GL4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | O5 | sing | 1.42Å | 1.44Å | |
| C1 | N2 | sing | 1.47Å | 1.49Å | |
| C1 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| N2 | C8 | sing | 1.35Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C8 | S8 | doub | 1.71Å | 1.68Å | |
| C8 | N1 | sing | 1.34Å | 1.34Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 113.4° | 111.2° |
| C2 | C1 | N2 | 106.1° | 110.2° |
| C2 | C1 | C7 | 113.5° | 110.2° |
| C1 | C2 | O2 | 110.8° | 109.6° |
| C1 | C2 | C3 | 110.3° | 109.1° |
| C1 | C2 | H2 | 107.8° | 109.5° |
| O5 | C1 | N2 | 111.5° | 110.6° |
| O5 | C1 | C7 | 112.8° | 110.5° |
| C1 | O5 | C5 | 116.7° | 107.9° |
| N2 | C1 | C7 | 98.3° | 104.0° |
| C1 | N2 | C8 | 107.8° | 106.5° |
| C1 | N2 | HN2 | 112.8° | 126.7° |
| C1 | C7 | N1 | 113.0° | 105.5° |
| C1 | C7 | O7 | 126.7° | 127.3° |
| O2 | C2 | C3 | 108.8° | 109.6° |
| O2 | C2 | H2 | 109.3° | 109.5° |
| C2 | O2 | HO2 | 110.8° | 106.8° |
| C3 | C2 | H2 | 109.8° | 109.5° |
| C2 | C3 | O3 | 107.8° | 109.7° |
| C2 | C3 | C4 | 110.8° | 108.6° |
| C2 | C3 | H3 | 109.9° | 109.5° |
| O3 | C3 | C4 | 109.8° | 109.8° |
| O3 | C3 | H3 | 110.7° | 109.6° |
| C3 | O3 | HO3 | 107.9° | 106.8° |
| C4 | C3 | H3 | 107.8° | 109.7° |
| C3 | C4 | O4 | 109.8° | 109.5° |
| C3 | C4 | C5 | 110.4° | 109.0° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| O4 | C4 | C5 | 110.0° | 109.6° |
| O4 | C4 | H4 | 109.2° | 109.5° |
| C4 | O4 | HO4 | 109.9° | 106.8° |
| C5 | C4 | H4 | 108.6° | 109.7° |
| C4 | C5 | C6 | 112.9° | 109.4° |
| C4 | C5 | O5 | 109.8° | 109.8° |
| C4 | C5 | H5 | 106.2° | 109.4° |
| C6 | C5 | O5 | 107.4° | 109.4° |
| C6 | C5 | H5 | 108.7° | 109.4° |
| C5 | C6 | O6 | 108.3° | 109.5° |
| C5 | C6 | H61 | 112.7° | 109.5° |
| C5 | C6 | H62 | 112.6° | 109.5° |
| O5 | C5 | H5 | 111.9° | 109.4° |
| O6 | C6 | H61 | 112.6° | 109.5° |
| O6 | C6 | H62 | 112.6° | 109.5° |
| C6 | O6 | HO6 | 108.3° | 106.9° |
| H61 | C6 | H62 | 97.8° | 109.4° |
| C8 | N2 | HN2 | 112.9° | 126.8° |
| N2 | C8 | S8 | 120.8° | 123.8° |
| N2 | C8 | N1 | 116.2° | 112.4° |
| S8 | C8 | N1 | 123.0° | 123.8° |
| C8 | N1 | C7 | 104.7° | 111.7° |
| C8 | N1 | HN1 | 127.3° | 124.2° |
| C7 | N1 | HN1 | 128.0° | 124.1° |
| N1 | C7 | O7 | 120.2° | 127.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | N2 | 119.7° | 122.8° |
| C2 | C1 | O5 | C7 | 130.8° | 122.7° |
| C2 | C1 | N2 | C7 | 117.4° | 118.1° |
| C1 | C2 | O2 | C3 | 121.4° | 119.7° |
| C1 | C2 | O2 | H2 | 118.7° | 120.2° |
| C1 | C2 | C3 | H2 | 118.7° | 119.8° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 170.9° | 172.9° |
| C1 | C2 | C3 | C4 | 50.7° | 52.9° |
| C1 | C2 | C3 | H3 | 68.3° | 66.8° |
| C2 | C1 | O5 | C5 | 54.7° | 66.1° |
| C2 | C1 | N2 | C8 | 117.2° | 118.1° |
| C2 | C1 | N2 | HN2 | 8.0° | 62.0° |
| C2 | C1 | C7 | N1 | 110.9° | 118.1° |
| C2 | C1 | C7 | O7 | 70.7° | 61.9° |
| O5 | C1 | N2 | C7 | 118.6° | 118.6° |
| O5 | C1 | C2 | O2 | 170.4° | 179.8° |
| O5 | C1 | C2 | C3 | 49.9° | 59.8° |
| O5 | C1 | C2 | H2 | 70.0° | 60.0° |
| C1 | O5 | C5 | C4 | 56.4° | 66.7° |
| C1 | O5 | C5 | C6 | 179.5° | 173.2° |
| C1 | O5 | C5 | H5 | 61.3° | 53.4° |
| O5 | C1 | N2 | C8 | 118.8° | 118.6° |
| O5 | C1 | N2 | HN2 | 115.9° | 61.4° |
| O5 | C1 | C7 | N1 | 118.3° | 118.6° |
| O5 | C1 | C7 | O7 | 60.1° | 61.3° |
| N2 | C1 | C2 | O2 | 66.8° | 57.2° |
| N2 | C1 | C2 | C3 | 172.6° | 177.2° |
| N2 | C1 | C2 | H2 | 52.8° | 63.0° |
| N2 | C1 | O5 | C5 | 174.4° | 171.1° |
| C1 | N2 | C8 | HN2 | 125.2° | 179.9° |
| C1 | N2 | C8 | S8 | 177.3° | 180.0° |
| C1 | N2 | C8 | N1 | 0.3° | 0.0° |
| N2 | C1 | C7 | N1 | 0.7° | 0.0° |
| N2 | C1 | C7 | O7 | 177.7° | 180.0° |
| C7 | C1 | C2 | O2 | 40.0° | 56.9° |
| C7 | C1 | C2 | C3 | 80.6° | 63.1° |
| C7 | C1 | C2 | H2 | 159.6° | 177.1° |
| C7 | C1 | O5 | C5 | 76.1° | 56.6° |
| C7 | C1 | N2 | C8 | 0.2° | 0.0° |
| C7 | C1 | N2 | HN2 | 125.5° | 180.0° |
| C1 | C7 | N1 | C8 | 0.9° | 0.0° |
| C1 | C7 | N1 | O7 | 178.5° | 180.0° |
| C1 | C7 | N1 | HN1 | 179.1° | 180.0° |
| O2 | C2 | C3 | H2 | 119.6° | 120.2° |
| O2 | C2 | C3 | O3 | 67.3° | 67.1° |
| O2 | C2 | C3 | C4 | 172.5° | 173.0° |
| O2 | C2 | C3 | H3 | 53.5° | 53.2° |
| C3 | C2 | O2 | HO2 | 58.5° | 60.3° |
| C2 | C3 | O3 | C4 | 120.8° | 119.2° |
| C2 | C3 | O3 | H3 | 120.3° | 120.3° |
| C2 | C3 | C4 | H3 | 120.3° | 119.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 175.7° | 174.2° |
| C2 | C3 | C4 | C5 | 54.2° | 54.3° |
| C2 | C3 | C4 | H4 | 64.9° | 65.7° |
| H2 | C2 | O2 | HO2 | 61.3° | 59.8° |
| H2 | C2 | C3 | O3 | 52.3° | 53.1° |
| H2 | C2 | C3 | C4 | 67.9° | 66.9° |
| H2 | C2 | C3 | H3 | 173.1° | 173.4° |
| O3 | C3 | C4 | H3 | 120.7° | 120.5° |
| O3 | C3 | C4 | O4 | 65.3° | 66.0° |
| O3 | C3 | C4 | C5 | 173.2° | 174.2° |
| O3 | C3 | C4 | H4 | 54.1° | 54.2° |
| C4 | C3 | O3 | HO3 | 59.2° | 60.8° |
| C3 | C4 | O4 | C5 | 121.8° | 119.6° |
| C3 | C4 | O4 | H4 | 119.2° | 120.1° |
| C3 | C4 | C5 | H4 | 119.2° | 119.9° |
| C3 | C4 | O4 | HO4 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 174.8° | 178.1° |
| C3 | C4 | C5 | O5 | 55.0° | 61.8° |
| C3 | C4 | C5 | H5 | 66.1° | 58.2° |
| H3 | C3 | O3 | HO3 | 59.7° | 59.7° |
| H3 | C3 | C4 | O4 | 55.4° | 54.5° |
| H3 | C3 | C4 | C5 | 66.1° | 65.4° |
| H3 | C3 | C4 | H4 | 174.9° | 174.7° |
| O4 | C4 | C5 | H4 | 119.4° | 120.2° |
| O4 | C4 | C5 | C6 | 63.8° | 58.2° |
| O4 | C4 | C5 | O5 | 176.4° | 178.3° |
| O4 | C4 | C5 | H5 | 55.2° | 61.7° |
| C5 | C4 | O4 | HO4 | 58.3° | 60.5° |
| C4 | C5 | C6 | O5 | 121.2° | 120.3° |
| C4 | C5 | C6 | H5 | 117.6° | 119.9° |
| C4 | C5 | O5 | H5 | 117.7° | 120.1° |
| C4 | C5 | C6 | O6 | 57.9° | 179.9° |
| C4 | C5 | C6 | H61 | 176.8° | 60.1° |
| C4 | C5 | C6 | H62 | 67.4° | 59.8° |
| H4 | C4 | O4 | HO4 | 60.7° | 59.8° |
| H4 | C4 | C5 | C6 | 55.6° | 62.0° |
| H4 | C4 | C5 | O5 | 64.2° | 58.1° |
| H4 | C4 | C5 | H5 | 174.7° | 178.1° |
| C6 | C5 | O5 | H5 | 119.2° | 119.8° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.1° |
| C5 | C6 | H61 | H62 | 118.6° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 63.3° | 59.8° |
| O5 | C5 | C6 | H61 | 62.0° | 60.2° |
| O5 | C5 | C6 | H62 | 171.5° | 179.9° |
| H5 | C5 | C6 | O6 | 175.5° | 60.0° |
| H5 | C5 | C6 | H61 | 59.2° | 180.0° |
| H5 | C5 | C6 | H62 | 50.2° | 60.1° |
| O6 | C6 | H61 | H62 | 118.5° | 119.9° |
| H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
| H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
| N2 | C8 | S8 | N1 | 177.5° | 179.9° |
| N2 | C8 | N1 | C7 | 0.8° | 0.0° |
| N2 | C8 | N1 | HN1 | 179.2° | 180.0° |
| HN2 | N2 | C8 | S8 | 57.5° | 0.1° |
| HN2 | N2 | C8 | N1 | 124.9° | 180.0° |
| S8 | C8 | N1 | C7 | 176.8° | 179.9° |
| S8 | C8 | N1 | HN1 | 3.2° | 0.0° |
| C8 | N1 | C7 | HN1 | 180.0° | 180.0° |
| C8 | N1 | C7 | O7 | 177.6° | 180.0° |
| HN1 | N1 | C7 | O7 | 2.4° | 0.1° |
