A1INF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | S1 | doub | 1.42Å | 1.50Å | |
| S1 | O2 | doub | 1.42Å | 1.42Å | |
| S1 | N2 | sing | 1.66Å | 1.61Å | |
| S1 | O3 | sing | 1.52Å | 1.42Å | |
| N2 | P1 | sing | 1.81Å | 1.62Å | |
| P1 | N1 | sing | 1.81Å | 1.64Å | |
| P1 | O1 | doub | 1.57Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | S1 | O2 | 112.4° | 123.2° |
| O4 | S1 | N2 | 102.7° | 106.4° |
| O4 | S1 | O3 | 109.5° | 106.4° |
| O2 | S1 | N2 | 106.6° | 106.4° |
| O2 | S1 | O3 | 119.7° | 106.4° |
| N2 | S1 | O3 | 104.1° | 107.2° |
| S1 | N2 | P1 | 123.5° | 120.0° |
| S1 | N2 | H4 | 105.9° | 120.0° |
| S1 | O3 | H5 | 109.5° | 114.0° |
| N2 | P1 | N1 | 111.5° | 120.0° |
| N2 | P1 | O1 | 114.4° | 120.0° |
| P1 | N2 | H4 | 105.8° | 120.0° |
| N1 | P1 | O1 | 108.0° | 120.0° |
| P1 | N1 | H1 | 109.5° | 120.0° |
| P1 | N1 | H2 | 109.5° | 120.0° |
| H1 | N1 | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | S1 | O2 | N2 | 111.8° | 122.9° |
| O4 | S1 | O2 | O3 | 130.7° | 122.9° |
| O4 | S1 | N2 | O3 | 114.2° | 113.5° |
| O4 | S1 | N2 | P1 | 177.4° | 178.5° |
| O4 | S1 | N2 | H4 | 60.7° | 1.4° |
| O4 | S1 | O3 | H5 | 0.0° | 66.5° |
| O2 | S1 | N2 | O3 | 127.4° | 113.6° |
| O2 | S1 | N2 | P1 | 59.0° | 48.5° |
| O2 | S1 | N2 | H4 | 179.1° | 131.5° |
| O2 | S1 | O3 | H5 | 131.9° | 66.4° |
| S1 | N2 | P1 | H4 | 121.9° | 180.0° |
| S1 | N2 | P1 | N1 | 47.3° | 125.0° |
| S1 | N2 | P1 | O1 | 75.6° | 55.0° |
| N2 | S1 | O3 | H5 | 109.3° | 180.0° |
| O3 | S1 | N2 | P1 | 68.4° | 65.0° |
| O3 | S1 | N2 | H4 | 53.5° | 114.9° |
| N2 | P1 | N1 | O1 | 126.4° | 180.0° |
| N2 | P1 | N1 | H1 | 126.4° | 30.0° |
| N2 | P1 | N1 | H2 | 113.6° | 149.7° |
| P1 | N1 | H1 | H2 | 120.0° | 179.8° |
| N1 | P1 | N2 | H4 | 169.2° | 55.0° |
| O1 | P1 | N1 | H1 | 0.0° | 149.9° |
| O1 | P1 | N1 | H2 | 120.0° | 30.3° |
| O1 | P1 | N2 | H4 | 46.4° | 125.0° |
