GCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.47Å | |
| C1 | O5 | sing | 1.43Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.61Å | |
| C5 | O5 | sing | 1.42Å | 1.48Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 124.9° | 109.5° |
| C2 | C1 | O5 | 112.7° | 109.8° |
| C2 | C1 | H1 | 92.9° | 109.4° |
| C1 | C2 | C3 | 107.6° | 109.2° |
| C1 | C2 | N2 | 110.7° | 109.6° |
| C1 | C2 | H2 | 110.4° | 109.5° |
| O1 | C1 | O5 | 101.7° | 109.4° |
| O1 | C1 | H1 | 105.9° | 109.4° |
| C1 | O1 | HO1 | 124.9° | 106.8° |
| O5 | C1 | H1 | 120.0° | 109.4° |
| C1 | O5 | C5 | 117.6° | 107.7° |
| C3 | C2 | N2 | 111.1° | 109.6° |
| C3 | C2 | H2 | 110.0° | 109.5° |
| C2 | C3 | C4 | 111.1° | 108.7° |
| C2 | C3 | O3 | 109.7° | 109.9° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| N2 | C2 | H2 | 107.0° | 109.5° |
| C2 | N2 | HN21 | 110.6° | 106.7° |
| C2 | N2 | HN22 | 111.7° | 106.7° |
| C4 | C3 | O3 | 110.0° | 109.6° |
| C4 | C3 | H3 | 108.0° | 109.6° |
| C3 | C4 | C5 | 105.3° | 109.1° |
| C3 | C4 | O4 | 89.0° | 109.7° |
| C3 | C4 | H4 | 121.2° | 109.5° |
| O3 | C3 | H3 | 109.6° | 109.5° |
| C3 | O3 | HO3 | 109.7° | 106.9° |
| C5 | C4 | O4 | 101.2° | 109.6° |
| C5 | C4 | H4 | 111.9° | 109.5° |
| C4 | C5 | C6 | 113.9° | 109.4° |
| C4 | C5 | O5 | 103.9° | 109.8° |
| C4 | C5 | H5 | 109.6° | 109.4° |
| O4 | C4 | H4 | 124.4° | 109.5° |
| C4 | O4 | HO4 | 89.0° | 106.8° |
| C6 | C5 | O5 | 107.3° | 109.4° |
| C6 | C5 | H5 | 106.3° | 109.4° |
| C5 | C6 | O6 | 112.5° | 109.6° |
| C5 | C6 | H61 | 111.1° | 109.5° |
| C5 | C6 | H62 | 111.1° | 109.4° |
| O5 | C5 | H5 | 116.0° | 109.4° |
| O6 | C6 | H61 | 111.1° | 109.5° |
| O6 | C6 | H62 | 111.1° | 109.5° |
| C6 | O6 | HO6 | 112.4° | 106.9° |
| H61 | C6 | H62 | 99.2° | 109.4° |
| HN21 | N2 | HN22 | 111.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 128.6° | 120.4° |
| C2 | C1 | O1 | H1 | 105.3° | 119.8° |
| C2 | C1 | O5 | H1 | 107.7° | 120.0° |
| C1 | C2 | C3 | N2 | 121.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.4° | 119.9° |
| C1 | C2 | N2 | H2 | 120.4° | 120.1° |
| C1 | C2 | C3 | C4 | 59.0° | 53.5° |
| C1 | C2 | C3 | O3 | 179.2° | 173.5° |
| C1 | C2 | C3 | H3 | 59.6° | 66.1° |
| C2 | C1 | O5 | C5 | 50.8° | 67.5° |
| C1 | C2 | N2 | HN21 | 180.0° | 60.1° |
| C1 | C2 | N2 | HN22 | 54.8° | 173.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| O1 | C1 | O5 | H1 | 116.2° | 119.8° |
| O1 | C1 | C2 | C3 | 170.7° | 178.8° |
| O1 | C1 | C2 | N2 | 67.7° | 58.7° |
| O1 | C1 | C2 | H2 | 50.6° | 61.4° |
| O1 | C1 | O5 | C5 | 173.2° | 172.3° |
| O5 | C1 | C2 | C3 | 46.7° | 61.1° |
| O5 | C1 | C2 | N2 | 168.3° | 178.9° |
| O5 | C1 | C2 | H2 | 73.4° | 58.8° |
| C1 | O5 | C5 | C4 | 58.8° | 67.5° |
| C1 | O5 | C5 | C6 | 179.8° | 172.3° |
| C1 | O5 | C5 | H5 | 61.5° | 52.5° |
| O5 | C1 | O1 | HO1 | 51.3° | 59.6° |
| H1 | C1 | C2 | C3 | 77.6° | 58.9° |
| H1 | C1 | C2 | N2 | 44.0° | 61.1° |
| H1 | C1 | C2 | H2 | 162.3° | 178.8° |
| H1 | C1 | O5 | C5 | 57.0° | 52.5° |
| H1 | C1 | O1 | HO1 | 74.8° | 60.2° |
| C3 | C2 | N2 | H2 | 120.1° | 120.1° |
| C2 | C3 | C4 | O3 | 121.6° | 120.2° |
| C2 | C3 | C4 | H3 | 118.8° | 119.6° |
| C2 | C3 | O3 | H3 | 118.9° | 120.4° |
| C2 | C3 | C4 | C5 | 70.6° | 53.5° |
| C2 | C3 | C4 | O4 | 171.9° | 173.5° |
| C2 | C3 | C4 | H4 | 57.5° | 66.3° |
| C3 | C2 | N2 | HN21 | 60.5° | 179.8° |
| C3 | C2 | N2 | HN22 | 174.3° | 66.3° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.6° |
| N2 | C2 | C3 | C4 | 179.7° | 173.5° |
| N2 | C2 | C3 | O3 | 57.8° | 66.5° |
| N2 | C2 | C3 | H3 | 61.8° | 53.9° |
| C2 | N2 | HN21 | HN22 | 125.2° | 113.9° |
| H2 | C2 | C3 | C4 | 61.4° | 66.4° |
| H2 | C2 | C3 | O3 | 60.4° | 53.6° |
| H2 | C2 | C3 | H3 | 180.0° | 174.0° |
| H2 | C2 | N2 | HN21 | 59.6° | 60.0° |
| H2 | C2 | N2 | HN22 | 65.6° | 53.8° |
| C4 | C3 | O3 | H3 | 118.6° | 120.3° |
| C3 | C4 | C5 | O4 | 92.1° | 120.1° |
| C3 | C4 | C5 | H4 | 133.5° | 119.8° |
| C3 | C4 | O4 | H4 | 128.1° | 120.1° |
| C3 | C4 | C5 | C6 | 179.1° | 178.7° |
| C3 | C4 | C5 | O5 | 64.5° | 61.1° |
| C3 | C4 | C5 | H5 | 60.2° | 58.9° |
| C4 | C3 | O3 | HO3 | 57.5° | 180.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.6° |
| O3 | C3 | C4 | C5 | 167.8° | 173.7° |
| O3 | C3 | C4 | O4 | 66.5° | 66.3° |
| O3 | C3 | C4 | H4 | 64.1° | 53.9° |
| H3 | C3 | C4 | C5 | 48.2° | 66.1° |
| H3 | C3 | C4 | O4 | 53.1° | 53.9° |
| H3 | C3 | C4 | H4 | 176.3° | 174.1° |
| H3 | C3 | O3 | HO3 | 61.1° | 59.8° |
| C5 | C4 | O4 | H4 | 126.6° | 120.1° |
| C4 | C5 | C6 | O5 | 114.4° | 120.4° |
| C4 | C5 | C6 | H5 | 120.9° | 119.8° |
| C4 | C5 | O5 | H5 | 120.4° | 120.1° |
| C4 | C5 | C6 | O6 | 179.6° | 179.7° |
| C4 | C5 | C6 | H61 | 55.1° | 59.6° |
| C4 | C5 | C6 | H62 | 54.3° | 60.3° |
| C5 | C4 | O4 | HO4 | 74.6° | 59.9° |
| O4 | C4 | C5 | C6 | 87.1° | 58.7° |
| O4 | C4 | C5 | O5 | 156.5° | 178.8° |
| O4 | C4 | C5 | H5 | 31.9° | 61.1° |
| H4 | C4 | C5 | C6 | 47.4° | 61.5° |
| H4 | C4 | C5 | O5 | 69.0° | 58.6° |
| H4 | C4 | C5 | H5 | 166.3° | 178.7° |
| H4 | C4 | O4 | HO4 | 51.9° | 60.2° |
| C6 | C5 | O5 | H5 | 118.7° | 119.8° |
| C5 | C6 | O6 | H61 | 125.3° | 120.1° |
| C5 | C6 | O6 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.0° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 65.2° | 59.9° |
| O5 | C5 | C6 | H61 | 169.5° | 180.0° |
| O5 | C5 | C6 | H62 | 60.0° | 60.1° |
| H5 | C5 | C6 | O6 | 59.5° | 59.9° |
| H5 | C5 | C6 | H61 | 65.8° | 60.2° |
| H5 | C5 | C6 | H62 | 175.2° | 179.9° |
| O6 | C6 | H61 | H62 | 117.0° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
| H62 | C6 | O6 | HO6 | 54.8° | 60.0° |
