6UA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.27Å | |
| N1 | C2 | sing | 1.33Å | 1.35Å | |
| N1 | C6 | doub | 1.31Å | 1.35Å | |
| C2 | N3 | sing | 1.34Å | 1.35Å | |
| N6 | C6 | sing | 1.35Å | 1.36Å | |
| C6 | C5 | sing | 1.52Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| C5 | C4 | sing | 1.52Å | 1.37Å | |
| C4 | O4 | doub | 1.21Å | 1.31Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| N6 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N1 | 119.8° | 117.6° |
| O2 | C2 | N3 | 119.4° | 117.6° |
| C2 | N1 | C6 | 119.9° | 122.7° |
| N1 | C2 | N3 | 120.8° | 124.8° |
| N1 | C6 | N6 | 114.9° | 121.1° |
| N1 | C6 | C5 | 121.3° | 117.8° |
| C2 | N3 | C4 | 119.1° | 121.5° |
| C2 | N3 | H1 | 120.5° | 119.3° |
| N6 | C6 | C5 | 123.7° | 121.1° |
| C6 | N6 | H2 | 120.0° | 120.0° |
| C6 | N6 | H3 | 120.0° | 120.0° |
| C6 | C5 | C4 | 116.9° | 116.2° |
| C6 | C5 | H4 | 107.6° | 108.1° |
| C6 | C5 | H5 | 107.6° | 108.1° |
| N3 | C4 | C5 | 121.9° | 117.1° |
| N3 | C4 | O4 | 114.6° | 121.5° |
| C4 | N3 | H1 | 120.5° | 119.2° |
| C5 | C4 | O4 | 123.5° | 121.4° |
| C4 | C5 | H4 | 107.6° | 108.4° |
| C4 | C5 | H5 | 107.6° | 108.0° |
| H2 | N6 | H3 | 120.0° | 120.0° |
| H4 | C5 | H5 | 109.5° | 107.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N1 | N3 | 178.2° | 179.6° |
| O2 | C2 | N1 | C6 | 179.1° | 180.0° |
| O2 | C2 | N3 | C4 | 177.6° | 180.0° |
| O2 | C2 | N3 | H1 | 2.4° | 0.2° |
| C2 | N1 | C6 | N6 | 179.0° | 179.9° |
| C2 | N1 | C6 | C5 | 1.6° | 0.0° |
| N1 | C2 | N3 | C4 | 4.2° | 0.4° |
| N1 | C2 | N3 | H1 | 175.8° | 179.8° |
| C6 | N1 | C2 | N3 | 2.7° | 0.4° |
| N1 | C6 | N6 | C5 | 177.4° | 180.0° |
| N1 | C6 | C5 | C4 | 1.9° | 0.3° |
| N1 | C6 | N6 | H2 | 0.0° | 0.0° |
| N1 | C6 | N6 | H3 | 180.0° | 180.0° |
| N1 | C6 | C5 | H4 | 123.0° | 121.7° |
| N1 | C6 | C5 | H5 | 119.2° | 121.7° |
| C2 | N3 | C4 | H1 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 4.6° | 0.0° |
| C2 | N3 | C4 | O4 | 172.6° | 180.0° |
| N6 | C6 | C5 | C4 | 179.1° | 179.7° |
| C6 | N6 | H2 | H3 | 180.0° | 180.0° |
| N6 | C6 | C5 | H4 | 59.8° | 58.2° |
| N6 | C6 | C5 | H5 | 58.1° | 58.3° |
| C6 | C5 | C4 | N3 | 3.5° | 0.3° |
| C6 | C5 | C4 | H4 | 121.1° | 121.9° |
| C6 | C5 | C4 | H5 | 121.1° | 121.5° |
| C6 | C5 | C4 | O4 | 173.5° | 179.7° |
| C5 | C6 | N6 | H2 | 177.4° | 180.0° |
| C5 | C6 | N6 | H3 | 2.6° | 0.0° |
| C6 | C5 | H4 | H5 | 116.6° | 116.6° |
| N3 | C4 | C5 | O4 | 177.0° | 180.0° |
| N3 | C4 | C5 | H4 | 124.6° | 121.6° |
| N3 | C4 | C5 | H5 | 117.6° | 121.8° |
| C5 | C4 | N3 | H1 | 175.3° | 179.9° |
| C4 | C5 | H4 | H5 | 116.6° | 116.7° |
| O4 | C4 | N3 | H1 | 7.4° | 0.1° |
| O4 | C4 | C5 | H4 | 52.4° | 58.4° |
| O4 | C4 | C5 | H5 | 65.4° | 58.2° |
