176.9° | 180.0° |
| N2 | C19 | C20 | C22 | 116.6° | 117.5° |
| N2 | C19 | C17 | C16 | 2.1° | 0.0° |
| N2 | C19 | C17 | C18 | 178.9° | 180.0° |
| N2 | C19 | C20 | H19 | 98.0° | 96.9° |
| N3 | C16 | C17 | C19 | 0.7° | 0.3° |
| N3 | C16 | C17 | H17 | 180.0° | 179.7° |
| N3 | C16 | C17 | C18 | 177.7° | 179.7° |
| C19 | C20 | C22 | H19 | 145.7° | 144.9° |
| C20 | C19 | C17 | C16 | 175.2° | 180.0° |
| C20 | C19 | C17 | C18 | 1.6° | 0.0° |
| C19 | C20 | C21 | H21 | 2.8° | 0.1° |
| C19 | C20 | C21 | H20 | 143.4° | 145.0° |
| C19 | C20 | C22 | H23 | 1.4° | 145.0° |
| C19 | C20 | C22 | H22 | 142.2° | 0.0° |
| C22 | C20 | C19 | C17 | 60.3° | 62.5° |
| C20 | C22 | H23 | H22 | 144.5° | 145.8° |
| C19 | C17 | C16 | C18 | 176.9° | 180.0° |
| C19 | C17 | C18 | O2 | 27.2° | 175.5° |
| C19 | C17 | C18 | O3 | 155.0° | 4.5° |
| C19 | C17 | C16 | H17 | 179.3° | 180.0° |
| C17 | C19 | C20 | H19 | 85.1° | 83.1° |
| C16 | C17 | C18 | O2 | 156.6° | 4.5° |
| C16 | C17 | C18 | O3 | 21.2° | 175.5° |
| C17 | C18 | O2 | O3 | 177.9° | 180.0° |
| C18 | C17 | C16 | H17 | 2.3° | 0.0° |
| C17 | C18 | O2 | H18 | 177.9° | 180.0° |
| O3 | C18 | O2 | H18 | 0.0° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H14 | C12 | C13 | H15 | 1.0° | 0.0° |
| H15 | C13 | C14 | H16 | 1.3° | 0.0° |
| H19 | C20 | C21 | H21 | 144.4° | 145.0° |
| H19 | C20 | C21 | H20 | 3.8° | 0.1° |
| H19 | C20 | C22 | H23 | 144.3° | 0.1° |
| H19 | C20 | C22 | H22 | 3.4° | 144.9° |
| H21 | C21 | C22 | H23 | 0.2° | 145.0° |
| H21 | C21 | C22 | H22 | 140.7° | 0.1° |
| H20 | C21 | C22 | H23 | 140.8° | 0.1° |
| H20 | C21 | C22 | H22 | 0.1° | 145.0° |
| H6 | C4 | H4 | H5 | 120.0° | 120.0° |
| H8 | C7 | H9 | H10 | 120.0° | 120.0° |
| H11 | C9 | H12 | H13 | 120.0° | 120.0° |
