QK3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | N4 | doub | 1.31Å | 1.32Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| N4 | C15 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | doub | 1.42Å | 1.42Å | Aromatic |
| O1 | C8 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.36Å | 1.37Å | Aromatic |
| C22 | C14 | sing | 1.41Å | 1.44Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | N3 | sing | 1.40Å | 1.41Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N | sing | 1.35Å | 1.33Å | |
| C10 | C11 | doub | 1.35Å | 1.35Å | Aromatic |
| C10 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | N1 | sing | 1.46Å | 1.46Å | |
| C11 | N2 | sing | 1.34Å | 1.37Å | Aromatic |
| N3 | C13 | sing | 1.35Å | 1.35Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | C12 | doub | 1.30Å | 1.31Å | Aromatic |
| C7 | N | sing | 1.46Å | 1.45Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C13 | C6 | sing | 1.51Å | 1.55Å | |
| C13 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C6 | C23 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | O | sing | 1.43Å | 1.44Å | |
| C24 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C | CL | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 120.6° | 119.5° |
| C18 | C19 | C20 | 120.6° | 121.1° |
| C18 | C19 | H13 | 119.7° | 119.4° |
| C19 | C18 | H14 | 119.7° | 120.2° |
| C18 | C17 | C16 | 122.9° | 122.0° |
| C18 | C17 | C22 | 119.2° | 119.3° |
| C17 | C18 | H14 | 119.7° | 120.3° |
| N4 | C16 | C17 | 124.3° | 120.2° |
| C16 | N4 | C15 | 117.4° | 122.8° |
| N4 | C16 | H15 | 117.8° | 119.9° |
| C16 | C17 | C22 | 117.7° | 118.7° |
| C17 | C16 | H15 | 117.8° | 119.9° |
| N4 | C15 | C14 | 125.6° | 121.6° |
| N4 | C15 | H9 | 117.2° | 119.2° |
| C19 | C20 | C21 | 120.7° | 120.9° |
| C19 | C20 | H10 | 119.7° | 119.5° |
| C20 | C19 | H13 | 119.7° | 119.5° |
| C17 | C22 | C14 | 118.0° | 118.2° |
| C17 | C22 | C21 | 117.9° | 119.6° |
| O1 | C8 | C9 | 121.8° | 120.0° |
| O1 | C8 | N | 123.6° | 120.0° |
| C15 | C14 | C22 | 116.8° | 118.4° |
| C15 | C14 | N3 | 119.1° | 120.8° |
| C14 | C15 | H9 | 117.2° | 119.2° |
| C20 | C21 | C22 | 121.0° | 119.5° |
| C21 | C20 | H10 | 119.6° | 119.5° |
| C20 | C21 | H11 | 119.5° | 120.2° |
| C14 | C22 | C21 | 123.8° | 122.2° |
| C22 | C14 | N3 | 122.1° | 120.8° |
| C22 | C21 | H11 | 119.5° | 120.3° |
| C14 | N3 | C13 | 134.9° | 120.0° |
| C14 | N3 | H1 | 112.6° | 120.0° |
| C9 | C8 | N | 114.4° | 120.0° |
| C8 | C9 | N1 | 114.6° | 109.4° |
| C8 | C9 | H19 | 108.2° | 109.5° |
| C8 | C9 | H20 | 108.1° | 109.5° |
| C8 | N | C7 | 122.7° | 120.0° |
| C8 | N | H18 | 118.7° | 120.0° |
| C11 | C10 | N1 | 106.0° | 106.8° |
| C10 | C11 | N2 | 110.3° | 108.0° |
| C11 | C10 | H8 | 127.0° | 126.6° |
| C10 | C11 | H22 | 124.8° | 126.0° |
| C10 | N1 | C9 | 126.1° | 126.4° |
| C10 | N1 | C12 | 106.6° | 107.2° |
| N1 | C10 | H8 | 127.0° | 126.6° |
| C9 | N1 | C12 | 127.3° | 126.4° |
| N1 | C9 | H19 | 108.1° | 109.5° |
| N1 | C9 | H20 | 108.2° | 109.5° |
| C11 | N2 | C12 | 104.9° | 109.3° |
| N2 | C11 | H22 | 124.8° | 126.0° |
| N3 | C13 | C6 | 118.3° | 120.0° |
| N3 | C13 | O2 | 120.5° | 120.0° |
| C13 | N3 | H1 | 112.6° | 120.0° |
| N1 | C12 | N2 | 112.2° | 108.7° |
| N1 | C12 | H21 | 123.9° | 125.6° |
| N2 | C12 | H21 | 123.9° | 125.6° |
| N | C7 | C6 | 112.8° | 109.5° |
| N | C7 | H6 | 108.6° | 109.5° |
| N | C7 | H7 | 108.6° | 109.5° |
| C7 | N | H18 | 118.7° | 119.9° |
| C7 | C6 | C13 | 114.7° | 109.4° |
| C7 | C6 | C5 | 110.2° | 109.5° |
| C7 | C6 | C23 | 108.4° | 109.5° |
| C6 | C7 | H6 | 108.6° | 109.5° |
| C6 | C7 | H7 | 108.6° | 109.4° |
| C6 | C13 | O2 | 121.0° | 120.0° |
| C13 | C6 | C5 | 104.8° | 109.4° |
| C13 | C6 | C23 | 109.2° | 109.4° |
| C5 | C6 | C23 | 109.4° | 109.7° |
| C6 | C5 | C4 | 111.9° | 108.3° |
| C6 | C5 | H4 | 108.9° | 109.7° |
| C6 | C5 | H5 | 108.9° | 109.7° |
| C6 | C23 | C24 | 120.0° | 118.8° |
| C6 | C23 | C3 | 121.9° | 121.4° |
| C5 | C4 | O | 112.1° | 108.4° |
| C5 | C4 | H2 | 108.8° | 109.7° |
| C5 | C4 | H3 | 108.8° | 109.7° |
| C4 | C5 | H4 | 108.9° | 109.7° |
| C4 | C5 | H5 | 108.9° | 109.8° |
| C24 | C23 | C3 | 118.2° | 119.8° |
| C23 | C24 | C | 119.5° | 120.3° |
| C23 | C24 | H12 | 120.2° | 119.8° |
| C23 | C3 | O | 123.1° | 121.8° |
| C23 | C3 | C2 | 121.6° | 119.7° |
| C4 | O | C3 | 115.7° | 117.8° |
| O | C4 | H2 | 108.8° | 109.7° |
| O | C4 | H3 | 108.8° | 109.6° |
| C24 | C | CL | 118.8° | 120.0° |
| C24 | C | C1 | 121.9° | 120.0° |
| C | C24 | H12 | 120.2° | 119.9° |
| O | C3 | C2 | 115.3° | 118.5° |
| C3 | C2 | C1 | 119.4° | 120.2° |
| C3 | C2 | H16 | 120.3° | 119.9° |
| CL | C | C1 | 119.2° | 120.0° |
| C | C1 | C2 | 119.3° | 119.9° |
| C | C1 | H17 | 120.4° | 120.0° |
| C1 | C2 | H16 | 120.3° | 119.9° |
| C2 | C1 | H17 | 120.3° | 120.0° |
| H2 | C4 | H3 | 109.5° | 109.7° |
| H4 | C5 | H5 | 109.5° | 109.7° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H19 | C9 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H14 | 180.0° | 179.0° |
| C19 | C18 | C17 | C16 | 174.9° | 179.5° |
| C18 | C19 | C20 | H13 | 180.0° | 178.4° |
| C19 | C18 | C17 | C22 | 1.0° | 0.0° |
| C18 | C19 | C20 | C21 | 0.1° | 1.6° |
| C18 | C19 | C20 | H10 | 179.9° | 179.5° |
| C18 | C17 | C16 | N4 | 174.3° | 179.8° |
| C18 | C17 | C16 | C22 | 175.9° | 179.4° |
| C17 | C18 | C19 | C20 | 1.0° | 1.0° |
| C18 | C17 | C22 | C14 | 174.1° | 180.0° |
| C18 | C17 | C22 | C21 | 0.1° | 0.5° |
| C17 | C18 | C19 | H13 | 179.0° | 179.4° |
| C18 | C17 | C16 | H15 | 5.7° | 0.3° |
| N4 | C16 | C17 | H15 | 180.0° | 179.5° |
| N4 | C16 | C17 | C22 | 1.7° | 0.8° |
| C16 | N4 | C15 | C14 | 2.6° | 0.0° |
| C16 | N4 | C15 | H9 | 177.4° | 179.7° |
| C17 | C16 | N4 | C15 | 0.6° | 0.6° |
| C16 | C17 | C22 | C14 | 2.0° | 0.5° |
| C16 | C17 | C22 | C21 | 176.0° | 180.0° |
| C16 | C17 | C18 | H14 | 5.1° | 0.5° |
| N4 | C15 | C14 | H9 | 180.0° | 179.8° |
| N4 | C15 | C14 | C22 | 2.2° | 0.2° |
| N4 | C15 | C14 | N3 | 162.0° | 179.7° |
| C15 | N4 | C16 | H15 | 179.4° | 180.0° |
| C19 | C20 | C21 | H10 | 180.0° | 178.9° |
| C19 | C20 | C21 | C22 | 0.8° | 1.1° |
| C19 | C20 | C21 | H11 | 179.2° | 178.9° |
| C20 | C19 | C18 | H14 | 179.0° | 180.0° |
| C17 | C22 | C14 | C15 | 0.2° | 0.0° |
| C17 | C22 | C21 | C20 | 0.8° | 0.0° |
| C17 | C22 | C14 | C21 | 173.6° | 179.5° |
| C17 | C22 | C14 | N3 | 163.9° | 180.0° |
| C17 | C22 | C21 | H11 | 179.2° | 180.0° |
| C22 | C17 | C18 | H14 | 179.0° | 179.0° |
| C22 | C17 | C16 | H15 | 178.3° | 179.7° |
| O1 | C8 | C9 | N | 175.0° | 180.0° |
| O1 | C8 | C9 | N1 | 77.9° | 0.0° |
| O1 | C8 | N | C7 | 42.8° | 0.0° |
| O1 | C8 | N | H18 | 137.2° | 179.9° |
| O1 | C8 | C9 | H19 | 161.4° | 120.0° |
| O1 | C8 | C9 | H20 | 42.9° | 120.0° |
| C15 | C14 | C22 | N3 | 163.7° | 180.0° |
| C15 | C14 | C22 | C21 | 173.9° | 179.5° |
| C15 | C14 | N3 | C13 | 110.7° | 28.7° |
| C15 | C14 | N3 | H1 | 69.3° | 151.2° |
| C20 | C21 | C22 | C14 | 172.9° | 179.4° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| C21 | C20 | C19 | H13 | 179.9° | 180.0° |
| C22 | C14 | N3 | C13 | 52.6° | 151.3° |
| C22 | C14 | N3 | H1 | 127.4° | 28.8° |
| C22 | C14 | C15 | H9 | 177.8° | 180.0° |
| C14 | C22 | C21 | H11 | 7.2° | 0.6° |
| C21 | C22 | C14 | N3 | 22.5° | 0.5° |
| C22 | C21 | C20 | H10 | 179.1° | 180.0° |
| C14 | N3 | C13 | H1 | 180.0° | 179.9° |
| C14 | N3 | C13 | C6 | 155.2° | 174.3° |
| C14 | N3 | C13 | O2 | 29.8° | 5.6° |
| N3 | C14 | C15 | H9 | 18.0° | 0.0° |
| C8 | C9 | N1 | C10 | 151.5° | 90.3° |
| C8 | C9 | N1 | H19 | 120.8° | 120.0° |
| C8 | C9 | N1 | H20 | 120.7° | 120.0° |
| C8 | C9 | N1 | C12 | 26.5° | 90.0° |
| C9 | C8 | N | C7 | 132.1° | 180.0° |
| C9 | C8 | N | H18 | 48.0° | 0.0° |
| C8 | C9 | H19 | H20 | 117.6° | 120.0° |
| N | C8 | C9 | N1 | 107.2° | 180.0° |
| C8 | N | C7 | H18 | 180.0° | 180.0° |
| C8 | N | C7 | C6 | 127.6° | 174.6° |
| C8 | N | C7 | H6 | 111.9° | 65.3° |
| C8 | N | C7 | H7 | 7.1° | 54.6° |
| N | C8 | C9 | H19 | 13.6° | 60.0° |
| N | C8 | C9 | H20 | 132.0° | 60.0° |
| C11 | C10 | N1 | H8 | 180.0° | 180.0° |
| C11 | C10 | N1 | C9 | 177.9° | 179.7° |
| C10 | C11 | N2 | H22 | 180.0° | 179.9° |
| C11 | C10 | N1 | C12 | 0.4° | 0.0° |
| C10 | C11 | N2 | C12 | 0.2° | 0.0° |
| C10 | N1 | C9 | C12 | 178.0° | 179.7° |
| N1 | C10 | C11 | N2 | 0.2° | 0.0° |
| C10 | N1 | C12 | N2 | 0.6° | 0.1° |
| C10 | N1 | C9 | H19 | 87.7° | 29.7° |
| C10 | N1 | C9 | H20 | 30.8° | 149.8° |
| C10 | N1 | C12 | H21 | 179.4° | 179.9° |
| N1 | C10 | C11 | H22 | 179.8° | 179.9° |
| C9 | N1 | C12 | N2 | 177.8° | 179.7° |
| C9 | N1 | C10 | H8 | 2.1° | 0.2° |
| N1 | C9 | H19 | H20 | 117.7° | 120.0° |
| C9 | N1 | C12 | H21 | 2.2° | 0.3° |
| C11 | N2 | C12 | N1 | 0.5° | 0.1° |
| N2 | C11 | C10 | H8 | 179.8° | 180.0° |
| C11 | N2 | C12 | H21 | 179.5° | 179.9° |
| N3 | C13 | C6 | C7 | 16.6° | 54.0° |
| N3 | C13 | C6 | O2 | 175.0° | 180.0° |
| N3 | C13 | C6 | C5 | 104.4° | 173.8° |
| N3 | C13 | C6 | C23 | 138.5° | 66.0° |
| N1 | C12 | N2 | H21 | 180.0° | 180.0° |
| C12 | N1 | C10 | H8 | 179.5° | 180.0° |
| C12 | N1 | C9 | H19 | 94.2° | 150.0° |
| C12 | N1 | C9 | H20 | 147.3° | 30.0° |
| C12 | N2 | C11 | H22 | 179.9° | 180.0° |
| N | C7 | C6 | H6 | 120.5° | 120.1° |
| N | C7 | C6 | H7 | 120.5° | 120.0° |
| N | C7 | C6 | C13 | 160.1° | 62.0° |
| N | C7 | C6 | C5 | 42.2° | 57.8° |
| N | C7 | C6 | C23 | 77.5° | 178.1° |
| N | C7 | H6 | H7 | 118.5° | 119.9° |
| C7 | C6 | C13 | C5 | 121.0° | 119.9° |
| C7 | C6 | C13 | C23 | 121.9° | 119.9° |
| C7 | C6 | C13 | O2 | 158.4° | 126.0° |
| C7 | C6 | C5 | C23 | 119.1° | 120.1° |
| C7 | C6 | C5 | C4 | 159.6° | 168.4° |
| C7 | C6 | C23 | C24 | 44.3° | 42.1° |
| C7 | C6 | C23 | C3 | 135.6° | 137.9° |
| C7 | C6 | C5 | H4 | 80.0° | 48.7° |
| C7 | C6 | C5 | H5 | 39.3° | 71.9° |
| C6 | C7 | H6 | H7 | 118.5° | 119.9° |
| C6 | C7 | N | H18 | 52.4° | 5.3° |
| C13 | C6 | C5 | C23 | 117.0° | 120.0° |
| C13 | C6 | C5 | C4 | 76.5° | 71.8° |
| C13 | C6 | C23 | C24 | 81.3° | 77.8° |
| C13 | C6 | C23 | C3 | 98.8° | 102.3° |
| C6 | C13 | N3 | H1 | 24.8° | 5.8° |
| C13 | C6 | C5 | H4 | 43.9° | 168.5° |
| C13 | C6 | C5 | H5 | 163.2° | 48.0° |
| C13 | C6 | C7 | H6 | 79.4° | 58.0° |
| C13 | C6 | C7 | H7 | 39.6° | 178.0° |
| O2 | C13 | C6 | C5 | 80.6° | 6.1° |
| O2 | C13 | C6 | C23 | 36.5° | 114.1° |
| O2 | C13 | N3 | H1 | 150.2° | 174.3° |
| C6 | C5 | C4 | H4 | 120.4° | 119.7° |
| C6 | C5 | C4 | H5 | 120.4° | 119.8° |
| C5 | C6 | C23 | C24 | 164.6° | 162.2° |
| C5 | C6 | C23 | C3 | 15.3° | 17.8° |
| C6 | C5 | C4 | O | 58.8° | 64.7° |
| C6 | C5 | C4 | H2 | 61.5° | 55.0° |
| C6 | C5 | C4 | H3 | 179.2° | 175.6° |
| C6 | C5 | H4 | H5 | 118.9° | 120.6° |
| C5 | C6 | C7 | H6 | 162.7° | 177.9° |
| C5 | C6 | C7 | H7 | 78.3° | 62.2° |
| C23 | C6 | C5 | C4 | 40.6° | 48.2° |
| C6 | C23 | C24 | C3 | 179.9° | 179.9° |
| C6 | C23 | C24 | C | 177.6° | 179.9° |
| C6 | C23 | C3 | O | 5.3° | 0.3° |
| C6 | C23 | C3 | C2 | 178.3° | 179.8° |
| C23 | C6 | C5 | H4 | 160.9° | 71.4° |
| C23 | C6 | C5 | H5 | 79.8° | 168.0° |
| C23 | C6 | C7 | H6 | 43.0° | 61.8° |
| C23 | C6 | C7 | H7 | 162.0° | 58.1° |
| C6 | C23 | C24 | H12 | 2.4° | 0.0° |
| C5 | C4 | O | H2 | 120.4° | 119.7° |
| C5 | C4 | O | H3 | 120.4° | 119.7° |
| C5 | C4 | O | C3 | 48.1° | 49.1° |
| C5 | C4 | H2 | H3 | 118.8° | 120.6° |
| C4 | C5 | H4 | H5 | 118.9° | 120.6° |
| C23 | C24 | C | H12 | 180.0° | 179.9° |
| C24 | C23 | C3 | O | 174.6° | 179.6° |
| C24 | C23 | C3 | C2 | 1.8° | 0.2° |
| C23 | C24 | C | CL | 173.4° | 180.0° |
| C23 | C24 | C | C1 | 1.9° | 0.0° |
| C23 | C3 | O | C4 | 21.6° | 17.1° |
| C3 | C23 | C24 | C | 2.5° | 0.2° |
| C23 | C3 | O | C2 | 176.6° | 179.8° |
| C23 | C3 | C2 | C1 | 0.4° | 0.1° |
| C3 | C23 | C24 | H12 | 177.5° | 179.9° |
| C23 | C3 | C2 | H16 | 179.6° | 179.8° |
| C4 | O | C3 | C2 | 161.8° | 163.1° |
| O | C4 | H2 | H3 | 118.8° | 120.5° |
| O | C4 | C5 | H4 | 179.2° | 54.9° |
| O | C4 | C5 | H5 | 61.5° | 175.5° |
| C24 | C | CL | C1 | 175.5° | 180.0° |
| C24 | C | C1 | C2 | 0.5° | 0.0° |
| C24 | C | C1 | H17 | 179.5° | 179.9° |
| O | C3 | C2 | C1 | 176.3° | 179.7° |
| C3 | O | C4 | H2 | 72.2° | 70.6° |
| C3 | O | C4 | H3 | 168.5° | 168.9° |
| O | C3 | C2 | H16 | 3.7° | 0.4° |
| C3 | C2 | C1 | C | 0.3° | 0.0° |
| C3 | C2 | C1 | H16 | 180.0° | 179.9° |
| C3 | C2 | C1 | H17 | 179.7° | 180.0° |
| CL | C | C1 | C2 | 174.8° | 179.9° |
| CL | C | C24 | H12 | 6.6° | 0.1° |
| CL | C | C1 | H17 | 5.2° | 0.1° |
| C | C1 | C2 | H17 | 180.0° | 180.0° |
| C1 | C | C24 | H12 | 178.1° | 179.9° |
| C | C1 | C2 | H16 | 179.7° | 179.9° |
| H2 | C4 | C5 | H4 | 58.8° | 174.7° |
| H2 | C4 | C5 | H5 | 178.1° | 64.8° |
| H3 | C4 | C5 | H4 | 60.4° | 64.8° |
| H3 | C4 | C5 | H5 | 58.9° | 55.8° |
| H6 | C7 | N | H18 | 68.1° | 114.8° |
| H7 | C7 | N | H18 | 172.9° | 125.3° |
| H8 | C10 | C11 | H22 | 0.2° | 0.0° |
| H10 | C20 | C21 | H11 | 0.9° | 0.0° |
| H10 | C20 | C19 | H13 | 0.1° | 1.1° |
| H13 | C19 | C18 | H14 | 1.0° | 1.6° |
| H16 | C2 | C1 | H17 | 0.3° | 0.1° |
