JOJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL11 | C10 | sing | 1.74Å | 1.38Å | |
| N01 | C02 | sing | 1.35Å | 1.37Å | |
| C04 | C02 | sing | 1.51Å | 1.63Å | |
| C04 | N05 | sing | 1.46Å | 1.30Å | |
| C02 | S03 | doub | 1.60Å | 1.56Å | |
| C10 | N05 | sing | 1.37Å | 1.28Å | Aromatic |
| C10 | C08 | doub | 1.35Å | 1.31Å | Aromatic |
| N05 | C06 | sing | 1.35Å | 1.31Å | Aromatic |
| C08 | CL09 | sing | 1.74Å | 1.72Å | |
| C08 | N07 | sing | 1.34Å | 1.42Å | Aromatic |
| C06 | N07 | doub | 1.30Å | 1.30Å | Aromatic |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL11 | C10 | N05 | 117.9° | 126.6° |
| CL11 | C10 | C08 | 130.1° | 126.6° |
| N01 | C02 | C04 | 109.4° | 120.0° |
| N01 | C02 | S03 | 122.8° | 120.0° |
| C02 | N01 | H011 | 120.0° | 120.1° |
| C02 | N01 | H012 | 120.0° | 120.0° |
| C02 | C04 | N05 | 111.3° | 109.5° |
| C04 | C02 | S03 | 127.6° | 120.0° |
| C02 | C04 | H041 | 109.0° | 109.5° |
| C02 | C04 | H042 | 109.0° | 109.5° |
| C04 | N05 | C10 | 123.7° | 126.4° |
| C04 | N05 | C06 | 128.1° | 126.4° |
| N05 | C04 | H041 | 109.0° | 109.5° |
| N05 | C04 | H042 | 109.0° | 109.5° |
| N05 | C10 | C08 | 111.9° | 106.8° |
| C10 | N05 | C06 | 107.8° | 107.2° |
| C10 | C08 | CL09 | 127.4° | 126.0° |
| C10 | C08 | N07 | 104.2° | 108.0° |
| N05 | C06 | N07 | 110.1° | 108.8° |
| N05 | C06 | H061 | 124.9° | 125.7° |
| CL09 | C08 | N07 | 128.4° | 126.0° |
| C08 | N07 | C06 | 105.8° | 109.3° |
| N07 | C06 | H061 | 125.0° | 125.6° |
| H011 | N01 | H012 | 120.0° | 120.0° |
| H041 | C04 | H042 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL11 | C10 | N05 | C04 | 1.9° | 0.3° |
| CL11 | C10 | N05 | C08 | 177.9° | 179.7° |
| CL11 | C10 | N05 | C06 | 175.7° | 179.7° |
| CL11 | C10 | C08 | CL09 | 2.1° | 0.3° |
| CL11 | C10 | C08 | N07 | 177.1° | 179.7° |
| N01 | C02 | C04 | S03 | 175.6° | 180.0° |
| N01 | C02 | C04 | N05 | 140.0° | 180.0° |
| C02 | N01 | H011 | H012 | 180.0° | 180.0° |
| N01 | C02 | C04 | H041 | 19.7° | 60.0° |
| N01 | C02 | C04 | H042 | 99.7° | 60.0° |
| C02 | C04 | N05 | H041 | 120.3° | 120.0° |
| C02 | C04 | N05 | H042 | 120.3° | 120.0° |
| C02 | C04 | N05 | C10 | 94.5° | 85.0° |
| C02 | C04 | N05 | C06 | 78.1° | 95.0° |
| C04 | C02 | N01 | H011 | 175.8° | 180.0° |
| C04 | C02 | N01 | H012 | 4.2° | 0.0° |
| C02 | C04 | H041 | H042 | 119.2° | 120.0° |
| N05 | C04 | C02 | S03 | 35.6° | 0.0° |
| C04 | N05 | C10 | C06 | 173.8° | 180.0° |
| C04 | N05 | C10 | C08 | 176.0° | 180.0° |
| C04 | N05 | C06 | N07 | 176.6° | 180.0° |
| N05 | C04 | H041 | H042 | 119.2° | 120.0° |
| C04 | N05 | C06 | H061 | 3.3° | 0.1° |
| S03 | C02 | N01 | H011 | 0.0° | 0.0° |
| S03 | C02 | N01 | H012 | 180.0° | 180.0° |
| S03 | C02 | C04 | H041 | 155.8° | 120.0° |
| S03 | C02 | C04 | H042 | 84.7° | 120.0° |
| N05 | C10 | C08 | CL09 | 179.6° | 180.0° |
| N05 | C10 | C08 | N07 | 0.4° | 0.0° |
| C10 | N05 | C06 | N07 | 3.2° | 0.0° |
| C10 | N05 | C04 | H041 | 145.3° | 35.0° |
| C10 | N05 | C04 | H042 | 25.8° | 155.0° |
| C10 | N05 | C06 | H061 | 176.8° | 179.9° |
| C08 | C10 | N05 | C06 | 2.2° | 0.0° |
| C10 | C08 | CL09 | N07 | 179.0° | 180.0° |
| C10 | C08 | N07 | C06 | 1.5° | 0.0° |
| N05 | C06 | N07 | C08 | 2.9° | 0.0° |
| N05 | C06 | N07 | H061 | 180.0° | 179.9° |
| C06 | N05 | C04 | H041 | 42.2° | 145.0° |
| C06 | N05 | C04 | H042 | 161.7° | 25.0° |
| CL09 | C08 | N07 | C06 | 177.7° | 180.0° |
| C08 | N07 | C06 | H061 | 177.1° | 179.9° |
