A1IRJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C9 | sing | 1.46Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C9 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C3 | C15 | sing | 1.51Å | 1.52Å | |
| C1 | C16 | sing | 1.51Å | 1.52Å | |
| C2 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | trip | 1.17Å | 1.17Å | |
| C9 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | O1 | sing | 1.34Å | 1.25Å | |
| C19 | O2 | doub | 1.21Å | 1.25Å | |
| C8 | O3 | doub | 1.21Å | 1.22Å | |
| C16 | C20 | sing | 1.53Å | 1.50Å | |
| C16 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C15 | C22 | sing | 1.53Å | 1.50Å | |
| C15 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.05Å | 1.06Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 123.2° | 119.7° |
| C2 | C1 | C6 | 116.6° | 119.9° |
| C2 | C1 | C16 | 122.4° | 120.0° |
| C1 | C2 | C17 | 117.8° | 120.2° |
| C2 | C3 | C4 | 117.2° | 119.9° |
| C2 | C3 | C15 | 121.7° | 120.1° |
| C3 | C2 | C17 | 119.0° | 120.1° |
| C3 | C4 | C5 | 121.7° | 120.1° |
| C4 | C3 | C15 | 121.1° | 120.0° |
| C3 | C4 | H1 | 119.2° | 120.0° |
| C4 | C5 | C6 | 119.2° | 120.3° |
| C4 | C5 | C7 | 120.3° | 119.9° |
| C5 | C4 | H1 | 119.1° | 119.9° |
| C1 | C6 | C5 | 122.1° | 120.1° |
| C6 | C1 | C16 | 121.0° | 120.0° |
| C1 | C6 | H2 | 118.9° | 120.0° |
| C6 | C5 | C7 | 120.2° | 119.8° |
| C5 | C6 | H2 | 118.9° | 119.9° |
| C5 | C7 | C8 | 108.9° | 109.5° |
| C5 | C7 | H3 | 109.6° | 109.5° |
| C5 | C7 | H4 | 109.6° | 109.5° |
| C7 | C8 | N1 | 115.5° | 120.0° |
| C7 | C8 | O3 | 121.6° | 120.0° |
| C8 | C7 | H3 | 109.6° | 109.4° |
| C8 | C7 | H4 | 109.6° | 109.5° |
| C8 | N1 | C9 | 128.1° | 120.0° |
| N1 | C8 | O3 | 121.2° | 120.0° |
| C8 | N1 | H5 | 115.9° | 120.0° |
| N1 | C9 | C10 | 111.1° | 109.5° |
| N1 | C9 | C14 | 117.7° | 109.4° |
| N1 | C9 | C19 | 99.9° | 109.5° |
| C9 | N1 | H5 | 116.0° | 120.0° |
| C9 | C10 | C11 | 112.4° | 109.5° |
| C10 | C9 | C14 | 109.3° | 109.5° |
| C10 | C9 | C19 | 107.8° | 109.5° |
| C9 | C10 | H6 | 108.8° | 109.4° |
| C9 | C10 | H7 | 108.8° | 109.5° |
| C10 | C11 | C12 | 111.1° | 109.5° |
| C11 | C10 | H6 | 108.7° | 109.5° |
| C11 | C10 | H7 | 108.7° | 109.5° |
| C10 | C11 | H8 | 109.1° | 109.4° |
| C10 | C11 | H9 | 109.1° | 109.5° |
| C11 | C12 | C13 | 111.1° | 109.5° |
| C12 | C11 | H8 | 109.1° | 109.5° |
| C12 | C11 | H9 | 109.1° | 109.5° |
| C11 | C12 | H10 | 109.1° | 109.6° |
| C11 | C12 | H11 | 109.1° | 109.5° |
| C12 | C13 | C14 | 111.2° | 109.4° |
| C13 | C12 | H10 | 109.1° | 109.5° |
| C13 | C12 | H11 | 109.1° | 109.4° |
| C12 | C13 | H12 | 109.0° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.5° |
| C9 | C14 | C13 | 112.3° | 109.5° |
| C14 | C9 | C19 | 110.2° | 109.5° |
| C9 | C14 | H15 | 108.7° | 109.5° |
| C9 | C14 | H14 | 108.8° | 109.5° |
| C13 | C14 | H15 | 108.8° | 109.5° |
| C13 | C14 | H14 | 108.7° | 109.4° |
| C14 | C13 | H12 | 109.0° | 109.5° |
| C14 | C13 | H13 | 109.0° | 109.4° |
| C3 | C15 | C22 | 121.8° | 117.5° |
| C3 | C15 | C23 | 121.8° | 117.5° |
| C3 | C15 | H16 | 114.0° | 115.6° |
| C1 | C16 | C20 | 121.0° | 117.4° |
| C1 | C16 | C21 | 120.1° | 117.5° |
| C1 | C16 | H17 | 114.8° | 115.6° |
| C2 | C17 | C18 | 178.3° | 179.9° |
| C17 | C18 | H18 | 180.0° | 179.9° |
| C9 | C19 | O1 | 117.2° | 120.0° |
| C9 | C19 | O2 | 116.7° | 120.0° |
| O1 | C19 | O2 | 126.2° | 120.0° |
| C19 | O1 | H27 | 109.5° | 117.0° |
| C20 | C16 | C21 | 60.0° | 60.0° |
| C16 | C20 | C21 | 60.0° | 60.0° |
| C20 | C16 | H17 | 115.1° | 117.5° |
| C16 | C20 | H19 | 120.0° | 117.5° |
| C16 | C20 | H20 | 120.0° | 117.5° |
| C16 | C21 | C20 | 60.0° | 60.0° |
| C21 | C16 | H17 | 115.1° | 117.6° |
| C16 | C21 | H22 | 120.0° | 117.5° |
| C16 | C21 | H21 | 120.0° | 117.6° |
| C21 | C20 | H19 | 120.0° | 117.5° |
| C21 | C20 | H20 | 120.0° | 117.5° |
| C20 | C21 | H22 | 120.0° | 117.5° |
| C20 | C21 | H21 | 120.0° | 117.6° |
| C22 | C15 | C23 | 59.9° | 60.0° |
| C15 | C22 | C23 | 60.0° | 60.0° |
| C22 | C15 | H16 | 114.4° | 117.5° |
| C15 | C22 | H23 | 120.0° | 117.5° |
| C15 | C22 | H24 | 120.0° | 117.5° |
| C15 | C23 | C22 | 60.0° | 60.0° |
| C23 | C15 | H16 | 114.5° | 117.5° |
| C15 | C23 | H25 | 120.0° | 117.5° |
| C15 | C23 | H26 | 120.0° | 117.5° |
| C23 | C22 | H23 | 120.0° | 117.5° |
| C23 | C22 | H24 | 120.0° | 117.5° |
| C22 | C23 | H25 | 120.0° | 117.5° |
| C22 | C23 | H26 | 120.0° | 117.5° |
| H15 | C14 | H14 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.4° | 115.6° |
| H22 | C21 | H21 | 109.4° | 115.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.4° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 115.5° |
| H25 | C23 | H26 | 109.5° | 115.6° |
| H3 | C7 | H4 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C17 | 178.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.5° | 0.3° |
| C2 | C1 | C6 | C16 | 179.9° | 179.4° |
| C2 | C1 | C6 | C5 | 0.6° | 0.5° |
| C1 | C2 | C3 | C15 | 177.5° | 179.7° |
| C1 | C2 | C17 | C18 | 54.6° | 89.9° |
| C2 | C1 | C16 | C20 | 137.0° | 120.0° |
| C2 | C1 | C16 | C21 | 66.1° | 171.4° |
| C2 | C1 | C6 | H2 | 179.4° | 179.7° |
| C2 | C1 | C16 | H17 | 77.8° | 25.6° |
| C2 | C3 | C4 | C15 | 178.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.6° |
| C3 | C2 | C1 | C16 | 179.8° | 180.0° |
| C3 | C2 | C17 | C18 | 123.5° | 90.4° |
| C2 | C3 | C15 | C22 | 136.9° | 120.0° |
| C2 | C3 | C15 | C23 | 151.1° | 171.4° |
| C2 | C3 | C4 | H1 | 179.7° | 180.0° |
| C2 | C3 | C15 | H16 | 7.1° | 25.6° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.1° |
| C3 | C4 | C5 | C7 | 172.2° | 180.0° |
| C4 | C3 | C2 | C17 | 177.5° | 180.0° |
| C4 | C3 | C15 | C22 | 41.1° | 60.0° |
| C4 | C3 | C15 | C23 | 30.9° | 8.6° |
| C4 | C3 | C15 | H16 | 174.9° | 154.4° |
| C4 | C5 | C6 | C1 | 1.3° | 0.2° |
| C4 | C5 | C6 | C7 | 173.3° | 179.9° |
| C4 | C5 | C7 | C8 | 97.7° | 90.0° |
| C5 | C4 | C3 | C15 | 178.3° | 180.0° |
| C4 | C5 | C6 | H2 | 178.7° | 180.0° |
| C4 | C5 | C7 | H3 | 142.4° | 150.0° |
| C4 | C5 | C7 | H4 | 22.2° | 30.0° |
| C1 | C6 | C5 | H2 | 180.0° | 179.8° |
| C1 | C6 | C5 | C7 | 172.0° | 179.7° |
| C6 | C1 | C2 | C17 | 177.7° | 179.7° |
| C6 | C1 | C16 | C20 | 43.1° | 60.6° |
| C6 | C1 | C16 | C21 | 114.1° | 8.0° |
| C6 | C1 | C16 | H17 | 102.1° | 153.8° |
| C6 | C5 | C7 | C8 | 75.6° | 90.0° |
| C5 | C6 | C1 | C16 | 179.3° | 179.9° |
| C6 | C5 | C4 | H1 | 178.9° | 180.0° |
| C6 | C5 | C7 | H3 | 44.4° | 30.0° |
| C6 | C5 | C7 | H4 | 164.5° | 150.0° |
| C5 | C7 | C8 | H3 | 119.9° | 120.0° |
| C5 | C7 | C8 | H4 | 119.9° | 120.1° |
| C5 | C7 | C8 | N1 | 65.1° | 180.0° |
| C5 | C7 | C8 | O3 | 129.8° | 0.0° |
| C7 | C5 | C4 | H1 | 7.8° | 0.0° |
| C7 | C5 | C6 | H2 | 8.0° | 0.1° |
| C5 | C7 | H3 | H4 | 120.3° | 120.0° |
| C7 | C8 | N1 | O3 | 165.2° | 180.0° |
| C7 | C8 | N1 | C9 | 165.9° | 180.0° |
| C8 | C7 | H3 | H4 | 120.3° | 119.9° |
| C7 | C8 | N1 | H5 | 14.1° | 0.0° |
| C8 | N1 | C9 | H5 | 180.0° | 180.0° |
| C8 | N1 | C9 | C10 | 163.6° | 180.0° |
| C8 | N1 | C9 | C14 | 36.4° | 60.0° |
| C8 | N1 | C9 | C19 | 82.8° | 60.0° |
| N1 | C8 | C7 | H3 | 174.9° | 60.0° |
| N1 | C8 | C7 | H4 | 54.8° | 60.0° |
| N1 | C9 | C10 | C14 | 131.6° | 120.0° |
| N1 | C9 | C10 | C19 | 108.6° | 120.0° |
| N1 | C9 | C10 | C11 | 102.0° | 60.0° |
| N1 | C9 | C14 | C19 | 113.7° | 120.0° |
| N1 | C9 | C14 | C13 | 64.0° | 60.0° |
| N1 | C9 | C19 | O1 | 156.1° | 34.9° |
| N1 | C9 | C19 | O2 | 22.8° | 145.0° |
| C9 | N1 | C8 | O3 | 28.9° | 0.0° |
| N1 | C9 | C14 | H15 | 56.5° | 180.0° |
| N1 | C9 | C14 | H14 | 175.6° | 60.0° |
| N1 | C9 | C10 | H6 | 137.6° | 60.0° |
| N1 | C9 | C10 | H7 | 18.4° | 180.0° |
| C9 | C10 | C11 | H6 | 120.4° | 120.0° |
| C9 | C10 | C11 | H7 | 120.4° | 120.0° |
| C9 | C10 | C11 | C12 | 31.4° | 60.0° |
| C10 | C9 | C14 | C19 | 118.3° | 120.0° |
| C10 | C9 | C14 | C13 | 64.1° | 60.0° |
| C10 | C9 | C19 | O1 | 87.7° | 155.0° |
| C10 | C9 | C19 | O2 | 93.3° | 25.0° |
| C10 | C9 | C14 | H15 | 175.5° | 60.1° |
| C10 | C9 | C14 | H14 | 56.4° | 180.0° |
| C9 | C10 | H6 | H7 | 118.7° | 120.0° |
| C9 | C10 | C11 | H8 | 88.9° | 180.0° |
| C9 | C10 | C11 | H9 | 151.6° | 60.0° |
| C10 | C9 | N1 | H5 | 16.4° | 0.1° |
| C10 | C11 | C12 | H8 | 120.3° | 119.9° |
| C10 | C11 | C12 | H9 | 120.2° | 120.0° |
| C10 | C11 | C12 | C13 | 65.6° | 60.1° |
| C11 | C10 | C9 | C14 | 29.6° | 60.0° |
| C11 | C10 | C9 | C19 | 149.4° | 180.0° |
| C11 | C10 | H6 | H7 | 118.6° | 120.0° |
| C10 | C11 | H8 | H9 | 119.3° | 119.9° |
| C10 | C11 | C12 | H10 | 174.1° | 60.0° |
| C10 | C11 | C12 | H11 | 54.6° | 180.0° |
| C11 | C12 | C13 | H10 | 120.3° | 120.1° |
| C11 | C12 | C13 | H11 | 120.2° | 120.0° |
| C11 | C12 | C13 | C14 | 31.4° | 60.0° |
| C12 | C11 | C10 | H6 | 151.8° | 180.0° |
| C12 | C11 | C10 | H7 | 89.1° | 60.0° |
| C12 | C11 | H8 | H9 | 119.2° | 120.1° |
| C11 | C12 | H10 | H11 | 119.3° | 120.1° |
| C11 | C12 | C13 | H12 | 88.8° | 60.0° |
| C11 | C12 | C13 | H13 | 151.7° | 180.0° |
| C12 | C13 | C14 | C9 | 31.1° | 60.0° |
| C12 | C13 | C14 | H12 | 120.3° | 120.0° |
| C12 | C13 | C14 | H13 | 120.3° | 119.9° |
| C12 | C13 | C14 | H15 | 151.5° | 60.0° |
| C12 | C13 | C14 | H14 | 89.3° | 180.0° |
| C13 | C12 | C11 | H8 | 54.6° | 180.0° |
| C13 | C12 | C11 | H9 | 174.2° | 59.9° |
| C13 | C12 | H10 | H11 | 119.2° | 119.9° |
| C12 | C13 | H12 | H13 | 119.2° | 120.0° |
| C9 | C14 | C13 | H15 | 120.4° | 120.0° |
| C9 | C14 | C13 | H14 | 120.4° | 120.0° |
| C14 | C9 | C19 | O1 | 31.5° | 85.0° |
| C14 | C9 | C19 | O2 | 147.5° | 95.0° |
| C9 | C14 | H15 | H14 | 118.7° | 120.0° |
| C14 | C9 | C10 | H6 | 90.8° | 180.0° |
| C14 | C9 | C10 | H7 | 150.0° | 60.0° |
| C9 | C14 | C13 | H12 | 151.4° | 60.0° |
| C9 | C14 | C13 | H13 | 89.1° | 180.0° |
| C14 | C9 | N1 | H5 | 143.6° | 120.0° |
| C13 | C14 | C9 | C19 | 177.6° | 180.0° |
| C13 | C14 | H15 | H14 | 118.7° | 119.9° |
| C14 | C13 | C12 | H10 | 151.7° | 60.0° |
| C14 | C13 | C12 | H11 | 88.8° | 180.0° |
| C14 | C13 | H12 | H13 | 119.2° | 120.0° |
| C15 | C3 | C2 | C17 | 4.5° | 0.0° |
| C3 | C15 | C22 | C23 | 110.9° | 107.5° |
| C3 | C15 | C22 | H16 | 143.8° | 145.0° |
| C3 | C15 | C23 | H16 | 143.9° | 145.1° |
| C15 | C3 | C4 | H1 | 1.7° | 0.0° |
| C3 | C15 | C22 | H23 | 1.5° | 0.1° |
| C3 | C15 | C22 | H24 | 139.6° | 145.0° |
| C3 | C15 | C23 | H25 | 139.6° | 145.0° |
| C3 | C15 | C23 | H26 | 1.5° | 0.0° |
| C16 | C1 | C2 | C17 | 2.2° | 0.4° |
| C1 | C16 | C20 | C21 | 109.2° | 107.5° |
| C1 | C16 | C20 | H17 | 145.1° | 145.0° |
| C1 | C16 | C21 | H17 | 143.7° | 145.1° |
| C16 | C1 | C6 | H2 | 0.7° | 0.3° |
| C1 | C16 | C20 | H19 | 0.3° | 0.0° |
| C1 | C16 | C20 | H20 | 141.3° | 145.0° |
| C1 | C16 | C21 | H22 | 139.9° | 145.1° |
| C1 | C16 | C21 | H21 | 1.1° | 0.1° |
| C2 | C17 | C18 | H18 | 47.7° | 138.9° |
| C9 | C19 | O1 | O2 | 178.8° | 179.9° |
| C9 | C19 | O1 | H27 | 178.8° | 180.0° |
| C19 | C9 | C14 | H15 | 57.2° | 60.0° |
| C19 | C9 | C14 | H14 | 62.0° | 60.0° |
| C19 | C9 | C10 | H6 | 29.0° | 60.0° |
| C19 | C9 | C10 | H7 | 90.2° | 60.0° |
| C19 | C9 | N1 | H5 | 97.2° | 120.0° |
| O2 | C19 | O1 | H27 | 0.0° | 0.1° |
| O3 | C8 | C7 | H3 | 9.8° | 120.0° |
| O3 | C8 | C7 | H4 | 110.3° | 120.0° |
| O3 | C8 | N1 | H5 | 151.1° | 180.0° |
| C20 | C16 | C21 | H17 | 105.7° | 107.4° |
| C16 | C20 | C21 | H19 | 109.5° | 107.5° |
| C16 | C20 | C21 | H20 | 109.5° | 107.5° |
| C16 | C20 | H19 | H20 | 144.7° | 145.7° |
| C20 | C16 | C21 | H22 | 109.5° | 107.5° |
| C20 | C16 | C21 | H21 | 109.5° | 107.6° |
| C16 | C21 | H22 | H21 | 144.8° | 145.7° |
| C21 | C20 | H19 | H20 | 144.7° | 145.8° |
| C20 | C21 | H22 | H21 | 144.7° | 145.7° |
| C22 | C15 | C23 | H16 | 105.2° | 107.5° |
| C15 | C22 | C23 | H23 | 109.5° | 107.5° |
| C15 | C22 | C23 | H24 | 109.5° | 107.5° |
| C15 | C22 | H23 | H24 | 144.7° | 145.7° |
| C22 | C15 | C23 | H25 | 109.5° | 107.5° |
| C22 | C15 | C23 | H26 | 109.5° | 107.5° |
| C15 | C23 | H25 | H26 | 144.7° | 145.7° |
| C23 | C22 | H23 | H24 | 144.7° | 145.6° |
| C22 | C23 | H25 | H26 | 144.7° | 145.7° |
| H15 | C14 | C13 | H12 | 88.2° | 180.0° |
| H15 | C14 | C13 | H13 | 31.3° | 59.9° |
| H14 | C14 | C13 | H12 | 31.0° | 60.0° |
| H14 | C14 | C13 | H13 | 150.4° | 60.0° |
| H16 | C15 | C22 | H23 | 145.3° | 145.0° |
| H16 | C15 | C22 | H24 | 4.3° | 0.0° |
| H16 | C15 | C23 | H25 | 4.3° | 0.0° |
| H16 | C15 | C23 | H26 | 145.4° | 145.1° |
| H17 | C16 | C20 | H19 | 144.8° | 145.0° |
| H17 | C16 | C20 | H20 | 3.8° | 0.0° |
| H17 | C16 | C21 | H22 | 3.8° | 0.0° |
| H17 | C16 | C21 | H21 | 144.9° | 145.0° |
| H19 | C20 | C21 | H22 | 141.0° | 145.1° |
| H19 | C20 | C21 | H21 | 0.0° | 0.1° |
| H20 | C20 | C21 | H22 | 0.0° | 0.0° |
| H20 | C20 | C21 | H21 | 141.0° | 145.0° |
| H6 | C10 | C11 | H8 | 31.6° | 60.0° |
| H6 | C10 | C11 | H9 | 88.0° | 59.9° |
| H7 | C10 | C11 | H8 | 150.7° | 60.0° |
| H7 | C10 | C11 | H9 | 31.1° | 180.0° |
| H8 | C11 | C12 | H10 | 65.6° | 60.0° |
| H8 | C11 | C12 | H11 | 174.9° | 60.0° |
| H9 | C11 | C12 | H10 | 53.9° | 180.0° |
| H9 | C11 | C12 | H11 | 65.6° | 60.0° |
| H10 | C12 | C13 | H12 | 31.4° | 179.9° |
| H10 | C12 | C13 | H13 | 88.1° | 59.9° |
| H11 | C12 | C13 | H12 | 150.9° | 60.0° |
| H11 | C12 | C13 | H13 | 31.4° | 60.0° |
| H23 | C22 | C23 | H25 | 141.0° | 145.0° |
| H23 | C22 | C23 | H26 | 0.0° | 0.1° |
| H24 | C22 | C23 | H25 | 0.0° | 0.0° |
| H24 | C22 | C23 | H26 | 141.0° | 145.0° |
