A1JVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C14 | sing | 1.48Å | 1.49Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | O4 | sing | 1.36Å | 1.37Å | |
| C16 | N1 | sing | 1.40Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| O4 | C10 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | C1 | sing | 1.53Å | 1.54Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| N1 | C9 | sing | 1.35Å | 1.37Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | N | sing | 1.35Å | 1.34Å | |
| C7 | O2 | doub | 1.21Å | 1.24Å | |
| N | C1 | sing | 1.46Å | 1.47Å | |
| C9 | O3 | doub | 1.21Å | 1.21Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C | sing | 1.51Å | 1.54Å | |
| O1 | C | doub | 1.21Å | 1.24Å | |
| C | O | sing | 1.34Å | 1.31Å | |
| 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 | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| N | H19 | sing | 0.97Å | 1.00Å | |
| O | H20 | sing | 0.97Å | 0.95Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 120.3° | 120.1° |
| C21 | C20 | C19 | 119.7° | 120.2° |
| C21 | C20 | H13 | 120.2° | 119.9° |
| C20 | C21 | H14 | 119.8° | 120.0° |
| C21 | C22 | C17 | 120.8° | 119.8° |
| C22 | C21 | H14 | 119.8° | 119.9° |
| C21 | C22 | H15 | 119.6° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.1° |
| C19 | C20 | H13 | 120.1° | 119.8° |
| C20 | C19 | H16 | 119.9° | 119.9° |
| C22 | C17 | C18 | 118.1° | 119.8° |
| C22 | C17 | C14 | 120.9° | 120.1° |
| C17 | C22 | H15 | 119.6° | 120.1° |
| C19 | C18 | C17 | 120.9° | 119.9° |
| C18 | C19 | H16 | 119.9° | 119.9° |
| C19 | C18 | H17 | 119.6° | 120.0° |
| C18 | C17 | C14 | 121.0° | 120.1° |
| C17 | C18 | H17 | 119.5° | 120.1° |
| C17 | C14 | C13 | 120.8° | 120.1° |
| C17 | C14 | C15 | 120.7° | 120.0° |
| C14 | C13 | C12 | 121.6° | 120.2° |
| C13 | C14 | C15 | 118.4° | 119.9° |
| C14 | C13 | H11 | 119.2° | 120.0° |
| C13 | C12 | C11 | 119.0° | 120.0° |
| C12 | C13 | H11 | 119.2° | 119.9° |
| C13 | C12 | H18 | 120.5° | 120.0° |
| C14 | C15 | C16 | 120.7° | 119.7° |
| C14 | C15 | H12 | 119.7° | 120.1° |
| C12 | C11 | C16 | 121.2° | 120.1° |
| C12 | C11 | O4 | 117.4° | 120.5° |
| C11 | C12 | H18 | 120.5° | 120.0° |
| C15 | C16 | C11 | 119.0° | 120.1° |
| C15 | C16 | N1 | 123.2° | 120.6° |
| C16 | C15 | H12 | 119.6° | 120.2° |
| C16 | C11 | O4 | 121.3° | 119.5° |
| C11 | C16 | N1 | 117.8° | 119.2° |
| C11 | O4 | C10 | 116.6° | 116.9° |
| C16 | N1 | C8 | 120.5° | 120.5° |
| C16 | N1 | C9 | 121.7° | 119.0° |
| C4 | C5 | C6 | 110.5° | 109.5° |
| C5 | C4 | C3 | 110.3° | 109.5° |
| C5 | C4 | H1 | 109.2° | 109.4° |
| C5 | C4 | H2 | 109.3° | 109.4° |
| C4 | C5 | H3 | 109.2° | 109.5° |
| C4 | C5 | H4 | 109.2° | 109.5° |
| C5 | C6 | C1 | 112.0° | 109.4° |
| C6 | C5 | H3 | 109.2° | 109.4° |
| C6 | C5 | H4 | 109.2° | 109.4° |
| C5 | C6 | H5 | 108.8° | 109.5° |
| C5 | C6 | H6 | 108.8° | 109.5° |
| O4 | C10 | C9 | 113.0° | 109.6° |
| O4 | C10 | H9 | 108.6° | 109.4° |
| O4 | C10 | H10 | 108.6° | 109.4° |
| C4 | C3 | C2 | 111.1° | 109.5° |
| C3 | C4 | H1 | 109.3° | 109.5° |
| C3 | C4 | H2 | 109.3° | 109.5° |
| C4 | C3 | H21 | 109.1° | 109.5° |
| C4 | C3 | H22 | 109.1° | 109.5° |
| C6 | C1 | N | 109.3° | 109.5° |
| C6 | C1 | C2 | 110.1° | 109.5° |
| C6 | C1 | C | 109.5° | 109.5° |
| C1 | C6 | H5 | 108.8° | 109.5° |
| C1 | C6 | H6 | 108.8° | 109.5° |
| C8 | N1 | C9 | 117.5° | 120.5° |
| N1 | C8 | C7 | 110.9° | 109.5° |
| N1 | C8 | H7 | 109.1° | 109.5° |
| N1 | C8 | H8 | 109.1° | 109.5° |
| N1 | C9 | C10 | 117.1° | 119.7° |
| N1 | C9 | O3 | 123.7° | 120.2° |
| C10 | C9 | O3 | 119.2° | 120.1° |
| C9 | C10 | H9 | 108.6° | 109.5° |
| C9 | C10 | H10 | 108.6° | 109.5° |
| C3 | C2 | C1 | 113.6° | 109.5° |
| C2 | C3 | H21 | 109.1° | 109.5° |
| C2 | C3 | H22 | 109.1° | 109.4° |
| C3 | C2 | H23 | 108.4° | 109.5° |
| C3 | C2 | H24 | 108.4° | 109.5° |
| C8 | C7 | N | 116.2° | 120.0° |
| C8 | C7 | O2 | 121.3° | 119.9° |
| C7 | C8 | H7 | 109.1° | 109.4° |
| C7 | C8 | H8 | 109.1° | 109.5° |
| N | C7 | O2 | 122.5° | 120.0° |
| C7 | N | C1 | 122.6° | 120.0° |
| C7 | N | H19 | 118.7° | 119.9° |
| N | C1 | C2 | 111.4° | 109.5° |
| N | C1 | C | 109.7° | 109.4° |
| C1 | N | H19 | 118.7° | 120.0° |
| C2 | C1 | C | 106.8° | 109.5° |
| C1 | C2 | H23 | 108.4° | 109.5° |
| C1 | C2 | H24 | 108.4° | 109.5° |
| C1 | C | O1 | 123.4° | 120.0° |
| C1 | C | O | 112.4° | 120.0° |
| O1 | C | O | 124.1° | 120.0° |
| C | O | H20 | 109.5° | 117.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | C2 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H14 | 180.0° | 179.7° |
| C21 | C20 | C19 | H13 | 180.0° | 179.4° |
| C20 | C21 | C22 | C17 | 1.3° | 0.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.6° |
| C20 | C21 | C22 | H15 | 178.7° | 180.0° |
| C21 | C20 | C19 | H16 | 179.8° | 179.9° |
| C22 | C21 | C20 | C19 | 0.4° | 0.3° |
| C21 | C22 | C17 | H15 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 1.5° | 0.0° |
| C21 | C22 | C17 | C14 | 180.0° | 179.7° |
| C22 | C21 | C20 | H13 | 179.5° | 179.7° |
| C20 | C19 | C18 | H16 | 180.0° | 179.3° |
| C20 | C19 | C18 | C17 | 0.0° | 0.6° |
| C19 | C20 | C21 | H14 | 179.6° | 180.0° |
| C20 | C19 | C18 | H17 | 180.0° | 179.5° |
| C22 | C17 | C18 | C19 | 0.9° | 0.3° |
| C22 | C17 | C18 | C14 | 178.5° | 179.7° |
| C22 | C17 | C14 | C13 | 27.6° | 179.7° |
| C22 | C17 | C14 | C15 | 155.0° | 0.2° |
| C17 | C22 | C21 | H14 | 178.7° | 179.7° |
| C22 | C17 | C18 | H17 | 179.2° | 179.8° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | C14 | 179.3° | 179.9° |
| C18 | C19 | C20 | H13 | 179.8° | 180.0° |
| C18 | C17 | C14 | C13 | 150.8° | 0.0° |
| C18 | C17 | C14 | C15 | 26.6° | 179.9° |
| C18 | C17 | C22 | H15 | 178.5° | 180.0° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C17 | C14 | C13 | C15 | 177.4° | 179.9° |
| C17 | C14 | C13 | C12 | 176.5° | 180.0° |
| C17 | C14 | C15 | C16 | 176.1° | 179.9° |
| C17 | C14 | C13 | H11 | 3.5° | 0.0° |
| C17 | C14 | C15 | H12 | 3.9° | 0.1° |
| C14 | C17 | C22 | H15 | 0.0° | 0.2° |
| C14 | C17 | C18 | H17 | 0.7° | 0.0° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C13 | C14 | C15 | C16 | 1.4° | 0.0° |
| C13 | C14 | C15 | H12 | 178.6° | 180.0° |
| C14 | C13 | C12 | H18 | 179.7° | 179.9° |
| C12 | C13 | C14 | C15 | 1.0° | 0.0° |
| C13 | C12 | C11 | H18 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 1.1° | 0.0° |
| C13 | C12 | C11 | O4 | 174.9° | 180.0° |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.6° | 0.0° |
| C14 | C15 | C16 | N1 | 179.5° | 180.0° |
| C15 | C14 | C13 | H11 | 179.0° | 179.9° |
| C12 | C11 | C16 | C15 | 0.7° | 0.1° |
| C12 | C11 | C16 | O4 | 175.8° | 180.0° |
| C12 | C11 | C16 | N1 | 179.2° | 180.0° |
| C12 | C11 | O4 | C10 | 153.8° | 147.3° |
| C11 | C12 | C13 | H11 | 179.7° | 179.9° |
| C15 | C16 | C11 | N1 | 179.9° | 180.0° |
| C15 | C16 | C11 | O4 | 175.1° | 180.0° |
| C15 | C16 | N1 | C8 | 12.3° | 15.5° |
| C15 | C16 | N1 | C9 | 173.7° | 164.8° |
| C16 | C11 | O4 | C10 | 30.2° | 32.7° |
| C11 | C16 | N1 | C8 | 167.8° | 164.5° |
| C11 | C16 | N1 | C9 | 6.2° | 15.2° |
| C11 | C16 | C15 | H12 | 179.4° | 180.0° |
| C16 | C11 | C12 | H18 | 178.9° | 179.9° |
| O4 | C11 | C16 | N1 | 4.9° | 0.0° |
| C11 | O4 | C10 | C9 | 42.0° | 46.3° |
| C11 | O4 | C10 | H9 | 78.5° | 73.7° |
| C11 | O4 | C10 | H10 | 162.6° | 166.4° |
| O4 | C11 | C12 | H18 | 5.1° | 0.1° |
| C16 | N1 | C8 | C9 | 174.3° | 179.7° |
| C16 | N1 | C9 | C10 | 7.6° | 2.0° |
| C16 | N1 | C8 | C7 | 78.7° | 90.3° |
| C16 | N1 | C9 | O3 | 170.1° | 178.1° |
| C16 | N1 | C8 | H7 | 41.6° | 29.7° |
| C16 | N1 | C8 | H8 | 161.1° | 149.7° |
| N1 | C16 | C15 | H12 | 0.5° | 0.0° |
| C4 | C5 | C6 | H3 | 120.2° | 120.0° |
| C4 | C5 | C6 | H4 | 120.2° | 120.0° |
| C5 | C4 | C3 | H1 | 120.1° | 119.9° |
| C5 | C4 | C3 | H2 | 120.1° | 120.0° |
| C4 | C5 | C6 | C1 | 58.5° | 60.0° |
| C5 | C4 | C3 | C2 | 56.6° | 60.0° |
| C5 | C4 | H1 | H2 | 119.6° | 119.9° |
| C4 | C5 | H3 | H4 | 119.5° | 120.0° |
| C4 | C5 | C6 | H5 | 178.9° | 180.0° |
| C4 | C5 | C6 | H6 | 61.9° | 60.0° |
| C5 | C4 | C3 | H21 | 176.8° | 180.0° |
| C5 | C4 | C3 | H22 | 63.7° | 60.0° |
| C6 | C5 | C4 | C3 | 59.7° | 60.0° |
| C5 | C6 | C1 | H5 | 120.4° | 120.0° |
| C5 | C6 | C1 | H6 | 120.4° | 120.0° |
| C5 | C6 | C1 | N | 69.8° | 60.0° |
| C5 | C6 | C1 | C2 | 52.8° | 60.0° |
| C5 | C6 | C1 | C | 169.9° | 180.0° |
| C6 | C5 | C4 | H1 | 60.5° | 60.0° |
| C6 | C5 | C4 | H2 | 179.8° | 180.0° |
| C6 | C5 | H3 | H4 | 119.5° | 120.0° |
| C5 | C6 | H5 | H6 | 118.9° | 120.0° |
| O4 | C10 | C9 | N1 | 31.2° | 31.3° |
| O4 | C10 | C9 | H9 | 120.5° | 120.0° |
| O4 | C10 | C9 | H10 | 120.5° | 120.0° |
| O4 | C10 | C9 | O3 | 146.7° | 148.7° |
| O4 | C10 | H9 | H10 | 118.4° | 119.9° |
| C4 | C3 | C2 | H21 | 120.2° | 120.0° |
| C4 | C3 | C2 | H22 | 120.2° | 120.0° |
| C4 | C3 | C2 | C1 | 52.9° | 60.0° |
| C3 | C4 | H1 | H2 | 119.6° | 120.1° |
| C3 | C4 | C5 | H3 | 60.5° | 60.0° |
| C3 | C4 | C5 | H4 | 179.8° | 180.0° |
| C4 | C3 | H21 | H22 | 119.3° | 120.0° |
| C4 | C3 | C2 | H23 | 67.8° | 180.0° |
| C4 | C3 | C2 | H24 | 173.5° | 60.0° |
| C6 | C1 | C2 | C3 | 50.3° | 60.0° |
| C6 | C1 | N | C7 | 75.8° | 180.0° |
| C6 | C1 | N | C2 | 121.9° | 120.0° |
| C6 | C1 | N | C | 120.1° | 120.0° |
| C6 | C1 | C2 | C | 118.8° | 120.0° |
| C6 | C1 | C | O1 | 13.2° | 25.0° |
| C6 | C1 | C | O | 165.6° | 155.0° |
| C1 | C6 | C5 | H3 | 61.6° | 60.0° |
| C1 | C6 | C5 | H4 | 178.7° | 180.0° |
| C1 | C6 | H5 | H6 | 118.8° | 120.0° |
| C6 | C1 | N | H19 | 104.2° | 0.1° |
| C6 | C1 | C2 | H23 | 70.3° | 180.0° |
| C6 | C1 | C2 | H24 | 170.9° | 60.0° |
| C8 | N1 | C9 | C10 | 178.2° | 178.4° |
| N1 | C8 | C7 | H7 | 120.2° | 120.0° |
| N1 | C8 | C7 | H8 | 120.2° | 120.0° |
| N1 | C8 | C7 | N | 154.9° | 180.0° |
| N1 | C8 | C7 | O2 | 24.3° | 0.0° |
| C8 | N1 | C9 | O3 | 4.1° | 1.6° |
| N1 | C8 | H7 | H8 | 119.3° | 120.0° |
| N1 | C9 | C10 | O3 | 177.8° | 179.9° |
| C9 | N1 | C8 | C7 | 95.6° | 90.0° |
| C9 | N1 | C8 | H7 | 144.2° | 150.0° |
| C9 | N1 | C8 | H8 | 24.6° | 30.0° |
| N1 | C9 | C10 | H9 | 89.4° | 88.6° |
| N1 | C9 | C10 | H10 | 151.7° | 151.4° |
| C9 | C10 | H9 | H10 | 118.4° | 120.0° |
| C3 | C2 | C1 | N | 71.1° | 60.0° |
| C3 | C2 | C1 | H23 | 120.6° | 120.0° |
| C3 | C2 | C1 | H24 | 120.6° | 120.0° |
| C3 | C2 | C1 | C | 169.1° | 180.0° |
| C2 | C3 | C4 | H1 | 63.5° | 59.9° |
| C2 | C3 | C4 | H2 | 176.7° | 180.0° |
| C2 | C3 | H21 | H22 | 119.2° | 120.0° |
| C3 | C2 | H23 | H24 | 118.1° | 120.0° |
| C8 | C7 | N | O2 | 179.2° | 180.0° |
| C8 | C7 | N | C1 | 176.9° | 180.0° |
| C7 | C8 | H7 | H8 | 119.3° | 120.0° |
| C8 | C7 | N | H19 | 3.1° | 0.0° |
| C7 | N | C1 | H19 | 180.0° | 179.9° |
| C7 | N | C1 | C2 | 162.3° | 60.0° |
| C7 | N | C1 | C | 44.3° | 60.0° |
| N | C7 | C8 | H7 | 34.7° | 60.0° |
| N | C7 | C8 | H8 | 84.9° | 60.0° |
| O2 | C7 | N | C1 | 3.9° | 0.0° |
| O2 | C7 | C8 | H7 | 144.5° | 120.0° |
| O2 | C7 | C8 | H8 | 95.9° | 120.0° |
| O2 | C7 | N | H19 | 176.1° | 180.0° |
| N | C1 | C2 | C | 119.8° | 119.9° |
| N | C1 | C | O1 | 133.2° | 145.0° |
| N | C1 | C | O | 45.6° | 35.0° |
| N | C1 | C6 | H5 | 50.6° | 60.0° |
| N | C1 | C6 | H6 | 169.8° | 180.0° |
| N | C1 | C2 | H23 | 168.3° | 60.0° |
| N | C1 | C2 | H24 | 49.5° | 179.9° |
| O3 | C9 | C10 | H9 | 92.8° | 91.3° |
| O3 | C9 | C10 | H10 | 26.1° | 28.7° |
| C2 | C1 | C | O1 | 105.9° | 95.0° |
| C2 | C1 | C | O | 75.2° | 85.0° |
| C2 | C1 | C6 | H5 | 173.2° | 180.0° |
| C2 | C1 | C6 | H6 | 67.5° | 60.0° |
| C2 | C1 | N | H19 | 17.7° | 120.0° |
| C1 | C2 | C3 | H21 | 173.1° | 180.0° |
| C1 | C2 | C3 | H22 | 67.4° | 60.0° |
| C1 | C2 | H23 | H24 | 118.1° | 120.0° |
| C1 | C | O1 | O | 178.7° | 180.0° |
| C | C1 | C6 | H5 | 69.7° | 60.0° |
| C | C1 | C6 | H6 | 49.5° | 60.0° |
| C | C1 | N | H19 | 135.7° | 120.1° |
| C1 | C | O | H20 | 178.9° | 180.0° |
| C | C1 | C2 | H23 | 48.5° | 60.0° |
| C | C1 | C2 | H24 | 70.3° | 60.0° |
| O1 | C | O | H20 | 0.0° | 0.1° |
| H1 | C4 | C5 | H3 | 179.4° | 180.0° |
| H1 | C4 | C5 | H4 | 59.7° | 60.0° |
| H1 | C4 | C3 | H21 | 56.7° | 60.1° |
| H1 | C4 | C3 | H22 | 176.2° | 179.9° |
| H2 | C4 | C5 | H3 | 59.6° | 60.0° |
| H2 | C4 | C5 | H4 | 60.0° | 60.0° |
| H2 | C4 | C3 | H21 | 63.1° | 60.0° |
| H2 | C4 | C3 | H22 | 56.5° | 60.0° |
| H3 | C5 | C6 | H5 | 58.7° | 60.0° |
| H3 | C5 | C6 | H6 | 178.0° | 180.0° |
| H4 | C5 | C6 | H5 | 61.0° | 60.0° |
| H4 | C5 | C6 | H6 | 58.3° | 60.0° |
| H11 | C13 | C12 | H18 | 0.2° | 0.0° |
| H13 | C20 | C21 | H14 | 0.4° | 0.5° |
| H13 | C20 | C19 | H16 | 0.2° | 0.6° |
| H14 | C21 | C22 | H15 | 1.3° | 0.2° |
| H16 | C19 | C18 | H17 | 0.0° | 0.2° |
| H21 | C3 | C2 | H23 | 52.5° | 60.0° |
| H21 | C3 | C2 | H24 | 66.3° | 60.0° |
| H22 | C3 | C2 | H23 | 172.0° | 60.0° |
| H22 | C3 | C2 | H24 | 53.2° | 180.0° |
