GOJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| N | C4 | doub | 1.30Å | 1.37Å | Aromatic |
| N1 | C5 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.45Å | |
| O | C2 | sing | 1.35Å | 1.35Å | |
| O | C1 | sing | 1.45Å | 1.40Å | |
| C2 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | C | sing | 1.53Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N | C4 | 112.5° | 108.9° |
| N | N1 | C5 | 105.8° | 108.5° |
| N | N1 | H1 | 127.1° | 125.7° |
| N | C4 | C3 | 105.4° | 108.0° |
| N | C4 | H2 | 127.3° | 126.0° |
| N1 | C5 | C3 | 109.9° | 107.4° |
| C5 | N1 | H1 | 127.1° | 125.8° |
| N1 | C5 | H3 | 125.0° | 126.3° |
| C4 | C3 | C5 | 106.4° | 107.2° |
| C4 | C3 | C2 | 128.7° | 126.4° |
| C3 | C4 | H2 | 127.3° | 126.0° |
| C5 | C3 | C2 | 124.6° | 126.4° |
| C3 | C5 | H3 | 125.0° | 126.3° |
| C3 | C2 | O | 110.4° | 120.0° |
| C3 | C2 | O1 | 128.4° | 120.0° |
| C2 | O | C1 | 120.8° | 117.0° |
| O | C2 | O1 | 121.1° | 120.0° |
| O | C1 | C | 107.7° | 109.5° |
| O | C1 | H7 | 109.9° | 109.4° |
| O | C1 | H8 | 109.9° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C | C1 | H7 | 109.9° | 109.4° |
| C | C1 | H8 | 109.9° | 109.4° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.4° | 109.4° |
| H5 | C | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | N1 | C5 | H1 | 180.0° | 179.7° |
| N1 | N | C4 | C3 | 0.5° | 0.2° |
| N | N1 | C5 | C3 | 0.7° | 0.2° |
| N1 | N | C4 | H2 | 179.4° | 179.9° |
| N | N1 | C5 | H3 | 179.3° | 179.7° |
| C4 | N | N1 | C5 | 0.1° | 0.0° |
| N | C4 | C3 | H2 | 180.0° | 179.7° |
| N | C4 | C3 | C5 | 0.9° | 0.3° |
| N | C4 | C3 | C2 | 172.9° | 180.0° |
| C4 | N | N1 | H1 | 179.9° | 179.7° |
| N1 | C5 | C3 | C4 | 1.0° | 0.3° |
| N1 | C5 | C3 | H3 | 180.0° | 179.9° |
| N1 | C5 | C3 | C2 | 173.1° | 180.0° |
| C4 | C3 | C5 | C2 | 174.1° | 179.7° |
| C4 | C3 | C2 | O | 2.9° | 0.0° |
| C4 | C3 | C2 | O1 | 173.2° | 180.0° |
| C4 | C3 | C5 | H3 | 179.0° | 179.6° |
| C5 | C3 | C2 | O | 169.8° | 179.6° |
| C5 | C3 | C2 | O1 | 14.1° | 0.4° |
| C3 | C5 | N1 | H1 | 179.3° | 179.9° |
| C5 | C3 | C4 | H2 | 179.1° | 180.0° |
| C3 | C2 | O | O1 | 176.4° | 180.0° |
| C3 | C2 | O | C1 | 175.7° | 180.0° |
| C2 | C3 | C4 | H2 | 7.2° | 0.3° |
| C2 | C3 | C5 | H3 | 6.9° | 0.1° |
| C2 | O | C1 | C | 80.6° | 180.0° |
| C2 | O | C1 | H7 | 159.6° | 60.1° |
| C2 | O | C1 | H8 | 39.1° | 60.0° |
| C1 | O | C2 | O1 | 7.9° | 0.0° |
| O | C1 | C | H7 | 119.7° | 119.9° |
| O | C1 | C | H8 | 119.7° | 120.0° |
| O | C1 | C | H4 | 180.0° | 60.0° |
| O | C1 | C | H5 | 60.0° | 60.0° |
| O | C1 | C | H6 | 60.0° | 179.9° |
| O | C1 | H7 | H8 | 120.8° | 120.1° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H6 | 120.0° | 120.1° |
| C | C1 | H7 | H8 | 120.8° | 120.0° |
| H1 | N1 | C5 | H3 | 0.7° | 0.0° |
| H4 | C | H5 | H6 | 120.0° | 119.9° |
| H4 | C | C1 | H7 | 60.3° | 59.9° |
| H4 | C | C1 | H8 | 60.3° | 180.0° |
| H5 | C | C1 | H7 | 179.7° | 179.9° |
| H5 | C | C1 | H8 | 59.7° | 60.0° |
| H6 | C | C1 | H7 | 59.7° | 60.0° |
| H6 | C | C1 | H8 | 179.8° | 60.0° |
