0FU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| NAA | C2 | sing | 1.39Å | 1.34Å | |
| N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | NAB | sing | 1.39Å | 1.31Å | |
| C6 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | NAC | sing | 1.41Å | 1.36Å | |
| C4 | O4 | sing | 1.36Å | 1.43Å | |
| NAA | H1 | sing | 0.97Å | 1.00Å | |
| NAA | H2 | sing | 0.97Å | 1.00Å | |
| NAB | H3 | sing | 0.97Å | 1.00Å | |
| NAB | H4 | sing | 0.97Å | 1.00Å | |
| NAC | H7 | sing | 0.97Å | 1.00Å | |
| NAC | H8 | sing | 0.97Å | 1.00Å | |
| O4 | H71 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N3 | 118.4° | 119.1° |
| C4 | C5 | C6 | 117.9° | 118.4° |
| C4 | C5 | NAC | 118.9° | 120.8° |
| C5 | C4 | O4 | 122.4° | 120.4° |
| C4 | N3 | C2 | 122.1° | 120.9° |
| N3 | C4 | O4 | 119.2° | 120.4° |
| N1 | C2 | N3 | 121.5° | 121.8° |
| N1 | C2 | NAA | 119.4° | 119.1° |
| C2 | N1 | C6 | 118.9° | 120.8° |
| N3 | C2 | NAA | 119.1° | 119.1° |
| C2 | NAA | H1 | 109.5° | 120.0° |
| C2 | NAA | H2 | 109.4° | 120.1° |
| N1 | C6 | NAB | 119.6° | 120.5° |
| N1 | C6 | C5 | 121.2° | 119.0° |
| NAB | C6 | C5 | 119.2° | 120.5° |
| C6 | NAB | H3 | 109.5° | 120.0° |
| C6 | NAB | H4 | 109.4° | 120.0° |
| C6 | C5 | NAC | 123.2° | 120.8° |
| C5 | NAC | H7 | 109.5° | 120.0° |
| C5 | NAC | H8 | 109.4° | 120.0° |
| C4 | O4 | H71 | 109.5° | 114.0° |
| H1 | NAA | H2 | 109.5° | 119.9° |
| H3 | NAB | H4 | 109.5° | 119.9° |
| H7 | NAC | H8 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N3 | O4 | 180.0° | 179.7° |
| C5 | C4 | N3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C6 | N1 | 0.0° | 0.1° |
| C4 | C5 | C6 | NAB | 179.9° | 180.0° |
| C4 | C5 | C6 | NAC | 179.6° | 179.7° |
| C4 | C5 | NAC | H7 | 180.0° | 0.0° |
| C4 | C5 | NAC | H8 | 60.0° | 180.0° |
| C5 | C4 | O4 | H71 | 180.0° | 90.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.1° |
| C4 | N3 | C2 | NAA | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | NAC | 179.8° | 179.7° |
| N3 | C4 | O4 | H71 | 0.0° | 89.7° |
| N1 | C2 | N3 | NAA | 179.8° | 179.9° |
| C2 | N1 | C6 | NAB | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.1° |
| N1 | C2 | NAA | H1 | 0.0° | 0.0° |
| N1 | C2 | NAA | H2 | 120.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.3° | 0.0° |
| C2 | N3 | C4 | O4 | 180.0° | 179.7° |
| N3 | C2 | NAA | H1 | 179.8° | 179.9° |
| N3 | C2 | NAA | H2 | 59.8° | 0.0° |
| NAA | C2 | N1 | C6 | 179.9° | 179.9° |
| C2 | NAA | H1 | H2 | 120.0° | 179.9° |
| N1 | C6 | NAB | C5 | 179.9° | 179.9° |
| N1 | C6 | C5 | NAC | 179.6° | 179.7° |
| N1 | C6 | NAB | H3 | 0.0° | 0.0° |
| N1 | C6 | NAB | H4 | 120.0° | 179.9° |
| NAB | C6 | C5 | NAC | 0.2° | 0.3° |
| C6 | NAB | H3 | H4 | 120.0° | 180.0° |
| C6 | C5 | C4 | O4 | 179.9° | 179.7° |
| C5 | C6 | NAB | H3 | 179.9° | 180.0° |
| C5 | C6 | NAB | H4 | 60.1° | 0.0° |
| C6 | C5 | NAC | H7 | 0.4° | 179.6° |
| C6 | C5 | NAC | H8 | 120.4° | 0.3° |
| NAC | C5 | C4 | O4 | 0.2° | 0.0° |
| C5 | NAC | H7 | H8 | 120.0° | 179.9° |
