JG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C09 | sing | 1.34Å | 1.25Å | Aromatic |
| N10 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| S04 | C05 | sing | 1.76Å | 1.65Å | Aromatic |
| S04 | C03 | sing | 1.76Å | 1.68Å | Aromatic |
| C09 | C08 | doub | 1.35Å | 1.36Å | Aromatic |
| C05 | C01 | doub | 1.34Å | 1.31Å | Aromatic |
| C03 | C06 | sing | 1.47Å | 1.45Å | |
| C03 | C02 | doub | 1.35Å | 1.32Å | Aromatic |
| C06 | N07 | sing | 1.37Å | 1.33Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.32Å | Aromatic |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N10 | C06 | 104.9° | 109.2° |
| N10 | C09 | C08 | 113.3° | 108.4° |
| N10 | C09 | H091 | 123.4° | 125.8° |
| N10 | C06 | C03 | 125.9° | 125.9° |
| N10 | C06 | N07 | 110.9° | 108.3° |
| C05 | S04 | C03 | 90.2° | 91.0° |
| S04 | C05 | C01 | 113.9° | 109.8° |
| S04 | C05 | H051 | 123.1° | 125.1° |
| S04 | C03 | C06 | 122.8° | 125.3° |
| S04 | C03 | C02 | 112.6° | 109.5° |
| C09 | C08 | N07 | 104.3° | 107.1° |
| C09 | C08 | H081 | 127.8° | 126.4° |
| C08 | C09 | H091 | 123.3° | 125.8° |
| C05 | C01 | C02 | 111.7° | 115.1° |
| C05 | C01 | H011 | 124.1° | 122.5° |
| C01 | C05 | H051 | 123.0° | 125.1° |
| C06 | C03 | C02 | 124.6° | 125.3° |
| C03 | C06 | N07 | 123.2° | 125.9° |
| C03 | C02 | C01 | 111.6° | 114.6° |
| C03 | C02 | H021 | 124.2° | 122.7° |
| C06 | N07 | C08 | 106.5° | 106.9° |
| C06 | N07 | H071 | 126.7° | 126.5° |
| C02 | C01 | H011 | 124.2° | 122.4° |
| C01 | C02 | H021 | 124.2° | 122.7° |
| C08 | N07 | H071 | 126.7° | 126.5° |
| N07 | C08 | H081 | 127.8° | 126.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C09 | C08 | H091 | 180.0° | 179.7° |
| C09 | N10 | C06 | C03 | 179.8° | 179.9° |
| C09 | N10 | C06 | N07 | 0.4° | 0.4° |
| N10 | C09 | C08 | N07 | 2.2° | 0.3° |
| N10 | C09 | C08 | H081 | 177.8° | 179.8° |
| N10 | C06 | C03 | S04 | 19.4° | 179.7° |
| C06 | N10 | C09 | C08 | 1.6° | 0.5° |
| N10 | C06 | C03 | N07 | 179.8° | 179.7° |
| N10 | C06 | C03 | C02 | 158.7° | 0.4° |
| N10 | C06 | N07 | C08 | 0.9° | 0.2° |
| N10 | C06 | N07 | H071 | 179.1° | 179.7° |
| C06 | N10 | C09 | H091 | 178.4° | 179.8° |
| S04 | C05 | C01 | H051 | 180.0° | 179.6° |
| C05 | S04 | C03 | C06 | 179.4° | 179.8° |
| C05 | S04 | C03 | C02 | 1.0° | 0.2° |
| S04 | C05 | C01 | C02 | 0.7° | 0.5° |
| S04 | C05 | C01 | H011 | 179.3° | 179.9° |
| C03 | S04 | C05 | C01 | 1.0° | 0.4° |
| S04 | C03 | C06 | C02 | 178.1° | 180.0° |
| S04 | C03 | C06 | N07 | 160.9° | 0.0° |
| S04 | C03 | C02 | C01 | 0.9° | 0.1° |
| S04 | C03 | C02 | H021 | 179.2° | 180.0° |
| C03 | S04 | C05 | H051 | 179.0° | 179.9° |
| C09 | C08 | N07 | C06 | 1.7° | 0.0° |
| C09 | C08 | N07 | H081 | 180.0° | 179.9° |
| C09 | C08 | N07 | H071 | 178.3° | 180.0° |
| C05 | C01 | C02 | C03 | 0.1° | 0.4° |
| C05 | C01 | C02 | H011 | 180.0° | 179.7° |
| C05 | C01 | C02 | H021 | 179.9° | 179.7° |
| C06 | C03 | C02 | C01 | 179.1° | 180.0° |
| C03 | C06 | N07 | C08 | 178.9° | 180.0° |
| C06 | C03 | C02 | H021 | 0.9° | 0.0° |
| C03 | C06 | N07 | H071 | 1.1° | 0.0° |
| C02 | C03 | C06 | N07 | 21.0° | 179.9° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | H011 | 179.9° | 180.0° |
| C06 | N07 | C08 | H071 | 180.0° | 179.9° |
| C06 | N07 | C08 | H081 | 178.3° | 179.9° |
| C02 | C01 | C05 | H051 | 179.3° | 180.0° |
| N07 | C08 | C09 | H091 | 177.8° | 180.0° |
| H011 | C01 | C02 | H021 | 0.1° | 0.0° |
| H011 | C01 | C05 | H051 | 0.7° | 0.3° |
| H071 | N07 | C08 | H081 | 1.7° | 0.1° |
| H081 | C08 | C09 | H091 | 2.2° | 0.1° |
