CYT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C4 | N4 | sing | 1.37Å | 1.39Å | |
| C4 | C5 | doub | 1.34Å | 1.43Å | Aromatic |
| N1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.29Å | 1.43Å | Aromatic |
| C2 | O2 | doub | 1.23Å | 1.25Å | |
| N4 | HN41 | sing | 0.99Å | 1.00Å | |
| N4 | HN42 | sing | 0.99Å | 1.00Å | |
| C5 | C6 | sing | 1.47Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.10Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N3 | C2 | 121.7° | 123.2° |
| C4 | N3 | HN3 | 119.2° | 117.7° |
| N3 | C4 | N4 | 120.1° | 119.2° |
| N3 | C4 | C5 | 120.5° | 120.3° |
| C2 | N3 | HN3 | 119.1° | 119.1° |
| N3 | C2 | N1 | 119.5° | 117.8° |
| N3 | C2 | O2 | 119.8° | 120.3° |
| N4 | C4 | C5 | 119.4° | 120.5° |
| C4 | N4 | HN41 | 109.5° | 118.3° |
| C4 | N4 | HN42 | 109.5° | 118.3° |
| C4 | C5 | C6 | 117.6° | 114.7° |
| C4 | C5 | H5 | 121.2° | 125.2° |
| C2 | N1 | C6 | 119.9° | 118.2° |
| N1 | C2 | O2 | 120.6° | 121.9° |
| N1 | C6 | C5 | 120.8° | 125.7° |
| N1 | C6 | H6 | 119.6° | 119.0° |
| HN41 | N4 | HN42 | 109.4° | 123.4° |
| C6 | C5 | H5 | 121.2° | 120.1° |
| C5 | C6 | H6 | 119.6° | 115.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N3 | C2 | HN3 | 180.0° | 180.0° |
| N3 | C4 | N4 | C5 | 179.3° | 179.9° |
| C4 | N3 | C2 | N1 | 1.1° | 0.0° |
| C4 | N3 | C2 | O2 | 179.6° | 180.0° |
| N3 | C4 | N4 | HN41 | 43.2° | 141.3° |
| N3 | C4 | N4 | HN42 | 76.8° | 38.6° |
| N3 | C4 | C5 | C6 | 0.8° | 0.1° |
| N3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C2 | N3 | C4 | N4 | 179.7° | 179.9° |
| C2 | N3 | C4 | C5 | 1.0° | 0.0° |
| N3 | C2 | N1 | O2 | 179.3° | 180.0° |
| N3 | C2 | N1 | C6 | 1.0° | 0.0° |
| HN3 | N3 | C4 | N4 | 0.3° | 0.1° |
| HN3 | N3 | C4 | C5 | 179.0° | 180.0° |
| HN3 | N3 | C2 | N1 | 178.9° | 180.0° |
| HN3 | N3 | C2 | O2 | 0.4° | 0.0° |
| C4 | N4 | HN41 | HN42 | 120.0° | 179.9° |
| N4 | C4 | C5 | C6 | 179.9° | 179.9° |
| N4 | C4 | C5 | H5 | 0.1° | 0.1° |
| C4 | C5 | C6 | N1 | 0.7° | 0.1° |
| C5 | C4 | N4 | HN41 | 137.5° | 38.8° |
| C5 | C4 | N4 | HN42 | 102.5° | 141.3° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 179.9° |
| C2 | N1 | C6 | C5 | 0.8° | 0.0° |
| C2 | N1 | C6 | H6 | 179.2° | 179.9° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 179.3° | 180.0° |
| H5 | C5 | C6 | H6 | 0.7° | 0.1° |
