4J3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | S1 | sing | 1.66Å | 1.56Å | |
| O2 | S1 | doub | 1.42Å | 1.42Å | |
| N2 | O1 | sing | 1.46Å | 1.44Å | |
| O1 | S1 | sing | 1.52Å | 1.58Å | |
| O3 | S1 | doub | 1.42Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 1.01Å | 1.00Å | |
| N2 | H3 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | S1 | O2 | 111.0° | 106.4° |
| N1 | S1 | O1 | 107.9° | 107.2° |
| N1 | S1 | O3 | 110.7° | 106.4° |
| S1 | N1 | H1 | 109.5° | 120.0° |
| S1 | N1 | H2 | 109.4° | 120.0° |
| O2 | S1 | O1 | 105.6° | 106.4° |
| O2 | S1 | O3 | 117.8° | 123.2° |
| N2 | O1 | S1 | 105.3° | 114.0° |
| O1 | N2 | H4 | 109.5° | 111.0° |
| O1 | N2 | H3 | 109.5° | 111.0° |
| O1 | S1 | O3 | 103.0° | 106.4° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H4 | N2 | H3 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | S1 | O2 | O1 | 116.7° | 114.1° |
| N1 | S1 | O2 | O3 | 129.1° | 123.0° |
| N1 | S1 | O1 | N2 | 69.2° | 75.0° |
| N1 | S1 | O1 | O3 | 117.1° | 113.5° |
| S1 | N1 | H1 | H2 | 120.0° | 179.7° |
| O2 | S1 | O1 | N2 | 172.0° | 171.5° |
| O2 | S1 | O1 | O3 | 124.1° | 132.9° |
| O2 | S1 | N1 | H1 | 180.0° | 66.5° |
| O2 | S1 | N1 | H2 | 60.0° | 113.8° |
| N2 | O1 | S1 | O3 | 47.9° | 38.5° |
| O1 | N2 | H4 | H3 | 120.0° | 123.9° |
| O1 | S1 | N1 | H1 | 64.7° | 180.0° |
| O1 | S1 | N1 | H2 | 55.3° | 0.3° |
| S1 | O1 | N2 | H4 | 180.0° | 56.1° |
| S1 | O1 | N2 | H3 | 60.0° | 180.0° |
| O3 | S1 | N1 | H1 | 47.2° | 66.5° |
| O3 | S1 | N1 | H2 | 167.2° | 113.2° |
