OXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.36Å | |
| N1 | C6 | sing | 1.34Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.47Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | N5 | sing | 1.47Å | 1.34Å | |
| C4 | CG | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| N5 | C6 | sing | 1.35Å | 1.45Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C6 | O6 | doub | 1.21Å | 1.21Å | |
| CG | OD1 | sing | 1.34Å | 1.25Å | |
| CG | OD2 | doub | 1.21Å | 1.23Å | |
| OD1 | HD1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 126.1° | 123.5° |
| C2 | N1 | HN1 | 106.4° | 118.2° |
| N1 | C2 | O2 | 121.0° | 119.2° |
| N1 | C2 | N3 | 118.4° | 121.5° |
| C6 | N1 | HN1 | 106.4° | 118.3° |
| N1 | C6 | N5 | 112.4° | 121.5° |
| N1 | C6 | O6 | 121.5° | 119.3° |
| O2 | C2 | N3 | 120.6° | 119.3° |
| C2 | N3 | C4 | 118.7° | 118.2° |
| C2 | N3 | HN3 | 122.4° | 120.9° |
| C4 | N3 | HN3 | 119.0° | 120.9° |
| N3 | C4 | N5 | 123.9° | 117.2° |
| N3 | C4 | CG | 118.9° | 107.9° |
| N3 | C4 | H4 | 58.5° | 107.9° |
| N5 | C4 | CG | 117.1° | 107.9° |
| N5 | C4 | H4 | 80.6° | 107.9° |
| C4 | N5 | C6 | 120.5° | 118.2° |
| C4 | N5 | HN5 | 115.8° | 121.0° |
| CG | C4 | H4 | 140.0° | 107.7° |
| C4 | CG | OD1 | 115.1° | 120.1° |
| C4 | CG | OD2 | 119.7° | 119.9° |
| C6 | N5 | HN5 | 123.7° | 120.8° |
| N5 | C6 | O6 | 126.0° | 119.2° |
| OD1 | CG | OD2 | 125.1° | 120.0° |
| CG | OD1 | HD1 | 115.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | HN1 | 125.3° | 180.0° |
| N1 | C2 | O2 | N3 | 178.1° | 179.9° |
| N1 | C2 | N3 | C4 | 2.1° | 0.0° |
| N1 | C2 | N3 | HN3 | 177.8° | 180.0° |
| C2 | N1 | C6 | N5 | 0.5° | 0.0° |
| C2 | N1 | C6 | O6 | 178.6° | 179.9° |
| C6 | N1 | C2 | O2 | 179.7° | 179.9° |
| C6 | N1 | C2 | N3 | 1.6° | 0.0° |
| N1 | C6 | N5 | C4 | 2.2° | 0.0° |
| N1 | C6 | N5 | O6 | 177.9° | 179.9° |
| N1 | C6 | N5 | HN5 | 177.9° | 179.9° |
| HN1 | N1 | C2 | O2 | 55.0° | 0.0° |
| HN1 | N1 | C2 | N3 | 126.9° | 180.0° |
| HN1 | N1 | C6 | N5 | 124.8° | 180.0° |
| HN1 | N1 | C6 | O6 | 53.2° | 0.1° |
| O2 | C2 | N3 | C4 | 179.8° | 179.9° |
| O2 | C2 | N3 | HN3 | 0.3° | 0.1° |
| C2 | N3 | C4 | HN3 | 179.9° | 180.0° |
| C2 | N3 | C4 | N5 | 0.5° | 0.0° |
| C2 | N3 | C4 | CG | 176.2° | 122.0° |
| C2 | N3 | C4 | H4 | 50.4° | 121.9° |
| N3 | C4 | N5 | CG | 176.7° | 122.0° |
| N3 | C4 | N5 | H4 | 41.4° | 121.9° |
| N3 | C4 | CG | H4 | 74.3° | 116.2° |
| N3 | C4 | N5 | C6 | 1.8° | 0.0° |
| N3 | C4 | N5 | HN5 | 178.3° | 179.9° |
| N3 | C4 | CG | OD1 | 169.4° | 52.5° |
| N3 | C4 | CG | OD2 | 7.9° | 127.4° |
| HN3 | N3 | C4 | N5 | 179.5° | 180.0° |
| HN3 | N3 | C4 | CG | 3.9° | 58.0° |
| HN3 | N3 | C4 | H4 | 129.5° | 58.1° |
| N5 | C4 | CG | H4 | 108.9° | 116.3° |
| C4 | N5 | C6 | HN5 | 179.9° | 179.9° |
| C4 | N5 | C6 | O6 | 179.9° | 179.9° |
| N5 | C4 | CG | OD1 | 7.5° | 180.0° |
| N5 | C4 | CG | OD2 | 175.3° | 0.1° |
| CG | C4 | N5 | C6 | 178.4° | 122.0° |
| CG | C4 | N5 | HN5 | 1.6° | 58.1° |
| C4 | CG | OD1 | OD2 | 177.1° | 180.0° |
| C4 | CG | OD1 | HD1 | 180.0° | 180.0° |
| H4 | C4 | N5 | C6 | 39.6° | 121.9° |
| H4 | C4 | N5 | HN5 | 140.3° | 58.0° |
| H4 | C4 | CG | OD1 | 116.4° | 63.7° |
| H4 | C4 | CG | OD2 | 66.4° | 116.3° |
| HN5 | N5 | C6 | O6 | 0.0° | 0.0° |
| OD2 | CG | OD1 | HD1 | 3.0° | 0.0° |
