GNS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.46Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | S1 | sing | 1.66Å | 1.65Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| S1 | O1S | sing | 1.52Å | 1.44Å | |
| S1 | O2S | doub | 1.42Å | 1.44Å | |
| S1 | O3S | doub | 1.42Å | 1.43Å | |
| O1S | H1S | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 105.2° | 109.4° |
| C2 | C1 | O1 | 110.7° | 109.5° |
| C2 | C1 | H1 | 112.4° | 109.5° |
| C1 | C2 | N2 | 113.6° | 109.5° |
| C1 | C2 | C3 | 109.1° | 109.2° |
| C1 | C2 | H2 | 106.8° | 109.5° |
| O5 | C1 | O1 | 112.0° | 109.5° |
| O5 | C1 | H1 | 111.1° | 109.4° |
| C1 | O5 | C5 | 114.5° | 114.1° |
| O1 | C1 | H1 | 105.6° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| N2 | C2 | C3 | 109.3° | 109.5° |
| N2 | C2 | H2 | 106.7° | 109.5° |
| C2 | N2 | S1 | 113.0° | 120.0° |
| C2 | N2 | HN21 | 108.3° | 120.0° |
| C3 | C2 | H2 | 111.3° | 109.6° |
| C2 | C3 | O3 | 107.3° | 109.6° |
| C2 | C3 | C4 | 109.3° | 109.0° |
| C2 | C3 | H3 | 112.0° | 109.5° |
| S1 | N2 | HN21 | 108.3° | 120.0° |
| N2 | S1 | O1S | 100.6° | 107.2° |
| N2 | S1 | O2S | 103.8° | 106.4° |
| N2 | S1 | O3S | 105.4° | 106.4° |
| O1S | S1 | O2S | 112.6° | 106.4° |
| O1S | S1 | O3S | 115.4° | 106.4° |
| S1 | O1S | H1S | 109.5° | 114.0° |
| O2S | S1 | O3S | 116.6° | 123.2° |
| O3 | C3 | C4 | 112.3° | 109.6° |
| O3 | C3 | H3 | 109.0° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 106.9° | 109.6° |
| C3 | C4 | C5 | 112.3° | 109.2° |
| C3 | C4 | O4 | 113.3° | 109.5° |
| C3 | C4 | H4 | 102.8° | 109.5° |
| C5 | C4 | O4 | 102.0° | 109.5° |
| C5 | C4 | H4 | 113.9° | 109.5° |
| C4 | C5 | O5 | 115.7° | 109.4° |
| C4 | C5 | C6 | 109.8° | 109.5° |
| C4 | C5 | H5 | 105.0° | 109.5° |
| O4 | C4 | H4 | 112.9° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | C6 | 109.9° | 109.5° |
| O5 | C5 | H5 | 104.9° | 109.5° |
| C6 | C5 | H5 | 111.5° | 109.5° |
| C5 | C6 | O6 | 110.2° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| O6 | C6 | H61 | 109.2° | 109.5° |
| O6 | C6 | H62 | 109.2° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | O1 | 120.3° | 120.0° |
| C2 | C1 | O5 | H1 | 121.8° | 120.0° |
| C2 | C1 | O1 | H1 | 121.9° | 120.1° |
| C1 | C2 | N2 | C3 | 122.1° | 119.7° |
| C1 | C2 | N2 | H2 | 117.4° | 120.1° |
| C1 | C2 | C3 | H2 | 117.6° | 120.0° |
| C1 | C2 | N2 | S1 | 96.0° | 95.0° |
| C1 | C2 | N2 | HN21 | 144.0° | 85.0° |
| C1 | C2 | C3 | O3 | 179.1° | 176.9° |
| C1 | C2 | C3 | C4 | 58.9° | 57.0° |
| C1 | C2 | C3 | H3 | 59.5° | 63.0° |
| C2 | C1 | O5 | C5 | 64.2° | 61.2° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| O5 | C1 | O1 | H1 | 121.0° | 120.0° |
| O5 | C1 | C2 | N2 | 169.3° | 177.6° |
| O5 | C1 | C2 | C3 | 68.5° | 57.6° |
| O5 | C1 | C2 | H2 | 52.0° | 62.3° |
| C1 | O5 | C5 | C4 | 51.2° | 61.2° |
| C1 | O5 | C5 | C6 | 176.1° | 178.9° |
| C1 | O5 | C5 | H5 | 64.0° | 58.8° |
| O5 | C1 | O1 | HO1 | 62.9° | 60.1° |
| O1 | C1 | C2 | N2 | 69.5° | 57.5° |
| O1 | C1 | C2 | C3 | 52.8° | 62.4° |
| O1 | C1 | C2 | H2 | 173.2° | 177.7° |
| O1 | C1 | O5 | C5 | 56.1° | 58.8° |
| H1 | C1 | C2 | N2 | 48.3° | 62.5° |
| H1 | C1 | C2 | C3 | 170.6° | 177.6° |
| H1 | C1 | C2 | H2 | 69.0° | 57.6° |
| H1 | C1 | O5 | C5 | 173.9° | 178.8° |
| H1 | C1 | O1 | HO1 | 58.1° | 59.9° |
| N2 | C2 | C3 | H2 | 117.6° | 120.1° |
| C2 | N2 | S1 | HN21 | 120.0° | 180.0° |
| C2 | N2 | S1 | O1S | 173.6° | 65.0° |
| C2 | N2 | S1 | O2S | 69.7° | 178.6° |
| C2 | N2 | S1 | O3S | 53.3° | 48.5° |
| N2 | C2 | C3 | O3 | 54.3° | 63.2° |
| N2 | C2 | C3 | C4 | 176.3° | 176.9° |
| N2 | C2 | C3 | H3 | 65.3° | 56.9° |
| C3 | C2 | N2 | S1 | 141.9° | 145.3° |
| C3 | C2 | N2 | HN21 | 21.9° | 34.7° |
| C2 | C3 | O3 | C4 | 120.1° | 119.6° |
| C2 | C3 | O3 | H3 | 121.5° | 120.2° |
| C2 | C3 | C4 | H3 | 121.5° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 42.8° | 56.9° |
| C2 | C3 | C4 | O4 | 157.7° | 176.9° |
| C2 | C3 | C4 | H4 | 80.1° | 62.9° |
| H2 | C2 | N2 | S1 | 21.4° | 25.1° |
| H2 | C2 | N2 | HN21 | 98.6° | 154.9° |
| H2 | C2 | C3 | O3 | 63.3° | 56.9° |
| H2 | C2 | C3 | C4 | 58.7° | 63.0° |
| H2 | C2 | C3 | H3 | 177.1° | 177.1° |
| N2 | S1 | O1S | O2S | 109.9° | 113.6° |
| N2 | S1 | O1S | O3S | 112.8° | 113.5° |
| N2 | S1 | O2S | O3S | 115.4° | 122.9° |
| N2 | S1 | O1S | H1S | 109.9° | 180.0° |
| HN21 | N2 | S1 | O1S | 53.6° | 115.0° |
| HN21 | N2 | S1 | O2S | 170.3° | 1.4° |
| HN21 | N2 | S1 | O3S | 66.7° | 131.5° |
| O1S | S1 | O2S | O3S | 136.7° | 123.0° |
| O2S | S1 | O1S | H1S | 0.0° | 66.4° |
| O3S | S1 | O1S | H1S | 137.2° | 66.5° |
| O3 | C3 | C4 | H3 | 119.5° | 120.2° |
| O3 | C3 | C4 | C5 | 161.8° | 176.9° |
| O3 | C3 | C4 | O4 | 83.3° | 63.2° |
| O3 | C3 | C4 | H4 | 38.9° | 57.0° |
| C4 | C3 | O3 | HO3 | 59.8° | 60.4° |
| C3 | C4 | C5 | O4 | 121.6° | 119.9° |
| C3 | C4 | C5 | H4 | 116.4° | 119.9° |
| C3 | C4 | O4 | H4 | 116.4° | 120.2° |
| C3 | C4 | C5 | O5 | 38.6° | 57.6° |
| C3 | C4 | C5 | C6 | 163.6° | 177.6° |
| C3 | C4 | C5 | H5 | 76.5° | 62.4° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| H3 | C3 | O3 | HO3 | 58.5° | 59.8° |
| H3 | C3 | C4 | C5 | 78.7° | 62.9° |
| H3 | C3 | C4 | O4 | 36.2° | 57.0° |
| H3 | C3 | C4 | H4 | 158.4° | 177.2° |
| C5 | C4 | O4 | H4 | 122.7° | 120.1° |
| C4 | C5 | O5 | C6 | 124.9° | 120.0° |
| C4 | C5 | O5 | H5 | 115.2° | 120.0° |
| C4 | C5 | C6 | H5 | 115.9° | 120.0° |
| C4 | C5 | C6 | O6 | 67.4° | 175.0° |
| C4 | C5 | C6 | H61 | 172.6° | 55.0° |
| C4 | C5 | C6 | H62 | 52.6° | 65.0° |
| C5 | C4 | O4 | HO4 | 59.1° | 60.3° |
| O4 | C4 | C5 | O5 | 160.2° | 177.5° |
| O4 | C4 | C5 | C6 | 74.9° | 62.5° |
| O4 | C4 | C5 | H5 | 45.1° | 57.5° |
| H4 | C4 | C5 | O5 | 77.8° | 62.3° |
| H4 | C4 | C5 | C6 | 47.2° | 57.7° |
| H4 | C4 | C5 | H5 | 167.1° | 177.7° |
| H4 | C4 | O4 | HO4 | 63.6° | 59.9° |
| O5 | C5 | C6 | H5 | 115.8° | 120.0° |
| O5 | C5 | C6 | O6 | 60.9° | 65.1° |
| O5 | C5 | C6 | H61 | 59.1° | 174.9° |
| O5 | C5 | C6 | H62 | 179.1° | 55.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.1° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 176.7° | 54.9° |
| H5 | C5 | C6 | H61 | 56.7° | 65.0° |
| H5 | C5 | C6 | H62 | 63.3° | 175.0° |
| O6 | C6 | H61 | H62 | 119.7° | 120.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 59.9° |
