A1ITP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C16 | sing | 1.74Å | 1.74Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.46Å | |
| C26 | C25 | sing | 1.54Å | 1.52Å | |
| C26 | N2 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| N1 | C12 | sing | 1.40Å | 1.43Å | |
| N1 | C10 | sing | 1.35Å | 1.35Å | |
| C21 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.55Å | 1.53Å | |
| C12 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| O2 | C10 | doub | 1.21Å | 1.24Å | |
| C20 | N2 | sing | 1.40Å | 1.41Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| N2 | C23 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C7 | sing | 1.51Å | 1.52Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | O3 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C5 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | O1 | doub | 1.21Å | 1.22Å | |
| C9 | C6 | sing | 1.47Å | 1.45Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C16 | C15 | 120.2° | 120.0° |
| CL1 | C16 | C17 | 118.1° | 120.0° |
| C16 | C15 | C14 | 119.2° | 120.1° |
| C15 | C16 | C17 | 121.7° | 120.0° |
| C16 | C15 | H10 | 120.4° | 119.9° |
| C15 | C14 | C13 | 120.2° | 120.1° |
| C14 | C15 | H10 | 120.4° | 119.9° |
| C15 | C14 | H9 | 119.9° | 119.9° |
| C16 | C17 | C11 | 118.3° | 119.9° |
| C16 | C17 | H11 | 120.9° | 120.1° |
| C14 | C13 | C11 | 119.0° | 120.0° |
| C14 | C13 | H8 | 120.5° | 120.0° |
| C13 | C14 | H9 | 119.9° | 120.0° |
| C17 | C11 | C13 | 120.9° | 119.9° |
| C17 | C11 | N1 | 120.6° | 120.1° |
| C11 | C17 | H11 | 120.8° | 120.0° |
| C13 | C11 | N1 | 118.5° | 120.1° |
| C11 | C13 | H8 | 120.5° | 120.0° |
| C11 | N1 | C12 | 113.7° | 120.0° |
| C11 | N1 | C10 | 117.9° | 120.0° |
| C25 | C26 | N2 | 102.1° | 105.5° |
| C26 | C25 | C24 | 105.4° | 101.8° |
| C25 | C26 | H21 | 111.3° | 110.3° |
| C25 | C26 | H20 | 111.3° | 110.3° |
| C26 | C25 | H19 | 110.5° | 110.9° |
| C26 | C25 | H18 | 110.5° | 110.9° |
| C26 | N2 | C20 | 120.1° | 124.4° |
| C26 | N2 | C23 | 114.2° | 111.3° |
| N2 | C26 | H21 | 111.3° | 110.2° |
| N2 | C26 | H20 | 111.3° | 110.2° |
| C21 | C22 | C12 | 119.0° | 120.0° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C22 | C21 | H14 | 120.0° | 119.9° |
| C21 | C22 | H15 | 120.5° | 120.0° |
| C22 | C12 | N1 | 118.5° | 120.0° |
| C22 | C12 | C18 | 121.2° | 120.0° |
| C12 | C22 | H15 | 120.5° | 120.0° |
| C12 | N1 | C10 | 128.4° | 120.0° |
| N1 | C12 | C18 | 120.3° | 120.0° |
| N1 | C10 | O2 | 117.9° | 120.0° |
| N1 | C10 | C7 | 120.0° | 120.0° |
| C21 | C20 | N2 | 119.7° | 120.0° |
| C21 | C20 | C19 | 120.4° | 120.0° |
| C20 | C21 | H14 | 119.9° | 120.0° |
| C25 | C24 | C23 | 104.5° | 104.2° |
| C25 | C24 | H17 | 110.7° | 110.5° |
| C25 | C24 | H16 | 110.7° | 110.6° |
| C24 | C25 | H19 | 110.5° | 111.0° |
| C24 | C25 | H18 | 110.5° | 110.9° |
| C12 | C18 | C19 | 119.3° | 120.0° |
| C12 | C18 | H12 | 120.4° | 120.0° |
| O2 | C10 | C7 | 121.6° | 120.0° |
| N2 | C20 | C19 | 119.7° | 120.0° |
| C20 | N2 | C23 | 125.4° | 124.3° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C20 | C19 | H13 | 120.1° | 120.0° |
| N2 | C23 | C24 | 107.3° | 110.1° |
| N2 | C23 | O3 | 125.5° | 124.9° |
| C19 | C18 | H12 | 120.4° | 120.0° |
| C18 | C19 | H13 | 120.1° | 120.0° |
| C10 | C7 | C8 | 109.6° | 110.1° |
| C10 | C7 | C5 | 110.5° | 110.1° |
| C10 | C7 | H5 | 111.7° | 110.2° |
| C24 | C23 | O3 | 127.1° | 125.0° |
| C23 | C24 | H17 | 110.7° | 110.5° |
| C23 | C24 | H16 | 110.7° | 110.5° |
| C8 | C7 | C5 | 101.7° | 106.3° |
| C7 | C8 | C9 | 104.8° | 105.4° |
| C8 | C7 | H5 | 111.4° | 110.1° |
| C7 | C8 | H6 | 110.6° | 110.3° |
| C7 | C8 | H7 | 110.6° | 110.3° |
| C7 | C5 | C4 | 129.6° | 130.4° |
| C7 | C5 | C6 | 110.4° | 109.6° |
| C5 | C7 | H5 | 111.6° | 110.1° |
| C8 | C9 | O1 | 126.7° | 126.0° |
| C8 | C9 | C6 | 107.1° | 108.1° |
| C9 | C8 | H6 | 110.6° | 110.3° |
| C9 | C8 | H7 | 110.6° | 110.3° |
| O1 | C9 | C6 | 125.9° | 125.9° |
| C9 | C6 | C5 | 109.8° | 110.7° |
| C9 | C6 | C1 | 127.4° | 130.0° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C5 | C4 | C3 | 117.8° | 120.3° |
| C5 | C4 | H4 | 121.1° | 119.8° |
| C5 | C6 | C1 | 122.7° | 119.3° |
| C4 | C3 | C2 | 121.6° | 120.2° |
| C3 | C4 | H4 | 121.1° | 119.8° |
| C4 | C3 | H3 | 119.2° | 120.0° |
| C6 | C1 | C2 | 116.5° | 120.0° |
| C6 | C1 | H1 | 121.7° | 120.0° |
| C3 | C2 | C1 | 121.3° | 120.2° |
| C3 | C2 | H2 | 119.4° | 119.9° |
| C2 | C3 | H3 | 119.2° | 119.9° |
| C2 | C1 | H1 | 121.7° | 120.0° |
| C1 | C2 | H2 | 119.3° | 119.9° |
| H6 | C8 | H7 | 109.5° | 110.2° |
| H17 | C24 | H16 | 109.5° | 110.4° |
| H21 | C26 | H20 | 109.5° | 110.3° |
| H19 | C25 | H18 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C16 | C15 | C17 | 179.8° | 179.7° |
| CL1 | C16 | C15 | C14 | 174.0° | 180.0° |
| CL1 | C16 | C17 | C11 | 178.3° | 179.7° |
| CL1 | C16 | C15 | H10 | 6.0° | 0.3° |
| CL1 | C16 | C17 | H11 | 1.7° | 0.2° |
| C16 | C15 | C14 | H10 | 180.0° | 179.6° |
| C16 | C15 | C14 | C13 | 9.2° | 0.0° |
| C15 | C16 | C17 | C11 | 1.5° | 0.5° |
| C15 | C16 | C17 | H11 | 178.5° | 180.0° |
| C16 | C15 | C14 | H9 | 170.8° | 180.0° |
| C14 | C15 | C16 | C17 | 5.8° | 0.3° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | C11 | 8.2° | 0.0° |
| C15 | C14 | C13 | H8 | 171.8° | 179.7° |
| C16 | C17 | C11 | H11 | 180.0° | 179.5° |
| C16 | C17 | C11 | C13 | 0.5° | 0.5° |
| C16 | C17 | C11 | N1 | 179.8° | 179.5° |
| C17 | C16 | C15 | H10 | 174.1° | 179.9° |
| C14 | C13 | C11 | C17 | 3.9° | 0.3° |
| C14 | C13 | C11 | H8 | 180.0° | 179.7° |
| C14 | C13 | C11 | N1 | 176.5° | 179.8° |
| C13 | C14 | C15 | H10 | 170.8° | 179.7° |
| C17 | C11 | C13 | N1 | 179.7° | 180.0° |
| C17 | C11 | N1 | C12 | 84.5° | 112.0° |
| C17 | C11 | N1 | C10 | 98.2° | 68.2° |
| C17 | C11 | C13 | H8 | 176.2° | 180.0° |
| C13 | C11 | N1 | C12 | 95.2° | 67.9° |
| C13 | C11 | N1 | C10 | 82.1° | 111.8° |
| C13 | C11 | C17 | H11 | 179.5° | 180.0° |
| C11 | C13 | C14 | H9 | 171.8° | 180.0° |
| C11 | N1 | C12 | C22 | 79.3° | 6.1° |
| C11 | N1 | C12 | C10 | 177.0° | 179.7° |
| C11 | N1 | C12 | C18 | 98.7° | 173.8° |
| C11 | N1 | C10 | O2 | 16.2° | 174.7° |
| C11 | N1 | C10 | C7 | 171.4° | 5.3° |
| N1 | C11 | C13 | H8 | 3.5° | 0.1° |
| N1 | C11 | C17 | H11 | 0.2° | 0.0° |
| C25 | C26 | N2 | H21 | 118.8° | 119.0° |
| C25 | C26 | N2 | H20 | 118.8° | 119.0° |
| C26 | C25 | C24 | H19 | 119.3° | 118.1° |
| C26 | C25 | C24 | H18 | 119.4° | 118.1° |
| C25 | C26 | N2 | C20 | 164.6° | 163.0° |
| C25 | C26 | N2 | C23 | 21.3° | 17.0° |
| C26 | C25 | C24 | C23 | 21.9° | 24.8° |
| C26 | C25 | C24 | H17 | 97.3° | 93.9° |
| C26 | C25 | C24 | H16 | 141.0° | 143.6° |
| C25 | C26 | H21 | H20 | 123.4° | 122.0° |
| C26 | C25 | H19 | H18 | 121.9° | 123.8° |
| C26 | N2 | C20 | C21 | 23.9° | 174.4° |
| N2 | C26 | C25 | C24 | 25.5° | 25.4° |
| C26 | N2 | C20 | C23 | 173.4° | 180.0° |
| C26 | N2 | C20 | C19 | 151.5° | 5.3° |
| C26 | N2 | C23 | C24 | 7.7° | 0.4° |
| C26 | N2 | C23 | O3 | 168.5° | 179.6° |
| N2 | C26 | H21 | H20 | 123.4° | 121.9° |
| N2 | C26 | C25 | H19 | 144.8° | 143.6° |
| N2 | C26 | C25 | H18 | 93.9° | 92.7° |
| C21 | C22 | C12 | H15 | 180.0° | 179.9° |
| C21 | C22 | C12 | N1 | 174.5° | 180.0° |
| C22 | C21 | C20 | H14 | 180.0° | 180.0° |
| C21 | C22 | C12 | C18 | 3.6° | 0.1° |
| C22 | C21 | C20 | N2 | 178.5° | 180.0° |
| C22 | C21 | C20 | C19 | 3.1° | 0.3° |
| C22 | C12 | N1 | C18 | 178.1° | 180.0° |
| C22 | C12 | N1 | C10 | 103.7° | 174.2° |
| C12 | C22 | C21 | C20 | 3.1° | 0.1° |
| C22 | C12 | C18 | C19 | 4.0° | 0.3° |
| C12 | C22 | C21 | H14 | 177.0° | 180.0° |
| C22 | C12 | C18 | H12 | 176.0° | 179.9° |
| C12 | N1 | C10 | O2 | 160.7° | 5.0° |
| N1 | C12 | C18 | C19 | 174.0° | 179.7° |
| C12 | N1 | C10 | C7 | 11.8° | 175.0° |
| N1 | C12 | C22 | H15 | 5.5° | 0.0° |
| N1 | C12 | C18 | H12 | 6.0° | 0.1° |
| C10 | N1 | C12 | C18 | 78.2° | 5.9° |
| N1 | C10 | O2 | C7 | 172.3° | 179.9° |
| N1 | C10 | C7 | C8 | 128.4° | 69.5° |
| N1 | C10 | C7 | C5 | 120.3° | 173.7° |
| N1 | C10 | C7 | H5 | 4.5° | 52.0° |
| C21 | C20 | N2 | C19 | 175.4° | 179.7° |
| C21 | C20 | N2 | C23 | 149.5° | 5.6° |
| C21 | C20 | C19 | C18 | 3.5° | 0.5° |
| C20 | C21 | C22 | H15 | 176.9° | 180.0° |
| C21 | C20 | C19 | H13 | 176.5° | 179.7° |
| C25 | C24 | C23 | N2 | 9.3° | 16.2° |
| C25 | C24 | C23 | H17 | 119.2° | 118.7° |
| C25 | C24 | C23 | H16 | 119.2° | 118.8° |
| C25 | C24 | C23 | O3 | 174.6° | 163.7° |
| C25 | C24 | H17 | H16 | 122.3° | 122.6° |
| C24 | C25 | C26 | H21 | 144.3° | 144.3° |
| C24 | C25 | C26 | H20 | 93.3° | 93.6° |
| C24 | C25 | H19 | H18 | 121.9° | 123.8° |
| C12 | C18 | C19 | C20 | 3.9° | 0.5° |
| C12 | C18 | C19 | H12 | 180.0° | 179.8° |
| C18 | C12 | C22 | H15 | 176.4° | 180.0° |
| C12 | C18 | C19 | H13 | 176.1° | 179.7° |
| O2 | C10 | C7 | C8 | 59.5° | 110.5° |
| O2 | C10 | C7 | C5 | 51.8° | 6.3° |
| O2 | C10 | C7 | H5 | 176.6° | 127.9° |
| N2 | C20 | C19 | C18 | 178.9° | 179.7° |
| C20 | N2 | C23 | C24 | 178.5° | 179.6° |
| C20 | N2 | C23 | O3 | 5.3° | 0.4° |
| N2 | C20 | C21 | H14 | 1.5° | 0.0° |
| C20 | N2 | C26 | H21 | 45.8° | 44.0° |
| C20 | N2 | C26 | H20 | 76.6° | 78.0° |
| N2 | C20 | C19 | H13 | 1.1° | 0.0° |
| C19 | C20 | N2 | C23 | 35.0° | 174.7° |
| C20 | C19 | C18 | H13 | 180.0° | 179.8° |
| C19 | C20 | C21 | H14 | 176.9° | 179.7° |
| C20 | C19 | C18 | H12 | 176.0° | 179.7° |
| N2 | C23 | C24 | O3 | 176.1° | 180.0° |
| N2 | C23 | C24 | H17 | 109.9° | 102.4° |
| N2 | C23 | C24 | H16 | 128.5° | 135.0° |
| C23 | N2 | C26 | H21 | 140.1° | 136.0° |
| C23 | N2 | C26 | H20 | 97.5° | 102.0° |
| C10 | C7 | C8 | C5 | 116.9° | 119.2° |
| C10 | C7 | C8 | H5 | 124.1° | 121.6° |
| C10 | C7 | C5 | H5 | 124.8° | 121.7° |
| C10 | C7 | C8 | C9 | 92.8° | 119.2° |
| C10 | C7 | C5 | C4 | 80.4° | 60.9° |
| C10 | C7 | C5 | C6 | 97.9° | 119.2° |
| C10 | C7 | C8 | H6 | 26.4° | 0.2° |
| C10 | C7 | C8 | H7 | 147.9° | 121.8° |
| C23 | C24 | H17 | H16 | 122.3° | 122.6° |
| C23 | C24 | C25 | H19 | 141.2° | 142.9° |
| C23 | C24 | C25 | H18 | 97.5° | 93.3° |
| O3 | C23 | C24 | H17 | 66.2° | 77.6° |
| O3 | C23 | C24 | H16 | 55.4° | 44.9° |
| C8 | C7 | C5 | H5 | 118.8° | 119.2° |
| C7 | C8 | C9 | H6 | 119.2° | 119.0° |
| C7 | C8 | C9 | H7 | 119.3° | 119.0° |
| C7 | C8 | C9 | O1 | 163.3° | 180.0° |
| C7 | C8 | C9 | C6 | 22.6° | 0.1° |
| C8 | C7 | C5 | C4 | 163.3° | 179.9° |
| C8 | C7 | C5 | C6 | 18.4° | 0.0° |
| C7 | C8 | H6 | H7 | 122.2° | 122.0° |
| C5 | C7 | C8 | C9 | 24.1° | 0.1° |
| C7 | C5 | C6 | C9 | 5.0° | 0.0° |
| C7 | C5 | C4 | C6 | 178.1° | 179.9° |
| C7 | C5 | C4 | C3 | 178.1° | 180.0° |
| C7 | C5 | C6 | C1 | 179.6° | 180.0° |
| C7 | C5 | C4 | H4 | 1.9° | 0.2° |
| C5 | C7 | C8 | H6 | 143.4° | 119.0° |
| C5 | C7 | C8 | H7 | 95.1° | 119.0° |
| C8 | C9 | O1 | C6 | 173.1° | 179.9° |
| C8 | C9 | C6 | C5 | 11.4° | 0.0° |
| C8 | C9 | C6 | C1 | 163.8° | 180.0° |
| C9 | C8 | C7 | H5 | 143.1° | 119.2° |
| C9 | C8 | H6 | H7 | 122.1° | 122.0° |
| O1 | C9 | C6 | C5 | 174.4° | 180.0° |
| O1 | C9 | C6 | C1 | 10.4° | 0.1° |
| O1 | C9 | C8 | H6 | 44.1° | 60.9° |
| O1 | C9 | C8 | H7 | 77.4° | 61.1° |
| C9 | C6 | C5 | C4 | 176.6° | 179.9° |
| C9 | C6 | C5 | C1 | 175.5° | 180.0° |
| C9 | C6 | C1 | C2 | 174.3° | 180.0° |
| C6 | C9 | C8 | H6 | 141.8° | 119.0° |
| C6 | C9 | C8 | H7 | 96.7° | 119.0° |
| C9 | C6 | C1 | H1 | 5.7° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 1.1° | 0.0° |
| C5 | C4 | C3 | C2 | 2.6° | 0.0° |
| C4 | C5 | C7 | H5 | 44.5° | 60.8° |
| C5 | C4 | C3 | H3 | 177.4° | 179.8° |
| C6 | C5 | C4 | C3 | 0.0° | 0.1° |
| C5 | C6 | C1 | C2 | 0.3° | 0.1° |
| C6 | C5 | C4 | H4 | 180.0° | 179.8° |
| C6 | C5 | C7 | H5 | 137.3° | 119.2° |
| C5 | C6 | C1 | H1 | 179.7° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 4.2° | 0.1° |
| C4 | C3 | C2 | H2 | 175.9° | 180.0° |
| C6 | C1 | C2 | C3 | 2.9° | 0.1° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | H2 | 177.1° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | H4 | 177.4° | 179.8° |
| C3 | C2 | C1 | H1 | 177.1° | 180.0° |
| C1 | C2 | C3 | H3 | 175.8° | 179.7° |
| H4 | C4 | C3 | H3 | 2.6° | 0.1° |
| H5 | C7 | C8 | H6 | 97.6° | 121.8° |
| H5 | C7 | C8 | H7 | 23.9° | 0.2° |
| H8 | C13 | C14 | H9 | 8.2° | 0.3° |
| H10 | C15 | C14 | H9 | 9.2° | 0.3° |
| H14 | C21 | C22 | H15 | 3.0° | 0.0° |
| H17 | C24 | C25 | H19 | 22.0° | 24.2° |
| H17 | C24 | C25 | H18 | 143.3° | 148.0° |
| H16 | C24 | C25 | H19 | 99.6° | 98.3° |
| H16 | C24 | C25 | H18 | 21.7° | 25.5° |
| H21 | C26 | C25 | H19 | 96.4° | 97.5° |
| H21 | C26 | C25 | H18 | 24.9° | 26.3° |
| H20 | C26 | C25 | H19 | 26.0° | 24.6° |
| H20 | C26 | C25 | H18 | 147.3° | 148.3° |
| H1 | C1 | C2 | H2 | 2.9° | 0.0° |
| H2 | C2 | C3 | H3 | 4.2° | 0.3° |
| H12 | C18 | C19 | H13 | 4.0° | 0.1° |
