FYU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM5 | O3 | doub | 1.21Å | 1.23Å | |
| CM5 | C5 | sing | 1.46Å | 1.40Å | |
| O4 | C4 | doub | 1.22Å | 1.23Å | |
| C5 | C4 | sing | 1.47Å | 1.39Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| C6 | N1 | sing | 1.36Å | 1.32Å | |
| N3 | C2 | sing | 1.34Å | 1.40Å | |
| N1 | C2 | sing | 1.34Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| CM5 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | CM5 | C5 | 121.0° | 120.0° |
| O3 | CM5 | H4 | 119.5° | 120.0° |
| CM5 | C5 | C4 | 120.8° | 121.0° |
| CM5 | C5 | C6 | 119.4° | 121.0° |
| C5 | CM5 | H4 | 119.5° | 120.0° |
| O4 | C4 | C5 | 121.5° | 120.8° |
| O4 | C4 | N3 | 119.5° | 120.8° |
| C4 | C5 | C6 | 119.8° | 118.0° |
| C5 | C4 | N3 | 119.0° | 118.4° |
| C5 | C6 | N1 | 121.4° | 119.3° |
| C5 | C6 | H3 | 119.3° | 120.3° |
| C4 | N3 | C2 | 119.6° | 120.5° |
| C4 | N3 | H1 | 120.2° | 119.7° |
| C6 | N1 | C2 | 120.9° | 121.5° |
| N1 | C6 | H3 | 119.3° | 120.4° |
| C6 | N1 | H5 | 119.6° | 119.2° |
| N3 | C2 | N1 | 119.4° | 122.2° |
| N3 | C2 | O2 | 120.5° | 118.9° |
| C2 | N3 | H1 | 120.2° | 119.8° |
| N1 | C2 | O2 | 120.0° | 118.9° |
| C2 | N1 | H5 | 119.5° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | CM5 | C5 | H4 | 180.0° | 180.0° |
| O3 | CM5 | C5 | C4 | 134.0° | 0.0° |
| O3 | CM5 | C5 | C6 | 46.1° | 179.2° |
| CM5 | C5 | C4 | O4 | 0.0° | 0.6° |
| CM5 | C5 | C4 | C6 | 179.8° | 179.2° |
| CM5 | C5 | C4 | N3 | 179.8° | 180.0° |
| CM5 | C5 | C6 | N1 | 179.9° | 179.8° |
| CM5 | C5 | C6 | H3 | 0.1° | 0.2° |
| O4 | C4 | C5 | N3 | 179.7° | 179.4° |
| O4 | C4 | C5 | C6 | 179.8° | 179.8° |
| O4 | C4 | N3 | C2 | 179.9° | 180.0° |
| O4 | C4 | N3 | H1 | 0.1° | 0.1° |
| C4 | C5 | C6 | N1 | 0.3° | 0.5° |
| C5 | C4 | N3 | C2 | 0.4° | 0.6° |
| C5 | C4 | N3 | H1 | 179.6° | 179.5° |
| C4 | C5 | C6 | H3 | 179.7° | 179.5° |
| C4 | C5 | CM5 | H4 | 46.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.8° |
| C5 | C6 | N1 | H3 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C6 | C5 | CM5 | H4 | 133.8° | 0.8° |
| C5 | C6 | N1 | H5 | 179.7° | 179.7° |
| C4 | N3 | C2 | H1 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.4° | 0.1° |
| C4 | N3 | C2 | O2 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.2° |
| C6 | N1 | C2 | H5 | 180.0° | 179.7° |
| C6 | N1 | C2 | O2 | 179.7° | 179.7° |
| N3 | C2 | N1 | O2 | 179.6° | 179.9° |
| N3 | C2 | N1 | H5 | 179.9° | 179.9° |
| N1 | C2 | N3 | H1 | 179.6° | 180.0° |
| C2 | N1 | C6 | H3 | 179.7° | 180.0° |
| O2 | C2 | N3 | H1 | 0.0° | 0.1° |
| O2 | C2 | N1 | H5 | 0.3° | 0.0° |
| H3 | C6 | N1 | H5 | 0.3° | 0.3° |
