A1KEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.35Å | 1.36Å | |
| C2 | C31 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | S5 | sing | 1.81Å | 1.79Å | |
| C30 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | S5 | sing | 1.76Å | 1.77Å | |
| C7 | C8 | sing | 1.48Å | 1.49Å | |
| C8 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| O26 | S25 | doub | 1.42Å | 1.44Å | |
| C24 | S25 | sing | 1.76Å | 1.78Å | |
| C24 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| S25 | C27 | sing | 1.81Å | 1.75Å | |
| S25 | O28 | doub | 1.42Å | 1.44Å | |
| C11 | C12 | sing | 1.48Å | 1.50Å | |
| C14 | N13 | sing | 1.46Å | 1.46Å | |
| C12 | N13 | sing | 1.35Å | 1.35Å | |
| C12 | O23 | doub | 1.22Å | 1.22Å | |
| N13 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C22 | C16 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C17 | N18 | sing | 1.47Å | 1.49Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| N18 | H25 | sing | 1.01Å | 1.00Å | |
| N18 | H26 | sing | 1.01Å | 1.00Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | C31 | 118.5° | 119.8° |
| F1 | C2 | C3 | 118.1° | 119.9° |
| C31 | C2 | C3 | 123.4° | 120.3° |
| C2 | C31 | C30 | 118.3° | 120.2° |
| C2 | C31 | H30 | 120.9° | 119.9° |
| C2 | C3 | C4 | 118.3° | 120.1° |
| C2 | C3 | H1 | 120.9° | 120.0° |
| C31 | C30 | C7 | 121.5° | 120.0° |
| C31 | C30 | H29 | 119.2° | 120.0° |
| C30 | C31 | H30 | 120.8° | 119.9° |
| C3 | C4 | C7 | 120.3° | 119.7° |
| C3 | C4 | S5 | 122.0° | 120.2° |
| C4 | C3 | H1 | 120.9° | 120.0° |
| C6 | S5 | C4 | 103.2° | 103.0° |
| S5 | C6 | H2 | 109.5° | 109.5° |
| S5 | C6 | H3 | 109.4° | 109.5° |
| S5 | C6 | H4 | 109.5° | 109.5° |
| C30 | C7 | C4 | 118.2° | 119.7° |
| C30 | C7 | C8 | 117.0° | 120.2° |
| C7 | C30 | H29 | 119.3° | 120.0° |
| C7 | C4 | S5 | 117.7° | 120.1° |
| C4 | C7 | C8 | 124.7° | 120.1° |
| C7 | C8 | C29 | 120.4° | 120.0° |
| C7 | C8 | C9 | 121.0° | 120.0° |
| C29 | C8 | C9 | 118.5° | 120.1° |
| C8 | C29 | C24 | 120.4° | 119.9° |
| C8 | C29 | H28 | 119.8° | 120.1° |
| C8 | C9 | C10 | 121.3° | 120.1° |
| C8 | C9 | H5 | 119.4° | 120.0° |
| C29 | C24 | S25 | 116.5° | 120.1° |
| C29 | C24 | C11 | 121.0° | 119.8° |
| C24 | C29 | H28 | 119.8° | 120.0° |
| C9 | C10 | C11 | 120.6° | 120.1° |
| C10 | C9 | H5 | 119.3° | 119.9° |
| C9 | C10 | H6 | 119.7° | 120.0° |
| O26 | S25 | C24 | 108.6° | 104.3° |
| O26 | S25 | C27 | 108.4° | 110.5° |
| O26 | S25 | O28 | 118.0° | 121.0° |
| S25 | C24 | C11 | 122.5° | 120.1° |
| C24 | S25 | C27 | 104.5° | 104.4° |
| C24 | S25 | O28 | 108.2° | 104.3° |
| C24 | C11 | C10 | 118.2° | 120.0° |
| C24 | C11 | C12 | 123.1° | 120.0° |
| C10 | C11 | C12 | 118.7° | 120.0° |
| C11 | C10 | H6 | 119.7° | 119.9° |
| C27 | S25 | O28 | 108.3° | 110.5° |
| S25 | C27 | H22 | 109.5° | 109.5° |
| S25 | C27 | H23 | 109.5° | 109.5° |
| S25 | C27 | H24 | 109.5° | 109.5° |
| C11 | C12 | N13 | 119.1° | 119.9° |
| C11 | C12 | O23 | 119.1° | 120.0° |
| C14 | N13 | C12 | 125.0° | 120.0° |
| C14 | N13 | C15 | 116.2° | 120.0° |
| N13 | C14 | H7 | 109.5° | 109.5° |
| N13 | C14 | H8 | 109.5° | 109.4° |
| N13 | C14 | H9 | 109.5° | 109.5° |
| N13 | C12 | O23 | 121.9° | 120.0° |
| C12 | N13 | C15 | 118.6° | 119.9° |
| N13 | C15 | C16 | 115.3° | 109.5° |
| N13 | C15 | H10 | 108.0° | 109.5° |
| N13 | C15 | H11 | 108.0° | 109.4° |
| C15 | C16 | C22 | 112.4° | 109.5° |
| C15 | C16 | C17 | 110.4° | 109.5° |
| C16 | C15 | H10 | 108.0° | 109.5° |
| C16 | C15 | H11 | 108.0° | 109.5° |
| C15 | C16 | H12 | 108.2° | 109.5° |
| C16 | C22 | C21 | 111.8° | 109.4° |
| C22 | C16 | C17 | 109.6° | 109.5° |
| C22 | C16 | H12 | 108.1° | 109.5° |
| C16 | C22 | H20 | 108.9° | 109.5° |
| C16 | C22 | H21 | 108.9° | 109.5° |
| C22 | C21 | C20 | 110.8° | 109.5° |
| C22 | C21 | H18 | 109.1° | 109.5° |
| C22 | C21 | H19 | 109.1° | 109.4° |
| C21 | C22 | H20 | 108.9° | 109.5° |
| C21 | C22 | H21 | 108.9° | 109.5° |
| C16 | C17 | N18 | 111.3° | 109.5° |
| C16 | C17 | C19 | 112.8° | 109.5° |
| C17 | C16 | H12 | 108.0° | 109.5° |
| C16 | C17 | H13 | 107.7° | 109.5° |
| C21 | C20 | C19 | 110.6° | 109.5° |
| C21 | C20 | H16 | 109.2° | 109.4° |
| C21 | C20 | H17 | 109.2° | 109.5° |
| C20 | C21 | H18 | 109.1° | 109.5° |
| C20 | C21 | H19 | 109.1° | 109.5° |
| N18 | C17 | C19 | 109.2° | 109.4° |
| N18 | C17 | H13 | 108.0° | 109.5° |
| C17 | N18 | H25 | 109.5° | 111.0° |
| C17 | N18 | H26 | 109.5° | 111.0° |
| C17 | C19 | C20 | 111.3° | 109.5° |
| C19 | C17 | H13 | 107.6° | 109.5° |
| C17 | C19 | H14 | 109.0° | 109.5° |
| C17 | C19 | H15 | 109.0° | 109.5° |
| C20 | C19 | H14 | 109.0° | 109.5° |
| C20 | C19 | H15 | 109.0° | 109.5° |
| C19 | C20 | H16 | 109.2° | 109.5° |
| C19 | C20 | H17 | 109.2° | 109.5° |
| H2 | C6 | H3 | 109.4° | 109.5° |
| H2 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
| H25 | N18 | H26 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | C31 | C3 | 179.4° | 179.8° |
| F1 | C2 | C31 | C30 | 179.1° | 179.8° |
| F1 | C2 | C3 | C4 | 179.3° | 179.7° |
| F1 | C2 | C3 | H1 | 0.7° | 0.3° |
| F1 | C2 | C31 | H30 | 0.8° | 0.3° |
| C2 | C31 | C30 | H30 | 180.0° | 180.0° |
| C31 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C31 | C30 | C7 | 0.1° | 0.0° |
| C31 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C31 | C30 | H29 | 179.9° | 179.9° |
| C3 | C2 | C31 | C30 | 0.2° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 0.5° | 0.0° |
| C2 | C3 | C4 | S5 | 177.2° | 180.0° |
| C3 | C2 | C31 | H30 | 179.8° | 180.0° |
| C31 | C30 | C7 | H29 | 180.0° | 179.9° |
| C31 | C30 | C7 | C4 | 0.6° | 0.0° |
| C31 | C30 | C7 | C8 | 176.2° | 180.0° |
| C3 | C4 | S5 | C6 | 26.6° | 0.0° |
| C3 | C4 | C7 | C30 | 0.7° | 0.0° |
| C3 | C4 | C7 | S5 | 177.8° | 180.0° |
| C3 | C4 | C7 | C8 | 175.8° | 180.0° |
| C6 | S5 | C4 | C7 | 155.7° | 180.0° |
| S5 | C6 | H2 | H3 | 120.0° | 120.0° |
| S5 | C6 | H2 | H4 | 120.0° | 120.0° |
| S5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C30 | C7 | C4 | C8 | 176.5° | 180.0° |
| C30 | C7 | C4 | S5 | 177.0° | 180.0° |
| C30 | C7 | C8 | C29 | 119.6° | 50.0° |
| C30 | C7 | C8 | C9 | 56.4° | 130.3° |
| C7 | C30 | C31 | H30 | 179.9° | 180.0° |
| C4 | C7 | C8 | C29 | 57.0° | 130.0° |
| C4 | C7 | C8 | C9 | 127.0° | 49.6° |
| C7 | C4 | C3 | H1 | 179.5° | 179.9° |
| C4 | C7 | C30 | H29 | 179.5° | 180.0° |
| S5 | C4 | C7 | C8 | 6.4° | 0.0° |
| S5 | C4 | C3 | H1 | 2.8° | 0.0° |
| C4 | S5 | C6 | H2 | 180.0° | 60.0° |
| C4 | S5 | C6 | H3 | 60.0° | 179.9° |
| C4 | S5 | C6 | H4 | 60.0° | 60.0° |
| C7 | C8 | C29 | C9 | 176.1° | 179.6° |
| C7 | C8 | C29 | C24 | 176.0° | 179.7° |
| C7 | C8 | C9 | C10 | 176.0° | 180.0° |
| C7 | C8 | C9 | H5 | 4.0° | 0.1° |
| C7 | C8 | C29 | H28 | 4.0° | 0.0° |
| C8 | C7 | C30 | H29 | 3.7° | 0.1° |
| C8 | C29 | C24 | H28 | 180.0° | 179.7° |
| C29 | C8 | C9 | C10 | 0.1° | 0.4° |
| C8 | C29 | C24 | S25 | 178.3° | 179.7° |
| C8 | C29 | C24 | C11 | 0.2° | 0.6° |
| C29 | C8 | C9 | H5 | 179.9° | 179.7° |
| C9 | C8 | C29 | C24 | 0.1° | 0.7° |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.2° | 0.1° |
| C8 | C9 | C10 | H6 | 179.8° | 180.0° |
| C9 | C8 | C29 | H28 | 179.9° | 179.7° |
| C29 | C24 | S25 | O26 | 16.2° | 138.6° |
| C29 | C24 | S25 | C11 | 178.5° | 179.6° |
| C29 | C24 | C11 | C10 | 0.3° | 0.3° |
| C29 | C24 | S25 | C27 | 99.3° | 105.3° |
| C29 | C24 | S25 | O28 | 145.5° | 10.7° |
| C29 | C24 | C11 | C12 | 177.4° | 179.7° |
| C9 | C10 | C11 | C24 | 0.3° | 0.1° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 177.4° | 180.0° |
| O26 | S25 | C24 | C27 | 115.6° | 116.1° |
| O26 | S25 | C24 | O28 | 129.2° | 127.9° |
| O26 | S25 | C24 | C11 | 162.2° | 41.0° |
| O26 | S25 | C27 | O28 | 129.1° | 136.7° |
| O26 | S25 | C27 | H22 | 180.0° | 46.2° |
| O26 | S25 | C27 | H23 | 60.0° | 73.8° |
| O26 | S25 | C27 | H24 | 60.0° | 166.2° |
| S25 | C24 | C11 | C10 | 178.1° | 180.0° |
| C24 | S25 | C27 | O28 | 115.2° | 111.6° |
| S25 | C24 | C11 | C12 | 4.3° | 0.1° |
| C24 | S25 | C27 | H22 | 64.3° | 65.5° |
| C24 | S25 | C27 | H23 | 175.7° | 174.5° |
| C24 | S25 | C27 | H24 | 55.7° | 54.5° |
| S25 | C24 | C29 | H28 | 1.7° | 0.1° |
| C24 | C11 | C10 | C12 | 177.7° | 180.0° |
| C11 | C24 | S25 | C27 | 82.2° | 75.0° |
| C11 | C24 | S25 | O28 | 33.0° | 168.9° |
| C24 | C11 | C12 | N13 | 109.8° | 123.1° |
| C24 | C11 | C12 | O23 | 70.1° | 56.9° |
| C24 | C11 | C10 | H6 | 179.7° | 180.0° |
| C11 | C24 | C29 | H28 | 179.8° | 179.7° |
| C10 | C11 | C12 | N13 | 72.5° | 56.9° |
| C10 | C11 | C12 | O23 | 107.5° | 123.1° |
| C11 | C10 | C9 | H5 | 179.8° | 180.0° |
| S25 | C27 | H22 | H23 | 120.0° | 120.0° |
| S25 | C27 | H22 | H24 | 120.0° | 120.0° |
| S25 | C27 | H23 | H24 | 120.0° | 120.0° |
| O28 | S25 | C27 | H22 | 50.9° | 177.1° |
| O28 | S25 | C27 | H23 | 69.1° | 62.9° |
| O28 | S25 | C27 | H24 | 170.9° | 57.1° |
| C11 | C12 | N13 | C14 | 6.9° | 5.4° |
| C11 | C12 | N13 | O23 | 179.9° | 180.0° |
| C11 | C12 | N13 | C15 | 176.6° | 174.6° |
| C12 | C11 | C10 | H6 | 2.6° | 0.0° |
| C14 | N13 | C12 | C15 | 176.5° | 180.0° |
| C14 | N13 | C12 | O23 | 173.0° | 174.6° |
| C14 | N13 | C15 | C16 | 78.9° | 90.0° |
| N13 | C14 | H7 | H8 | 120.0° | 120.0° |
| N13 | C14 | H7 | H9 | 120.0° | 120.1° |
| N13 | C14 | H8 | H9 | 120.0° | 120.0° |
| C14 | N13 | C15 | H10 | 42.0° | 150.0° |
| C14 | N13 | C15 | H11 | 160.3° | 30.0° |
| C12 | N13 | C15 | C16 | 104.3° | 90.0° |
| C12 | N13 | C14 | H7 | 180.0° | 94.9° |
| C12 | N13 | C14 | H8 | 60.0° | 145.1° |
| C12 | N13 | C14 | H9 | 60.0° | 25.2° |
| C12 | N13 | C15 | H10 | 134.8° | 30.0° |
| C12 | N13 | C15 | H11 | 16.5° | 150.0° |
| O23 | C12 | N13 | C15 | 3.5° | 5.3° |
| N13 | C15 | C16 | H10 | 120.9° | 120.0° |
| N13 | C15 | C16 | H11 | 120.9° | 120.0° |
| N13 | C15 | C16 | C22 | 61.4° | 65.0° |
| N13 | C15 | C16 | C17 | 176.0° | 175.0° |
| C15 | N13 | C14 | H7 | 3.4° | 85.0° |
| C15 | N13 | C14 | H8 | 123.4° | 34.9° |
| C15 | N13 | C14 | H9 | 116.6° | 154.9° |
| N13 | C15 | H10 | H11 | 117.3° | 120.0° |
| N13 | C15 | C16 | H12 | 57.9° | 55.0° |
| C15 | C16 | C22 | C17 | 123.1° | 120.0° |
| C15 | C16 | C22 | H12 | 119.3° | 120.0° |
| C15 | C16 | C22 | C21 | 177.8° | 180.0° |
| C15 | C16 | C17 | H12 | 118.1° | 120.0° |
| C15 | C16 | C17 | N18 | 59.6° | 60.0° |
| C15 | C16 | C17 | C19 | 177.3° | 180.0° |
| C16 | C15 | H10 | H11 | 117.3° | 120.0° |
| C15 | C16 | C17 | H13 | 58.7° | 60.0° |
| C15 | C16 | C22 | H20 | 57.4° | 60.0° |
| C15 | C16 | C22 | H21 | 61.8° | 60.0° |
| C16 | C22 | C21 | H20 | 120.3° | 120.0° |
| C16 | C22 | C21 | H21 | 120.3° | 120.0° |
| C22 | C16 | C17 | H12 | 117.6° | 120.0° |
| C16 | C22 | C21 | C20 | 58.2° | 60.0° |
| C22 | C16 | C17 | N18 | 176.2° | 180.0° |
| C22 | C16 | C17 | C19 | 53.0° | 60.0° |
| C22 | C16 | C15 | H10 | 177.8° | 55.0° |
| C22 | C16 | C15 | H11 | 59.5° | 175.0° |
| C22 | C16 | C17 | H13 | 65.6° | 60.0° |
| C16 | C22 | C21 | H18 | 178.4° | 60.0° |
| C16 | C22 | C21 | H19 | 62.0° | 180.0° |
| C16 | C22 | H20 | H21 | 118.9° | 120.0° |
| C21 | C22 | C16 | C17 | 54.7° | 60.0° |
| C22 | C21 | C20 | H18 | 120.2° | 120.0° |
| C22 | C21 | C20 | H19 | 120.2° | 119.9° |
| C22 | C21 | C20 | C19 | 57.8° | 60.0° |
| C21 | C22 | C16 | H12 | 62.9° | 60.0° |
| C22 | C21 | C20 | H16 | 62.4° | 180.0° |
| C22 | C21 | C20 | H17 | 178.0° | 60.0° |
| C22 | C21 | H18 | H19 | 119.4° | 120.0° |
| C21 | C22 | H20 | H21 | 119.0° | 120.0° |
| C16 | C17 | N18 | C19 | 125.2° | 120.1° |
| C16 | C17 | N18 | H13 | 118.0° | 120.0° |
| C16 | C17 | C19 | H13 | 118.6° | 120.0° |
| C16 | C17 | C19 | C20 | 54.2° | 60.0° |
| C17 | C16 | C15 | H10 | 55.1° | 65.0° |
| C17 | C16 | C15 | H11 | 63.1° | 55.0° |
| C16 | C17 | C19 | H14 | 66.1° | 60.0° |
| C16 | C17 | C19 | H15 | 174.5° | 180.0° |
| C17 | C16 | C22 | H20 | 65.7° | 60.0° |
| C17 | C16 | C22 | H21 | 175.0° | 180.0° |
| C16 | C17 | N18 | H25 | 180.0° | 180.0° |
| C16 | C17 | N18 | H26 | 60.0° | 56.0° |
| C21 | C20 | C19 | C17 | 55.8° | 60.0° |
| C21 | C20 | C19 | H16 | 120.2° | 120.0° |
| C21 | C20 | C19 | H17 | 120.2° | 120.0° |
| C21 | C20 | C19 | H14 | 64.4° | 60.0° |
| C21 | C20 | C19 | H15 | 176.1° | 180.0° |
| C21 | C20 | H16 | H17 | 119.5° | 120.0° |
| C20 | C21 | H18 | H19 | 119.4° | 120.0° |
| C20 | C21 | C22 | H20 | 62.1° | 59.9° |
| C20 | C21 | C22 | H21 | 178.5° | 180.0° |
| N18 | C17 | C19 | H13 | 117.1° | 120.0° |
| N18 | C17 | C19 | C20 | 178.6° | 180.0° |
| N18 | C17 | C16 | H12 | 58.6° | 60.0° |
| N18 | C17 | C19 | H14 | 58.3° | 60.0° |
| N18 | C17 | C19 | H15 | 61.2° | 60.0° |
| C17 | N18 | H25 | H26 | 120.0° | 124.0° |
| C17 | C19 | C20 | H14 | 120.3° | 120.0° |
| C17 | C19 | C20 | H15 | 120.3° | 120.0° |
| C19 | C17 | C16 | H12 | 64.6° | 60.0° |
| C17 | C19 | H14 | H15 | 119.2° | 120.0° |
| C17 | C19 | C20 | H16 | 64.3° | 179.9° |
| C17 | C19 | C20 | H17 | 176.0° | 60.0° |
| C19 | C17 | N18 | H25 | 54.8° | 60.0° |
| C19 | C17 | N18 | H26 | 65.2° | 64.0° |
| C20 | C19 | C17 | H13 | 64.4° | 60.0° |
| C20 | C19 | H14 | H15 | 119.1° | 120.0° |
| C19 | C20 | H16 | H17 | 119.5° | 120.0° |
| C19 | C20 | C21 | H18 | 178.0° | 60.0° |
| C19 | C20 | C21 | H19 | 62.4° | 180.0° |
| H2 | C6 | H3 | H4 | 120.0° | 120.0° |
| H5 | C9 | C10 | H6 | 0.2° | 0.1° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H10 | C15 | C16 | H12 | 62.9° | 175.0° |
| H11 | C15 | C16 | H12 | 178.8° | 65.0° |
| H12 | C16 | C17 | H13 | 176.8° | 180.0° |
| H12 | C16 | C22 | H20 | 176.8° | 180.0° |
| H12 | C16 | C22 | H21 | 57.5° | 60.0° |
| H13 | C17 | C19 | H14 | 175.3° | 180.0° |
| H13 | C17 | C19 | H15 | 55.9° | 60.0° |
| H13 | C17 | N18 | H25 | 62.0° | 60.0° |
| H13 | C17 | N18 | H26 | 178.0° | 176.0° |
| H14 | C19 | C20 | H16 | 175.4° | 60.0° |
| H14 | C19 | C20 | H17 | 55.7° | NaN° |
| H15 | C19 | C20 | H16 | 56.0° | 60.0° |
| H15 | C19 | C20 | H17 | 63.7° | 60.0° |
| H16 | C20 | C21 | H18 | 57.8° | 60.0° |
| H16 | C20 | C21 | H19 | 177.4° | 60.0° |
| H17 | C20 | C21 | H18 | 61.9° | 180.0° |
| H17 | C20 | C21 | H19 | 57.7° | 60.0° |
| H18 | C21 | C22 | H20 | 58.1° | NaN° |
| H18 | C21 | C22 | H21 | 61.2° | 60.0° |
| H19 | C21 | C22 | H20 | 177.7° | 60.0° |
| H19 | C21 | C22 | H21 | 58.3° | 60.0° |
| H22 | C27 | H23 | H24 | 120.0° | 120.0° |
| H29 | C30 | C31 | H30 | 0.1° | 0.0° |
