VYZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N1 | doub | 1.22Å | 1.20Å | |
| O1 | N1 | doub | 1.22Å | 1.20Å | |
| N1 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N | sing | 1.40Å | 1.40Å | |
| N | C1 | sing | 1.35Å | 1.39Å | |
| O | C1 | doub | 1.21Å | 1.21Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N1 | O1 | 122.7° | 120.0° |
| O2 | N1 | C5 | 118.4° | 120.0° |
| O1 | N1 | C5 | 118.9° | 120.0° |
| N1 | C5 | C4 | 118.4° | 119.9° |
| N1 | C5 | C6 | 120.0° | 119.9° |
| C4 | C5 | C6 | 121.7° | 120.2° |
| C5 | C4 | C3 | 119.1° | 120.1° |
| C5 | C4 | H3 | 120.4° | 120.0° |
| C5 | C6 | C7 | 119.4° | 120.1° |
| C5 | C6 | H2 | 120.3° | 120.0° |
| C4 | C3 | C2 | 120.4° | 119.9° |
| C3 | C4 | H3 | 120.4° | 119.9° |
| C4 | C3 | H4 | 119.8° | 120.0° |
| C6 | C7 | C2 | 119.4° | 119.9° |
| C6 | C7 | H1 | 120.3° | 120.0° |
| C7 | C6 | H2 | 120.3° | 120.0° |
| C3 | C2 | C7 | 120.0° | 119.8° |
| C3 | C2 | N | 117.4° | 120.1° |
| C2 | C3 | H4 | 119.8° | 120.0° |
| C7 | C2 | N | 122.6° | 120.1° |
| C2 | C7 | H1 | 120.3° | 120.0° |
| C2 | N | C1 | 125.0° | 120.0° |
| C2 | N | H5 | 117.5° | 120.0° |
| N | C1 | O | 121.8° | 120.0° |
| N | C1 | C | 114.6° | 120.0° |
| C1 | N | H5 | 117.5° | 120.0° |
| O | C1 | C | 123.5° | 120.0° |
| C1 | C | H6 | 109.5° | 109.4° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.4° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N1 | O1 | C5 | 179.9° | 179.7° |
| O2 | N1 | C5 | C4 | 0.0° | 179.7° |
| O2 | N1 | C5 | C6 | 179.6° | 0.3° |
| O1 | N1 | C5 | C4 | 179.9° | 0.0° |
| O1 | N1 | C5 | C6 | 0.4° | 180.0° |
| N1 | C5 | C4 | C6 | 179.6° | 180.0° |
| N1 | C5 | C4 | C3 | 179.1° | 179.7° |
| N1 | C5 | C6 | C7 | 179.2° | 180.0° |
| N1 | C5 | C6 | H2 | 0.8° | 0.0° |
| N1 | C5 | C4 | H3 | 0.9° | 0.1° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.6° |
| C4 | C5 | C6 | H2 | 179.6° | 180.0° |
| C5 | C4 | C3 | H4 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.3° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.0° | 0.0° |
| C5 | C6 | C7 | H1 | 180.0° | 179.7° |
| C6 | C5 | C4 | H3 | 179.5° | 180.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.5° |
| C4 | C3 | C2 | C7 | 0.3° | 0.6° |
| C4 | C3 | C2 | N | 179.3° | 179.5° |
| C6 | C7 | C2 | C3 | 0.4° | 0.3° |
| C6 | C7 | C2 | H1 | 180.0° | 179.7° |
| C6 | C7 | C2 | N | 179.2° | 179.8° |
| C3 | C2 | C7 | N | 179.6° | 179.9° |
| C3 | C2 | N | C1 | 171.5° | 144.9° |
| C3 | C2 | C7 | H1 | 179.6° | 180.0° |
| C2 | C3 | C4 | H3 | 179.9° | 179.8° |
| C3 | C2 | N | H5 | 8.6° | 35.2° |
| C7 | C2 | N | C1 | 8.9° | 35.0° |
| C2 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C2 | C3 | H4 | 179.7° | 180.0° |
| C7 | C2 | N | H5 | 171.0° | 144.9° |
| C2 | N | C1 | H5 | 180.0° | 179.9° |
| C2 | N | C1 | O | 0.0° | 4.6° |
| C2 | N | C1 | C | 180.0° | 175.4° |
| N | C2 | C7 | H1 | 0.8° | 0.1° |
| N | C2 | C3 | H4 | 0.7° | 0.0° |
| N | C1 | O | C | 179.9° | 179.9° |
| N | C1 | C | H6 | 179.9° | 0.1° |
| N | C1 | C | H7 | 59.9° | 120.0° |
| N | C1 | C | H8 | 60.0° | 119.9° |
| O | C1 | N | H5 | 179.9° | 175.4° |
| O | C1 | C | H6 | 0.0° | 180.0° |
| O | C1 | C | H7 | 120.0° | 60.0° |
| O | C1 | C | H8 | 120.0° | 60.0° |
| C | C1 | N | H5 | 0.0° | 4.7° |
| C1 | C | H6 | H7 | 120.0° | 119.9° |
| C1 | C | H6 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| H1 | C7 | C6 | H2 | 0.0° | 0.3° |
| H3 | C4 | C3 | H4 | 0.1° | 0.3° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
