OS0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.20Å | |
| N08 | C02 | sing | 1.35Å | 1.41Å | |
| N08 | C06 | sing | 1.47Å | 1.50Å | |
| C02 | N03 | sing | 1.34Å | 1.43Å | |
| C06 | C05 | sing | 1.52Å | 1.48Å | |
| C06 | O07 | sing | 1.43Å | 1.46Å | |
| N03 | C04 | sing | 1.39Å | 1.40Å | |
| C05 | C04 | doub | 1.32Å | 1.43Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| N08 | H4 | sing | 0.97Å | 1.00Å | |
| O07 | H5 | sing | 0.97Å | 0.95Å | |
| N03 | H3 | sing | 0.97Å | 1.00Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N08 | 122.3° | 119.0° |
| O01 | C02 | N03 | 116.9° | 119.2° |
| C02 | N08 | C06 | 120.8° | 118.3° |
| N08 | C02 | N03 | 120.6° | 121.8° |
| C02 | N08 | H4 | 119.6° | 120.8° |
| N08 | C06 | C05 | 114.7° | 117.2° |
| N08 | C06 | O07 | 104.1° | 107.9° |
| C06 | N08 | H4 | 119.6° | 120.8° |
| N08 | C06 | H6 | 107.7° | 107.9° |
| C02 | N03 | C04 | 121.2° | 123.4° |
| C02 | N03 | H3 | 119.4° | 118.3° |
| C05 | C06 | O07 | 113.7° | 107.9° |
| C06 | C05 | C04 | 122.0° | 118.0° |
| C06 | C05 | H2 | 119.0° | 121.0° |
| C05 | C06 | H6 | 108.0° | 107.9° |
| C06 | O07 | H5 | 109.5° | 114.0° |
| O07 | C06 | H6 | 108.3° | 107.8° |
| N03 | C04 | C05 | 119.8° | 121.3° |
| N03 | C04 | H1 | 120.1° | 119.4° |
| C04 | N03 | H3 | 119.4° | 118.3° |
| C05 | C04 | H1 | 120.1° | 119.4° |
| C04 | C05 | H2 | 119.0° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N08 | N03 | 174.2° | 179.7° |
| O01 | C02 | N08 | C06 | 179.9° | 179.7° |
| O01 | C02 | N03 | C04 | 175.3° | 179.7° |
| O01 | C02 | N08 | H4 | 0.0° | 0.3° |
| O01 | C02 | N03 | H3 | 4.7° | 0.3° |
| C02 | N08 | C06 | H4 | 180.0° | 179.9° |
| C02 | N08 | C06 | C05 | 10.5° | 0.1° |
| C02 | N08 | C06 | O07 | 114.4° | 122.0° |
| N08 | C02 | N03 | C04 | 0.8° | 0.0° |
| N08 | C02 | N03 | H3 | 179.2° | 179.9° |
| C02 | N08 | C06 | H6 | 130.7° | 121.9° |
| C06 | N08 | C02 | N03 | 5.8° | 0.0° |
| N08 | C06 | C05 | O07 | 119.7° | 121.9° |
| N08 | C06 | C05 | H6 | 120.1° | 121.9° |
| N08 | C06 | O07 | H6 | 114.4° | 116.3° |
| N08 | C06 | C05 | C04 | 10.9° | 0.1° |
| N08 | C06 | C05 | H2 | 169.1° | 180.0° |
| N08 | C06 | O07 | H5 | 180.0° | 52.5° |
| C02 | N03 | C04 | H3 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 1.1° | 0.0° |
| C02 | N03 | C04 | H1 | 178.9° | 180.0° |
| N03 | C02 | N08 | H4 | 174.2° | 180.0° |
| C05 | C06 | O07 | H6 | 120.0° | 116.2° |
| C06 | C05 | C04 | N03 | 6.6° | 0.1° |
| C06 | C05 | C04 | H2 | 180.0° | 179.9° |
| C06 | C05 | C04 | H1 | 173.4° | 180.0° |
| C05 | C06 | N08 | H4 | 169.5° | 180.0° |
| C05 | C06 | O07 | H5 | 54.5° | 180.0° |
| O07 | C06 | C05 | C04 | 108.8° | 122.0° |
| O07 | C06 | C05 | H2 | 71.2° | 58.1° |
| O07 | C06 | N08 | H4 | 65.5° | 58.1° |
| N03 | C04 | C05 | H1 | 180.0° | 179.9° |
| N03 | C04 | C05 | H2 | 173.4° | 180.0° |
| C05 | C04 | N03 | H3 | 178.9° | 179.9° |
| C04 | C05 | C06 | H6 | 131.0° | 121.8° |
| H1 | C04 | C05 | H2 | 6.6° | 0.1° |
| H1 | C04 | N03 | H3 | 1.1° | 0.0° |
| H2 | C05 | C06 | H6 | 49.0° | 58.0° |
| H4 | N08 | C06 | H6 | 49.3° | 58.1° |
| H5 | O07 | C06 | H6 | 65.5° | 63.7° |
