JKP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL07 | C06 | sing | 1.74Å | 1.70Å | |
| O03 | C02 | doub | 1.21Å | 1.21Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | N08 | sing | 1.32Å | 1.33Å | Aromatic |
| C02 | C04 | sing | 1.48Å | 1.42Å | |
| C02 | O01 | sing | 1.35Å | 1.22Å | |
| C04 | C11 | doub | 1.40Å | 1.29Å | Aromatic |
| N08 | C09 | doub | 1.32Å | 1.37Å | Aromatic |
| C11 | C09 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | CL10 | sing | 1.74Å | 1.58Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL07 | C06 | C05 | 119.0° | 119.6° |
| CL07 | C06 | N08 | 114.2° | 119.6° |
| O03 | C02 | C04 | 115.5° | 120.0° |
| O03 | C02 | O01 | 126.1° | 120.0° |
| C06 | C05 | C04 | 116.9° | 119.0° |
| C05 | C06 | N08 | 126.9° | 120.8° |
| C06 | C05 | H051 | 121.6° | 120.5° |
| C05 | C04 | C02 | 120.8° | 120.9° |
| C05 | C04 | C11 | 120.0° | 118.1° |
| C04 | C05 | H051 | 121.5° | 120.5° |
| C06 | N08 | C09 | 110.0° | 122.0° |
| C04 | C02 | O01 | 118.2° | 120.0° |
| C02 | C04 | C11 | 119.1° | 121.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C04 | C11 | C09 | 118.2° | 119.1° |
| C04 | C11 | H111 | 120.9° | 120.4° |
| N08 | C09 | C11 | 128.0° | 120.9° |
| N08 | C09 | CL10 | 116.6° | 119.5° |
| C11 | C09 | CL10 | 115.4° | 119.6° |
| C09 | C11 | H111 | 120.9° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL07 | C06 | C05 | N08 | 179.1° | 180.0° |
| CL07 | C06 | C05 | C04 | 178.7° | 180.0° |
| CL07 | C06 | N08 | C09 | 178.7° | 180.0° |
| CL07 | C06 | C05 | H051 | 1.3° | 0.0° |
| O03 | C02 | C04 | C05 | 1.3° | 179.7° |
| O03 | C02 | C04 | O01 | 174.4° | 179.9° |
| O03 | C02 | C04 | C11 | 177.4° | 0.1° |
| O03 | C02 | O01 | H1 | 0.0° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 176.0° | 180.0° |
| C06 | C05 | C04 | C11 | 0.2° | 0.3° |
| C05 | C06 | N08 | C09 | 0.4° | 0.1° |
| C04 | C05 | C06 | N08 | 0.4° | 0.0° |
| C05 | C04 | C02 | C11 | 176.2° | 179.7° |
| C05 | C04 | C02 | O01 | 173.1° | 0.3° |
| C05 | C04 | C11 | C09 | 0.0° | 0.5° |
| C05 | C04 | C11 | H111 | 180.0° | 179.7° |
| C06 | N08 | C09 | C11 | 0.2° | 0.2° |
| C06 | N08 | C09 | CL10 | 179.7° | 179.9° |
| N08 | C06 | C05 | H051 | 179.6° | 179.9° |
| C02 | C04 | C11 | C09 | 176.2° | 179.8° |
| C04 | C02 | O01 | H1 | 173.7° | 180.0° |
| C02 | C04 | C05 | H051 | 4.0° | 0.1° |
| C02 | C04 | C11 | H111 | 3.8° | 0.0° |
| O01 | C02 | C04 | C11 | 3.0° | 180.0° |
| C04 | C11 | C09 | N08 | 0.0° | 0.5° |
| C04 | C11 | C09 | H111 | 180.0° | 179.8° |
| C04 | C11 | C09 | CL10 | 179.8° | 179.8° |
| C11 | C04 | C05 | H051 | 179.8° | 179.8° |
| N08 | C09 | C11 | CL10 | 179.8° | 179.8° |
| N08 | C09 | C11 | H111 | 180.0° | 179.8° |
| CL10 | C09 | C11 | H111 | 0.2° | 0.0° |
