A1JBZ
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 | 1.77Å | |
| C | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.39Å | Aromatic |
| N | C3 | sing | 1.39Å | 1.40Å | |
| N | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | N | sing | 1.47Å | 1.47Å | |
| C3 | C9 | sing | 1.46Å | 1.40Å | Aromatic |
| C9 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | O1 | sing | 1.22Å | 1.32Å | Aromatic |
| O1 | N2 | sing | 1.22Å | 1.34Å | Aromatic |
| N2 | C10 | doub | 1.31Å | 1.34Å | Aromatic |
| C10 | C | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.39Å | Aromatic |
| N3 | S | sing | 1.66Å | 1.64Å | |
| N3 | C11 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N4 | sing | 1.47Å | 1.48Å | |
| S1 | N4 | sing | 1.66Å | 1.64Å | |
| C13 | S1 | sing | 1.76Å | 1.76Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | C15 | sing | 1.36Å | 1.36Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| O3 | C16 | sing | 1.36Å | 1.36Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| O5 | S1 | doub | 1.42Å | 1.43Å | |
| N4 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | N3 | sing | 1.47Å | 1.48Å | |
| S | O6 | doub | 1.42Å | 1.43Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | C | 107.8° | 106.4° |
| O | S | N3 | 107.3° | 106.4° |
| O | S | O6 | 120.0° | 123.1° |
| S | C | C1 | 117.7° | 120.0° |
| S | C | C10 | 121.1° | 119.9° |
| C | S | N3 | 105.4° | 107.2° |
| C | S | O6 | 108.4° | 106.4° |
| C | C1 | C2 | 120.1° | 122.7° |
| C1 | C | C10 | 121.1° | 120.1° |
| C | C1 | H | 120.0° | 118.6° |
| C1 | C2 | C3 | 119.8° | 121.7° |
| C2 | C1 | H | 120.0° | 118.6° |
| C1 | C2 | H1 | 120.1° | 119.1° |
| C2 | C3 | N | 124.2° | 120.7° |
| C2 | C3 | C9 | 119.4° | 118.6° |
| C3 | C2 | H1 | 120.1° | 119.2° |
| C3 | N | C4 | 120.3° | 111.0° |
| C3 | N | C8 | 120.9° | 111.0° |
| N | C3 | C9 | 116.3° | 120.7° |
| N | C4 | C5 | 109.4° | 109.5° |
| C4 | N | C8 | 114.0° | 111.2° |
| N | C4 | H2 | 109.5° | 109.5° |
| N | C4 | H3 | 109.5° | 109.5° |
| C4 | C5 | C6 | 111.1° | 109.3° |
| C5 | C4 | H2 | 109.5° | 109.4° |
| C5 | C4 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.1° | 109.5° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C5 | C6 | C7 | 110.3° | 109.2° |
| C6 | C5 | H4 | 109.0° | 109.5° |
| C6 | C5 | H5 | 109.1° | 109.5° |
| C5 | C6 | H6 | 109.3° | 109.5° |
| C5 | C6 | H7 | 109.3° | 109.6° |
| C6 | C7 | C8 | 111.0° | 109.3° |
| C7 | C6 | H6 | 109.2° | 109.5° |
| C7 | C6 | H7 | 109.3° | 109.5° |
| C6 | C7 | H9 | 109.1° | 109.5° |
| C6 | C7 | H8 | 109.1° | 109.6° |
| C7 | C8 | N | 111.0° | 109.5° |
| C8 | C7 | H9 | 109.1° | 109.5° |
| C8 | C7 | H8 | 109.1° | 109.5° |
| C7 | C8 | H11 | 109.1° | 109.5° |
| C7 | C8 | H10 | 109.1° | 109.4° |
| N | C8 | H11 | 109.1° | 109.5° |
| N | C8 | H10 | 109.1° | 109.5° |
| C3 | C9 | N1 | 132.9° | 138.8° |
| C3 | C9 | C10 | 121.2° | 118.2° |
| C9 | N1 | O1 | 108.0° | 109.1° |
| N1 | C9 | C10 | 105.7° | 102.9° |
| N1 | O1 | N2 | 111.5° | 116.3° |
| O1 | N2 | C10 | 105.7° | 109.1° |
| N2 | C10 | C | 133.3° | 138.8° |
| N2 | C10 | C9 | 109.1° | 102.6° |
| C | C10 | C9 | 117.5° | 118.6° |
| S | N3 | C11 | 115.9° | 120.6° |
| S | N3 | C20 | 117.3° | 120.6° |
| N3 | S | O6 | 107.0° | 106.4° |
| N3 | C11 | C12 | 109.8° | 108.7° |
| C11 | N3 | C20 | 113.0° | 118.8° |
| N3 | C11 | H12 | 109.4° | 109.6° |
| N3 | C11 | H13 | 109.4° | 109.7° |
| C11 | C12 | N4 | 109.4° | 108.6° |
| C12 | C11 | H12 | 109.4° | 109.6° |
| C12 | C11 | H13 | 109.4° | 109.6° |
| C11 | C12 | H14 | 109.5° | 109.6° |
| C11 | C12 | H15 | 109.5° | 109.6° |
| C12 | N4 | S1 | 116.9° | 120.6° |
| C12 | N4 | C19 | 112.5° | 118.8° |
| N4 | C12 | H14 | 109.5° | 109.6° |
| N4 | C12 | H15 | 109.5° | 109.6° |
| N4 | S1 | C13 | 106.6° | 107.2° |
| N4 | S1 | O4 | 106.7° | 106.4° |
| N4 | S1 | O5 | 106.7° | 106.4° |
| S1 | N4 | C19 | 118.2° | 120.6° |
| S1 | C13 | C14 | 118.9° | 119.9° |
| S1 | C13 | C18 | 119.7° | 119.9° |
| C13 | S1 | O4 | 108.1° | 106.4° |
| C13 | S1 | O5 | 108.1° | 106.4° |
| C13 | C14 | C15 | 119.3° | 120.0° |
| C14 | C13 | C18 | 121.2° | 120.2° |
| C13 | C14 | H16 | 120.4° | 120.0° |
| C14 | C15 | O2 | 117.6° | 120.1° |
| C14 | C15 | C16 | 120.2° | 119.8° |
| C15 | C14 | H16 | 120.4° | 120.0° |
| O2 | C15 | C16 | 122.0° | 120.1° |
| C15 | O2 | H17 | 109.5° | 114.0° |
| C15 | C16 | O3 | 120.6° | 120.0° |
| C15 | C16 | C17 | 119.5° | 119.9° |
| O3 | C16 | C17 | 119.8° | 120.1° |
| C16 | O3 | H18 | 109.5° | 114.0° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C16 | C17 | H19 | 119.8° | 120.0° |
| C17 | C18 | C13 | 119.4° | 120.1° |
| C18 | C17 | H19 | 119.8° | 120.0° |
| C17 | C18 | H20 | 120.3° | 119.9° |
| C13 | C18 | H20 | 120.3° | 119.9° |
| O4 | S1 | O5 | 119.9° | 123.2° |
| N4 | C19 | C20 | 109.2° | 108.6° |
| N4 | C19 | H21 | 109.6° | 109.6° |
| N4 | C19 | H22 | 109.5° | 109.8° |
| C19 | C20 | N3 | 109.4° | 108.6° |
| C20 | C19 | H21 | 109.6° | 109.6° |
| C20 | C19 | H22 | 109.5° | 109.6° |
| C19 | C20 | H23 | 109.5° | 109.6° |
| C19 | C20 | H24 | 109.5° | 109.6° |
| N3 | C20 | H23 | 109.5° | 109.6° |
| N3 | C20 | H24 | 109.5° | 109.6° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.6° |
| H6 | C6 | H7 | 109.5° | 109.6° |
| H9 | C7 | H8 | 109.5° | 109.5° |
| H11 | C8 | H10 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.7° |
| H21 | C19 | H22 | 109.4° | 109.7° |
| H23 | C20 | H24 | 109.5° | 109.8° |
| H14 | C12 | H15 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | C | N3 | 114.4° | 113.5° |
| O | S | C | O6 | 131.3° | 132.9° |
| O | S | C | C1 | 156.5° | 2.1° |
| O | S | C | C10 | 27.9° | 178.6° |
| O | S | N3 | O6 | 130.0° | 132.9° |
| O | S | N3 | C11 | 137.0° | 156.5° |
| O | S | N3 | C20 | 0.7° | 23.6° |
| S | C | C1 | C10 | 175.6° | 179.3° |
| S | C | C1 | C2 | 178.6° | 179.4° |
| S | C | C10 | N2 | 2.7° | 0.1° |
| S | C | C10 | C9 | 174.1° | 180.0° |
| C | S | N3 | O6 | 115.3° | 113.6° |
| C | S | N3 | C11 | 108.3° | 90.0° |
| C | S | N3 | C20 | 114.0° | 89.9° |
| S | C | C1 | H | 1.4° | 0.3° |
| C | C1 | C2 | H | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 2.4° | 0.3° |
| C1 | C | C10 | N2 | 172.7° | 179.5° |
| C1 | C | C10 | C9 | 10.4° | 0.6° |
| C1 | C | S | N3 | 89.1° | 115.6° |
| C1 | C | S | O6 | 25.2° | 130.8° |
| C | C1 | C2 | H1 | 177.6° | 179.8° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | N | 170.5° | 180.0° |
| C1 | C2 | C3 | C9 | 5.5° | 0.1° |
| C2 | C1 | C | C10 | 5.8° | 0.1° |
| C2 | C3 | N | C9 | 176.1° | 180.0° |
| C2 | C3 | N | C4 | 122.9° | 64.2° |
| C2 | C3 | N | C8 | 31.2° | 60.0° |
| C2 | C3 | C9 | N1 | 173.7° | 179.9° |
| C2 | C3 | C9 | C10 | 0.6° | 0.5° |
| C3 | C2 | C1 | H | 177.6° | 180.0° |
| C3 | N | C4 | C8 | 155.8° | 124.1° |
| C3 | N | C4 | C5 | 98.3° | 174.1° |
| C3 | N | C8 | C7 | 99.8° | 174.2° |
| N | C3 | C9 | N1 | 10.0° | 0.1° |
| N | C3 | C9 | C10 | 175.7° | 179.5° |
| N | C3 | C2 | H1 | 9.6° | 0.0° |
| C3 | N | C4 | H2 | 141.8° | 65.9° |
| C3 | N | C4 | H3 | 21.7° | 54.1° |
| C3 | N | C8 | H11 | 139.9° | 54.2° |
| C3 | N | C8 | H10 | 20.4° | 65.9° |
| N | C4 | C5 | H2 | 120.0° | 120.0° |
| N | C4 | C5 | H3 | 120.0° | 120.0° |
| N | C4 | C5 | C6 | 57.1° | 59.2° |
| C4 | N | C8 | C7 | 55.8° | 61.8° |
| C4 | N | C3 | C9 | 61.0° | 115.8° |
| N | C4 | H2 | H3 | 120.1° | 120.0° |
| N | C4 | C5 | H4 | 177.3° | 60.8° |
| N | C4 | C5 | H5 | 63.2° | 179.1° |
| C4 | N | C8 | H11 | 64.4° | 178.2° |
| C4 | N | C8 | H10 | 176.0° | 58.2° |
| C4 | C5 | C6 | H4 | 120.2° | 119.9° |
| C4 | C5 | C6 | H5 | 120.2° | 119.9° |
| C4 | C5 | C6 | C7 | 56.5° | 57.7° |
| C5 | C4 | N | C8 | 57.5° | 61.8° |
| C5 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C5 | H4 | H5 | 119.3° | 120.1° |
| C4 | C5 | C6 | H6 | 63.6° | 177.6° |
| C4 | C5 | C6 | H7 | 176.7° | 62.2° |
| C5 | C6 | C7 | H6 | 120.1° | 119.9° |
| C5 | C6 | C7 | H7 | 120.2° | 120.0° |
| C5 | C6 | C7 | C8 | 53.9° | 57.7° |
| C6 | C5 | C4 | H2 | 62.9° | 60.8° |
| C6 | C5 | C4 | H3 | 177.1° | 179.2° |
| C6 | C5 | H4 | H5 | 119.3° | 120.1° |
| C5 | C6 | H6 | H7 | 119.6° | 120.2° |
| C5 | C6 | C7 | H9 | 174.1° | 62.2° |
| C5 | C6 | C7 | H8 | 66.3° | 177.6° |
| C6 | C7 | C8 | H9 | 120.2° | 119.9° |
| C6 | C7 | C8 | H8 | 120.2° | 120.0° |
| C6 | C7 | C8 | N | 53.0° | 59.2° |
| C7 | C6 | C5 | H4 | 176.8° | 62.2° |
| C7 | C6 | C5 | H5 | 63.7° | 177.6° |
| C7 | C6 | H6 | H7 | 119.6° | 120.1° |
| C6 | C7 | H9 | H8 | 119.3° | 120.2° |
| C6 | C7 | C8 | H11 | 67.3° | 179.2° |
| C6 | C7 | C8 | H10 | 173.2° | 60.8° |
| C7 | C8 | N | H11 | 120.3° | 120.0° |
| C7 | C8 | N | H10 | 120.2° | 120.0° |
| C8 | C7 | C6 | H6 | 66.3° | 177.5° |
| C8 | C7 | C6 | H7 | 174.0° | 62.3° |
| C8 | C7 | H9 | H8 | 119.3° | 120.1° |
| C7 | C8 | H11 | H10 | 119.3° | 119.9° |
| C8 | N | C3 | C9 | 144.9° | 120.0° |
| C8 | N | C4 | H2 | 62.4° | 58.2° |
| C8 | N | C4 | H3 | 177.5° | 178.2° |
| N | C8 | C7 | H9 | 173.2° | 60.8° |
| N | C8 | C7 | H8 | 67.2° | 179.2° |
| N | C8 | H11 | H10 | 119.3° | 120.0° |
| C3 | C9 | N1 | C10 | 175.0° | 179.7° |
| C3 | C9 | N1 | O1 | 174.5° | 178.9° |
| C3 | C9 | C10 | N2 | 175.2° | 179.3° |
| C3 | C9 | C10 | C | 7.2° | 0.8° |
| C9 | C3 | C2 | H1 | 174.5° | 180.0° |
| C9 | N1 | O1 | N2 | 0.3° | 0.8° |
| N1 | C9 | C10 | N2 | 0.5° | 0.5° |
| N1 | C9 | C10 | C | 177.1° | 179.5° |
| N1 | O1 | N2 | C10 | 0.0° | 0.4° |
| O1 | N1 | C9 | C10 | 0.4° | 0.7° |
| O1 | N2 | C10 | C | 176.8° | 179.9° |
| O1 | N2 | C10 | C9 | 0.3° | 0.1° |
| N2 | C10 | C | C9 | 176.9° | 179.9° |
| C10 | C | S | N3 | 86.5° | 65.1° |
| C10 | C | S | O6 | 159.2° | 48.5° |
| C10 | C | C1 | H | 174.2° | 179.7° |
| S | N3 | C11 | C20 | 139.5° | 179.9° |
| S | N3 | C11 | C12 | 163.4° | 124.7° |
| S | N3 | C20 | C19 | 164.0° | 124.7° |
| S | N3 | C11 | H12 | 76.5° | 5.0° |
| S | N3 | C11 | H13 | 43.3° | 115.5° |
| S | N3 | C20 | H23 | 76.0° | 5.0° |
| S | N3 | C20 | H24 | 44.0° | 115.6° |
| N3 | C11 | C12 | H12 | 120.1° | 119.7° |
| N3 | C11 | C12 | H13 | 120.1° | 119.9° |
| N3 | C11 | C12 | N4 | 55.9° | 49.4° |
| C11 | N3 | C20 | C19 | 57.1° | 55.2° |
| C11 | N3 | S | O6 | 7.0° | 23.6° |
| N3 | C11 | H12 | H13 | 119.9° | 120.5° |
| C11 | N3 | C20 | H23 | 62.8° | 174.9° |
| C11 | N3 | C20 | H24 | 177.1° | 64.5° |
| N3 | C11 | C12 | H14 | 175.9° | 70.3° |
| N3 | C11 | C12 | H15 | 64.1° | 169.2° |
| C11 | C12 | N4 | H14 | 120.0° | 119.7° |
| C11 | C12 | N4 | H15 | 120.0° | 119.8° |
| C11 | C12 | N4 | S1 | 159.7° | 124.8° |
| C11 | C12 | N4 | C19 | 58.7° | 55.2° |
| C12 | C11 | N3 | C20 | 57.1° | 55.2° |
| C12 | C11 | H12 | H13 | 119.8° | 120.3° |
| C11 | C12 | H14 | H15 | 120.1° | 120.5° |
| C12 | N4 | S1 | C19 | 139.3° | 180.0° |
| C12 | N4 | S1 | C13 | 102.2° | 90.0° |
| C12 | N4 | S1 | O4 | 13.1° | 156.4° |
| C12 | N4 | S1 | O5 | 142.4° | 23.5° |
| C12 | N4 | C19 | C20 | 58.8° | 55.2° |
| N4 | C12 | C11 | H12 | 64.2° | 169.1° |
| N4 | C12 | C11 | H13 | 176.0° | 70.5° |
| C12 | N4 | C19 | H21 | 178.8° | 174.9° |
| C12 | N4 | C19 | H22 | 61.1° | 64.6° |
| N4 | C12 | H14 | H15 | 120.0° | 120.4° |
| N4 | S1 | C13 | O4 | 114.4° | 113.6° |
| N4 | S1 | C13 | O5 | 114.4° | 113.5° |
| N4 | S1 | C13 | C14 | 88.3° | 90.0° |
| N4 | S1 | C13 | C18 | 86.5° | 89.7° |
| N4 | S1 | O4 | O5 | 121.3° | 122.9° |
| S1 | N4 | C19 | C20 | 160.2° | 124.8° |
| S1 | N4 | C19 | H21 | 40.2° | 5.1° |
| S1 | N4 | C19 | H22 | 79.8° | 115.4° |
| S1 | N4 | C12 | H14 | 39.8° | 115.5° |
| S1 | N4 | C12 | H15 | 80.3° | 5.0° |
| S1 | C13 | C14 | C18 | 174.6° | 179.7° |
| S1 | C13 | C14 | C15 | 173.5° | 180.0° |
| S1 | C13 | C18 | C17 | 172.6° | 180.0° |
| C13 | S1 | O4 | O5 | 124.4° | 123.0° |
| C13 | S1 | N4 | C19 | 118.5° | 90.0° |
| S1 | C13 | C14 | H16 | 6.5° | 0.1° |
| S1 | C13 | C18 | H20 | 7.4° | 0.0° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C13 | C14 | C15 | O2 | 174.5° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.1° |
| C14 | C13 | C18 | C17 | 2.0° | 0.3° |
| C14 | C13 | S1 | O4 | 157.4° | 156.5° |
| C14 | C13 | S1 | O5 | 26.2° | 23.6° |
| C14 | C13 | C18 | H20 | 178.0° | 179.7° |
| C14 | C15 | O2 | C16 | 175.3° | 179.9° |
| C14 | C15 | C16 | O3 | 178.2° | 179.9° |
| C14 | C15 | C16 | C17 | 1.9° | 0.2° |
| C15 | C14 | C13 | C18 | 1.1° | 0.4° |
| C14 | C15 | O2 | H17 | 180.0° | 90.1° |
| O2 | C15 | C16 | O3 | 6.6° | 0.0° |
| O2 | C15 | C16 | C17 | 173.3° | 179.7° |
| O2 | C15 | C14 | H16 | 5.5° | 0.1° |
| C15 | C16 | O3 | C17 | 179.9° | 179.8° |
| C15 | C16 | C17 | C18 | 1.0° | 0.2° |
| C16 | C15 | C14 | H16 | 179.2° | 180.0° |
| C15 | C16 | C17 | H19 | 179.0° | 179.8° |
| C15 | C16 | O3 | H18 | 180.0° | 89.8° |
| C16 | C15 | O2 | H17 | 4.7° | 90.0° |
| O3 | C16 | C17 | C18 | 179.1° | 179.9° |
| O3 | C16 | C17 | H19 | 0.9° | 0.0° |
| C16 | C17 | C18 | H19 | 180.0° | 179.9° |
| C16 | C17 | C18 | C13 | 0.9° | 0.1° |
| C16 | C17 | C18 | H20 | 179.1° | 180.0° |
| C17 | C16 | O3 | H18 | 0.1° | 90.0° |
| C17 | C18 | C13 | H20 | 180.0° | 180.0° |
| C18 | C13 | S1 | O4 | 27.9° | 23.9° |
| C18 | C13 | S1 | O5 | 159.1° | 156.8° |
| C18 | C13 | C14 | H16 | 178.9° | 179.7° |
| C13 | C18 | C17 | H19 | 179.1° | 180.0° |
| O4 | S1 | N4 | C19 | 126.2° | 23.6° |
| O5 | S1 | N4 | C19 | 3.1° | 156.5° |
| N4 | C19 | C20 | H21 | 120.0° | 119.7° |
| N4 | C19 | C20 | H22 | 120.0° | 119.9° |
| N4 | C19 | C20 | N3 | 56.1° | 49.4° |
| N4 | C19 | H21 | H22 | 120.1° | 120.6° |
| N4 | C19 | C20 | H23 | 63.9° | 169.2° |
| N4 | C19 | C20 | H24 | 176.1° | 70.3° |
| C19 | N4 | C12 | H14 | 178.7° | 64.5° |
| C19 | N4 | C12 | H15 | 61.3° | 175.0° |
| C19 | C20 | N3 | H23 | 120.0° | 119.7° |
| C19 | C20 | N3 | H24 | 120.0° | 119.7° |
| C20 | C19 | H21 | H22 | 120.1° | 120.3° |
| C19 | C20 | H23 | H24 | 120.0° | 120.4° |
| C20 | N3 | S | O6 | 130.7° | 156.5° |
| C20 | N3 | C11 | H12 | 62.9° | 174.9° |
| C20 | N3 | C11 | H13 | 177.2° | 64.6° |
| N3 | C20 | C19 | H21 | 176.1° | 169.1° |
| N3 | C20 | C19 | H22 | 63.8° | 70.5° |
| N3 | C20 | H23 | H24 | 120.1° | 120.5° |
| H | C1 | C2 | H1 | 2.4° | 0.0° |
| H2 | C4 | C5 | H4 | 57.3° | 179.3° |
| H2 | C4 | C5 | H5 | 176.8° | 59.1° |
| H3 | C4 | C5 | H4 | 62.7° | 59.3° |
| H3 | C4 | C5 | H5 | 56.8° | 60.9° |
| H4 | C5 | C6 | H6 | 56.6° | 57.7° |
| H4 | C5 | C6 | H7 | 63.1° | 177.9° |
| H5 | C5 | C6 | H6 | 176.2° | 62.5° |
| H5 | C5 | C6 | H7 | 56.5° | 57.7° |
| H6 | C6 | C7 | H9 | 54.0° | 57.7° |
| H6 | C6 | C7 | H8 | 173.5° | 62.5° |
| H7 | C6 | C7 | H9 | 65.7° | 177.8° |
| H7 | C6 | C7 | H8 | 53.8° | 57.7° |
| H9 | C7 | C8 | H11 | 53.0° | 59.2° |
| H9 | C7 | C8 | H10 | 66.6° | 179.2° |
| H8 | C7 | C8 | H11 | 172.5° | 60.9° |
| H8 | C7 | C8 | H10 | 53.0° | 59.1° |
| H12 | C11 | C12 | H14 | 55.8° | 49.4° |
| H12 | C11 | C12 | H15 | 175.8° | 71.1° |
| H13 | C11 | C12 | H14 | 64.0° | 169.8° |
| H13 | C11 | C12 | H15 | 56.0° | 49.3° |
| H19 | C17 | C18 | H20 | 0.9° | 0.0° |
| H21 | C19 | C20 | H23 | 56.1° | 71.1° |
| H21 | C19 | C20 | H24 | 63.9° | 49.4° |
| H22 | C19 | C20 | H23 | 176.2° | 49.3° |
| H22 | C19 | C20 | H24 | 56.1° | 169.8° |
