A1KEF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | C31 | doub | 1.39Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | S5 | sing | 1.76Å | 1.77Å | |
| C7 | C8 | sing | 1.48Å | 1.49Å | |
| C6 | S5 | sing | 1.81Å | 1.80Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | S25 | sing | 1.76Å | 1.79Å | |
| C11 | C12 | sing | 1.48Å | 1.49Å | |
| O28 | S25 | doub | 1.42Å | 1.43Å | |
| C14 | N13 | sing | 1.47Å | 1.45Å | |
| S25 | O26 | doub | 1.42Å | 1.44Å | |
| S25 | C27 | sing | 1.81Å | 1.75Å | |
| C12 | N13 | sing | 1.35Å | 1.34Å | |
| C12 | O23 | doub | 1.22Å | 1.21Å | |
| N13 | C15 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C16 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| O18 | H14 | sing | 0.97Å | 0.95Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | C31 | 118.6° | 119.8° |
| F1 | C2 | C3 | 117.6° | 119.9° |
| C31 | C2 | C3 | 123.7° | 120.3° |
| C2 | C31 | C30 | 118.4° | 120.3° |
| C2 | C31 | H28 | 120.8° | 119.9° |
| C2 | C3 | C4 | 117.8° | 120.0° |
| C2 | C3 | H1 | 121.1° | 120.0° |
| C31 | C30 | C7 | 121.1° | 120.0° |
| C31 | C30 | H27 | 119.4° | 120.0° |
| C30 | C31 | H28 | 120.8° | 119.9° |
| C3 | C4 | C7 | 121.2° | 119.7° |
| C3 | C4 | S5 | 119.0° | 120.1° |
| C4 | C3 | H1 | 121.1° | 120.0° |
| C30 | C7 | C4 | 117.7° | 119.7° |
| C30 | C7 | C8 | 117.1° | 120.2° |
| C7 | C30 | H27 | 119.4° | 120.0° |
| C7 | C4 | S5 | 119.5° | 120.1° |
| C4 | C7 | C8 | 125.0° | 120.1° |
| C4 | S5 | C6 | 101.9° | 103.0° |
| C7 | C8 | C9 | 121.1° | 120.0° |
| C7 | C8 | C29 | 120.4° | 120.0° |
| S5 | C6 | H2 | 109.5° | 109.5° |
| S5 | C6 | H3 | 109.5° | 109.5° |
| S5 | C6 | H4 | 109.5° | 109.5° |
| C9 | C8 | C29 | 118.5° | 120.0° |
| C8 | C9 | C10 | 121.3° | 119.9° |
| C8 | C9 | H5 | 119.4° | 120.1° |
| C8 | C29 | C24 | 120.5° | 120.2° |
| C8 | C29 | H26 | 119.7° | 119.9° |
| C9 | C10 | C11 | 120.4° | 119.9° |
| C10 | C9 | H5 | 119.3° | 120.1° |
| C9 | C10 | H6 | 119.8° | 120.0° |
| C29 | C24 | C11 | 120.9° | 120.1° |
| C29 | C24 | S25 | 116.2° | 119.9° |
| C24 | C29 | H26 | 119.7° | 119.9° |
| C10 | C11 | C24 | 118.5° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.0° |
| C11 | C10 | H6 | 119.8° | 120.1° |
| C11 | C24 | S25 | 122.8° | 120.0° |
| C24 | C11 | C12 | 122.1° | 120.0° |
| C24 | S25 | O28 | 107.0° | 104.3° |
| C24 | S25 | O26 | 107.8° | 104.3° |
| C24 | S25 | C27 | 106.1° | 104.4° |
| C11 | C12 | N13 | 118.9° | 120.0° |
| C11 | C12 | O23 | 118.9° | 120.0° |
| O28 | S25 | O26 | 119.1° | 121.0° |
| O28 | S25 | C27 | 108.1° | 110.5° |
| C14 | N13 | C12 | 121.7° | 120.0° |
| C14 | N13 | C15 | 117.5° | 120.0° |
| N13 | C14 | H7 | 109.5° | 109.5° |
| N13 | C14 | H8 | 109.5° | 109.5° |
| N13 | C14 | H9 | 109.5° | 109.4° |
| O26 | S25 | C27 | 108.1° | 110.6° |
| S25 | C27 | H23 | 109.5° | 109.5° |
| S25 | C27 | H24 | 109.5° | 109.4° |
| S25 | C27 | H25 | 109.5° | 109.4° |
| N13 | C12 | O23 | 122.0° | 120.0° |
| C12 | N13 | C15 | 120.8° | 120.0° |
| N13 | C15 | C16 | 112.9° | 109.5° |
| N13 | C15 | H10 | 108.6° | 109.4° |
| N13 | C15 | H11 | 108.6° | 109.5° |
| C21 | C22 | C16 | 112.5° | 109.5° |
| C22 | C21 | C20 | 111.1° | 109.4° |
| C22 | C21 | H19 | 109.1° | 109.4° |
| C22 | C21 | H20 | 109.1° | 109.4° |
| C21 | C22 | H21 | 108.7° | 109.5° |
| C21 | C22 | H22 | 108.7° | 109.5° |
| C22 | C16 | C15 | 108.7° | 109.5° |
| C22 | C16 | C17 | 111.0° | 109.5° |
| C22 | C16 | H12 | 108.3° | 109.5° |
| C16 | C22 | H21 | 108.7° | 109.5° |
| C16 | C22 | H22 | 108.7° | 109.5° |
| C21 | C20 | C19 | 111.1° | 109.5° |
| C21 | C20 | H17 | 109.0° | 109.5° |
| C21 | C20 | H18 | 109.0° | 109.5° |
| C20 | C21 | H19 | 109.1° | 109.5° |
| C20 | C21 | H20 | 109.1° | 109.5° |
| C15 | C16 | C17 | 111.8° | 109.5° |
| C16 | C15 | H10 | 108.6° | 109.4° |
| C16 | C15 | H11 | 108.6° | 109.5° |
| C15 | C16 | H12 | 108.6° | 109.5° |
| C16 | C17 | C19 | 112.4° | 109.5° |
| C16 | C17 | O18 | 110.8° | 109.5° |
| C17 | C16 | H12 | 108.4° | 109.5° |
| C16 | C17 | H13 | 107.6° | 109.5° |
| C20 | C19 | C17 | 109.2° | 109.4° |
| C20 | C19 | H15 | 109.5° | 109.5° |
| C20 | C19 | H16 | 109.5° | 109.5° |
| C19 | C20 | H17 | 109.1° | 109.4° |
| C19 | C20 | H18 | 109.1° | 109.5° |
| C19 | C17 | O18 | 109.4° | 109.4° |
| C19 | C17 | H13 | 107.8° | 109.5° |
| C17 | C19 | H15 | 109.5° | 109.5° |
| C17 | C19 | H16 | 109.5° | 109.5° |
| O18 | C17 | H13 | 108.8° | 109.4° |
| C17 | O18 | H14 | 109.5° | 114.0° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H2 | C6 | H4 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H7 | C14 | H8 | 109.4° | 109.5° |
| H7 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H25 | 109.4° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | C31 | C3 | 176.4° | 179.7° |
| F1 | C2 | C31 | C30 | 176.2° | 179.7° |
| F1 | C2 | C3 | C4 | 176.0° | 179.7° |
| F1 | C2 | C3 | H1 | 4.0° | 0.3° |
| F1 | C2 | C31 | H28 | 3.8° | 0.3° |
| C2 | C31 | C30 | H28 | 180.0° | 180.0° |
| C31 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C31 | C30 | C7 | 0.4° | 0.0° |
| C31 | C2 | C3 | H1 | 179.6° | 180.0° |
| C2 | C31 | C30 | H27 | 179.6° | 180.0° |
| C3 | C2 | C31 | C30 | 0.2° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 0.9° | 0.0° |
| C2 | C3 | C4 | S5 | 172.9° | 180.0° |
| C3 | C2 | C31 | H28 | 179.8° | 180.0° |
| C31 | C30 | C7 | H27 | 180.0° | 180.0° |
| C31 | C30 | C7 | C4 | 0.9° | 0.1° |
| C31 | C30 | C7 | C8 | 173.3° | 180.0° |
| C3 | C4 | C7 | C30 | 1.1° | 0.1° |
| C3 | C4 | C7 | S5 | 173.8° | 180.0° |
| C3 | C4 | C7 | C8 | 172.5° | 180.0° |
| C3 | C4 | S5 | C6 | 50.2° | 0.0° |
| C30 | C7 | C4 | C8 | 173.6° | 180.0° |
| C30 | C7 | C4 | S5 | 172.6° | 180.0° |
| C30 | C7 | C8 | C9 | 45.3° | 130.0° |
| C30 | C7 | C8 | C29 | 130.9° | 50.2° |
| C7 | C30 | C31 | H28 | 179.6° | 180.0° |
| C7 | C4 | S5 | C6 | 135.9° | 180.0° |
| C4 | C7 | C8 | C9 | 141.0° | 50.0° |
| C4 | C7 | C8 | C29 | 42.8° | 129.8° |
| C7 | C4 | C3 | H1 | 179.1° | 180.0° |
| C4 | C7 | C30 | H27 | 179.1° | 180.0° |
| S5 | C4 | C7 | C8 | 13.8° | 0.0° |
| S5 | C4 | C3 | H1 | 7.1° | 0.1° |
| C4 | S5 | C6 | H2 | 180.0° | 60.0° |
| C4 | S5 | C6 | H3 | 60.0° | 60.0° |
| C4 | S5 | C6 | H4 | 60.0° | 179.9° |
| C7 | C8 | C9 | C29 | 176.3° | 179.8° |
| C7 | C8 | C9 | C10 | 176.2° | 180.0° |
| C7 | C8 | C29 | C24 | 176.5° | 179.8° |
| C7 | C8 | C9 | H5 | 3.8° | 0.0° |
| C7 | C8 | C29 | H26 | 3.5° | 0.1° |
| C8 | C7 | C30 | H27 | 6.7° | 0.0° |
| S5 | C6 | H2 | H3 | 120.0° | 120.0° |
| S5 | C6 | H2 | H4 | 120.0° | 120.0° |
| S5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C9 | C8 | C29 | C24 | 0.2° | 0.4° |
| C8 | C9 | C10 | C11 | 0.5° | 0.0° |
| C8 | C9 | C10 | H6 | 179.5° | 180.0° |
| C9 | C8 | C29 | H26 | 179.8° | 179.7° |
| C29 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | C29 | C24 | H26 | 180.0° | 179.8° |
| C8 | C29 | C24 | C11 | 0.1° | 0.5° |
| C8 | C29 | C24 | S25 | 177.9° | 179.8° |
| C29 | C8 | C9 | H5 | 179.9° | 179.8° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | C24 | 0.5° | 0.0° |
| C9 | C10 | C11 | C12 | 175.0° | 180.0° |
| C29 | C24 | C11 | C10 | 0.2° | 0.3° |
| C29 | C24 | C11 | S25 | 177.6° | 179.7° |
| C29 | C24 | C11 | C12 | 175.2° | 179.7° |
| C29 | C24 | S25 | O28 | 19.1° | 138.8° |
| C29 | C24 | S25 | O26 | 148.2° | 10.9° |
| C29 | C24 | S25 | C27 | 96.2° | 105.2° |
| C10 | C11 | C24 | C12 | 175.4° | 180.0° |
| C10 | C11 | C24 | S25 | 177.4° | 180.0° |
| C10 | C11 | C12 | N13 | 70.0° | 56.9° |
| C10 | C11 | C12 | O23 | 114.9° | 123.1° |
| C11 | C10 | C9 | H5 | 179.5° | 180.0° |
| C11 | C24 | S25 | O28 | 158.6° | 41.0° |
| C11 | C24 | S25 | O26 | 29.5° | 168.8° |
| C11 | C24 | S25 | C27 | 86.1° | 75.1° |
| C24 | C11 | C12 | N13 | 114.6° | 123.0° |
| C24 | C11 | C12 | O23 | 60.5° | 56.9° |
| C24 | C11 | C10 | H6 | 179.5° | 180.0° |
| C11 | C24 | C29 | H26 | 179.8° | 179.7° |
| S25 | C24 | C11 | C12 | 7.2° | 0.0° |
| C24 | S25 | O28 | O26 | 122.4° | 116.8° |
| C24 | S25 | O28 | C27 | 113.9° | 111.7° |
| C24 | S25 | O26 | C27 | 114.3° | 111.7° |
| C24 | S25 | C27 | H23 | 180.0° | 65.4° |
| C24 | S25 | C27 | H24 | 60.0° | 174.6° |
| C24 | S25 | C27 | H25 | 60.0° | 54.5° |
| S25 | C24 | C29 | H26 | 2.1° | 0.0° |
| C11 | C12 | N13 | C14 | 4.4° | 5.3° |
| C11 | C12 | N13 | O23 | 175.0° | 180.0° |
| C11 | C12 | N13 | C15 | 175.9° | 174.6° |
| C12 | C11 | C10 | H6 | 5.0° | 0.0° |
| O28 | S25 | O26 | C27 | 123.8° | 131.5° |
| O28 | S25 | C27 | H23 | 65.5° | 46.1° |
| O28 | S25 | C27 | H24 | 54.5° | 73.9° |
| O28 | S25 | C27 | H25 | 174.5° | 166.1° |
| C14 | N13 | C12 | C15 | 179.7° | 179.9° |
| C14 | N13 | C12 | O23 | 170.6° | 174.7° |
| C14 | N13 | C15 | C16 | 71.5° | 90.0° |
| N13 | C14 | H7 | H8 | 120.0° | 120.1° |
| N13 | C14 | H7 | H9 | 120.0° | 119.9° |
| N13 | C14 | H8 | H9 | 120.0° | 120.0° |
| C14 | N13 | C15 | H10 | 49.0° | 30.0° |
| C14 | N13 | C15 | H11 | 168.1° | 150.0° |
| O26 | S25 | C27 | H23 | 64.6° | 177.1° |
| O26 | S25 | C27 | H24 | 175.4° | 62.9° |
| O26 | S25 | C27 | H25 | 55.4° | 57.1° |
| S25 | C27 | H23 | H24 | 120.0° | 120.0° |
| S25 | C27 | H23 | H25 | 120.0° | 120.0° |
| S25 | C27 | H24 | H25 | 120.0° | 119.9° |
| C12 | N13 | C15 | C16 | 108.8° | 90.0° |
| C12 | N13 | C14 | H7 | 180.0° | 94.9° |
| C12 | N13 | C14 | H8 | 60.0° | 145.1° |
| C12 | N13 | C14 | H9 | 60.0° | 25.0° |
| C12 | N13 | C15 | H10 | 130.7° | 150.1° |
| C12 | N13 | C15 | H11 | 11.7° | 30.1° |
| O23 | C12 | N13 | C15 | 9.2° | 5.4° |
| N13 | C15 | C16 | C22 | 61.9° | 65.0° |
| N13 | C15 | C16 | H10 | 120.5° | 119.9° |
| N13 | C15 | C16 | H11 | 120.5° | 120.0° |
| N13 | C15 | C16 | C17 | 175.2° | 175.0° |
| C15 | N13 | C14 | H7 | 0.3° | 85.1° |
| C15 | N13 | C14 | H8 | 120.2° | 34.9° |
| C15 | N13 | C14 | H9 | 119.7° | 154.9° |
| N13 | C15 | H10 | H11 | 118.4° | 120.0° |
| N13 | C15 | C16 | H12 | 55.6° | 55.0° |
| C21 | C22 | C16 | H21 | 120.5° | 120.0° |
| C21 | C22 | C16 | H22 | 120.5° | 120.0° |
| C22 | C21 | C20 | H19 | 120.3° | 120.0° |
| C22 | C21 | C20 | H20 | 120.2° | 119.9° |
| C21 | C22 | C16 | C15 | 173.7° | 180.0° |
| C21 | C22 | C16 | C17 | 50.3° | 60.0° |
| C22 | C21 | C20 | C19 | 57.4° | 60.0° |
| C21 | C22 | C16 | H12 | 68.6° | 60.0° |
| C22 | C21 | C20 | H17 | 62.8° | 179.9° |
| C22 | C21 | C20 | H18 | 177.7° | 60.0° |
| C22 | C21 | H19 | H20 | 119.2° | 119.9° |
| C21 | C22 | H21 | H22 | 118.6° | 120.0° |
| C16 | C22 | C21 | C20 | 52.8° | 60.0° |
| C22 | C16 | C15 | C17 | 122.9° | 120.0° |
| C22 | C16 | C15 | H12 | 117.6° | 120.0° |
| C22 | C16 | C17 | H12 | 118.8° | 120.0° |
| C22 | C16 | C17 | C19 | 53.5° | 60.0° |
| C22 | C16 | C17 | O18 | 176.2° | 180.0° |
| C22 | C16 | C15 | H10 | 177.5° | 175.0° |
| C22 | C16 | C15 | H11 | 58.6° | 55.0° |
| C22 | C16 | C17 | H13 | 64.9° | 60.0° |
| C16 | C22 | C21 | H19 | 173.1° | 60.0° |
| C16 | C22 | C21 | H20 | 67.5° | 180.0° |
| C16 | C22 | H21 | H22 | 118.6° | 120.0° |
| C21 | C20 | C19 | H17 | 120.2° | 119.9° |
| C21 | C20 | C19 | H18 | 120.2° | 120.1° |
| C21 | C20 | C19 | C17 | 59.7° | 60.1° |
| C21 | C20 | C19 | H15 | 179.6° | 60.0° |
| C21 | C20 | C19 | H16 | 60.3° | 180.0° |
| C21 | C20 | H17 | H18 | 119.2° | 120.1° |
| C20 | C21 | H19 | H20 | 119.3° | 120.1° |
| C20 | C21 | C22 | H21 | 173.3° | 60.0° |
| C20 | C21 | C22 | H22 | 67.7° | 179.9° |
| C15 | C16 | C17 | H12 | 119.6° | 120.0° |
| C15 | C16 | C17 | C19 | 175.1° | 180.0° |
| C15 | C16 | C17 | O18 | 62.2° | 60.0° |
| C16 | C15 | H10 | H11 | 118.4° | 120.0° |
| C15 | C16 | C17 | H13 | 56.6° | 60.0° |
| C15 | C16 | C22 | H21 | 65.9° | 60.0° |
| C15 | C16 | C22 | H22 | 53.2° | 60.0° |
| C16 | C17 | C19 | C20 | 57.8° | 60.0° |
| C16 | C17 | C19 | O18 | 123.5° | 120.0° |
| C16 | C17 | C19 | H13 | 118.3° | 120.0° |
| C16 | C17 | O18 | H13 | 118.1° | 120.0° |
| C17 | C16 | C15 | H10 | 54.6° | 55.0° |
| C17 | C16 | C15 | H11 | 64.3° | 65.0° |
| C16 | C17 | O18 | H14 | 180.0° | 180.0° |
| C16 | C17 | C19 | H15 | 177.8° | 60.0° |
| C16 | C17 | C19 | H16 | 62.1° | 180.0° |
| C17 | C16 | C22 | H21 | 170.8° | 60.0° |
| C17 | C16 | C22 | H22 | 70.2° | 180.0° |
| C20 | C19 | C17 | H15 | 119.9° | 120.0° |
| C20 | C19 | C17 | H16 | 119.9° | 120.0° |
| C20 | C19 | C17 | O18 | 178.7° | 180.0° |
| C20 | C19 | C17 | H13 | 60.5° | 60.0° |
| C20 | C19 | H15 | H16 | 120.1° | 120.0° |
| C19 | C20 | H17 | H18 | 119.3° | 120.0° |
| C19 | C20 | C21 | H19 | 177.7° | 59.9° |
| C19 | C20 | C21 | H20 | 62.8° | 180.0° |
| C19 | C17 | O18 | H13 | 117.5° | 120.0° |
| C19 | C17 | C16 | H12 | 65.3° | 60.0° |
| C19 | C17 | O18 | H14 | 55.5° | 60.0° |
| C17 | C19 | H15 | H16 | 120.1° | 120.0° |
| C17 | C19 | C20 | H17 | 60.6° | 180.0° |
| C17 | C19 | C20 | H18 | 179.9° | 60.0° |
| O18 | C17 | C16 | H12 | 57.4° | 60.0° |
| O18 | C17 | C19 | H15 | 58.7° | 60.0° |
| O18 | C17 | C19 | H16 | 61.4° | 60.0° |
| H2 | C6 | H3 | H4 | 120.0° | 120.0° |
| H5 | C9 | C10 | H6 | 0.5° | 0.0° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H10 | C15 | C16 | H12 | 64.9° | 65.0° |
| H11 | C15 | C16 | H12 | 176.1° | 175.0° |
| H12 | C16 | C17 | H13 | 176.3° | 180.0° |
| H12 | C16 | C22 | H21 | 51.9° | 180.0° |
| H12 | C16 | C22 | H22 | 171.0° | 60.0° |
| H13 | C17 | O18 | H14 | 62.0° | 60.0° |
| H13 | C17 | C19 | H15 | 59.4° | 180.0° |
| H13 | C17 | C19 | H16 | 179.6° | 60.0° |
| H15 | C19 | C20 | H17 | 59.4° | 60.0° |
| H15 | C19 | C20 | H18 | 60.1° | 180.0° |
| H16 | C19 | C20 | H17 | 179.5° | 60.0° |
| H16 | C19 | C20 | H18 | 60.0° | 60.0° |
| H17 | C20 | C21 | H19 | 57.5° | 60.0° |
| H17 | C20 | C21 | H20 | 177.0° | 60.1° |
| H18 | C20 | C21 | H19 | 62.1° | 180.0° |
| H18 | C20 | C21 | H20 | 57.5° | 59.9° |
| H19 | C21 | C22 | H21 | 66.5° | 179.9° |
| H19 | C21 | C22 | H22 | 52.6° | 60.0° |
| H20 | C21 | C22 | H21 | 53.0° | 60.0° |
| H20 | C21 | C22 | H22 | 172.1° | 60.0° |
| H23 | C27 | H24 | H25 | 120.0° | 120.1° |
| H27 | C30 | C31 | H28 | 0.4° | 0.0° |
