LUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.36Å | |
| N1 | C10 | sing | 1.38Å | 1.34Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.34Å | 1.34Å | |
| C10 | C4A | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | N10 | sing | 1.33Å | 1.36Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.34Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4 | C4A | sing | 1.48Å | 1.42Å | |
| C4A | N5 | sing | 1.33Å | 1.36Å | Aromatic |
| N5 | C5A | doub | 1.32Å | 1.36Å | Aromatic |
| C5A | C9A | sing | 1.39Å | 1.41Å | Aromatic |
| C9A | N10 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C5A | H5A | sing | 1.08Å | 1.08Å | |
| C9A | H9A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C10 | 121.0° | 120.8° |
| N1 | C2 | O2 | 121.0° | 118.6° |
| N1 | C2 | N3 | 121.9° | 122.9° |
| C2 | N1 | HN1 | 119.5° | 119.6° |
| N1 | C10 | C4A | 118.7° | 118.8° |
| N1 | C10 | N10 | 119.7° | 121.5° |
| C10 | N1 | HN1 | 119.5° | 119.6° |
| O2 | C2 | N3 | 117.1° | 118.6° |
| C2 | N3 | C4 | 119.9° | 121.1° |
| C2 | N3 | HN3 | 120.0° | 119.4° |
| C4A | C10 | N10 | 121.6° | 119.7° |
| C10 | C4A | C4 | 118.2° | 118.2° |
| C10 | C4A | N5 | 120.1° | 120.2° |
| C10 | N10 | C9A | 117.8° | 119.7° |
| N3 | C4 | O4 | 116.4° | 120.8° |
| N3 | C4 | C4A | 120.4° | 118.3° |
| C4 | N3 | HN3 | 120.1° | 119.5° |
| O4 | C4 | C4A | 123.3° | 120.9° |
| C4 | C4A | N5 | 121.7° | 121.7° |
| C4A | N5 | C5A | 118.6° | 119.5° |
| N5 | C5A | C9A | 120.6° | 120.4° |
| N5 | C5A | H5A | 119.7° | 119.8° |
| C5A | C9A | N10 | 121.3° | 120.5° |
| C9A | C5A | H5A | 119.7° | 119.8° |
| C5A | C9A | H9A | 119.4° | 119.8° |
| N10 | C9A | H9A | 119.3° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C10 | HN1 | 180.0° | 179.7° |
| N1 | C2 | O2 | N3 | 179.6° | 180.0° |
| C2 | N1 | C10 | C4A | 0.1° | 0.0° |
| C2 | N1 | C10 | N10 | 179.1° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| N1 | C2 | N3 | HN3 | 179.7° | 180.0° |
| C10 | N1 | C2 | O2 | 179.6° | 180.0° |
| C10 | N1 | C2 | N3 | 0.0° | 0.0° |
| N1 | C10 | C4A | N10 | 179.0° | 180.0° |
| N1 | C10 | C4A | C4 | 0.6° | 0.1° |
| N1 | C10 | C4A | N5 | 179.9° | 179.9° |
| N1 | C10 | N10 | C9A | 179.6° | 180.0° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2 | C2 | N1 | HN1 | 0.4° | 0.3° |
| O2 | C2 | N3 | HN3 | 0.1° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 178.1° | 179.9° |
| C2 | N3 | C4 | C4A | 0.7° | 0.0° |
| N3 | C2 | N1 | HN1 | 180.0° | 179.7° |
| C10 | C4A | C4 | N3 | 0.8° | 0.1° |
| C10 | C4A | C4 | O4 | 177.8° | 179.9° |
| C10 | C4A | C4 | N5 | 179.4° | 179.9° |
| C10 | C4A | N5 | C5A | 0.2° | 0.1° |
| C4A | C10 | N10 | C9A | 0.6° | 0.0° |
| C4A | C10 | N1 | HN1 | 179.8° | 179.7° |
| N10 | C10 | C4A | C4 | 179.5° | 180.0° |
| N10 | C10 | C4A | N5 | 1.1° | 0.1° |
| C10 | N10 | C9A | C5A | 0.7° | 0.0° |
| N10 | C10 | N1 | HN1 | 0.9° | 0.3° |
| C10 | N10 | C9A | H9A | 179.3° | 179.9° |
| N3 | C4 | O4 | C4A | 178.7° | 180.0° |
| N3 | C4 | C4A | N5 | 179.8° | 179.9° |
| O4 | C4 | C4A | N5 | 1.5° | 0.0° |
| O4 | C4 | N3 | HN3 | 1.9° | 0.1° |
| C4 | C4A | N5 | C5A | 179.5° | 180.0° |
| C4A | C4 | N3 | HN3 | 179.3° | 180.0° |
| C4A | N5 | C5A | C9A | 1.1° | 0.0° |
| C4A | N5 | C5A | H5A | 178.9° | 180.0° |
| N5 | C5A | C9A | H5A | 180.0° | 179.9° |
| N5 | C5A | C9A | N10 | 1.6° | 0.0° |
| N5 | C5A | C9A | H9A | 178.4° | 179.9° |
| C5A | C9A | N10 | H9A | 180.0° | 179.9° |
| N10 | C9A | C5A | H5A | 178.4° | 179.9° |
| H5A | C5A | C9A | H9A | 1.6° | 0.0° |
