BGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2' | S1 | sing | 1.81Å | 1.85Å | |
| C2' | CS | sing | 1.53Å | 1.51Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| O2' | S1 | doub | 1.42Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | S1 | sing | 1.81Å | 1.82Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| S1 | O1' | doub | 1.42Å | 1.47Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| CS | HS1 | sing | 1.09Å | 1.10Å | |
| CS | HS2 | sing | 1.09Å | 1.10Å | |
| CS | HS3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C2' | CS | 108.8° | 109.4° |
| S1 | C2' | H2'1 | 109.9° | 109.5° |
| S1 | C2' | H2'2 | 109.7° | 109.5° |
| C2' | S1 | O2' | 109.4° | 109.0° |
| C2' | S1 | C1 | 103.0° | 99.4° |
| C2' | S1 | O1' | 111.6° | 109.0° |
| CS | C2' | H2'1 | 109.9° | 109.4° |
| CS | C2' | H2'2 | 109.7° | 109.4° |
| C2' | CS | HS1 | 109.5° | 109.5° |
| C2' | CS | HS2 | 109.5° | 109.5° |
| C2' | CS | HS3 | 109.5° | 109.5° |
| H2'1 | C2' | H2'2 | 108.9° | 109.5° |
| O2' | S1 | C1 | 110.7° | 109.0° |
| O2' | S1 | O1' | 108.3° | 119.6° |
| C6 | C5 | C4 | 111.9° | 109.3° |
| C6 | C5 | O5 | 107.8° | 109.4° |
| C6 | C5 | H5 | 109.2° | 109.4° |
| C5 | C6 | O6 | 115.9° | 109.4° |
| C5 | C6 | H61 | 105.9° | 109.4° |
| C5 | C6 | H62 | 107.4° | 109.5° |
| C4 | C5 | O5 | 110.0° | 109.8° |
| C4 | C5 | H5 | 106.9° | 109.4° |
| C5 | C4 | C3 | 109.2° | 109.0° |
| C5 | C4 | O4 | 110.5° | 109.6° |
| C5 | C4 | H4 | 109.2° | 109.6° |
| O5 | C5 | H5 | 111.1° | 109.5° |
| C5 | O5 | C1 | 112.5° | 107.6° |
| O6 | C6 | H61 | 105.9° | 109.5° |
| O6 | C6 | H62 | 107.4° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 106.7° |
| H61 | C6 | H62 | 114.6° | 109.4° |
| C1 | C2 | O2 | 110.2° | 109.6° |
| C1 | C2 | C3 | 109.0° | 109.0° |
| C1 | C2 | H2 | 109.4° | 109.7° |
| C2 | C1 | S1 | 110.3° | 109.4° |
| C2 | C1 | O5 | 110.3° | 109.7° |
| C2 | C1 | H1 | 107.8° | 109.4° |
| O2 | C2 | C3 | 109.9° | 109.5° |
| O2 | C2 | H2 | 108.5° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 106.8° |
| C3 | C2 | H2 | 109.7° | 109.5° |
| C2 | C3 | C4 | 108.7° | 108.6° |
| C2 | C3 | O3 | 110.1° | 109.7° |
| C2 | C3 | H3 | 109.8° | 109.7° |
| C3 | C4 | O4 | 109.9° | 109.6° |
| C3 | C4 | H4 | 109.7° | 109.5° |
| C4 | C3 | O3 | 110.2° | 109.6° |
| C4 | C3 | H3 | 109.8° | 109.6° |
| O4 | C4 | H4 | 108.4° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| S1 | C1 | O5 | 107.7° | 109.4° |
| S1 | C1 | H1 | 110.4° | 109.4° |
| C1 | S1 | O1' | 113.8° | 109.0° |
| O5 | C1 | H1 | 110.3° | 109.4° |
| O3 | C3 | H3 | 108.3° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| HS1 | CS | HS2 | 109.5° | 109.4° |
| HS1 | CS | HS3 | 109.4° | 109.5° |
| HS2 | CS | HS3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C2' | CS | H2'1 | 120.3° | 120.0° |
| S1 | C2' | CS | H2'2 | 120.0° | 120.1° |
| S1 | C2' | H2'1 | H2'2 | 120.2° | 120.1° |
| C2' | S1 | O2' | C1 | 112.8° | 107.5° |
| C2' | S1 | O2' | O1' | 121.8° | 126.2° |
| C2' | S1 | C1 | C2 | 166.6° | 179.9° |
| C2' | S1 | C1 | O1' | 120.9° | 114.0° |
| C2' | S1 | C1 | O5 | 46.1° | 59.9° |
| C2' | S1 | C1 | H1 | 74.4° | 60.0° |
| S1 | C2' | CS | HS1 | 68.7° | 180.0° |
| S1 | C2' | CS | HS2 | 171.3° | 60.0° |
| S1 | C2' | CS | HS3 | 51.3° | 60.1° |
| CS | C2' | H2'1 | H2'2 | 120.2° | 119.9° |
| CS | C2' | S1 | O2' | 20.2° | 66.1° |
| CS | C2' | S1 | C1 | 137.9° | 180.0° |
| CS | C2' | S1 | O1' | 99.6° | 66.0° |
| C2' | CS | HS1 | HS2 | 120.0° | 120.0° |
| C2' | CS | HS1 | HS3 | 120.0° | 120.0° |
| C2' | CS | HS2 | HS3 | 120.0° | 120.0° |
| H2'1 | C2' | S1 | O2' | 100.1° | 174.0° |
| H2'1 | C2' | S1 | C1 | 17.6° | 60.1° |
| H2'1 | C2' | S1 | O1' | 140.1° | 53.9° |
| H2'1 | C2' | CS | HS1 | 171.0° | 60.0° |
| H2'1 | C2' | CS | HS2 | 51.0° | 60.0° |
| H2'1 | C2' | CS | HS3 | 69.0° | 180.0° |
| H2'2 | C2' | S1 | O2' | 140.1° | 53.9° |
| H2'2 | C2' | S1 | C1 | 102.1° | 60.0° |
| H2'2 | C2' | S1 | O1' | 20.4° | 174.0° |
| H2'2 | C2' | CS | HS1 | 51.3° | 60.0° |
| H2'2 | C2' | CS | HS2 | 68.7° | 180.0° |
| H2'2 | C2' | CS | HS3 | 171.3° | 60.0° |
| O2' | S1 | C1 | C2 | 76.6° | 65.9° |
| O2' | S1 | C1 | O1' | 122.2° | 132.1° |
| O2' | S1 | C1 | O5 | 162.9° | 173.8° |
| O2' | S1 | C1 | H1 | 42.4° | 54.0° |
| C6 | C5 | C4 | O5 | 119.7° | 120.0° |
| C6 | C5 | C4 | H5 | 119.5° | 119.8° |
| C6 | C5 | O5 | H5 | 119.6° | 119.9° |
| C5 | C6 | O6 | H61 | 117.1° | 119.9° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 118.2° | 120.0° |
| C6 | C5 | C4 | C3 | 178.0° | 178.7° |
| C6 | C5 | C4 | O4 | 61.0° | 58.8° |
| C6 | C5 | C4 | H4 | 58.1° | 61.5° |
| C6 | C5 | O5 | C1 | 178.5° | 172.4° |
| C5 | C6 | O6 | HO6 | 102.2° | 179.9° |
| C4 | C5 | O5 | H5 | 118.2° | 120.1° |
| C4 | C5 | C6 | O6 | 59.6° | 174.7° |
| C4 | C5 | C6 | H61 | 57.4° | 54.7° |
| C4 | C5 | C6 | H62 | 179.6° | 65.3° |
| C5 | C4 | C3 | C2 | 58.7° | 53.8° |
| C5 | C4 | C3 | O4 | 121.4° | 119.9° |
| C5 | C4 | C3 | H4 | 119.6° | 119.9° |
| C5 | C4 | O4 | H4 | 119.6° | 120.3° |
| C4 | C5 | O5 | C1 | 59.2° | 67.7° |
| C5 | C4 | C3 | O3 | 179.4° | 173.6° |
| C5 | C4 | C3 | H3 | 61.5° | 66.0° |
| C5 | C4 | O4 | HO4 | 167.6° | 60.0° |
| O5 | C5 | C6 | O6 | 61.4° | 65.1° |
| O5 | C5 | C6 | H61 | 178.5° | 175.0° |
| O5 | C5 | C6 | H62 | 58.6° | 55.0° |
| C5 | O5 | C1 | C2 | 59.5° | 67.7° |
| O5 | C5 | C4 | C3 | 58.2° | 61.3° |
| O5 | C5 | C4 | O4 | 179.2° | 178.8° |
| O5 | C5 | C4 | H4 | 61.7° | 58.5° |
| C5 | O5 | C1 | S1 | 179.9° | 172.3° |
| C5 | O5 | C1 | H1 | 59.5° | 52.4° |
| H5 | C5 | C6 | O6 | 177.8° | 54.9° |
| H5 | C5 | C6 | H61 | 60.7° | 65.1° |
| H5 | C5 | C6 | H62 | 62.2° | 174.9° |
| H5 | C5 | C4 | C3 | 62.5° | 58.9° |
| H5 | C5 | C4 | O4 | 58.5° | 61.1° |
| H5 | C5 | C4 | H4 | 177.5° | 178.7° |
| H5 | C5 | O5 | C1 | 59.0° | 52.5° |
| O6 | C6 | H61 | H62 | 118.2° | 120.1° |
| H61 | C6 | O6 | HO6 | 140.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 17.8° | 60.0° |
| C1 | C2 | O2 | C3 | 120.2° | 119.5° |
| C1 | C2 | O2 | H2 | 119.8° | 120.3° |
| C1 | C2 | C3 | H2 | 119.8° | 120.0° |
| C1 | C2 | C3 | C4 | 58.6° | 53.9° |
| C2 | C1 | S1 | O5 | 120.5° | 120.2° |
| C2 | C1 | S1 | H1 | 119.0° | 119.9° |
| C2 | C1 | O5 | H1 | 119.0° | 120.1° |
| C2 | C1 | S1 | O1' | 45.6° | 66.2° |
| C1 | C2 | O2 | HO2 | 160.1° | 179.5° |
| C1 | C2 | C3 | O3 | 179.4° | 173.6° |
| C1 | C2 | C3 | H3 | 61.4° | 65.9° |
| O2 | C2 | C3 | H2 | 119.3° | 120.1° |
| O2 | C2 | C3 | C4 | 179.6° | 173.7° |
| O2 | C2 | C1 | S1 | 61.7° | 58.7° |
| O2 | C2 | C1 | O5 | 179.3° | 178.7° |
| O2 | C2 | C1 | H1 | 58.8° | 61.2° |
| O2 | C2 | C3 | O3 | 59.7° | 66.5° |
| O2 | C2 | C3 | H3 | 59.5° | 53.9° |
| C2 | C3 | C4 | O3 | 120.7° | 119.8° |
| C2 | C3 | C4 | H3 | 120.1° | 119.8° |
| C2 | C3 | C4 | O4 | 180.0° | 173.7° |
| C2 | C3 | C4 | H4 | 60.9° | 66.1° |
| C3 | C2 | C1 | S1 | 177.5° | 178.6° |
| C3 | C2 | C1 | O5 | 58.6° | 61.4° |
| C3 | C2 | C1 | H1 | 61.9° | 58.7° |
| C3 | C2 | O2 | HO2 | 39.9° | 60.0° |
| C2 | C3 | O3 | H3 | 120.1° | 120.5° |
| C2 | C3 | O3 | HO3 | 1.2° | 179.2° |
| H2 | C2 | C3 | C4 | 61.1° | 66.1° |
| H2 | C2 | C1 | S1 | 57.5° | 61.5° |
| H2 | C2 | C1 | O5 | 61.4° | 58.5° |
| H2 | C2 | C1 | H1 | 178.1° | 178.6° |
| H2 | C2 | O2 | HO2 | 80.1° | 60.2° |
| H2 | C2 | C3 | O3 | 59.6° | 53.6° |
| H2 | C2 | C3 | H3 | 178.8° | 174.1° |
| C3 | C4 | O4 | H4 | 119.9° | 120.2° |
| C4 | C3 | O3 | H3 | 120.0° | 120.4° |
| C4 | C3 | O3 | HO3 | 118.7° | 60.1° |
| C3 | C4 | O4 | HO4 | 47.1° | 179.5° |
| O4 | C4 | C3 | O3 | 59.3° | 66.5° |
| O4 | C4 | C3 | H3 | 59.9° | 53.8° |
| H4 | C4 | C3 | O3 | 59.8° | 53.8° |
| H4 | C4 | C3 | H3 | 179.0° | 174.1° |
| H4 | C4 | O4 | HO4 | 72.8° | 60.2° |
| S1 | C1 | O5 | H1 | 120.5° | 119.9° |
| O5 | C1 | S1 | O1' | 74.9° | 54.1° |
| H1 | C1 | S1 | O1' | 164.6° | 173.9° |
| H3 | C3 | O3 | HO3 | 121.3° | 60.3° |
| HS1 | CS | HS2 | HS3 | 120.0° | 120.0° |






