VRC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | N | doub | 1.22Å | 1.19Å | |
| N | O1 | doub | 1.22Å | 1.20Å | |
| N | C5 | sing | 1.47Å | 1.45Å | |
| C4 | C5 | sing | 1.50Å | 1.38Å | |
| C4 | C3 | doub | 1.32Å | 1.38Å | |
| C5 | C | sing | 1.50Å | 1.40Å | |
| C6 | C3 | sing | 1.51Å | 1.49Å | |
| C6 | N1 | sing | 1.47Å | 1.54Å | |
| C3 | C2 | sing | 1.48Å | 1.43Å | |
| C | C1 | doub | 1.33Å | 1.35Å | |
| C2 | C1 | sing | 1.48Å | 1.42Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | N | O1 | 122.0° | 120.0° |
| O | N | C5 | 119.5° | 120.0° |
| O1 | N | C5 | 118.5° | 120.0° |
| N | C5 | C4 | 119.8° | 108.7° |
| N | C5 | C | 118.8° | 108.8° |
| N | C5 | H5 | 90.0° | 108.7° |
| C5 | C4 | C3 | 119.3° | 123.1° |
| C4 | C5 | C | 121.4° | 113.0° |
| C4 | C5 | H5 | 90.0° | 108.8° |
| C5 | C4 | H8 | 120.3° | 118.5° |
| C4 | C3 | C6 | 120.6° | 120.3° |
| C4 | C3 | C2 | 120.5° | 119.5° |
| C3 | C4 | H8 | 120.4° | 118.5° |
| C5 | C | C1 | 119.8° | 123.1° |
| C | C5 | H5 | 90.0° | 108.8° |
| C5 | C | H9 | 120.1° | 118.5° |
| C3 | C6 | N1 | 108.3° | 109.5° |
| C6 | C3 | C2 | 118.9° | 120.2° |
| C3 | C6 | H6 | 109.8° | 109.5° |
| C3 | C6 | H7 | 109.8° | 109.5° |
| C6 | N1 | H1 | 109.5° | 111.1° |
| C6 | N1 | H2 | 109.4° | 111.0° |
| N1 | C6 | H6 | 109.8° | 109.4° |
| N1 | C6 | H7 | 109.7° | 109.5° |
| C3 | C2 | C1 | 118.2° | 117.7° |
| C3 | C2 | O2 | 120.3° | 121.1° |
| C | C1 | C2 | 120.8° | 119.4° |
| C | C1 | H4 | 119.6° | 120.4° |
| C1 | C | H9 | 120.1° | 118.5° |
| C1 | C2 | O2 | 121.5° | 121.2° |
| C2 | C1 | H4 | 119.6° | 120.2° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H6 | C6 | H7 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | N | O1 | C5 | 178.2° | 179.9° |
| O | N | C5 | C4 | 2.0° | 63.4° |
| O | N | C5 | C | 178.0° | 60.1° |
| O | N | C5 | H5 | 88.0° | 178.4° |
| O1 | N | C5 | C4 | 176.2° | 116.5° |
| O1 | N | C5 | C | 3.7° | 120.0° |
| O1 | N | C5 | H5 | 93.8° | 1.7° |
| N | C5 | C4 | C | 179.9° | 120.9° |
| N | C5 | C4 | H5 | 90.0° | 118.2° |
| N | C5 | C4 | C3 | 179.4° | 137.2° |
| N | C5 | C | H5 | 90.0° | 118.2° |
| N | C5 | C | C1 | 179.6° | 137.5° |
| N | C5 | C4 | H8 | 0.6° | 42.4° |
| N | C5 | C | H9 | 0.4° | 42.5° |
| C5 | C4 | C3 | H8 | 180.0° | 179.7° |
| C4 | C5 | C | H5 | 90.0° | 120.9° |
| C5 | C4 | C3 | C6 | 179.9° | 179.4° |
| C5 | C4 | C3 | C2 | 0.2° | 0.3° |
| C4 | C5 | C | C1 | 0.4° | 16.6° |
| C4 | C5 | C | H9 | 179.6° | 163.3° |
| C3 | C4 | C5 | C | 0.6° | 16.4° |
| C4 | C3 | C6 | C2 | 179.9° | 179.7° |
| C4 | C3 | C6 | N1 | 109.7° | 95.0° |
| C4 | C3 | C2 | C1 | 0.3° | 16.6° |
| C4 | C3 | C2 | O2 | 179.4° | 163.3° |
| C3 | C4 | C5 | H5 | 90.6° | 104.6° |
| C4 | C3 | C6 | H6 | 10.1° | 25.0° |
| C4 | C3 | C6 | H7 | 130.4° | 145.0° |
| C5 | C | C1 | H9 | 180.0° | 180.0° |
| C5 | C | C1 | C2 | 0.2° | 0.8° |
| C5 | C | C1 | H4 | 179.8° | 179.3° |
| C | C5 | C4 | H8 | 179.5° | 163.3° |
| C3 | C6 | N1 | H6 | 119.8° | 120.0° |
| C3 | C6 | N1 | H7 | 119.8° | 120.1° |
| C6 | C3 | C2 | C1 | 179.6° | 163.7° |
| C6 | C3 | C2 | O2 | 0.6° | 16.4° |
| C3 | C6 | N1 | H1 | 180.0° | 180.0° |
| C3 | C6 | N1 | H2 | 60.0° | 56.0° |
| C3 | C6 | H6 | H7 | 120.5° | 120.0° |
| C6 | C3 | C4 | H8 | 0.1° | 1.0° |
| N1 | C6 | C3 | C2 | 70.3° | 84.7° |
| C6 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C6 | H6 | H7 | 120.5° | 120.0° |
| C3 | C2 | C1 | C | 0.5° | 16.3° |
| C3 | C2 | C1 | O2 | 179.8° | 180.0° |
| C3 | C2 | C1 | H4 | 179.5° | 163.5° |
| C2 | C3 | C6 | H6 | 169.8° | 155.3° |
| C2 | C3 | C6 | H7 | 49.5° | 35.3° |
| C2 | C3 | C4 | H8 | 179.8° | 179.3° |
| C | C1 | C2 | H4 | 180.0° | 179.8° |
| C | C1 | C2 | O2 | 179.2° | 163.6° |
| C1 | C | C5 | H5 | 90.4° | 104.3° |
| C2 | C1 | C | H9 | 179.8° | 179.1° |
| O2 | C2 | C1 | H4 | 0.8° | 16.6° |
| H1 | N1 | C6 | H6 | 60.1° | 60.0° |
| H1 | N1 | C6 | H7 | 60.2° | 59.9° |
| H2 | N1 | C6 | H6 | 179.8° | 64.0° |
| H2 | N1 | C6 | H7 | 59.8° | 176.0° |
| H4 | C1 | C | H9 | 0.2° | 0.7° |
| H5 | C5 | C4 | H8 | 89.4° | 75.8° |
| H5 | C5 | C | H9 | 89.6° | 75.8° |
