GLS
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 | 1.45Å | |
| C1 | N2 | sing | 1.47Å | 1.45Å | |
| C1 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| 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 | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C8 | O8 | doub | 1.22Å | 1.26Å | |
| C8 | N1 | sing | 1.34Å | 1.33Å | |
| N1 | C7 | sing | 1.35Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C7 | O7 | doub | 1.21Å | 1.22Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 115.1° | 111.1° |
| C2 | C1 | N2 | 110.4° | 110.3° |
| C2 | C1 | C7 | 117.1° | 110.2° |
| C1 | C2 | O2 | 107.4° | 109.5° |
| C1 | C2 | C3 | 110.0° | 109.2° |
| C1 | C2 | H2 | 110.2° | 109.5° |
| O5 | C1 | N2 | 106.7° | 110.5° |
| O5 | C1 | C7 | 107.0° | 110.5° |
| C1 | O5 | C5 | 114.9° | 107.8° |
| N2 | C1 | C7 | 98.8° | 104.0° |
| C1 | N2 | C8 | 108.9° | 106.4° |
| C1 | N2 | HN2 | 112.4° | 126.8° |
| C1 | C7 | N1 | 111.5° | 105.5° |
| C1 | C7 | O7 | 127.4° | 127.3° |
| O2 | C2 | C3 | 108.4° | 109.6° |
| O2 | C2 | H2 | 111.6° | 109.5° |
| C2 | O2 | HO2 | 107.4° | 106.8° |
| C3 | C2 | H2 | 109.1° | 109.6° |
| C2 | C3 | O3 | 103.6° | 109.6° |
| C2 | C3 | C4 | 106.9° | 108.6° |
| C2 | C3 | H3 | 114.4° | 109.7° |
| O3 | C3 | C4 | 108.1° | 109.8° |
| O3 | C3 | H3 | 113.2° | 109.6° |
| C3 | O3 | HO3 | 103.6° | 106.8° |
| C4 | C3 | H3 | 110.2° | 109.6° |
| C3 | C4 | O4 | 108.7° | 109.6° |
| C3 | C4 | C5 | 113.3° | 109.0° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| O4 | C4 | C5 | 111.5° | 109.5° |
| O4 | C4 | H4 | 110.0° | 109.6° |
| C4 | O4 | HO4 | 108.8° | 106.8° |
| C5 | C4 | H4 | 105.2° | 109.6° |
| C4 | C5 | C6 | 116.3° | 109.4° |
| C4 | C5 | O5 | 111.3° | 109.7° |
| C4 | C5 | H5 | 103.1° | 109.4° |
| C6 | C5 | O5 | 109.2° | 109.4° |
| C6 | C5 | H5 | 105.6° | 109.4° |
| C5 | C6 | O6 | 108.1° | 109.5° |
| C5 | C6 | H61 | 112.8° | 109.5° |
| C5 | C6 | H62 | 112.7° | 109.5° |
| O5 | C5 | H5 | 111.2° | 109.4° |
| O6 | C6 | H61 | 112.7° | 109.4° |
| O6 | C6 | H62 | 112.7° | 109.5° |
| C6 | O6 | HO6 | 108.1° | 106.8° |
| H61 | C6 | H62 | 97.7° | 109.4° |
| C8 | N2 | HN2 | 112.4° | 126.7° |
| N2 | C8 | O8 | 122.5° | 123.8° |
| N2 | C8 | N1 | 116.5° | 112.4° |
| O8 | C8 | N1 | 121.0° | 123.8° |
| C8 | N1 | C7 | 104.2° | 111.6° |
| C8 | N1 | HN1 | 126.6° | 124.1° |
| C7 | N1 | HN1 | 129.2° | 124.2° |
| N1 | C7 | O7 | 121.1° | 127.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | N2 | 122.9° | 122.7° |
| C2 | C1 | O5 | C7 | 132.1° | 122.7° |
| C2 | C1 | N2 | C7 | 123.4° | 118.2° |
| C1 | C2 | O2 | C3 | 118.8° | 119.7° |
| C1 | C2 | O2 | H2 | 120.9° | 120.1° |
| C1 | C2 | C3 | H2 | 121.0° | 119.9° |
| C1 | C2 | O2 | HO2 | 179.9° | 180.0° |
| C1 | C2 | C3 | O3 | 166.1° | 172.9° |
| C1 | C2 | C3 | C4 | 52.1° | 53.0° |
| C1 | C2 | C3 | H3 | 70.2° | 66.7° |
| C2 | C1 | O5 | C5 | 49.0° | 66.2° |
| C2 | C1 | N2 | C8 | 124.0° | 118.2° |
| C2 | C1 | N2 | HN2 | 1.3° | 61.8° |
| C2 | C1 | C7 | N1 | 118.3° | 118.2° |
| C2 | C1 | C7 | O7 | 62.1° | 61.8° |
| O5 | C1 | N2 | C7 | 110.9° | 118.7° |
| O5 | C1 | C2 | O2 | 166.9° | 179.9° |
| O5 | C1 | C2 | C3 | 49.1° | 59.9° |
| O5 | C1 | C2 | H2 | 71.3° | 60.0° |
| C1 | O5 | C5 | C4 | 51.7° | 66.8° |
| C1 | O5 | C5 | C6 | 178.7° | 173.2° |
| C1 | O5 | C5 | H5 | 62.6° | 53.3° |
| O5 | C1 | N2 | C8 | 110.2° | 118.6° |
| O5 | C1 | N2 | HN2 | 124.5° | 61.3° |
| O5 | C1 | C7 | N1 | 110.7° | 118.6° |
| O5 | C1 | C7 | O7 | 68.9° | 61.4° |
| N2 | C1 | C2 | O2 | 72.3° | 57.3° |
| N2 | C1 | C2 | C3 | 169.9° | 177.2° |
| N2 | C1 | C2 | H2 | 49.6° | 62.8° |
| N2 | C1 | O5 | C5 | 171.9° | 171.1° |
| C1 | N2 | C8 | HN2 | 125.2° | 180.0° |
| C1 | N2 | C8 | O8 | 178.9° | 180.0° |
| C1 | N2 | C8 | N1 | 1.4° | 0.0° |
| N2 | C1 | C7 | N1 | 0.2° | 0.0° |
| N2 | C1 | C7 | O7 | 179.5° | 180.0° |
| C7 | C1 | C2 | O2 | 39.8° | 57.0° |
| C7 | C1 | C2 | C3 | 78.1° | 63.0° |
| C7 | C1 | C2 | H2 | 161.6° | 177.1° |
| C7 | C1 | O5 | C5 | 83.1° | 56.5° |
| C7 | C1 | N2 | C8 | 0.7° | 0.0° |
| C7 | C1 | N2 | HN2 | 124.6° | 180.0° |
| C1 | C7 | N1 | C8 | 0.9° | 0.0° |
| C1 | C7 | N1 | O7 | 179.7° | 180.0° |
| C1 | C7 | N1 | HN1 | 179.1° | 180.0° |
| O2 | C2 | C3 | H2 | 121.8° | 120.2° |
| O2 | C2 | C3 | O3 | 76.7° | 67.2° |
| O2 | C2 | C3 | C4 | 169.3° | 172.9° |
| O2 | C2 | C3 | H3 | 47.0° | 53.2° |
| C3 | C2 | O2 | HO2 | 61.1° | 60.3° |
| C2 | C3 | O3 | C4 | 113.2° | 119.2° |
| C2 | C3 | O3 | H3 | 124.4° | 120.4° |
| C2 | C3 | C4 | H3 | 124.9° | 119.8° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 176.9° | 174.2° |
| C2 | C3 | C4 | C5 | 58.6° | 54.3° |
| C2 | C3 | C4 | H4 | 57.5° | 65.6° |
| H2 | C2 | O2 | HO2 | 59.2° | 59.9° |
| H2 | C2 | C3 | O3 | 45.2° | 53.0° |
| H2 | C2 | C3 | C4 | 68.9° | 66.9° |
| H2 | C2 | C3 | H3 | 168.8° | 173.4° |
| O3 | C3 | C4 | H3 | 124.2° | 120.4° |
| O3 | C3 | C4 | O4 | 65.9° | 66.0° |
| O3 | C3 | C4 | C5 | 169.6° | 174.1° |
| O3 | C3 | C4 | H4 | 53.4° | 54.2° |
| C4 | C3 | O3 | HO3 | 66.8° | 60.8° |
| C3 | C4 | O4 | C5 | 125.5° | 119.5° |
| C3 | C4 | O4 | H4 | 118.2° | 120.2° |
| C3 | C4 | C5 | H4 | 117.8° | 119.8° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 175.6° | 178.1° |
| C3 | C4 | C5 | O5 | 58.6° | 61.8° |
| C3 | C4 | C5 | H5 | 60.6° | 58.2° |
| H3 | C3 | O3 | HO3 | 55.6° | 59.6° |
| H3 | C3 | C4 | O4 | 58.2° | 54.4° |
| H3 | C3 | C4 | C5 | 66.3° | 65.5° |
| H3 | C3 | C4 | H4 | 177.6° | 174.6° |
| O4 | C4 | C5 | H4 | 119.2° | 120.2° |
| O4 | C4 | C5 | C6 | 52.6° | 58.2° |
| O4 | C4 | C5 | O5 | 178.4° | 178.3° |
| O4 | C4 | C5 | H5 | 62.4° | 61.7° |
| C5 | C4 | O4 | HO4 | 54.5° | 60.6° |
| C4 | C5 | C6 | O5 | 126.9° | 120.2° |
| C4 | C5 | C6 | H5 | 113.5° | 119.9° |
| C4 | C5 | O5 | H5 | 114.3° | 120.1° |
| C4 | C5 | C6 | O6 | 57.0° | 179.9° |
| C4 | C5 | C6 | H61 | 177.7° | 60.1° |
| C4 | C5 | C6 | H62 | 68.3° | 59.8° |
| H4 | C4 | O4 | HO4 | 61.8° | 59.7° |
| H4 | C4 | C5 | C6 | 66.6° | 62.1° |
| H4 | C4 | C5 | O5 | 59.2° | 58.0° |
| H4 | C4 | C5 | H5 | 178.5° | 178.1° |
| C6 | C5 | O5 | H5 | 116.0° | 119.9° |
| 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 | 69.9° | 59.9° |
| O5 | C5 | C6 | H61 | 55.4° | 60.1° |
| O5 | C5 | C6 | H62 | 164.8° | 180.0° |
| H5 | C5 | C6 | O6 | 170.5° | 60.0° |
| H5 | C5 | C6 | H61 | 64.2° | 180.0° |
| H5 | C5 | C6 | H62 | 45.3° | 60.1° |
| O6 | C6 | H61 | H62 | 118.6° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.7° | 59.9° |
| N2 | C8 | O8 | N1 | 179.7° | 180.0° |
| N2 | C8 | N1 | C7 | 1.4° | 0.0° |
| N2 | C8 | N1 | HN1 | 178.6° | 180.0° |
| HN2 | N2 | C8 | O8 | 55.9° | 0.1° |
| HN2 | N2 | C8 | N1 | 123.9° | 180.0° |
| O8 | C8 | N1 | C7 | 178.8° | 179.9° |
| O8 | C8 | N1 | HN1 | 1.2° | 0.0° |
| C8 | N1 | C7 | HN1 | 180.0° | 180.0° |
| C8 | N1 | C7 | O7 | 178.8° | 180.0° |
| HN1 | N1 | C7 | O7 | 1.2° | 0.1° |
