A1JLL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N1 | sing | 1.46Å | 1.46Å | |
| C23 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| I1 | C6 | sing | 2.09Å | 2.09Å | |
| C2 | N1 | sing | 1.34Å | 1.34Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | N6 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C8 | O1 | sing | 1.36Å | 1.37Å | |
| C8 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.41Å | |
| C5 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C4 | sing | 1.35Å | 1.36Å | |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | C26 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N3 | sing | 1.40Å | 1.41Å | |
| N6 | C26 | doub | 1.30Å | 1.32Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | O3 | doub | 1.22Å | 1.23Å | |
| C16 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| N3 | C13 | sing | 1.35Å | 1.35Å | |
| N4 | C15 | doub | 1.33Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | O2 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | S1 | sing | 1.76Å | 1.76Å | |
| C14 | S1 | sing | 1.81Å | 1.80Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.4° | 120.1° |
| C22 | C23 | C10 | 120.5° | 120.1° |
| C23 | C22 | H21 | 119.8° | 119.9° |
| C22 | C23 | H22 | 119.8° | 119.9° |
| C22 | C21 | C12 | 120.0° | 119.9° |
| C22 | C21 | H20 | 120.0° | 120.0° |
| C21 | C22 | H21 | 119.8° | 120.0° |
| C1 | N1 | C2 | 127.8° | 125.8° |
| C1 | N1 | N6 | 120.8° | 125.8° |
| N1 | C1 | H1 | 109.5° | 109.4° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C23 | C10 | C9 | 120.7° | 120.0° |
| C23 | C10 | C11 | 119.1° | 120.1° |
| C10 | C23 | H22 | 119.8° | 119.9° |
| I1 | C6 | C7 | 119.0° | 120.0° |
| I1 | C6 | C5 | 120.4° | 120.0° |
| N1 | C2 | C3 | 107.1° | 107.4° |
| C2 | N1 | N6 | 111.4° | 108.5° |
| N1 | C2 | H4 | 126.4° | 126.3° |
| C2 | C3 | C4 | 127.1° | 126.4° |
| C2 | C3 | C26 | 104.6° | 107.2° |
| C3 | C2 | H4 | 126.4° | 126.3° |
| C21 | C12 | C11 | 119.4° | 119.8° |
| C21 | C12 | N3 | 118.0° | 120.1° |
| C12 | C21 | H20 | 120.0° | 120.1° |
| N1 | N6 | C26 | 106.0° | 108.9° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C10 | C9 | O1 | 107.0° | 109.5° |
| C10 | C9 | H7 | 110.1° | 109.5° |
| C10 | C9 | H8 | 110.1° | 109.5° |
| C10 | C11 | C12 | 120.7° | 119.9° |
| C10 | C11 | H9 | 119.6° | 120.0° |
| C9 | O1 | C8 | 119.1° | 117.0° |
| O1 | C9 | H7 | 110.1° | 109.4° |
| O1 | C9 | H8 | 110.1° | 109.5° |
| C6 | C7 | C8 | 119.8° | 120.1° |
| C7 | C6 | C5 | 120.6° | 119.9° |
| C6 | C7 | H6 | 120.1° | 120.0° |
| C7 | C8 | O1 | 123.7° | 120.0° |
| C7 | C8 | C24 | 120.1° | 120.0° |
| C8 | C7 | H6 | 120.1° | 119.9° |
| C6 | C5 | N2 | 120.0° | 120.0° |
| C6 | C5 | C25 | 119.0° | 120.0° |
| C17 | C16 | C18 | 122.6° | 120.4° |
| C17 | C16 | N4 | 116.3° | 120.4° |
| C16 | C17 | H13 | 109.5° | 109.4° |
| C16 | C17 | H14 | 109.5° | 109.4° |
| C16 | C17 | H15 | 109.4° | 109.5° |
| O1 | C8 | C24 | 116.2° | 120.0° |
| C8 | C24 | C25 | 120.1° | 120.0° |
| C8 | C24 | H23 | 119.9° | 120.0° |
| N2 | C5 | C25 | 121.0° | 120.0° |
| C5 | N2 | C4 | 126.0° | 120.0° |
| C5 | N2 | H5 | 117.0° | 120.0° |
| C5 | C25 | C24 | 120.3° | 120.0° |
| C5 | C25 | H24 | 119.8° | 120.0° |
| N2 | C4 | C3 | 115.0° | 120.0° |
| N2 | C4 | O3 | 122.9° | 120.0° |
| C4 | N2 | H5 | 117.0° | 119.9° |
| C4 | C3 | C26 | 128.3° | 126.4° |
| C3 | C4 | O3 | 122.1° | 120.0° |
| C3 | C26 | N6 | 110.8° | 108.0° |
| C3 | C26 | H25 | 124.6° | 126.0° |
| C11 | C12 | N3 | 122.6° | 120.1° |
| C12 | C11 | H9 | 119.7° | 120.0° |
| C12 | N3 | C13 | 128.4° | 120.0° |
| C12 | N3 | H10 | 115.8° | 120.0° |
| N6 | C26 | H25 | 124.6° | 126.0° |
| C25 | C24 | H23 | 119.9° | 120.0° |
| C24 | C25 | H24 | 119.8° | 120.0° |
| C18 | C16 | N4 | 121.1° | 119.2° |
| C16 | C18 | C19 | 119.1° | 118.6° |
| C16 | C18 | H16 | 120.5° | 120.7° |
| C16 | N4 | C15 | 115.4° | 120.7° |
| C18 | C19 | C20 | 122.7° | 120.4° |
| C18 | C19 | N5 | 121.0° | 119.2° |
| C19 | C18 | H16 | 120.5° | 120.7° |
| N3 | C13 | O2 | 124.2° | 120.0° |
| N3 | C13 | C14 | 114.0° | 120.0° |
| C13 | N3 | H10 | 115.8° | 120.0° |
| N4 | C15 | N5 | 127.8° | 121.6° |
| N4 | C15 | S1 | 118.7° | 119.2° |
| C20 | C19 | N5 | 116.3° | 120.4° |
| C19 | C20 | H17 | 109.5° | 109.5° |
| C19 | C20 | H18 | 109.5° | 109.5° |
| C19 | C20 | H19 | 109.5° | 109.5° |
| C19 | N5 | C15 | 115.6° | 120.7° |
| O2 | C13 | C14 | 121.8° | 120.0° |
| C13 | C14 | S1 | 113.3° | 109.5° |
| C13 | C14 | H11 | 108.5° | 109.5° |
| C13 | C14 | H12 | 108.5° | 109.5° |
| N5 | C15 | S1 | 113.6° | 119.2° |
| C15 | S1 | C14 | 103.4° | 100.0° |
| S1 | C14 | H11 | 108.5° | 109.4° |
| S1 | C14 | H12 | 108.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.4° | 109.5° |
| H13 | C17 | H15 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H21 | 180.0° | 179.6° |
| C22 | C23 | C10 | H22 | 180.0° | 179.6° |
| C23 | C22 | C21 | C12 | 0.4° | 0.2° |
| C22 | C23 | C10 | C9 | 179.4° | 179.8° |
| C22 | C23 | C10 | C11 | 0.7° | 0.5° |
| C23 | C22 | C21 | H20 | 179.6° | 179.8° |
| C21 | C22 | C23 | C10 | 0.6° | 0.4° |
| C22 | C21 | C12 | H20 | 180.0° | 179.9° |
| C22 | C21 | C12 | C11 | 0.3° | 0.1° |
| C22 | C21 | C12 | N3 | 179.5° | 180.0° |
| C21 | C22 | C23 | H22 | 179.4° | 180.0° |
| C1 | N1 | C2 | N6 | 179.7° | 179.8° |
| C1 | N1 | C2 | C3 | 179.9° | 180.0° |
| C1 | N1 | N6 | C26 | 179.8° | 179.8° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.1° |
| N1 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | N1 | C2 | H4 | 0.1° | 0.0° |
| C23 | C10 | C9 | C11 | 178.7° | 179.7° |
| C23 | C10 | C9 | O1 | 121.7° | 90.3° |
| C23 | C10 | C11 | C12 | 0.6° | 0.2° |
| C23 | C10 | C9 | H7 | 118.7° | 149.8° |
| C23 | C10 | C9 | H8 | 2.1° | 29.7° |
| C23 | C10 | C11 | H9 | 179.3° | 179.8° |
| C10 | C23 | C22 | H21 | 179.4° | 180.0° |
| I1 | C6 | C7 | C5 | 179.6° | 180.0° |
| I1 | C6 | C7 | C8 | 180.0° | 180.0° |
| I1 | C6 | C5 | N2 | 0.4° | 0.0° |
| I1 | C6 | C5 | C25 | 179.7° | 179.7° |
| I1 | C6 | C7 | H6 | 0.0° | 0.0° |
| N1 | C2 | C3 | H4 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 179.8° | 180.0° |
| N1 | C2 | C3 | C26 | 0.3° | 0.0° |
| C2 | N1 | N6 | C26 | 0.0° | 0.5° |
| C2 | N1 | C1 | H1 | 179.7° | 89.7° |
| C2 | N1 | C1 | H2 | 59.7° | 30.2° |
| C2 | N1 | C1 | H3 | 60.3° | 150.3° |
| C3 | C2 | N1 | N6 | 0.2° | 0.3° |
| C2 | C3 | C4 | N2 | 22.6° | 180.0° |
| C2 | C3 | C4 | C26 | 179.9° | 180.0° |
| C2 | C3 | C26 | N6 | 0.2° | 0.3° |
| C2 | C3 | C4 | O3 | 157.4° | 0.0° |
| C2 | C3 | C26 | H25 | 179.8° | 180.0° |
| C21 | C12 | C11 | C10 | 0.4° | 0.0° |
| C21 | C12 | C11 | N3 | 179.1° | 180.0° |
| C21 | C12 | N3 | C13 | 149.8° | 26.0° |
| C21 | C12 | C11 | H9 | 179.5° | 180.0° |
| C21 | C12 | N3 | H10 | 30.3° | 154.0° |
| C12 | C21 | C22 | H21 | 179.7° | 179.8° |
| N1 | N6 | C26 | C3 | 0.1° | 0.4° |
| N6 | N1 | C1 | H1 | 0.0° | 90.0° |
| N6 | N1 | C1 | H2 | 120.0° | 150.1° |
| N6 | N1 | C1 | H3 | 120.0° | 30.0° |
| N6 | N1 | C2 | H4 | 179.8° | 179.7° |
| N1 | N6 | C26 | H25 | 179.9° | 179.8° |
| C10 | C9 | O1 | H7 | 119.6° | 120.0° |
| C10 | C9 | O1 | H8 | 119.6° | 120.0° |
| C10 | C9 | O1 | C8 | 166.5° | 180.0° |
| C9 | C10 | C11 | C12 | 179.4° | 180.0° |
| C10 | C9 | H7 | H8 | 121.2° | 120.0° |
| C9 | C10 | C11 | H9 | 0.6° | 0.0° |
| C9 | C10 | C23 | H22 | 0.6° | 0.2° |
| C11 | C10 | C9 | O1 | 57.0° | 90.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | N3 | 179.6° | 180.0° |
| C11 | C10 | C9 | H7 | 62.6° | 30.0° |
| C11 | C10 | C9 | H8 | 176.6° | 150.0° |
| C11 | C10 | C23 | H22 | 179.3° | 180.0° |
| C9 | O1 | C8 | C7 | 3.0° | 180.0° |
| C9 | O1 | C8 | C24 | 177.0° | 0.1° |
| O1 | C9 | H7 | H8 | 121.2° | 120.0° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | O1 | 180.0° | 180.0° |
| C6 | C7 | C8 | C24 | 0.0° | 0.0° |
| C7 | C6 | C5 | N2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C25 | 0.7° | 0.3° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C8 | O1 | C24 | 180.0° | 180.0° |
| C7 | C8 | C24 | C25 | 0.0° | 0.2° |
| C7 | C8 | C24 | H23 | 180.0° | 180.0° |
| C6 | C5 | N2 | C25 | 179.3° | 179.7° |
| C6 | C5 | N2 | C4 | 74.6° | 144.9° |
| C6 | C5 | C25 | C24 | 0.6° | 0.5° |
| C6 | C5 | N2 | H5 | 105.4° | 35.0° |
| C5 | C6 | C7 | H6 | 179.6° | 180.0° |
| C6 | C5 | C25 | H24 | 179.4° | 179.8° |
| C17 | C16 | C18 | N4 | 179.8° | 179.9° |
| C17 | C16 | C18 | C19 | 179.7° | 180.0° |
| C17 | C16 | N4 | C15 | 179.6° | 180.0° |
| C16 | C17 | H13 | H14 | 120.0° | 119.9° |
| C16 | C17 | H13 | H15 | 120.0° | 120.0° |
| C16 | C17 | H14 | H15 | 120.0° | 120.0° |
| C17 | C16 | C18 | H16 | 0.3° | 0.1° |
| O1 | C8 | C24 | C25 | 180.0° | 179.8° |
| O1 | C8 | C7 | H6 | 0.1° | 0.0° |
| C8 | O1 | C9 | H7 | 73.9° | 60.0° |
| C8 | O1 | C9 | H8 | 46.9° | 60.0° |
| O1 | C8 | C24 | H23 | 0.0° | 0.1° |
| C8 | C24 | C25 | C5 | 0.3° | 0.5° |
| C8 | C24 | C25 | H23 | 180.0° | 179.8° |
| C24 | C8 | C7 | H6 | 180.0° | 179.9° |
| C8 | C24 | C25 | H24 | 179.7° | 179.8° |
| C5 | N2 | C4 | H5 | 180.0° | 179.9° |
| C5 | N2 | C4 | C3 | 163.5° | 175.3° |
| N2 | C5 | C25 | C24 | 180.0° | 179.8° |
| C5 | N2 | C4 | O3 | 16.5° | 4.7° |
| N2 | C5 | C25 | H24 | 0.1° | 0.0° |
| C25 | C5 | N2 | C4 | 104.7° | 34.8° |
| C5 | C25 | C24 | H24 | 180.0° | 179.7° |
| C25 | C5 | N2 | H5 | 75.3° | 145.2° |
| C5 | C25 | C24 | H23 | 179.7° | 179.7° |
| N2 | C4 | C3 | O3 | 180.0° | 180.0° |
| N2 | C4 | C3 | C26 | 157.5° | 0.0° |
| C4 | C3 | C26 | N6 | 179.8° | 179.7° |
| C4 | C3 | C2 | H4 | 0.2° | 0.0° |
| C3 | C4 | N2 | H5 | 16.4° | 4.6° |
| C4 | C3 | C26 | H25 | 0.2° | 0.1° |
| C3 | C26 | N6 | H25 | 180.0° | 179.8° |
| C26 | C3 | C4 | O3 | 22.5° | 180.0° |
| C26 | C3 | C2 | H4 | 179.7° | 180.0° |
| C11 | C12 | N3 | C13 | 31.1° | 154.0° |
| C11 | C12 | N3 | H10 | 148.9° | 26.0° |
| C11 | C12 | C21 | H20 | 179.7° | 180.0° |
| C12 | N3 | C13 | H10 | 180.0° | 180.0° |
| C12 | N3 | C13 | O2 | 1.6° | 5.8° |
| C12 | N3 | C13 | C14 | 177.4° | 174.2° |
| N3 | C12 | C11 | H9 | 0.4° | 0.0° |
| N3 | C12 | C21 | H20 | 0.6° | 0.0° |
| O3 | C4 | N2 | H5 | 163.5° | 175.4° |
| C16 | C18 | C19 | H16 | 180.0° | 180.0° |
| C18 | C16 | N4 | C15 | 0.2° | 0.0° |
| C16 | C18 | C19 | C20 | 179.9° | 180.0° |
| C16 | C18 | C19 | N5 | 0.0° | 0.0° |
| C18 | C16 | C17 | H13 | 179.8° | 90.0° |
| C18 | C16 | C17 | H14 | 60.2° | 150.0° |
| C18 | C16 | C17 | H15 | 59.8° | 30.0° |
| N4 | C16 | C18 | C19 | 0.1° | 0.1° |
| C16 | N4 | C15 | N5 | 0.3° | 0.0° |
| C16 | N4 | C15 | S1 | 179.9° | 179.8° |
| N4 | C16 | C17 | H13 | 0.0° | 90.0° |
| N4 | C16 | C17 | H14 | 120.0° | 29.9° |
| N4 | C16 | C17 | H15 | 120.0° | 149.9° |
| N4 | C16 | C18 | H16 | 179.9° | 180.0° |
| C18 | C19 | C20 | N5 | 180.0° | 180.0° |
| C18 | C19 | N5 | C15 | 0.0° | 0.0° |
| C18 | C19 | C20 | H17 | 180.0° | 90.0° |
| C18 | C19 | C20 | H18 | 60.0° | 150.0° |
| C18 | C19 | C20 | H19 | 60.0° | 30.0° |
| N3 | C13 | O2 | C14 | 179.0° | 180.0° |
| N3 | C13 | C14 | S1 | 85.3° | 180.0° |
| N3 | C13 | C14 | H11 | 35.2° | 60.0° |
| N3 | C13 | C14 | H12 | 154.1° | 60.0° |
| N4 | C15 | N5 | C19 | 0.2° | 0.0° |
| N4 | C15 | N5 | S1 | 179.7° | 179.7° |
| N4 | C15 | S1 | C14 | 8.0° | 0.2° |
| C20 | C19 | N5 | C15 | 179.9° | 180.0° |
| C20 | C19 | C18 | H16 | 0.1° | 0.0° |
| C19 | C20 | H17 | H18 | 120.0° | 120.0° |
| C19 | C20 | H17 | H19 | 120.0° | 120.0° |
| C19 | C20 | H18 | H19 | 120.0° | 120.0° |
| C19 | N5 | C15 | S1 | 179.8° | 179.8° |
| N5 | C19 | C18 | H16 | 180.0° | 180.0° |
| N5 | C19 | C20 | H17 | 0.0° | 90.0° |
| N5 | C19 | C20 | H18 | 120.0° | 30.1° |
| N5 | C19 | C20 | H19 | 120.0° | 150.0° |
| O2 | C13 | C14 | S1 | 95.6° | 0.0° |
| O2 | C13 | N3 | H10 | 178.3° | 174.2° |
| O2 | C13 | C14 | H11 | 143.9° | 120.0° |
| O2 | C13 | C14 | H12 | 25.0° | 120.0° |
| C13 | C14 | S1 | C15 | 81.4° | 180.0° |
| C13 | C14 | S1 | H11 | 120.6° | 120.0° |
| C13 | C14 | S1 | H12 | 120.6° | 120.0° |
| C14 | C13 | N3 | H10 | 2.6° | 5.8° |
| C13 | C14 | H11 | H12 | 118.3° | 120.1° |
| N5 | C15 | S1 | C14 | 171.7° | 180.0° |
| C15 | S1 | C14 | H11 | 39.1° | 60.0° |
| C15 | S1 | C14 | H12 | 158.0° | 59.9° |
| S1 | C14 | H11 | H12 | 118.3° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H13 | C17 | H14 | H15 | 120.0° | 120.1° |
| H17 | C20 | H18 | H19 | 120.0° | 120.0° |
| H20 | C21 | C22 | H21 | 0.3° | 0.2° |
| H21 | C22 | C23 | H22 | 0.6° | 0.4° |
| H23 | C24 | C25 | H24 | 0.3° | 0.0° |
