A1A32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | S | sing | 1.81Å | 1.77Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| N | S | sing | 1.66Å | 1.59Å | |
| C3 | C1 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 111.8° | 109.5° |
| C | C1 | C3 | 111.8° | 109.5° |
| C | C1 | H3 | 108.3° | 109.5° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C2 | S | 109.3° | 109.5° |
| C2 | C1 | C3 | 108.4° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C2 | C1 | H3 | 108.0° | 109.4° |
| C2 | S | O | 108.9° | 110.5° |
| C2 | S | O1 | 107.5° | 110.6° |
| C2 | S | N | 103.6° | 104.4° |
| S | C2 | H5 | 109.5° | 109.5° |
| S | C2 | H4 | 109.5° | 109.5° |
| O | S | O1 | 119.1° | 121.0° |
| O | S | N | 107.9° | 104.3° |
| O1 | S | N | 108.8° | 104.3° |
| S | N | H7 | 109.5° | 120.0° |
| S | N | H6 | 109.5° | 120.0° |
| C1 | C3 | C4 | 120.8° | 120.0° |
| C1 | C3 | C8 | 120.3° | 120.0° |
| C3 | C1 | H3 | 108.4° | 109.5° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C4 | C3 | C8 | 118.7° | 120.0° |
| C3 | C4 | H8 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | H8 | 119.7° | 120.0° |
| C4 | C5 | H9 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.7° | 120.0° |
| C6 | C5 | H9 | 119.9° | 120.1° |
| C5 | C6 | H10 | 120.1° | 120.0° |
| C6 | C7 | C8 | 120.1° | 120.0° |
| C7 | C6 | H10 | 120.1° | 119.9° |
| C6 | C7 | H11 | 120.0° | 120.0° |
| C7 | C8 | C3 | 120.6° | 120.0° |
| C8 | C7 | H11 | 120.0° | 120.0° |
| C7 | C8 | H12 | 119.7° | 120.0° |
| C3 | C8 | H12 | 119.7° | 120.0° |
| H7 | N | H6 | 109.4° | 120.0° |
| H5 | C2 | H4 | 109.4° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H2 | C | H | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 123.6° | 120.0° |
| C | C1 | C2 | H3 | 119.1° | 120.0° |
| C | C1 | C2 | S | 163.8° | 65.0° |
| C | C1 | C3 | H3 | 119.3° | 120.0° |
| C | C1 | C3 | C4 | 66.3° | 60.5° |
| C | C1 | C3 | C8 | 118.7° | 120.0° |
| C | C1 | C2 | H5 | 43.8° | 175.0° |
| C | C1 | C2 | H4 | 76.2° | 55.0° |
| C1 | C | H1 | H2 | 120.0° | 119.9° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | C2 | S | H5 | 120.0° | 120.0° |
| C1 | C2 | S | H4 | 120.0° | 120.0° |
| C1 | C2 | S | O | 33.6° | 68.4° |
| C1 | C2 | S | O1 | 163.8° | 68.4° |
| C1 | C2 | S | N | 81.1° | 180.0° |
| C2 | C1 | C3 | H3 | 117.0° | 120.0° |
| C2 | C1 | C3 | C4 | 57.3° | 59.5° |
| C2 | C1 | C3 | C8 | 117.7° | 120.0° |
| C1 | C2 | H5 | H4 | 120.1° | 120.0° |
| C2 | C1 | C | H1 | 180.0° | 60.0° |
| C2 | C1 | C | H2 | 60.0° | 179.9° |
| C2 | C1 | C | H | 60.0° | 60.0° |
| C2 | S | O | O1 | 123.6° | 131.5° |
| C2 | S | O | N | 111.8° | 111.7° |
| C2 | S | O1 | N | 111.6° | 111.7° |
| S | C2 | C1 | C3 | 72.6° | 175.0° |
| C2 | S | N | H7 | 180.0° | 120.0° |
| C2 | S | N | H6 | 60.0° | 60.0° |
| S | C2 | H5 | H4 | 120.1° | 120.0° |
| S | C2 | C1 | H3 | 44.7° | 55.0° |
| O | S | O1 | N | 124.2° | 116.8° |
| O | S | N | H7 | 64.6° | 123.9° |
| O | S | N | H6 | 175.4° | 56.0° |
| O | S | C2 | H5 | 86.4° | 51.7° |
| O | S | C2 | H4 | 153.6° | 171.6° |
| O1 | S | N | H7 | 65.9° | 3.9° |
| O1 | S | N | H6 | 54.1° | 176.1° |
| O1 | S | C2 | H5 | 43.8° | 171.6° |
| O1 | S | C2 | H4 | 76.2° | 51.6° |
| S | N | H7 | H6 | 120.0° | 180.0° |
| N | S | C2 | H5 | 158.9° | 60.0° |
| N | S | C2 | H4 | 38.9° | 60.0° |
| C1 | C3 | C4 | C8 | 175.1° | 179.5° |
| C1 | C3 | C4 | C5 | 174.2° | 179.9° |
| C1 | C3 | C8 | C7 | 174.5° | 180.0° |
| C1 | C3 | C4 | H8 | 5.7° | 0.3° |
| C1 | C3 | C8 | H12 | 5.5° | 0.1° |
| C3 | C1 | C2 | H5 | 167.4° | 55.0° |
| C3 | C1 | C2 | H4 | 47.4° | 65.0° |
| C3 | C1 | C | H1 | 58.3° | 180.0° |
| C3 | C1 | C | H2 | 61.7° | 60.1° |
| C3 | C1 | C | H | 178.3° | 60.0° |
| C3 | C4 | C5 | H8 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.8° | 0.3° |
| C4 | C3 | C8 | C7 | 0.6° | 0.4° |
| C3 | C4 | C5 | H9 | 179.2° | 179.7° |
| C4 | C3 | C8 | H12 | 179.4° | 179.7° |
| C4 | C3 | C1 | H3 | 174.3° | 179.5° |
| C4 | C5 | C6 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.0° |
| C5 | C4 | C3 | C8 | 0.8° | 0.5° |
| C4 | C5 | C6 | H10 | 179.4° | 180.0° |
| C5 | C6 | C7 | H10 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C6 | C5 | C4 | H8 | 179.2° | 180.0° |
| C5 | C6 | C7 | H11 | 179.7° | 180.0° |
| C6 | C7 | C8 | H11 | 180.0° | 179.9° |
| C6 | C7 | C8 | C3 | 0.3° | 0.1° |
| C7 | C6 | C5 | H9 | 179.4° | 180.0° |
| C6 | C7 | C8 | H12 | 179.7° | 180.0° |
| C7 | C8 | C3 | H12 | 180.0° | 179.9° |
| C8 | C7 | C6 | H10 | 179.7° | 179.9° |
| C8 | C3 | C4 | H8 | 179.2° | 179.8° |
| C3 | C8 | C7 | H11 | 179.7° | 179.8° |
| C8 | C3 | C1 | H3 | 0.7° | 0.0° |
| H8 | C4 | C5 | H9 | 0.8° | 0.0° |
| H9 | C5 | C6 | H10 | 0.6° | 0.0° |
| H10 | C6 | C7 | H11 | 0.3° | 0.0° |
| H11 | C7 | C8 | H12 | 0.3° | 0.1° |
| H5 | C2 | C1 | H3 | 75.3° | 65.1° |
| H4 | C2 | C1 | H3 | 164.7° | 174.9° |
| H3 | C1 | C | H1 | 61.1° | 60.0° |
| H3 | C1 | C | H2 | 178.9° | 60.0° |
| H3 | C1 | C | H | 58.9° | 179.9° |
| H1 | C | H2 | H | 120.0° | 120.0° |
