JG8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C9 | doub | 1.22Å | 1.23Å | |
| C9 | N1 | sing | 1.35Å | 1.37Å | |
| C9 | C | sing | 1.41Å | 1.42Å | |
| N1 | C8 | sing | 1.36Å | 1.34Å | |
| C8 | N | doub | 1.30Å | 1.29Å | |
| N | C1 | sing | 1.34Å | 1.37Å | |
| C1 | C | doub | 1.39Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.47Å | 1.45Å | Aromatic |
| C | O | sing | 1.35Å | 1.38Å | Aromatic |
| O | C7 | sing | 1.35Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C9 | N1 | 120.9° | 120.7° |
| O1 | C9 | C | 125.2° | 120.8° |
| N1 | C9 | C | 113.9° | 118.5° |
| C9 | N1 | C8 | 124.2° | 120.5° |
| C9 | N1 | H1 | 117.9° | 119.7° |
| C9 | C | C1 | 116.2° | 118.1° |
| C9 | C | O | 130.3° | 133.0° |
| N1 | C8 | N | 125.1° | 121.8° |
| C8 | N1 | H1 | 117.9° | 119.8° |
| N1 | C8 | H8 | 117.5° | 119.1° |
| C8 | N | C1 | 111.7° | 121.2° |
| N | C8 | H8 | 117.4° | 119.1° |
| N | C1 | C | 128.9° | 120.0° |
| N | C1 | C2 | 126.9° | 134.3° |
| C | C1 | C2 | 104.2° | 105.7° |
| C1 | C | O | 113.5° | 108.9° |
| C1 | C2 | C7 | 106.8° | 105.7° |
| C1 | C2 | C3 | 134.9° | 134.0° |
| C | O | C7 | 104.9° | 111.4° |
| O | C7 | C2 | 110.6° | 108.2° |
| O | C7 | C6 | 126.3° | 132.6° |
| C2 | C7 | C6 | 123.1° | 119.2° |
| C7 | C2 | C3 | 118.3° | 120.2° |
| C7 | C6 | C5 | 117.7° | 120.1° |
| C7 | C6 | H6 | 121.2° | 120.0° |
| C2 | C3 | C4 | 119.5° | 119.7° |
| C2 | C3 | H3 | 120.2° | 120.2° |
| C6 | C5 | C4 | 120.6° | 120.6° |
| C5 | C6 | H6 | 121.2° | 119.9° |
| C6 | C5 | H5 | 119.7° | 119.7° |
| C5 | C4 | C3 | 120.8° | 120.2° |
| C4 | C5 | H5 | 119.7° | 119.7° |
| C5 | C4 | H4 | 119.6° | 119.9° |
| C4 | C3 | H3 | 120.3° | 120.1° |
| C3 | C4 | H4 | 119.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C9 | N1 | C | 179.6° | 179.7° |
| O1 | C9 | N1 | C8 | 179.6° | 180.0° |
| O1 | C9 | C | C1 | 179.6° | 179.8° |
| O1 | C9 | C | O | 0.0° | 0.1° |
| O1 | C9 | N1 | H1 | 0.4° | 0.0° |
| C9 | N1 | C8 | H1 | 180.0° | 180.0° |
| C9 | N1 | C8 | N | 0.0° | 0.0° |
| N1 | C9 | C | C1 | 0.0° | 0.5° |
| N1 | C9 | C | O | 179.6° | 179.7° |
| C9 | N1 | C8 | H8 | 180.0° | 180.0° |
| C | C9 | N1 | C8 | 0.0° | 0.2° |
| C9 | C | C1 | N | 0.1° | 0.5° |
| C9 | C | C1 | O | 179.6° | 179.9° |
| C9 | C | C1 | C2 | 179.5° | 179.7° |
| C9 | C | O | C7 | 179.4° | 179.9° |
| C | C9 | N1 | H1 | 180.0° | 179.8° |
| N1 | C8 | N | H8 | 180.0° | 179.9° |
| N1 | C8 | N | C1 | 0.1° | 0.0° |
| C8 | N | C1 | C | 0.2° | 0.2° |
| C8 | N | C1 | C2 | 179.4° | 180.0° |
| N | C8 | N1 | H1 | 180.0° | 180.0° |
| N | C1 | C | C2 | 179.6° | 179.8° |
| N | C1 | C | O | 179.7° | 179.6° |
| N | C1 | C2 | C7 | 179.7° | 179.3° |
| N | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | N | C8 | H8 | 179.9° | 180.0° |
| C1 | C | O | C7 | 0.1° | 0.2° |
| C | C1 | C2 | C7 | 0.1° | 0.5° |
| C | C1 | C2 | C3 | 179.8° | 179.8° |
| C2 | C1 | C | O | 0.1° | 0.2° |
| C1 | C2 | C7 | O | 0.0° | 0.6° |
| C1 | C2 | C7 | C3 | 179.9° | 179.4° |
| C1 | C2 | C7 | C6 | 179.7° | 179.8° |
| C1 | C2 | C3 | C4 | 179.7° | 178.9° |
| C1 | C2 | C3 | H3 | 0.2° | 0.0° |
| C | O | C7 | C2 | 0.1° | 0.5° |
| C | O | C7 | C6 | 179.7° | 180.0° |
| O | C7 | C2 | C6 | 179.8° | 179.5° |
| O | C7 | C2 | C3 | 179.9° | 180.0° |
| O | C7 | C6 | C5 | 179.8° | 180.0° |
| O | C7 | C6 | H6 | 0.2° | 0.1° |
| C2 | C7 | C6 | C5 | 0.1° | 0.6° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C2 | C7 | C6 | H6 | 179.9° | 179.4° |
| C7 | C2 | C3 | H3 | 179.9° | 179.2° |
| C6 | C7 | C2 | C3 | 0.1° | 0.5° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.9° |
| C2 | C3 | C4 | H3 | 180.0° | 178.9° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.8° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.2° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | H5 | 179.9° | 179.2° |
| H1 | N1 | C8 | H8 | 0.0° | 0.1° |
| H6 | C6 | C5 | H5 | 0.1° | 0.0° |
| H3 | C3 | C4 | H4 | 0.0° | 1.0° |
| H5 | C5 | C4 | H4 | 0.1° | 0.0° |
