A1JB2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.43Å | |
| C | S | sing | 1.76Å | 1.78Å | |
| C | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.32Å | 1.34Å | Aromatic |
| N | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | C8 | sing | 1.36Å | 1.36Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C9 | sing | 1.36Å | 1.36Å | |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | S | sing | 1.66Å | 1.63Å | |
| N1 | C11 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C12 | N2 | sing | 1.47Å | 1.48Å | |
| S1 | N2 | sing | 1.66Å | 1.63Å | |
| C13 | S1 | sing | 1.76Å | 1.78Å | |
| C13 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.40Å | Aromatic |
| N3 | C16 | sing | 1.39Å | 1.45Å | |
| C17 | N3 | sing | 1.47Å | 1.46Å | |
| C18 | N3 | sing | 1.47Å | 1.45Å | |
| C16 | C19 | sing | 1.46Å | 1.41Å | Aromatic |
| C19 | N4 | doub | 1.31Å | 1.35Å | Aromatic |
| N4 | O3 | sing | 1.22Å | 1.32Å | Aromatic |
| O3 | N5 | sing | 1.22Å | 1.33Å | Aromatic |
| N5 | C20 | doub | 1.31Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.41Å | Aromatic |
| C20 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| O5 | S1 | doub | 1.42Å | 1.43Å | |
| N2 | C21 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N1 | sing | 1.47Å | 1.48Å | |
| S | O6 | doub | 1.42Å | 1.43Å | |
| C3 | H | sing | 1.08Å | 1.08Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | C | 107.2° | 106.4° |
| O | S | N1 | 106.7° | 106.4° |
| O | S | O6 | 119.8° | 123.2° |
| S | C | C1 | 121.8° | 120.0° |
| S | C | C10 | 116.8° | 120.0° |
| C | S | N1 | 107.2° | 107.2° |
| C | S | O6 | 108.8° | 106.4° |
| C | C1 | C2 | 124.7° | 120.0° |
| C | C1 | C7 | 117.7° | 119.9° |
| C1 | C | C10 | 121.3° | 120.0° |
| C1 | C2 | C3 | 120.9° | 120.5° |
| C1 | C2 | C6 | 121.7° | 120.6° |
| C2 | C1 | C7 | 117.6° | 120.0° |
| C2 | C3 | C4 | 120.3° | 118.3° |
| C3 | C2 | C6 | 116.6° | 119.0° |
| C2 | C3 | H | 119.9° | 120.9° |
| C3 | C4 | C5 | 118.2° | 119.3° |
| C4 | C3 | H | 119.8° | 120.9° |
| C3 | C4 | H1 | 120.9° | 120.4° |
| C4 | C5 | N | 123.3° | 121.0° |
| C5 | C4 | H1 | 120.9° | 120.3° |
| C4 | C5 | H2 | 118.3° | 119.5° |
| C5 | N | C6 | 117.3° | 121.9° |
| N | C5 | H2 | 118.4° | 119.5° |
| N | C6 | C2 | 124.2° | 120.6° |
| N | C6 | H3 | 117.9° | 119.7° |
| C2 | C6 | H3 | 117.9° | 119.7° |
| C1 | C7 | C8 | 121.3° | 119.8° |
| C1 | C7 | H4 | 119.4° | 120.1° |
| C7 | C8 | O1 | 119.2° | 120.0° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C8 | C7 | H4 | 119.3° | 120.1° |
| O1 | C8 | C9 | 120.9° | 120.0° |
| C8 | O1 | H5 | 109.5° | 114.0° |
| C8 | C9 | O2 | 121.6° | 120.0° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| O2 | C9 | C10 | 118.5° | 120.0° |
| C9 | O2 | H6 | 109.5° | 114.1° |
| C9 | C10 | C | 119.7° | 120.2° |
| C9 | C10 | H7 | 120.2° | 119.9° |
| C | C10 | H7 | 120.1° | 119.9° |
| S | N1 | C11 | 117.0° | 120.6° |
| S | N1 | C22 | 117.7° | 120.6° |
| N1 | S | O6 | 106.6° | 106.4° |
| N1 | C11 | C12 | 108.9° | 108.4° |
| C11 | N1 | C22 | 112.3° | 118.8° |
| N1 | C11 | H8 | 109.6° | 109.6° |
| N1 | C11 | H9 | 109.6° | 109.6° |
| C11 | C12 | N2 | 108.9° | 108.6° |
| C11 | C12 | H10 | 109.6° | 109.8° |
| C11 | C12 | H11 | 109.6° | 109.7° |
| C12 | C11 | H8 | 109.6° | 109.8° |
| C12 | C11 | H9 | 109.6° | 109.7° |
| C12 | N2 | S1 | 117.2° | 120.6° |
| C12 | N2 | C21 | 112.8° | 118.8° |
| N2 | C12 | H10 | 109.6° | 109.6° |
| N2 | C12 | H11 | 109.6° | 109.5° |
| N2 | S1 | C13 | 106.5° | 107.2° |
| N2 | S1 | O4 | 106.9° | 106.4° |
| N2 | S1 | O5 | 106.9° | 106.4° |
| S1 | N2 | C21 | 117.1° | 120.5° |
| S1 | C13 | C14 | 117.9° | 120.0° |
| S1 | C13 | C20 | 121.5° | 119.9° |
| C13 | S1 | O4 | 108.0° | 106.4° |
| C13 | S1 | O5 | 107.9° | 106.4° |
| C13 | C14 | C15 | 120.4° | 122.7° |
| C14 | C13 | C20 | 120.6° | 120.1° |
| C13 | C14 | H12 | 119.8° | 118.7° |
| C14 | C15 | C16 | 120.9° | 121.7° |
| C14 | C15 | H13 | 119.5° | 119.1° |
| C15 | C14 | H12 | 119.8° | 118.6° |
| C15 | C16 | N3 | 122.2° | 120.6° |
| C15 | C16 | C19 | 118.7° | 118.6° |
| C16 | C15 | H13 | 119.6° | 119.2° |
| C16 | N3 | C17 | 120.8° | 111.0° |
| C16 | N3 | C18 | 119.5° | 111.0° |
| N3 | C16 | C19 | 119.0° | 120.7° |
| C17 | N3 | C18 | 114.0° | 111.0° |
| N3 | C17 | H14 | 109.5° | 109.5° |
| N3 | C17 | H15 | 109.4° | 109.4° |
| N3 | C17 | H16 | 109.5° | 109.5° |
| N3 | C18 | H19 | 109.5° | 109.5° |
| N3 | C18 | H17 | 109.5° | 109.5° |
| N3 | C18 | H18 | 109.5° | 109.5° |
| C16 | C19 | N4 | 133.6° | 138.8° |
| C16 | C19 | C20 | 120.9° | 118.2° |
| C19 | N4 | O3 | 108.4° | 109.1° |
| N4 | C19 | C20 | 105.5° | 102.9° |
| N4 | O3 | N5 | 111.5° | 116.2° |
| O3 | N5 | C20 | 106.6° | 109.1° |
| N5 | C20 | C19 | 108.1° | 102.6° |
| N5 | C20 | C13 | 133.5° | 138.8° |
| C19 | C20 | C13 | 118.5° | 118.6° |
| O4 | S1 | O5 | 120.0° | 123.1° |
| N2 | C21 | C22 | 109.3° | 108.6° |
| N2 | C21 | H20 | 109.5° | 109.6° |
| N2 | C21 | H21 | 109.5° | 109.8° |
| C21 | C22 | N1 | 109.1° | 108.6° |
| C21 | C22 | H22 | 109.6° | 109.6° |
| C21 | C22 | H23 | 109.6° | 109.8° |
| C22 | C21 | H20 | 109.5° | 109.6° |
| C22 | C21 | H21 | 109.5° | 109.6° |
| N1 | C22 | H22 | 109.6° | 109.6° |
| N1 | C22 | H23 | 109.5° | 109.7° |
| H22 | C22 | H23 | 109.5° | 109.6° |
| H20 | C21 | H21 | 109.5° | 109.6° |
| H19 | C18 | H17 | 109.5° | 109.5° |
| H19 | C18 | H18 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H14 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.6° |
| H8 | C11 | H9 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | C | N1 | 114.2° | 113.5° |
| O | S | C | O6 | 130.9° | 132.9° |
| O | S | C | C1 | 144.4° | 51.0° |
| O | S | C | C10 | 39.5° | 128.9° |
| O | S | N1 | O6 | 129.2° | 132.9° |
| O | S | N1 | C11 | 10.5° | 18.8° |
| O | S | N1 | C22 | 148.9° | 161.6° |
| S | C | C1 | C10 | 175.9° | 179.9° |
| S | C | C1 | C2 | 8.8° | 0.2° |
| S | C | C1 | C7 | 172.2° | 180.0° |
| S | C | C10 | C9 | 173.4° | 179.4° |
| C | S | N1 | O6 | 116.3° | 113.5° |
| C | S | N1 | C11 | 125.0° | 94.8° |
| C | S | N1 | C22 | 96.6° | 84.9° |
| S | C | C10 | H7 | 6.6° | 0.0° |
| C | C1 | C2 | C7 | 178.9° | 179.8° |
| C | C1 | C2 | C3 | 94.1° | 123.1° |
| C | C1 | C2 | C6 | 75.7° | 57.2° |
| C | C1 | C7 | C8 | 1.4° | 0.2° |
| C1 | C | C10 | C9 | 2.8° | 0.6° |
| C1 | C | S | N1 | 101.4° | 164.5° |
| C1 | C | S | O6 | 13.5° | 81.9° |
| C | C1 | C7 | H4 | 178.6° | 179.8° |
| C1 | C | C10 | H7 | 177.2° | 179.9° |
| C1 | C2 | C3 | C6 | 170.3° | 179.7° |
| C1 | C2 | C3 | C4 | 167.9° | 180.0° |
| C1 | C2 | C6 | N | 167.0° | 179.7° |
| C2 | C1 | C7 | C8 | 177.6° | 180.0° |
| C2 | C1 | C | C10 | 175.2° | 179.7° |
| C1 | C2 | C3 | H | 12.2° | 0.0° |
| C1 | C2 | C6 | H3 | 13.0° | 0.0° |
| C2 | C1 | C7 | H4 | 2.4° | 0.0° |
| C2 | C3 | C4 | H | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C6 | N | 3.2° | 0.6° |
| C3 | C2 | C1 | C7 | 87.0° | 56.8° |
| C2 | C3 | C4 | H1 | 179.8° | 179.9° |
| C3 | C2 | C6 | H3 | 176.8° | 179.7° |
| C3 | C4 | C5 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | N | 1.6° | 0.0° |
| C4 | C3 | C2 | C6 | 2.4° | 0.3° |
| C3 | C4 | C5 | H2 | 178.4° | 180.0° |
| C4 | C5 | N | H2 | 180.0° | 180.0° |
| C4 | C5 | N | C6 | 1.0° | 0.3° |
| C5 | C4 | C3 | H | 179.8° | 179.9° |
| C5 | N | C6 | C2 | 1.5° | 0.6° |
| N | C5 | C4 | H1 | 178.3° | 179.9° |
| C5 | N | C6 | H3 | 178.5° | 179.7° |
| N | C6 | C2 | H3 | 180.0° | 179.6° |
| C6 | N | C5 | H2 | 179.0° | 179.7° |
| C6 | C2 | C1 | C7 | 103.2° | 123.0° |
| C6 | C2 | C3 | H | 177.6° | 179.8° |
| C1 | C7 | C8 | H4 | 180.0° | 180.0° |
| C1 | C7 | C8 | O1 | 175.7° | 179.5° |
| C1 | C7 | C8 | C9 | 1.8° | 0.0° |
| C7 | C1 | C | C10 | 3.7° | 0.1° |
| C7 | C8 | O1 | C9 | 177.5° | 179.4° |
| C7 | C8 | C9 | O2 | 176.9° | 180.0° |
| C7 | C8 | C9 | C10 | 2.8° | 0.6° |
| C7 | C8 | O1 | H5 | 180.0° | 89.4° |
| O1 | C8 | C9 | O2 | 5.6° | 0.6° |
| O1 | C8 | C9 | C10 | 174.6° | 180.0° |
| O1 | C8 | C7 | H4 | 4.3° | 0.5° |
| C8 | C9 | O2 | C10 | 179.8° | 179.4° |
| C8 | C9 | C10 | C | 0.6° | 0.8° |
| C9 | C8 | C7 | H4 | 178.2° | 180.0° |
| C8 | C9 | C10 | H7 | 179.4° | 179.7° |
| C8 | C9 | O2 | H6 | 180.0° | 90.0° |
| C9 | C8 | O1 | H5 | 2.5° | 90.0° |
| O2 | C9 | C10 | C | 179.2° | 179.7° |
| O2 | C9 | C10 | H7 | 0.8° | 0.3° |
| C9 | C10 | C | H7 | 180.0° | 179.5° |
| C10 | C9 | O2 | H6 | 0.2° | 89.4° |
| C10 | C | S | N1 | 74.7° | 15.4° |
| C10 | C | S | O6 | 170.4° | 98.1° |
| S | N1 | C11 | C22 | 140.6° | 179.7° |
| S | N1 | C11 | C12 | 159.5° | 124.8° |
| S | N1 | C22 | C21 | 160.9° | 124.8° |
| S | N1 | C22 | H22 | 40.9° | 5.1° |
| S | N1 | C22 | H23 | 79.2° | 115.2° |
| S | N1 | C11 | H8 | 39.5° | 115.4° |
| S | N1 | C11 | H9 | 80.6° | 5.1° |
| N1 | C11 | C12 | H8 | 119.9° | 119.7° |
| N1 | C11 | C12 | H9 | 119.9° | 119.6° |
| N1 | C11 | C12 | N2 | 57.8° | 49.7° |
| C11 | N1 | C22 | C21 | 58.8° | 55.5° |
| C11 | N1 | S | O6 | 118.7° | 151.7° |
| C11 | N1 | C22 | H22 | 178.8° | 175.2° |
| C11 | N1 | C22 | H23 | 61.1° | 64.4° |
| N1 | C11 | C12 | H10 | 62.1° | 70.1° |
| N1 | C11 | C12 | H11 | 177.7° | 169.4° |
| N1 | C11 | H8 | H9 | 120.2° | 120.4° |
| C11 | C12 | N2 | H10 | 119.9° | 119.9° |
| C11 | C12 | N2 | H11 | 119.9° | 119.8° |
| C11 | C12 | N2 | S1 | 160.7° | 124.6° |
| C11 | C12 | N2 | C21 | 58.8° | 55.4° |
| C12 | C11 | N1 | C22 | 59.9° | 55.6° |
| C11 | C12 | H10 | H11 | 120.3° | 120.6° |
| C12 | C11 | H8 | H9 | 120.2° | 120.7° |
| C12 | N2 | S1 | C21 | 138.8° | 179.9° |
| C12 | N2 | S1 | C13 | 129.6° | 89.9° |
| C12 | N2 | S1 | O4 | 14.4° | 23.6° |
| C12 | N2 | S1 | O5 | 115.3° | 156.5° |
| C12 | N2 | C21 | C22 | 57.8° | 55.2° |
| C12 | N2 | C21 | H20 | 62.2° | 64.5° |
| C12 | N2 | C21 | H21 | 177.7° | 175.0° |
| N2 | C12 | H10 | H11 | 120.3° | 120.2° |
| N2 | C12 | C11 | H8 | 177.7° | 70.1° |
| N2 | C12 | C11 | H9 | 62.2° | 169.3° |
| N2 | S1 | C13 | O4 | 114.5° | 113.5° |
| N2 | S1 | C13 | O5 | 114.4° | 113.6° |
| N2 | S1 | C13 | C14 | 98.3° | 115.0° |
| N2 | S1 | C13 | C20 | 79.3° | 64.8° |
| N2 | S1 | O4 | O5 | 121.7° | 123.0° |
| S1 | N2 | C21 | C22 | 161.7° | 124.7° |
| S1 | N2 | C21 | H20 | 78.4° | 115.5° |
| S1 | N2 | C21 | H21 | 41.7° | 4.9° |
| S1 | N2 | C12 | H10 | 79.4° | 115.5° |
| S1 | N2 | C12 | H11 | 40.7° | 4.8° |
| S1 | C13 | C14 | C20 | 177.6° | 179.8° |
| S1 | C13 | C14 | C15 | 177.4° | 179.9° |
| S1 | C13 | C20 | N5 | 3.2° | 0.0° |
| S1 | C13 | C20 | C19 | 176.4° | 179.9° |
| C13 | S1 | O4 | O5 | 124.1° | 122.9° |
| C13 | S1 | N2 | C21 | 91.6° | 90.0° |
| S1 | C13 | C14 | H12 | 2.7° | 0.0° |
| C13 | C14 | C15 | H12 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.4° | 0.4° |
| C14 | C13 | C20 | N5 | 179.2° | 179.8° |
| C14 | C13 | C20 | C19 | 1.2° | 0.2° |
| C14 | C13 | S1 | O4 | 147.2° | 1.5° |
| C14 | C13 | S1 | O5 | 16.1° | 131.4° |
| C13 | C14 | C15 | H13 | 179.6° | 179.8° |
| C14 | C15 | C16 | H13 | 180.0° | 179.9° |
| C14 | C15 | C16 | N3 | 177.1° | 179.8° |
| C14 | C15 | C16 | C19 | 0.1° | 0.1° |
| C15 | C14 | C13 | C20 | 0.3° | 0.4° |
| C15 | C16 | N3 | C19 | 177.0° | 179.9° |
| C15 | C16 | N3 | C17 | 160.1° | 64.0° |
| C15 | C16 | N3 | C18 | 48.2° | 60.0° |
| C15 | C16 | C19 | N4 | 179.9° | 180.0° |
| C15 | C16 | C19 | C20 | 0.8° | 0.1° |
| C16 | C15 | C14 | H12 | 179.6° | 179.7° |
| C16 | N3 | C17 | C18 | 153.1° | 124.0° |
| N3 | C16 | C19 | N4 | 2.8° | 0.1° |
| N3 | C16 | C19 | C20 | 176.3° | 180.0° |
| C16 | N3 | C18 | H19 | 180.0° | 60.0° |
| C16 | N3 | C18 | H17 | 60.0° | 180.0° |
| C16 | N3 | C18 | H18 | 60.0° | 60.0° |
| C16 | N3 | C17 | H14 | 180.0° | 60.0° |
| C16 | N3 | C17 | H15 | 60.0° | 179.9° |
| C16 | N3 | C17 | H16 | 60.0° | 60.1° |
| N3 | C16 | C15 | H13 | 2.9° | 0.1° |
| C17 | N3 | C16 | C19 | 16.9° | 116.1° |
| C17 | N3 | C18 | H19 | 26.5° | 64.0° |
| C17 | N3 | C18 | H17 | 93.5° | 56.1° |
| C17 | N3 | C18 | H18 | 146.5° | 176.1° |
| N3 | C17 | H14 | H15 | 120.0° | 120.0° |
| N3 | C17 | H14 | H16 | 120.0° | 120.0° |
| N3 | C17 | H15 | H16 | 120.0° | 120.0° |
| C18 | N3 | C16 | C19 | 134.8° | 120.0° |
| N3 | C18 | H19 | H17 | 120.0° | 120.0° |
| N3 | C18 | H19 | H18 | 120.0° | 120.0° |
| N3 | C18 | H17 | H18 | 120.0° | 120.0° |
| C18 | N3 | C17 | H14 | 26.9° | 176.1° |
| C18 | N3 | C17 | H15 | 146.9° | 56.1° |
| C18 | N3 | C17 | H16 | 93.1° | 63.9° |
| C16 | C19 | N4 | C20 | 179.2° | 180.0° |
| C16 | C19 | N4 | O3 | 178.7° | 180.0° |
| C16 | C19 | C20 | N5 | 178.9° | 180.0° |
| C16 | C19 | C20 | C13 | 1.4° | 0.0° |
| C19 | C16 | C15 | H13 | 179.8° | 180.0° |
| C19 | N4 | O3 | N5 | 0.4° | 0.0° |
| N4 | C19 | C20 | N5 | 0.5° | 0.0° |
| N4 | C19 | C20 | C13 | 179.2° | 180.0° |
| N4 | O3 | N5 | C20 | 0.1° | 0.1° |
| O3 | N4 | C19 | C20 | 0.5° | 0.0° |
| O3 | N5 | C20 | C19 | 0.2° | 0.1° |
| O3 | N5 | C20 | C13 | 179.4° | 180.0° |
| N5 | C20 | C19 | C13 | 179.7° | 180.0° |
| C20 | C13 | S1 | O4 | 35.2° | 178.3° |
| C20 | C13 | S1 | O5 | 166.3° | 48.8° |
| C20 | C13 | C14 | H12 | 179.7° | 179.7° |
| O4 | S1 | N2 | C21 | 153.2° | 156.5° |
| O5 | S1 | N2 | C21 | 23.5° | 23.6° |
| N2 | C21 | C22 | H20 | 120.0° | 119.7° |
| N2 | C21 | C22 | H21 | 119.9° | 119.9° |
| N2 | C21 | C22 | N1 | 55.7° | 49.4° |
| N2 | C21 | C22 | H22 | 175.7° | 169.2° |
| N2 | C21 | C22 | H23 | 64.2° | 70.5° |
| N2 | C21 | H20 | H21 | 120.1° | 120.6° |
| C21 | N2 | C12 | H10 | 61.1° | 64.6° |
| C21 | N2 | C12 | H11 | 178.7° | 175.1° |
| C21 | C22 | N1 | H22 | 120.0° | 119.7° |
| C21 | C22 | N1 | H23 | 119.9° | 120.0° |
| C21 | C22 | H22 | H23 | 120.2° | 120.5° |
| C22 | C21 | H20 | H21 | 120.1° | 120.3° |
| C22 | N1 | S | O6 | 19.8° | 28.7° |
| N1 | C22 | H22 | H23 | 120.1° | 120.4° |
| N1 | C22 | C21 | H20 | 64.2° | 70.3° |
| N1 | C22 | C21 | H21 | 175.7° | 169.4° |
| C22 | N1 | C11 | H8 | 179.9° | 64.3° |
| C22 | N1 | C11 | H9 | 60.0° | 175.3° |
| H | C3 | C4 | H1 | 0.2° | 0.0° |
| H1 | C4 | C5 | H2 | 1.7° | 0.1° |
| H22 | C22 | C21 | H20 | 55.7° | 49.5° |
| H22 | C22 | C21 | H21 | 64.4° | 70.9° |
| H23 | C22 | C21 | H20 | 175.8° | 169.8° |
| H23 | C22 | C21 | H21 | 55.7° | 49.5° |
| H19 | C18 | H17 | H18 | 120.0° | 119.9° |
| H14 | C17 | H15 | H16 | 120.0° | 120.0° |
| H13 | C15 | C14 | H12 | 0.4° | 0.1° |
| H10 | C12 | C11 | H8 | 57.8° | 170.1° |
| H10 | C12 | C11 | H9 | 177.9° | 49.5° |
| H11 | C12 | C11 | H8 | 62.4° | 49.6° |
| H11 | C12 | C11 | H9 | 57.8° | 71.0° |
