A1JIT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C | sing | 1.81Å | 1.80Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C | C4 | sing | 1.53Å | 1.54Å | |
| O2 | C4 | sing | 1.43Å | 1.42Å | |
| C3 | N | sing | 1.46Å | 1.46Å | |
| N | N1 | sing | 1.29Å | 1.35Å | Aromatic |
| N1 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
| N2 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.37Å | 1.37Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.47Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| F | C9 | sing | 1.35Å | 1.35Å | |
| C9 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| F1 | C10 | sing | 1.35Å | 1.35Å | |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | F2 | sing | 1.35Å | 1.34Å | |
| C13 | C1 | sing | 1.53Å | 1.51Å | |
| O3 | C13 | sing | 1.43Å | 1.42Å | |
| C14 | S | sing | 1.81Å | 1.82Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.51Å | 1.51Å | |
| C22 | C14 | sing | 1.53Å | 1.55Å | |
| O4 | C22 | sing | 1.43Å | 1.44Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | C | O | 106.8° | 109.4° |
| S | C | C4 | 110.8° | 109.5° |
| C | S | C14 | 100.7° | 103.0° |
| S | C | H | 106.8° | 109.5° |
| C | O | C1 | 113.9° | 114.1° |
| O | C | C4 | 111.3° | 109.4° |
| O | C | H | 111.3° | 109.5° |
| O | C1 | C2 | 109.9° | 109.4° |
| O | C1 | C13 | 106.3° | 109.5° |
| O | C1 | H1 | 110.6° | 109.5° |
| C1 | C2 | O1 | 109.9° | 109.6° |
| C1 | C2 | C3 | 108.4° | 109.2° |
| C2 | C1 | C13 | 111.0° | 109.5° |
| C1 | C2 | H2 | 109.6° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| O1 | C2 | C3 | 108.3° | 109.5° |
| O1 | C2 | H2 | 111.0° | 109.5° |
| C2 | O1 | H3 | 109.5° | 114.0° |
| C2 | C3 | C4 | 112.9° | 109.0° |
| C2 | C3 | N | 111.2° | 109.5° |
| C2 | C3 | H4 | 106.9° | 109.6° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| C3 | C4 | C | 108.6° | 109.2° |
| C3 | C4 | O2 | 111.3° | 109.5° |
| C4 | C3 | N | 111.0° | 109.5° |
| C3 | C4 | H5 | 108.6° | 109.5° |
| C4 | C3 | H4 | 107.0° | 109.6° |
| C | C4 | O2 | 109.8° | 109.6° |
| C | C4 | H5 | 108.4° | 109.5° |
| C4 | C | H | 109.8° | 109.5° |
| O2 | C4 | H5 | 110.1° | 109.5° |
| C4 | O2 | H6 | 109.5° | 114.0° |
| C3 | N | N1 | 119.6° | 125.7° |
| C3 | N | C6 | 129.4° | 125.8° |
| N | C3 | H4 | 107.7° | 109.6° |
| N | N1 | N2 | 107.0° | 110.5° |
| N1 | N | C6 | 110.9° | 108.5° |
| N1 | N2 | C5 | 109.1° | 108.8° |
| N2 | C5 | C6 | 107.8° | 106.2° |
| N2 | C5 | C7 | 122.7° | 126.9° |
| C5 | C6 | N | 105.2° | 106.0° |
| C6 | C5 | C7 | 129.4° | 126.9° |
| C5 | C6 | H7 | 127.4° | 127.0° |
| N | C6 | H7 | 127.4° | 127.0° |
| C5 | C7 | C8 | 119.7° | 120.1° |
| C5 | C7 | C12 | 120.4° | 120.0° |
| C7 | C8 | C9 | 119.2° | 119.9° |
| C8 | C7 | C12 | 119.9° | 119.9° |
| C7 | C8 | H8 | 120.4° | 120.0° |
| C8 | C9 | F | 120.0° | 120.0° |
| C8 | C9 | C10 | 121.6° | 120.1° |
| C9 | C8 | H8 | 120.4° | 120.0° |
| F | C9 | C10 | 118.4° | 120.0° |
| C9 | C10 | F1 | 120.4° | 119.9° |
| C9 | C10 | C11 | 118.5° | 120.1° |
| F1 | C10 | C11 | 121.1° | 120.0° |
| C10 | C11 | C12 | 121.8° | 120.1° |
| C10 | C11 | F2 | 118.4° | 120.0° |
| C11 | C12 | C7 | 118.9° | 119.9° |
| C12 | C11 | F2 | 119.7° | 119.9° |
| C11 | C12 | H9 | 120.5° | 120.0° |
| C7 | C12 | H9 | 120.5° | 120.1° |
| C1 | C13 | O3 | 110.1° | 109.5° |
| C1 | C13 | H10 | 109.3° | 109.4° |
| C1 | C13 | H11 | 109.3° | 109.5° |
| C13 | C1 | H1 | 109.6° | 109.5° |
| O3 | C13 | H10 | 109.3° | 109.5° |
| O3 | C13 | H11 | 109.3° | 109.5° |
| C13 | O3 | H12 | 109.5° | 114.0° |
| S | C14 | C15 | 112.9° | 109.5° |
| S | C14 | C22 | 110.8° | 109.4° |
| S | C14 | H13 | 103.2° | 109.5° |
| C14 | C15 | C16 | 121.1° | 120.0° |
| C14 | C15 | C20 | 119.8° | 120.0° |
| C15 | C14 | C22 | 117.3° | 109.5° |
| C15 | C14 | H13 | 105.8° | 109.5° |
| C15 | C16 | C17 | 118.4° | 120.0° |
| C16 | C15 | C20 | 119.1° | 120.0° |
| C15 | C16 | C21 | 122.6° | 120.0° |
| C16 | C17 | C18 | 121.5° | 120.0° |
| C17 | C16 | C21 | 118.9° | 120.0° |
| C16 | C17 | H14 | 119.3° | 120.0° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C18 | C17 | H14 | 119.3° | 120.0° |
| C17 | C18 | H15 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C18 | C19 | H16 | 119.9° | 120.0° |
| C19 | C18 | H15 | 120.0° | 120.0° |
| C19 | C20 | C15 | 121.0° | 120.0° |
| C19 | C20 | H17 | 119.5° | 120.1° |
| C20 | C19 | H16 | 119.9° | 119.9° |
| C15 | C20 | H17 | 119.5° | 120.0° |
| C16 | C21 | H18 | 109.5° | 109.5° |
| C16 | C21 | H19 | 109.5° | 109.5° |
| C16 | C21 | H20 | 109.4° | 109.5° |
| C14 | C22 | O4 | 108.6° | 109.5° |
| C14 | C22 | C23 | 110.0° | 109.5° |
| C14 | C22 | C24 | 112.4° | 109.5° |
| C22 | C14 | H13 | 105.5° | 109.5° |
| O4 | C22 | C23 | 110.0° | 109.5° |
| O4 | C22 | C24 | 105.5° | 109.4° |
| C22 | O4 | H21 | 109.5° | 114.0° |
| C23 | C22 | C24 | 110.3° | 109.4° |
| C22 | C23 | H22 | 109.5° | 109.4° |
| C22 | C23 | H23 | 109.5° | 109.4° |
| C22 | C23 | H24 | 109.5° | 109.4° |
| C22 | C24 | H25 | 109.5° | 109.5° |
| C22 | C24 | H26 | 109.5° | 109.5° |
| C22 | C24 | H27 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.4° | 109.5° |
| H18 | C21 | H20 | 109.5° | 109.4° |
| H19 | C21 | H20 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.4° | 109.5° |
| H25 | C24 | H27 | 109.5° | 109.4° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H24 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C | O | C4 | 121.0° | 120.0° |
| S | C | O | H | 116.3° | 120.0° |
| S | C | O | C1 | 179.4° | 178.9° |
| S | C | C4 | C3 | 171.7° | 177.6° |
| S | C | C4 | H | 117.7° | 120.0° |
| S | C | C4 | O2 | 66.4° | 62.5° |
| C | S | C14 | C15 | 81.5° | 68.0° |
| C | S | C14 | C22 | 144.7° | 172.0° |
| S | C | C4 | H5 | 53.9° | 57.7° |
| C | S | C14 | H13 | 32.3° | 52.0° |
| C | O | C1 | C2 | 61.5° | 61.1° |
| O | C | C4 | C3 | 53.0° | 57.7° |
| O | C | C4 | H | 123.6° | 120.0° |
| O | C | C4 | O2 | 174.9° | 177.6° |
| C | O | C1 | C13 | 178.3° | 178.9° |
| O | C | S | C14 | 57.8° | 70.2° |
| O | C | C4 | H5 | 64.8° | 62.3° |
| C | O | C1 | H1 | 59.4° | 58.9° |
| O | C1 | C2 | C13 | 117.3° | 120.0° |
| O | C1 | C2 | H1 | 121.6° | 120.0° |
| O | C1 | C2 | O1 | 61.3° | 62.4° |
| O | C1 | C2 | C3 | 56.9° | 57.6° |
| C1 | O | C | C4 | 59.6° | 61.1° |
| O | C1 | C13 | H1 | 119.5° | 120.0° |
| O | C1 | C13 | O3 | 64.5° | 65.5° |
| O | C1 | C13 | H10 | 175.4° | 174.5° |
| O | C1 | C13 | H11 | 55.6° | 54.5° |
| O | C1 | C2 | H2 | 176.5° | 177.5° |
| C1 | O | C | H | 63.2° | 58.9° |
| C1 | C2 | O1 | C3 | 118.3° | 119.7° |
| C1 | C2 | O1 | H2 | 121.4° | 120.2° |
| C1 | C2 | C3 | H2 | 119.6° | 119.9° |
| C1 | C2 | C3 | C4 | 55.2° | 57.0° |
| C1 | C2 | C3 | N | 179.4° | 176.8° |
| C2 | C1 | C13 | H1 | 121.0° | 120.0° |
| C2 | C1 | C13 | O3 | 176.0° | 174.5° |
| C2 | C1 | C13 | H10 | 55.9° | 54.6° |
| C2 | C1 | C13 | H11 | 63.9° | 65.5° |
| C1 | C2 | C3 | H4 | 62.2° | 62.9° |
| C1 | C2 | O1 | H3 | 180.0° | 60.3° |
| O1 | C2 | C3 | H2 | 121.2° | 120.1° |
| O1 | C2 | C3 | C4 | 64.1° | 63.0° |
| O1 | C2 | C3 | N | 61.3° | 56.8° |
| O1 | C2 | C1 | C13 | 56.0° | 57.6° |
| O1 | C2 | C3 | H4 | 178.6° | 177.1° |
| O1 | C2 | C1 | H1 | 177.1° | 177.7° |
| C2 | C3 | C4 | N | 125.5° | 119.8° |
| C2 | C3 | C4 | H4 | 117.3° | 119.9° |
| C2 | C3 | C4 | C | 52.8° | 57.0° |
| C2 | C3 | C4 | O2 | 173.8° | 177.0° |
| C2 | C3 | N | H4 | 116.8° | 120.3° |
| C2 | C3 | N | N1 | 116.9° | 95.5° |
| C2 | C3 | N | C6 | 59.8° | 84.5° |
| C3 | C2 | C1 | C13 | 174.2° | 177.6° |
| C2 | C3 | C4 | H5 | 64.9° | 62.9° |
| C3 | C2 | O1 | H3 | 61.7° | 180.0° |
| C3 | C2 | C1 | H1 | 64.7° | 62.4° |
| C3 | C4 | C | O2 | 121.9° | 119.9° |
| C3 | C4 | C | H5 | 117.8° | 119.9° |
| C3 | C4 | O2 | H5 | 120.4° | 120.1° |
| C4 | C3 | N | H4 | 116.7° | 120.2° |
| C4 | C3 | N | N1 | 116.6° | 145.0° |
| C4 | C3 | N | C6 | 66.7° | 35.0° |
| C4 | C3 | C2 | H2 | 174.7° | 176.9° |
| C3 | C4 | O2 | H6 | 180.0° | 180.0° |
| C3 | C4 | C | H | 70.6° | 62.4° |
| C | C4 | O2 | H5 | 119.3° | 120.2° |
| C | C4 | C3 | N | 178.3° | 176.8° |
| C4 | C | S | C14 | 179.1° | 169.9° |
| C | C4 | C3 | H4 | 64.5° | 62.9° |
| C | C4 | O2 | H6 | 59.7° | 60.3° |
| O2 | C4 | C3 | N | 60.7° | 63.2° |
| O2 | C4 | C3 | H4 | 56.5° | 57.0° |
| O2 | C4 | C | H | 51.3° | 57.5° |
| C3 | N | N1 | C6 | 177.2° | 180.0° |
| C3 | N | N1 | N2 | 177.5° | 180.0° |
| C3 | N | C6 | C5 | 177.2° | 180.0° |
| N | C3 | C4 | H5 | 60.6° | 56.9° |
| C3 | N | C6 | H7 | 2.7° | 0.0° |
| N | C3 | C2 | H2 | 59.9° | 63.3° |
| N | N1 | N2 | C5 | 0.1° | 0.0° |
| N1 | N | C6 | C5 | 0.3° | 0.0° |
| N1 | N | C6 | H7 | 179.6° | 180.0° |
| N1 | N | C3 | H4 | 0.1° | 24.8° |
| N1 | N2 | C5 | C6 | 0.1° | 0.0° |
| N2 | N1 | N | C6 | 0.3° | 0.0° |
| N1 | N2 | C5 | C7 | 176.4° | 180.0° |
| N2 | C5 | C6 | C7 | 176.0° | 180.0° |
| N2 | C5 | C6 | N | 0.2° | 0.0° |
| N2 | C5 | C7 | C8 | 161.7° | 0.0° |
| N2 | C5 | C7 | C12 | 16.9° | 179.8° |
| N2 | C5 | C6 | H7 | 179.7° | 180.0° |
| C5 | C6 | N | H7 | 180.0° | 179.9° |
| C6 | C5 | C7 | C8 | 13.8° | 180.0° |
| C6 | C5 | C7 | C12 | 167.6° | 0.2° |
| N | C6 | C5 | C7 | 176.2° | 180.0° |
| C6 | N | C3 | H4 | 176.6° | 155.2° |
| C5 | C7 | C8 | C12 | 178.6° | 179.8° |
| C5 | C7 | C8 | C9 | 178.3° | 180.0° |
| C5 | C7 | C12 | C11 | 178.3° | 180.0° |
| C7 | C5 | C6 | H7 | 3.8° | 0.0° |
| C5 | C7 | C8 | H8 | 1.6° | 0.1° |
| C5 | C7 | C12 | H9 | 1.6° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | F | 179.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | C12 | C11 | 0.2° | 0.2° |
| C8 | C7 | C12 | H9 | 179.8° | 179.7° |
| C8 | C9 | F | C10 | 179.2° | 180.0° |
| C8 | C9 | C10 | F1 | 179.8° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C9 | C8 | C7 | C12 | 0.3° | 0.2° |
| F | C9 | C10 | F1 | 0.6° | 0.0° |
| F | C9 | C10 | C11 | 179.1° | 179.7° |
| F | C9 | C8 | H8 | 0.9° | 0.0° |
| C9 | C10 | F1 | C11 | 179.7° | 179.8° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C9 | C10 | C11 | F2 | 177.3° | 179.7° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| F1 | C10 | C11 | C12 | 179.8° | 179.9° |
| F1 | C10 | C11 | F2 | 2.5° | 0.0° |
| C10 | C11 | C12 | F2 | 177.3° | 180.0° |
| C10 | C11 | C12 | C7 | 0.1° | 0.1° |
| C10 | C11 | C12 | H9 | 179.9° | 179.9° |
| C11 | C12 | C7 | H9 | 180.0° | 179.9° |
| C7 | C12 | C11 | F2 | 177.1° | 180.0° |
| C12 | C7 | C8 | H8 | 179.8° | 179.7° |
| F2 | C11 | C12 | H9 | 2.8° | 0.1° |
| C1 | C13 | O3 | H10 | 120.1° | 119.9° |
| C1 | C13 | O3 | H11 | 120.1° | 120.0° |
| C1 | C13 | H10 | H11 | 119.7° | 120.0° |
| C13 | C1 | C2 | H2 | 66.3° | 62.5° |
| C1 | C13 | O3 | H12 | 180.0° | 180.0° |
| O3 | C13 | H10 | H11 | 119.7° | 120.0° |
| O3 | C13 | C1 | H1 | 55.0° | 54.5° |
| S | C14 | C15 | C22 | 130.6° | 120.0° |
| S | C14 | C15 | H13 | 112.1° | 120.0° |
| S | C14 | C15 | C16 | 124.5° | 155.1° |
| S | C14 | C15 | C20 | 53.9° | 25.3° |
| S | C14 | C22 | H13 | 110.9° | 120.0° |
| S | C14 | C22 | O4 | 63.1° | 177.2° |
| S | C14 | C22 | C23 | 176.5° | 57.2° |
| S | C14 | C22 | C24 | 53.2° | 62.8° |
| C14 | S | C | H | 61.4° | 49.8° |
| C14 | C15 | C16 | C20 | 178.4° | 179.7° |
| C14 | C15 | C16 | C17 | 178.2° | 179.7° |
| C14 | C15 | C20 | C19 | 178.4° | 179.9° |
| C14 | C15 | C16 | C21 | 3.1° | 0.1° |
| C15 | C14 | C22 | H13 | 117.5° | 120.0° |
| C15 | C14 | C22 | O4 | 165.3° | 62.8° |
| C15 | C14 | C22 | C23 | 44.9° | 177.2° |
| C15 | C14 | C22 | C24 | 78.4° | 57.2° |
| C14 | C15 | C20 | H17 | 1.6° | 0.0° |
| C15 | C16 | C17 | C21 | 175.3° | 179.7° |
| C15 | C16 | C17 | C18 | 0.2° | 0.6° |
| C16 | C15 | C20 | C19 | 0.0° | 0.3° |
| C16 | C15 | C14 | C22 | 104.9° | 85.0° |
| C15 | C16 | C17 | H14 | 179.8° | 179.7° |
| C16 | C15 | C20 | H17 | 179.9° | 179.7° |
| C15 | C16 | C21 | H18 | 92.7° | 90.0° |
| C15 | C16 | C21 | H19 | 147.4° | 149.9° |
| C15 | C16 | C21 | H20 | 27.4° | 30.0° |
| C16 | C15 | C14 | H13 | 12.4° | 35.1° |
| C16 | C17 | C18 | H14 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C16 | C15 | C20 | 0.3° | 0.6° |
| C17 | C16 | C21 | H18 | 92.3° | 90.3° |
| C17 | C16 | C21 | H19 | 27.7° | 29.7° |
| C17 | C16 | C21 | H20 | 147.7° | 149.7° |
| C16 | C17 | C18 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | H15 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C16 | C21 | 175.5° | 179.7° |
| C17 | C18 | C19 | H16 | 179.7° | 180.0° |
| C18 | C19 | C20 | H16 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.3° | 0.0° |
| C19 | C18 | C17 | H14 | 179.9° | 180.0° |
| C18 | C19 | C20 | H17 | 179.8° | 180.0° |
| C19 | C20 | C15 | H17 | 180.0° | 180.0° |
| C20 | C19 | C18 | H15 | 179.7° | 179.7° |
| C20 | C15 | C16 | C21 | 175.3° | 179.7° |
| C20 | C15 | C14 | C22 | 76.7° | 94.7° |
| C20 | C15 | C14 | H13 | 166.1° | 145.3° |
| C15 | C20 | C19 | H16 | 179.8° | 180.0° |
| C21 | C16 | C17 | H14 | 4.5° | 0.1° |
| C16 | C21 | H18 | H19 | 120.0° | 120.0° |
| C16 | C21 | H18 | H20 | 120.0° | 120.0° |
| C16 | C21 | H19 | H20 | 120.0° | 120.0° |
| C14 | C22 | O4 | C23 | 120.4° | 120.0° |
| C14 | C22 | O4 | C24 | 120.7° | 120.0° |
| C14 | C22 | C23 | C24 | 124.5° | 120.0° |
| C14 | C22 | C24 | H25 | 180.0° | 59.9° |
| C14 | C22 | C24 | H26 | 60.0° | 180.0° |
| C14 | C22 | C24 | H27 | 60.0° | 60.0° |
| C14 | C22 | C23 | H22 | 180.0° | 65.4° |
| C14 | C22 | C23 | H23 | 60.0° | 174.6° |
| C14 | C22 | C23 | H24 | 60.0° | 54.5° |
| C14 | C22 | O4 | H21 | 180.0° | 60.0° |
| O4 | C22 | C23 | C24 | 115.9° | 119.9° |
| O4 | C22 | C24 | H25 | 61.9° | 60.1° |
| O4 | C22 | C24 | H26 | 58.1° | 60.0° |
| O4 | C22 | C24 | H27 | 178.1° | 180.0° |
| O4 | C22 | C14 | H13 | 47.8° | 57.2° |
| O4 | C22 | C23 | H22 | 60.5° | 174.6° |
| O4 | C22 | C23 | H23 | 179.5° | 54.5° |
| O4 | C22 | C23 | H24 | 59.5° | 65.5° |
| C23 | C22 | C24 | H25 | 56.8° | 180.0° |
| C23 | C22 | C24 | H26 | 176.8° | 60.0° |
| C23 | C22 | C24 | H27 | 63.2° | 60.0° |
| C23 | C22 | C14 | H13 | 72.5° | 62.8° |
| C22 | C23 | H22 | H23 | 120.0° | 120.0° |
| C22 | C23 | H22 | H24 | 120.0° | 119.9° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C23 | C22 | O4 | H21 | 59.6° | 60.0° |
| C22 | C24 | H25 | H26 | 120.0° | 120.1° |
| C22 | C24 | H25 | H27 | 120.0° | 119.9° |
| C22 | C24 | H26 | H27 | 120.0° | 120.0° |
| C24 | C22 | C14 | H13 | 164.2° | 177.2° |
| C24 | C22 | C23 | H22 | 55.4° | 54.6° |
| C24 | C22 | C23 | H23 | 64.6° | 65.4° |
| C24 | C22 | C23 | H24 | 175.5° | 174.6° |
| C24 | C22 | O4 | H21 | 59.3° | 180.0° |
| H5 | C4 | C3 | H4 | 177.8° | 177.1° |
| H5 | C4 | O2 | H6 | 59.6° | 59.8° |
| H5 | C4 | C | H | 171.6° | 177.7° |
| H10 | C13 | C1 | H1 | 65.1° | 65.4° |
| H10 | C13 | O3 | H12 | 59.9° | 60.0° |
| H11 | C13 | C1 | H1 | 175.1° | 174.5° |
| H11 | C13 | O3 | H12 | 59.9° | 60.0° |
| H14 | C17 | C18 | H15 | 0.1° | 0.3° |
| H17 | C20 | C19 | H16 | 0.2° | 0.0° |
| H18 | C21 | H19 | H20 | 120.0° | 119.9° |
| H25 | C24 | H26 | H27 | 120.0° | 120.0° |
| H4 | C3 | C2 | H2 | 57.4° | 57.0° |
| H2 | C2 | O1 | H3 | 58.6° | 59.9° |
| H2 | C2 | C1 | H1 | 54.9° | 57.5° |
| H22 | C23 | H23 | H24 | 120.0° | 120.0° |
| H16 | C19 | C18 | H15 | 0.3° | 0.3° |
