5YX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S2 | doub | 1.42Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | C2 | sing | 1.53Å | 1.51Å | |
| C14 | S2 | sing | 1.81Å | 1.78Å | |
| S2 | O2 | doub | 1.42Å | 1.45Å | |
| S2 | C13 | sing | 1.81Å | 1.78Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C5 | sing | 1.51Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C5 | S1 | sing | 1.71Å | 1.72Å | Aromatic |
| C5 | N1 | doub | 1.29Å | 1.31Å | Aromatic |
| S1 | C7 | sing | 1.76Å | 1.72Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| N3 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.45Å | |
| C6 | C15 | sing | 1.48Å | 1.42Å | |
| F3 | C26 | sing | 1.35Å | 1.35Å | |
| C11 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| F2 | C25 | sing | 1.35Å | 1.34Å | |
| C8 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.37Å | Aromatic |
| C26 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C10 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C19 | sing | 1.40Å | 1.34Å | |
| N4 | S3 | sing | 1.66Å | 1.56Å | |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | S3 | sing | 1.76Å | 1.80Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| O4 | S3 | doub | 1.42Å | 1.45Å | |
| S3 | O3 | doub | 1.42Å | 1.46Å | |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | F1 | sing | 1.35Å | 1.35Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S2 | C14 | 111.3° | 108.6° |
| O1 | S2 | O2 | 119.6° | 119.2° |
| O1 | S2 | C13 | 107.8° | 108.6° |
| C1 | C2 | C4 | 108.8° | 109.5° |
| C1 | C2 | C3 | 110.8° | 109.5° |
| C1 | C2 | C5 | 106.8° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.4° | 109.5° |
| C4 | C2 | C3 | 108.3° | 109.5° |
| C4 | C2 | C5 | 111.3° | 109.5° |
| C2 | C4 | H3 | 109.5° | 109.5° |
| C2 | C4 | H4 | 109.5° | 109.4° |
| C2 | C4 | H5 | 109.5° | 109.5° |
| C14 | S2 | O2 | 105.9° | 108.6° |
| C14 | S2 | C13 | 102.1° | 101.9° |
| S2 | C14 | H8 | 109.5° | 109.5° |
| S2 | C14 | H9 | 109.5° | 109.5° |
| S2 | C14 | H10 | 109.5° | 109.5° |
| O2 | S2 | C13 | 108.9° | 108.6° |
| S2 | C13 | C12 | 112.9° | 109.5° |
| S2 | C13 | H19 | 108.6° | 109.4° |
| S2 | C13 | H20 | 108.6° | 109.5° |
| C3 | C2 | C5 | 110.8° | 109.5° |
| C2 | C3 | H22 | 109.5° | 109.5° |
| C2 | C3 | H23 | 109.5° | 109.5° |
| C2 | C3 | H24 | 109.5° | 109.5° |
| C2 | C5 | S1 | 120.7° | 124.6° |
| C2 | C5 | N1 | 123.9° | 124.5° |
| C13 | C12 | C11 | 106.6° | 109.5° |
| C13 | C12 | H14 | 110.2° | 109.5° |
| C13 | C12 | H15 | 110.2° | 109.5° |
| C12 | C13 | H19 | 108.6° | 109.5° |
| C12 | C13 | H20 | 108.6° | 109.5° |
| S1 | C5 | N1 | 115.4° | 110.9° |
| C5 | S1 | C7 | 89.8° | 90.5° |
| C5 | N1 | C6 | 109.9° | 117.4° |
| S1 | C7 | C6 | 108.8° | 107.7° |
| S1 | C7 | C8 | 115.5° | 126.2° |
| N1 | C6 | C7 | 116.1° | 113.5° |
| N1 | C6 | C15 | 115.4° | 123.2° |
| C12 | C11 | N3 | 115.5° | 119.1° |
| C12 | C11 | N2 | 117.9° | 119.1° |
| C11 | C12 | H14 | 110.2° | 109.5° |
| C11 | C12 | H15 | 110.2° | 109.5° |
| C11 | N3 | C8 | 116.0° | 120.6° |
| N3 | C11 | N2 | 126.6° | 121.9° |
| N3 | C8 | C7 | 114.0° | 120.6° |
| N3 | C8 | C9 | 122.9° | 118.8° |
| C6 | C7 | C8 | 135.8° | 126.2° |
| C7 | C6 | C15 | 128.4° | 123.3° |
| C7 | C8 | C9 | 123.0° | 120.6° |
| C6 | C15 | C26 | 118.9° | 120.2° |
| C6 | C15 | C16 | 121.5° | 120.1° |
| F3 | C26 | C15 | 118.5° | 120.1° |
| F3 | C26 | C19 | 119.9° | 120.1° |
| C11 | N2 | C10 | 114.7° | 121.1° |
| F2 | C25 | C24 | 115.0° | 120.0° |
| F2 | C25 | C20 | 123.7° | 120.0° |
| C8 | C9 | C10 | 115.5° | 118.3° |
| C8 | C9 | H2 | 122.2° | 120.8° |
| C26 | C15 | C16 | 119.5° | 119.8° |
| C15 | C26 | C19 | 121.6° | 119.8° |
| C15 | C16 | C17 | 119.7° | 120.0° |
| C15 | C16 | H21 | 120.2° | 120.0° |
| C26 | C19 | N4 | 119.3° | 120.0° |
| C26 | C19 | C18 | 118.4° | 119.9° |
| C25 | C24 | C23 | 119.5° | 120.0° |
| C24 | C25 | C20 | 121.3° | 120.0° |
| C25 | C24 | H7 | 120.2° | 120.0° |
| C24 | C23 | C22 | 119.9° | 120.0° |
| C24 | C23 | H6 | 120.1° | 120.0° |
| C23 | C24 | H7 | 120.2° | 120.0° |
| C25 | C20 | S3 | 121.7° | 120.0° |
| C25 | C20 | C21 | 119.1° | 120.0° |
| N2 | C10 | C9 | 124.2° | 119.2° |
| N2 | C10 | H1 | 117.9° | 120.3° |
| C16 | C17 | C18 | 120.3° | 120.2° |
| C16 | C17 | H11 | 119.8° | 119.8° |
| C17 | C16 | H21 | 120.1° | 120.0° |
| C19 | N4 | S3 | 125.9° | 120.0° |
| N4 | C19 | C18 | 122.2° | 120.0° |
| C19 | N4 | H25 | 105.2° | 120.1° |
| N4 | S3 | C20 | 106.8° | 107.2° |
| N4 | S3 | O4 | 110.3° | 106.4° |
| N4 | S3 | O3 | 115.3° | 106.4° |
| S3 | N4 | H25 | 105.2° | 119.9° |
| C19 | C18 | C17 | 120.5° | 120.3° |
| C19 | C18 | H13 | 119.8° | 119.9° |
| C9 | C10 | H1 | 117.9° | 120.4° |
| C10 | C9 | H2 | 122.3° | 120.9° |
| C23 | C22 | C21 | 121.0° | 120.0° |
| C23 | C22 | F1 | 117.4° | 120.0° |
| C22 | C23 | H6 | 120.1° | 120.0° |
| C18 | C17 | H11 | 119.9° | 119.9° |
| C17 | C18 | H13 | 119.7° | 119.9° |
| S3 | C20 | C21 | 119.2° | 120.0° |
| C20 | S3 | O4 | 104.0° | 106.4° |
| C20 | S3 | O3 | 106.1° | 106.4° |
| C20 | C21 | C22 | 119.2° | 120.0° |
| C20 | C21 | H12 | 120.4° | 120.0° |
| O4 | S3 | O3 | 113.4° | 123.1° |
| C21 | C22 | F1 | 121.7° | 120.0° |
| C22 | C21 | H12 | 120.4° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H3 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H8 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H18 | 109.5° | 109.4° |
| H17 | C1 | H18 | 109.5° | 109.4° |
| H19 | C13 | H20 | 109.4° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.4° |
| H22 | C3 | H24 | 109.4° | 109.5° |
| H23 | C3 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S2 | C14 | O2 | 131.4° | 131.0° |
| O1 | S2 | C14 | C13 | 114.7° | 114.5° |
| O1 | S2 | O2 | C13 | 124.4° | 125.0° |
| O1 | S2 | C13 | C12 | 159.8° | 65.5° |
| O1 | S2 | C14 | H8 | 180.0° | 54.6° |
| O1 | S2 | C14 | H9 | 60.0° | 174.5° |
| O1 | S2 | C14 | H10 | 60.0° | 65.5° |
| O1 | S2 | C13 | H19 | 39.3° | 54.5° |
| O1 | S2 | C13 | H20 | 79.6° | 174.5° |
| C1 | C2 | C4 | C3 | 120.5° | 120.0° |
| C1 | C2 | C4 | C5 | 117.5° | 119.9° |
| C1 | C2 | C3 | C5 | 118.4° | 120.0° |
| C1 | C2 | C5 | S1 | 119.3° | 0.0° |
| C1 | C2 | C5 | N1 | 59.3° | 179.6° |
| C1 | C2 | C4 | H3 | 180.0° | 60.0° |
| C1 | C2 | C4 | H4 | 60.0° | 60.0° |
| C1 | C2 | C4 | H5 | 60.0° | 180.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.1° |
| C2 | C1 | H16 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C1 | C2 | C3 | H22 | 180.0° | 60.0° |
| C1 | C2 | C3 | H23 | 60.0° | 60.0° |
| C1 | C2 | C3 | H24 | 60.0° | 180.0° |
| C4 | C2 | C3 | C5 | 122.3° | 120.0° |
| C4 | C2 | C5 | S1 | 0.6° | 120.0° |
| C4 | C2 | C5 | N1 | 178.0° | 60.4° |
| C2 | C4 | H3 | H4 | 120.0° | 120.0° |
| C2 | C4 | H3 | H5 | 120.0° | 120.0° |
| C2 | C4 | H4 | H5 | 120.0° | 120.0° |
| C4 | C2 | C1 | H16 | 180.0° | 180.0° |
| C4 | C2 | C1 | H17 | 60.0° | 60.0° |
| C4 | C2 | C1 | H18 | 60.0° | 60.0° |
| C4 | C2 | C3 | H22 | 60.7° | 180.0° |
| C4 | C2 | C3 | H23 | 179.3° | 60.0° |
| C4 | C2 | C3 | H24 | 59.3° | 60.0° |
| C14 | S2 | O2 | C13 | 109.1° | 110.1° |
| C14 | S2 | C13 | C12 | 42.6° | 180.0° |
| S2 | C14 | H8 | H9 | 120.0° | 120.0° |
| S2 | C14 | H8 | H10 | 120.0° | 120.0° |
| S2 | C14 | H9 | H10 | 120.0° | 120.0° |
| C14 | S2 | C13 | H19 | 78.0° | 60.0° |
| C14 | S2 | C13 | H20 | 163.1° | 60.0° |
| O2 | S2 | C13 | C12 | 69.1° | 65.5° |
| O2 | S2 | C14 | H8 | 48.6° | 174.4° |
| O2 | S2 | C14 | H9 | 71.4° | 54.5° |
| O2 | S2 | C14 | H10 | 168.6° | 65.5° |
| O2 | S2 | C13 | H19 | 170.4° | 174.5° |
| O2 | S2 | C13 | H20 | 51.4° | 54.5° |
| S2 | C13 | C12 | H19 | 120.5° | 119.9° |
| S2 | C13 | C12 | H20 | 120.5° | 120.0° |
| S2 | C13 | C12 | C11 | 174.2° | 180.0° |
| C13 | S2 | C14 | H8 | 65.3° | 60.0° |
| C13 | S2 | C14 | H9 | 174.7° | 60.0° |
| C13 | S2 | C14 | H10 | 54.7° | 180.0° |
| S2 | C13 | C12 | H14 | 54.6° | 60.0° |
| S2 | C13 | C12 | H15 | 66.3° | 59.9° |
| S2 | C13 | H19 | H20 | 118.4° | 120.0° |
| C3 | C2 | C5 | S1 | 120.0° | 120.0° |
| C3 | C2 | C5 | N1 | 61.4° | 59.6° |
| C3 | C2 | C4 | H3 | 59.5° | 60.0° |
| C3 | C2 | C4 | H4 | 60.5° | 180.0° |
| C3 | C2 | C4 | H5 | 179.5° | 60.0° |
| C3 | C2 | C1 | H16 | 61.0° | 60.0° |
| C3 | C2 | C1 | H17 | 179.0° | 180.0° |
| C3 | C2 | C1 | H18 | 59.0° | 60.0° |
| C2 | C3 | H22 | H23 | 120.0° | 120.0° |
| C2 | C3 | H22 | H24 | 120.0° | 120.0° |
| C2 | C3 | H23 | H24 | 120.0° | 120.0° |
| C2 | C5 | S1 | N1 | 178.7° | 179.7° |
| C2 | C5 | S1 | C7 | 179.0° | 180.0° |
| C2 | C5 | N1 | C6 | 179.5° | 179.9° |
| C5 | C2 | C4 | H3 | 62.6° | 179.9° |
| C5 | C2 | C4 | H4 | 177.4° | 60.0° |
| C5 | C2 | C4 | H5 | 57.5° | 60.0° |
| C5 | C2 | C1 | H16 | 59.8° | 60.0° |
| C5 | C2 | C1 | H17 | 60.2° | 60.0° |
| C5 | C2 | C1 | H18 | 179.8° | 180.0° |
| C5 | C2 | C3 | H22 | 61.6° | 60.0° |
| C5 | C2 | C3 | H23 | 58.4° | 179.9° |
| C5 | C2 | C3 | H24 | 178.4° | 60.1° |
| C13 | C12 | C11 | H14 | 119.6° | 120.0° |
| C13 | C12 | C11 | H15 | 119.5° | 120.0° |
| C13 | C12 | C11 | N3 | 50.6° | 85.3° |
| C13 | C12 | C11 | N2 | 129.0° | 94.8° |
| C13 | C12 | H14 | H15 | 121.3° | 120.0° |
| C12 | C13 | H19 | H20 | 118.4° | 120.0° |
| S1 | C5 | N1 | C6 | 0.9° | 0.2° |
| C5 | S1 | C7 | C6 | 0.4° | 0.3° |
| C5 | S1 | C7 | C8 | 180.0° | 180.0° |
| N1 | C5 | S1 | C7 | 0.3° | 0.3° |
| C5 | N1 | C6 | C7 | 1.2° | 0.1° |
| C5 | N1 | C6 | C15 | 177.7° | 180.0° |
| S1 | C7 | C6 | N1 | 0.9° | 0.3° |
| S1 | C7 | C8 | N3 | 46.5° | 174.2° |
| S1 | C7 | C6 | C8 | 179.6° | 179.7° |
| S1 | C7 | C6 | C15 | 176.9° | 179.8° |
| S1 | C7 | C8 | C9 | 132.7° | 5.8° |
| N1 | C6 | C7 | C15 | 176.0° | 179.9° |
| N1 | C6 | C7 | C8 | 179.5° | 180.0° |
| N1 | C6 | C15 | C26 | 121.6° | 58.9° |
| N1 | C6 | C15 | C16 | 56.6° | 121.1° |
| C12 | C11 | N3 | N2 | 179.5° | 180.0° |
| C12 | C11 | N3 | C8 | 179.8° | 180.0° |
| C12 | C11 | N2 | C10 | 179.7° | 180.0° |
| C11 | C12 | H14 | H15 | 121.3° | 120.0° |
| C11 | C12 | C13 | H19 | 65.3° | 60.1° |
| C11 | C12 | C13 | H20 | 53.7° | 60.0° |
| C11 | N3 | C8 | C7 | 179.4° | 180.0° |
| C11 | N3 | C8 | C9 | 0.3° | 0.0° |
| N3 | C11 | N2 | C10 | 0.2° | 0.0° |
| N3 | C11 | C12 | H14 | 170.2° | 154.7° |
| N3 | C11 | C12 | H15 | 68.9° | 34.8° |
| N3 | C8 | C7 | C6 | 134.0° | 6.2° |
| N3 | C8 | C7 | C9 | 179.2° | 180.0° |
| C8 | N3 | C11 | N2 | 0.3° | 0.0° |
| N3 | C8 | C9 | C10 | 0.1° | 0.1° |
| N3 | C8 | C9 | H2 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 46.9° | 173.8° |
| C7 | C6 | C15 | C26 | 54.4° | 121.1° |
| C7 | C6 | C15 | C16 | 127.5° | 59.0° |
| C8 | C7 | C6 | C15 | 3.5° | 0.1° |
| C7 | C8 | C9 | C10 | 179.2° | 180.0° |
| C7 | C8 | C9 | H2 | 0.8° | 0.0° |
| C6 | C15 | C26 | F3 | 1.7° | 0.3° |
| C6 | C15 | C26 | C16 | 178.2° | 180.0° |
| C6 | C15 | C26 | C19 | 179.1° | 180.0° |
| C6 | C15 | C16 | C17 | 178.7° | 180.0° |
| C6 | C15 | C16 | H21 | 1.3° | 0.0° |
| F3 | C26 | C15 | C19 | 179.2° | 179.7° |
| F3 | C26 | C15 | C16 | 179.9° | 179.7° |
| F3 | C26 | C19 | N4 | 2.3° | 0.3° |
| F3 | C26 | C19 | C18 | 179.6° | 179.7° |
| C11 | N2 | C10 | C9 | 0.0° | 0.1° |
| C11 | N2 | C10 | H1 | 179.9° | 180.0° |
| N2 | C11 | C12 | H14 | 9.4° | 25.2° |
| N2 | C11 | C12 | H15 | 111.5° | 145.2° |
| F2 | C25 | C24 | C20 | 180.0° | 179.9° |
| F2 | C25 | C24 | C23 | 179.7° | 180.0° |
| F2 | C25 | C20 | S3 | 0.0° | 0.0° |
| F2 | C25 | C20 | C21 | 179.9° | 179.7° |
| F2 | C25 | C24 | H7 | 0.3° | 0.0° |
| C8 | C9 | C10 | N2 | 0.0° | 0.1° |
| C8 | C9 | C10 | H2 | 180.0° | 179.9° |
| C8 | C9 | C10 | H1 | 180.0° | 180.0° |
| C26 | C15 | C16 | C17 | 0.6° | 0.0° |
| C15 | C26 | C19 | N4 | 178.5° | 180.0° |
| C15 | C26 | C19 | C18 | 1.2° | 0.0° |
| C26 | C15 | C16 | H21 | 179.4° | 180.0° |
| C16 | C15 | C26 | C19 | 0.9° | 0.0° |
| C15 | C16 | C17 | H21 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C15 | C16 | C17 | H11 | 179.4° | 180.0° |
| C26 | C19 | N4 | C18 | 177.3° | 180.0° |
| C26 | C19 | N4 | S3 | 111.7° | 113.7° |
| C26 | C19 | C18 | C17 | 1.1° | 0.0° |
| C26 | C19 | C18 | H13 | 178.9° | 179.9° |
| C26 | C19 | N4 | H25 | 10.5° | 66.3° |
| C25 | C24 | C23 | H7 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C25 | C20 | S3 | 180.0° | 180.0° |
| C24 | C25 | C20 | C21 | 0.1° | 0.2° |
| C25 | C24 | C23 | H6 | 179.8° | 179.7° |
| C23 | C24 | C25 | C20 | 0.3° | 0.0° |
| C24 | C23 | C22 | H6 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 0.0° | 0.3° |
| C24 | C23 | C22 | F1 | 180.0° | 179.7° |
| C25 | C20 | S3 | N4 | 52.6° | 65.0° |
| C25 | C20 | S3 | C21 | 179.9° | 179.8° |
| C25 | C20 | S3 | O4 | 64.1° | 178.6° |
| C25 | C20 | S3 | O3 | 176.1° | 48.5° |
| C25 | C20 | C21 | C22 | 0.1° | 0.5° |
| C20 | C25 | C24 | H7 | 179.7° | 179.9° |
| C25 | C20 | C21 | H12 | 179.9° | 180.0° |
| N2 | C10 | C9 | H1 | 180.0° | 179.9° |
| N2 | C10 | C9 | H2 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.8° | 0.1° |
| C16 | C17 | C18 | H11 | 180.0° | 179.9° |
| C16 | C17 | C18 | H13 | 179.2° | 180.0° |
| C19 | N4 | S3 | H25 | 122.2° | 180.0° |
| N4 | C19 | C18 | C17 | 178.4° | 180.0° |
| C19 | N4 | S3 | C20 | 83.9° | 65.4° |
| C19 | N4 | S3 | O4 | 163.7° | 178.9° |
| C19 | N4 | S3 | O3 | 33.7° | 48.2° |
| N4 | C19 | C18 | H13 | 1.6° | 0.1° |
| S3 | N4 | C19 | C18 | 71.0° | 66.3° |
| N4 | S3 | C20 | O4 | 116.7° | 113.5° |
| N4 | S3 | C20 | O3 | 123.5° | 113.5° |
| N4 | S3 | C20 | C21 | 127.6° | 114.8° |
| N4 | S3 | O4 | O3 | 131.0° | 122.9° |
| C19 | C18 | C17 | H13 | 180.0° | 179.9° |
| C19 | C18 | C17 | H11 | 179.2° | 180.0° |
| C18 | C19 | N4 | H25 | 166.8° | 113.8° |
| C23 | C22 | C21 | C20 | 0.2° | 0.5° |
| C23 | C22 | C21 | F1 | 180.0° | 180.0° |
| C22 | C23 | C24 | H7 | 179.8° | 180.0° |
| C23 | C22 | C21 | H12 | 179.8° | 180.0° |
| C18 | C17 | C16 | H21 | 179.4° | 180.0° |
| C20 | S3 | O4 | O3 | 114.7° | 123.0° |
| S3 | C20 | C21 | C22 | 179.7° | 179.8° |
| S3 | C20 | C21 | H12 | 0.3° | 0.2° |
| C20 | S3 | N4 | H25 | 38.2° | 114.6° |
| C21 | C20 | S3 | O4 | 115.7° | 1.2° |
| C21 | C20 | S3 | O3 | 4.0° | 131.7° |
| C20 | C21 | C22 | H12 | 180.0° | 179.6° |
| C20 | C21 | C22 | F1 | 179.8° | 179.5° |
| O4 | S3 | N4 | H25 | 74.1° | 1.1° |
| O3 | S3 | N4 | H25 | 155.8° | 131.9° |
| C21 | C22 | C23 | H6 | 180.0° | 179.9° |
| F1 | C22 | C23 | H6 | 0.0° | 0.1° |
| F1 | C22 | C21 | H12 | 0.2° | 0.1° |
| H1 | C10 | C9 | H2 | 0.0° | 0.1° |
| H3 | C4 | H4 | H5 | 120.0° | 120.1° |
| H6 | C23 | C24 | H7 | 0.3° | 0.4° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H11 | C17 | C18 | H13 | 0.8° | 0.1° |
| H11 | C17 | C16 | H21 | 0.6° | 0.0° |
| H14 | C12 | C13 | H19 | 175.2° | 179.9° |
| H14 | C12 | C13 | H20 | 65.9° | 60.0° |
| H15 | C12 | C13 | H19 | 54.3° | 60.0° |
| H15 | C12 | C13 | H20 | 173.2° | 180.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H22 | C3 | H23 | H24 | 120.0° | 120.0° |
