A1KDF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| S1 | C19 | sing | 1.71Å | 1.74Å | Aromatic |
| S1 | C22 | sing | 1.76Å | 1.71Å | Aromatic |
| O3 | C23 | doub | 1.22Å | 1.25Å | |
| C18 | C19 | sing | 1.48Å | 1.48Å | |
| C18 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| C14 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | O2 | sing | 1.36Å | 1.37Å | |
| C23 | C22 | sing | 1.46Å | 1.53Å | |
| C23 | O4 | sing | 1.35Å | 1.19Å | |
| C22 | C20 | doub | 1.37Å | 1.34Å | Aromatic |
| N2 | C20 | sing | 1.31Å | 1.34Å | Aromatic |
| O2 | C13 | sing | 1.43Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.48Å | 1.47Å | |
| C4 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | O1 | sing | 1.36Å | 1.36Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| S2 | C3 | sing | 1.71Å | 1.72Å | Aromatic |
| S2 | C26 | sing | 1.76Å | 1.72Å | Aromatic |
| C3 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| O6 | C27 | doub | 1.22Å | 1.23Å | |
| N1 | C2 | sing | 1.31Å | 1.36Å | Aromatic |
| C26 | C2 | doub | 1.37Å | 1.34Å | Aromatic |
| C26 | C27 | sing | 1.46Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C27 | O5 | sing | 1.35Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| O5 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 121.1° | 120.2° |
| C16 | C17 | C18 | 121.1° | 120.0° |
| C17 | C16 | H11 | 119.5° | 119.9° |
| C16 | C17 | H12 | 119.5° | 120.0° |
| C16 | C15 | C14 | 118.4° | 120.3° |
| C16 | C15 | H10 | 120.8° | 119.9° |
| C15 | C16 | H11 | 119.5° | 119.9° |
| C17 | C18 | C19 | 119.1° | 120.2° |
| C17 | C18 | C24 | 118.0° | 119.7° |
| C18 | C17 | H12 | 119.4° | 120.0° |
| C15 | C14 | C24 | 121.0° | 120.0° |
| C15 | C14 | O2 | 115.5° | 120.0° |
| C14 | C15 | H10 | 120.8° | 119.9° |
| C19 | S1 | C22 | 89.9° | 90.4° |
| S1 | C19 | C18 | 125.2° | 124.8° |
| S1 | C19 | N2 | 110.2° | 110.5° |
| S1 | C22 | C23 | 119.2° | 126.2° |
| S1 | C22 | C20 | 110.7° | 107.7° |
| O3 | C23 | C22 | 121.8° | 120.1° |
| O3 | C23 | O4 | 124.1° | 120.0° |
| C19 | C18 | C24 | 122.7° | 120.1° |
| C18 | C19 | N2 | 124.6° | 124.7° |
| C18 | C24 | C14 | 120.3° | 119.8° |
| C18 | C24 | H24 | 119.9° | 120.1° |
| C19 | N2 | C20 | 114.8° | 117.3° |
| C24 | C14 | O2 | 123.5° | 120.0° |
| C14 | C24 | H24 | 119.9° | 120.1° |
| C14 | O2 | C13 | 118.6° | 117.0° |
| C22 | C23 | O4 | 114.1° | 120.0° |
| C23 | C22 | C20 | 130.0° | 126.1° |
| C23 | O4 | H23 | 109.5° | 117.0° |
| C22 | C20 | N2 | 113.9° | 114.0° |
| C22 | C20 | C21 | 127.4° | 123.0° |
| N2 | C20 | C21 | 118.7° | 123.0° |
| O2 | C13 | C12 | 107.8° | 109.5° |
| O2 | C13 | H8 | 109.9° | 109.5° |
| O2 | C13 | H9 | 109.9° | 109.5° |
| C13 | C12 | C11 | 111.4° | 109.4° |
| C13 | C12 | H6 | 109.0° | 109.4° |
| C13 | C12 | H7 | 109.0° | 109.5° |
| C12 | C13 | H8 | 109.9° | 109.5° |
| C12 | C13 | H9 | 109.9° | 109.4° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H22 | 109.4° | 109.5° |
| C12 | C11 | C10 | 114.0° | 109.5° |
| C11 | C12 | H6 | 109.0° | 109.5° |
| C11 | C12 | H7 | 109.0° | 109.5° |
| C12 | C11 | H18 | 108.4° | 109.4° |
| C12 | C11 | H19 | 108.3° | 109.5° |
| C5 | C6 | C7 | 121.2° | 120.2° |
| C6 | C5 | C4 | 120.1° | 119.9° |
| C6 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | H5 | 119.4° | 119.9° |
| C6 | C7 | C8 | 119.1° | 120.3° |
| C7 | C6 | H5 | 119.4° | 119.9° |
| C6 | C7 | H13 | 120.4° | 119.9° |
| C5 | C4 | C3 | 121.3° | 120.1° |
| C5 | C4 | C25 | 117.9° | 119.8° |
| C4 | C5 | H4 | 120.0° | 120.0° |
| C7 | C8 | C25 | 120.2° | 120.0° |
| C7 | C8 | O1 | 125.4° | 120.0° |
| C8 | C7 | H13 | 120.4° | 119.8° |
| C11 | C10 | C9 | 113.8° | 109.5° |
| C11 | C10 | H16 | 108.4° | 109.5° |
| C11 | C10 | H17 | 108.4° | 109.5° |
| C10 | C11 | H18 | 108.3° | 109.5° |
| C10 | C11 | H19 | 108.3° | 109.5° |
| C3 | C4 | C25 | 120.8° | 120.1° |
| C4 | C3 | S2 | 123.2° | 124.7° |
| C4 | C3 | N1 | 126.6° | 124.8° |
| C4 | C25 | C8 | 121.4° | 119.8° |
| C4 | C25 | H25 | 119.3° | 120.1° |
| C25 | C8 | O1 | 114.0° | 120.0° |
| C8 | C25 | H25 | 119.3° | 120.1° |
| C8 | O1 | C9 | 121.9° | 117.0° |
| C10 | C9 | O1 | 98.2° | 109.5° |
| C10 | C9 | H14 | 112.2° | 109.5° |
| C10 | C9 | H15 | 112.2° | 109.5° |
| C9 | C10 | H16 | 108.4° | 109.5° |
| C9 | C10 | H17 | 108.4° | 109.4° |
| O1 | C9 | H14 | 112.2° | 109.5° |
| O1 | C9 | H15 | 112.2° | 109.4° |
| C3 | S2 | C26 | 92.4° | 90.4° |
| S2 | C3 | N1 | 110.2° | 110.5° |
| S2 | C26 | C2 | 107.2° | 107.7° |
| S2 | C26 | C27 | 121.7° | 126.2° |
| C3 | N1 | C2 | 113.5° | 117.3° |
| O6 | C27 | C26 | 116.1° | 120.0° |
| O6 | C27 | O5 | 123.7° | 120.0° |
| N1 | C2 | C26 | 116.5° | 114.0° |
| N1 | C2 | C1 | 118.8° | 122.9° |
| C2 | C26 | C27 | 131.0° | 126.1° |
| C26 | C2 | C1 | 124.7° | 123.0° |
| C26 | C27 | O5 | 120.2° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C27 | O5 | H26 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H20 | C21 | H22 | 109.5° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H11 | 180.0° | 179.9° |
| C16 | C17 | C18 | H12 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C16 | C17 | C18 | C24 | 4.8° | 0.0° |
| C17 | C16 | C15 | H10 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 3.6° | 0.0° |
| C16 | C15 | C14 | H10 | 180.0° | 180.0° |
| C16 | C15 | C14 | C24 | 1.8° | 0.0° |
| C16 | C15 | C14 | O2 | 179.6° | 179.7° |
| C15 | C16 | C17 | H12 | 176.4° | 179.9° |
| C17 | C18 | C19 | S1 | 9.2° | 179.7° |
| C17 | C18 | C19 | C24 | 174.5° | 180.0° |
| C17 | C18 | C19 | N2 | 172.2° | 0.0° |
| C17 | C18 | C24 | C14 | 2.8° | 0.0° |
| C18 | C17 | C16 | H11 | 176.4° | 180.0° |
| C17 | C18 | C24 | H24 | 177.3° | 179.8° |
| C15 | C14 | C24 | C18 | 0.5° | 0.0° |
| C15 | C14 | C24 | O2 | 178.5° | 179.7° |
| C15 | C14 | O2 | C13 | 138.2° | 0.3° |
| C14 | C15 | C16 | H11 | 179.8° | 179.9° |
| C15 | C14 | C24 | H24 | 179.5° | 179.7° |
| S1 | C19 | C18 | N2 | 178.6° | 179.6° |
| S1 | C19 | C18 | C24 | 165.3° | 0.3° |
| C19 | S1 | C22 | C23 | 176.2° | 179.9° |
| C19 | S1 | C22 | C20 | 1.2° | 0.3° |
| S1 | C19 | N2 | C20 | 6.5° | 0.2° |
| S1 | C22 | C23 | O3 | 5.3° | 179.8° |
| C22 | S1 | C19 | C18 | 175.8° | 180.0° |
| C22 | S1 | C19 | N2 | 2.9° | 0.3° |
| S1 | C22 | C23 | C20 | 176.8° | 179.7° |
| S1 | C22 | C23 | O4 | 174.9° | 0.3° |
| S1 | C22 | C20 | N2 | 5.0° | 0.2° |
| S1 | C22 | C20 | C21 | 176.5° | 179.8° |
| O3 | C23 | C22 | O4 | 179.8° | 180.0° |
| O3 | C23 | C22 | C20 | 177.9° | 0.1° |
| O3 | C23 | O4 | H23 | 0.0° | 0.0° |
| C19 | C18 | C24 | C14 | 177.3° | 180.0° |
| C18 | C19 | N2 | C20 | 172.3° | 179.9° |
| C19 | C18 | C17 | H12 | 0.4° | 0.1° |
| C19 | C18 | C24 | H24 | 2.7° | 0.2° |
| C24 | C18 | C19 | N2 | 13.3° | 180.0° |
| C18 | C24 | C14 | H24 | 180.0° | 179.8° |
| C18 | C24 | C14 | O2 | 179.1° | 179.7° |
| C24 | C18 | C17 | H12 | 175.2° | 179.9° |
| C19 | N2 | C20 | C22 | 7.7° | 0.0° |
| C19 | N2 | C20 | C21 | 173.7° | 180.0° |
| C24 | C14 | O2 | C13 | 40.4° | 179.9° |
| C24 | C14 | C15 | H10 | 178.2° | 180.0° |
| C14 | O2 | C13 | C12 | 97.8° | 180.0° |
| C14 | O2 | C13 | H8 | 22.0° | 60.0° |
| C14 | O2 | C13 | H9 | 142.5° | 60.1° |
| O2 | C14 | C15 | H10 | 0.5° | 0.3° |
| O2 | C14 | C24 | H24 | 0.9° | 0.1° |
| C23 | C22 | C20 | N2 | 172.0° | 180.0° |
| C23 | C22 | C20 | C21 | 6.5° | 0.1° |
| C22 | C23 | O4 | H23 | 179.8° | 180.0° |
| O4 | C23 | C22 | C20 | 1.9° | 180.0° |
| C22 | C20 | N2 | C21 | 178.6° | 180.0° |
| C22 | C20 | C21 | H20 | 178.4° | 90.1° |
| C22 | C20 | C21 | H21 | 61.6° | 30.0° |
| C22 | C20 | C21 | H22 | 58.4° | 150.0° |
| N2 | C20 | C21 | H20 | 0.0° | 90.0° |
| N2 | C20 | C21 | H21 | 120.0° | 150.0° |
| N2 | C20 | C21 | H22 | 120.0° | 30.0° |
| O2 | C13 | C12 | H8 | 119.7° | 120.0° |
| O2 | C13 | C12 | H9 | 119.7° | 120.0° |
| O2 | C13 | C12 | C11 | 61.8° | 180.0° |
| O2 | C13 | C12 | H6 | 58.5° | 60.0° |
| O2 | C13 | C12 | H7 | 177.9° | 60.0° |
| O2 | C13 | H8 | H9 | 120.7° | 120.1° |
| C13 | C12 | C11 | H6 | 120.3° | 119.9° |
| C13 | C12 | C11 | H7 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 123.4° | 180.0° |
| C13 | C12 | H6 | H7 | 119.1° | 120.0° |
| C12 | C13 | H8 | H9 | 120.8° | 119.9° |
| C13 | C12 | C11 | H18 | 115.9° | 60.1° |
| C13 | C12 | C11 | H19 | 2.8° | 60.0° |
| C20 | C21 | H20 | H21 | 120.0° | 120.0° |
| C20 | C21 | H20 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C12 | C11 | C10 | H18 | 120.7° | 119.9° |
| C12 | C11 | C10 | H19 | 120.6° | 120.0° |
| C12 | C11 | C10 | C9 | 85.7° | 180.0° |
| C11 | C12 | H6 | H7 | 119.1° | 120.1° |
| C11 | C12 | C13 | H8 | 178.4° | 60.0° |
| C11 | C12 | C13 | H9 | 57.9° | 60.0° |
| C12 | C11 | C10 | H16 | 35.0° | 59.9° |
| C12 | C11 | C10 | H17 | 153.7° | 60.1° |
| C12 | C11 | H18 | H19 | 118.0° | 120.1° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| C6 | C5 | C4 | C3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C25 | 1.0° | 0.3° |
| C5 | C6 | C7 | H13 | 179.6° | 180.0° |
| C7 | C6 | C5 | C4 | 1.8° | 0.0° |
| C6 | C7 | C8 | H13 | 180.0° | 179.9° |
| C6 | C7 | C8 | C25 | 1.9° | 0.3° |
| C6 | C7 | C8 | O1 | 174.2° | 180.0° |
| C7 | C6 | C5 | H4 | 178.2° | 180.0° |
| C5 | C4 | C3 | C25 | 179.1° | 179.7° |
| C5 | C4 | C25 | C8 | 1.3° | 0.6° |
| C5 | C4 | C3 | S2 | 26.6° | 179.6° |
| C5 | C4 | C3 | N1 | 155.0° | 0.4° |
| C4 | C5 | C6 | H5 | 178.2° | 179.9° |
| C5 | C4 | C25 | H25 | 178.7° | 179.7° |
| C7 | C8 | C25 | C4 | 2.7° | 0.6° |
| C7 | C8 | C25 | O1 | 173.2° | 179.7° |
| C7 | C8 | O1 | C9 | 50.3° | 0.1° |
| C8 | C7 | C6 | H5 | 179.7° | 179.9° |
| C7 | C8 | C25 | H25 | 177.3° | 179.7° |
| C11 | C10 | C9 | H16 | 120.6° | 120.1° |
| C11 | C10 | C9 | H17 | 120.6° | 120.0° |
| C11 | C10 | C9 | O1 | 147.3° | 180.0° |
| C10 | C11 | C12 | H6 | 3.2° | 60.1° |
| C10 | C11 | C12 | H7 | 116.3° | 60.0° |
| C11 | C10 | C9 | H14 | 94.6° | 59.9° |
| C11 | C10 | C9 | H15 | 29.2° | 60.1° |
| C11 | C10 | H16 | H17 | 118.0° | 120.0° |
| C10 | C11 | H18 | H19 | 118.0° | 120.0° |
| C3 | C4 | C25 | C8 | 177.8° | 179.7° |
| C4 | C3 | S2 | N1 | 178.6° | 180.0° |
| C4 | C3 | S2 | C26 | 175.5° | 179.9° |
| C4 | C3 | N1 | C2 | 177.2° | 180.0° |
| C3 | C4 | C5 | H4 | 0.0° | 0.1° |
| C3 | C4 | C25 | H25 | 2.2° | 0.0° |
| C4 | C25 | C8 | H25 | 180.0° | 179.7° |
| C4 | C25 | C8 | O1 | 175.9° | 179.7° |
| C25 | C4 | C3 | S2 | 154.3° | 0.0° |
| C25 | C4 | C3 | N1 | 24.1° | 180.0° |
| C25 | C4 | C5 | H4 | 179.1° | 179.8° |
| C25 | C8 | O1 | C9 | 136.9° | 179.7° |
| C25 | C8 | C7 | H13 | 178.1° | 179.7° |
| C8 | O1 | C9 | C10 | 116.2° | 180.0° |
| O1 | C8 | C7 | H13 | 5.8° | 0.1° |
| C8 | O1 | C9 | H14 | 125.7° | 59.9° |
| C8 | O1 | C9 | H15 | 1.9° | 60.0° |
| O1 | C8 | C25 | H25 | 4.1° | 0.0° |
| C10 | C9 | O1 | H14 | 118.1° | 120.1° |
| C10 | C9 | O1 | H15 | 118.1° | 120.0° |
| C10 | C9 | H14 | H15 | 125.2° | 120.0° |
| C9 | C10 | H16 | H17 | 118.0° | 119.9° |
| C9 | C10 | C11 | H18 | 153.7° | 60.1° |
| C9 | C10 | C11 | H19 | 35.0° | 60.0° |
| O1 | C9 | H14 | H15 | 125.3° | 119.9° |
| O1 | C9 | C10 | H16 | 26.7° | 59.9° |
| O1 | C9 | C10 | H17 | 92.0° | 60.0° |
| S2 | C3 | N1 | C2 | 1.4° | 0.0° |
| C3 | S2 | C26 | C2 | 4.0° | 0.2° |
| C3 | S2 | C26 | C27 | 179.9° | 180.0° |
| C26 | S2 | C3 | N1 | 3.2° | 0.1° |
| S2 | C26 | C27 | O6 | 18.6° | 180.0° |
| S2 | C26 | C2 | N1 | 4.2° | 0.2° |
| S2 | C26 | C2 | C27 | 175.5° | 179.8° |
| S2 | C26 | C2 | C1 | 175.8° | 180.0° |
| S2 | C26 | C27 | O5 | 163.6° | 0.0° |
| C3 | N1 | C2 | C26 | 2.0° | 0.2° |
| C3 | N1 | C2 | C1 | 178.0° | 179.9° |
| O6 | C27 | C26 | C2 | 156.4° | 0.3° |
| O6 | C27 | C26 | O5 | 177.8° | 180.0° |
| O6 | C27 | O5 | H26 | 0.0° | 0.0° |
| N1 | C2 | C26 | C1 | 180.0° | 179.7° |
| N1 | C2 | C26 | C27 | 179.7° | 180.0° |
| N1 | C2 | C1 | H1 | 0.0° | 90.0° |
| N1 | C2 | C1 | H2 | 120.0° | 150.0° |
| N1 | C2 | C1 | H3 | 120.0° | 30.0° |
| C2 | C26 | C27 | O5 | 21.4° | 179.8° |
| C26 | C2 | C1 | H1 | 179.9° | 90.3° |
| C26 | C2 | C1 | H2 | 60.0° | 29.7° |
| C26 | C2 | C1 | H3 | 60.0° | 149.7° |
| C27 | C26 | C2 | C1 | 0.2° | 0.2° |
| C26 | C27 | O5 | H26 | 177.6° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 119.9° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | C6 | H5 | 1.8° | 0.0° |
| H5 | C6 | C7 | H13 | 0.4° | 0.0° |
| H6 | C12 | C13 | H8 | 61.3° | 60.0° |
| H6 | C12 | C13 | H9 | 178.2° | 180.0° |
| H6 | C12 | C11 | H18 | 123.8° | 180.0° |
| H6 | C12 | C11 | H19 | 117.5° | 59.9° |
| H7 | C12 | C13 | H8 | 58.2° | 180.0° |
| H7 | C12 | C13 | H9 | 62.4° | 60.0° |
| H7 | C12 | C11 | H18 | 4.4° | 60.0° |
| H7 | C12 | C11 | H19 | 123.1° | 180.0° |
| H10 | C15 | C16 | H11 | 0.2° | 0.1° |
| H11 | C16 | C17 | H12 | 3.6° | 0.1° |
| H14 | C9 | C10 | H16 | 144.8° | 180.0° |
| H14 | C9 | C10 | H17 | 26.1° | 60.0° |
| H15 | C9 | C10 | H16 | 91.5° | 60.0° |
| H15 | C9 | C10 | H17 | 149.8° | 180.0° |
| H16 | C10 | C11 | H18 | 85.7° | 60.0° |
| H16 | C10 | C11 | H19 | 155.6° | 180.0° |
| H17 | C10 | C11 | H18 | 33.0° | 180.0° |
| H17 | C10 | C11 | H19 | 85.7° | 60.0° |
| H20 | C21 | H21 | H22 | 120.0° | 120.0° |
