PK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| ZN2 | O01 | sing | 1.73Å | 2.04Å | |
| ZN2 | S03 | sing | 2.13Å | 2.07Å | |
| O01 | N09 | sing | 1.44Å | 1.40Å | |
| N09 | C08 | doub | 1.35Å | 1.36Å | Aromatic |
| N09 | C04 | sing | 1.33Å | 1.32Å | Aromatic |
| S03 | C04 | sing | 1.79Å | 1.78Å | |
| C08 | C07 | sing | 1.37Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | ZN2 | S03 | 89.6° | 96.4° |
| ZN2 | O01 | N09 | 111.8° | 107.5° |
| ZN2 | S03 | C04 | 99.6° | 92.4° |
| O01 | N09 | C08 | 117.4° | 117.1° |
| O01 | N09 | C04 | 121.5° | 126.5° |
| C08 | N09 | C04 | 121.0° | 116.3° |
| N09 | C08 | C07 | 120.4° | 124.3° |
| N09 | C08 | H081 | 119.8° | 117.8° |
| N09 | C04 | S03 | 117.4° | 111.6° |
| N09 | C04 | C05 | 121.7° | 122.6° |
| S03 | C04 | C05 | 120.9° | 125.7° |
| C08 | C07 | C06 | 119.9° | 119.5° |
| C08 | C07 | H071 | 120.0° | 120.2° |
| C07 | C08 | H081 | 119.8° | 117.9° |
| C04 | C05 | C06 | 118.6° | 120.6° |
| C04 | C05 | H051 | 120.7° | 119.7° |
| C07 | C06 | C05 | 118.3° | 116.6° |
| C07 | C06 | H061 | 120.8° | 121.7° |
| C06 | C07 | H071 | 120.1° | 120.3° |
| C06 | C05 | H051 | 120.7° | 119.7° |
| C05 | C06 | H061 | 120.8° | 121.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| ZN2 | O01 | N09 | C08 | 179.9° | 161.7° |
| ZN2 | O01 | N09 | C04 | 0.0° | 18.8° |
| O01 | ZN2 | S03 | C04 | 0.1° | 19.2° |
| S03 | ZN2 | O01 | N09 | 0.0° | 21.9° |
| ZN2 | S03 | C04 | N09 | 0.1° | 12.6° |
| ZN2 | S03 | C04 | C05 | 180.0° | 167.1° |
| O01 | N09 | C08 | C04 | 179.9° | 179.5° |
| O01 | N09 | C04 | S03 | 0.1° | 1.6° |
| O01 | N09 | C08 | C07 | 179.9° | 179.0° |
| O01 | N09 | C04 | C05 | 180.0° | 178.7° |
| O01 | N09 | C08 | H081 | 0.0° | 1.0° |
| C08 | N09 | C04 | S03 | 179.9° | 178.9° |
| N09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C08 | N09 | C04 | C05 | 0.2° | 0.8° |
| N09 | C08 | C07 | C06 | 0.1° | 0.0° |
| N09 | C08 | C07 | H071 | 179.9° | 180.0° |
| N09 | C04 | S03 | C05 | 179.9° | 179.7° |
| C04 | N09 | C08 | C07 | 0.2° | 0.5° |
| N09 | C04 | C05 | C06 | 0.1° | 0.5° |
| N09 | C04 | C05 | H051 | 179.9° | 179.5° |
| C04 | N09 | C08 | H081 | 179.8° | 179.4° |
| S03 | C04 | C05 | C06 | 180.0° | 179.1° |
| S03 | C04 | C05 | H051 | 0.1° | 0.9° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.2° |
| C08 | C07 | C06 | H061 | 180.0° | 179.8° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | H051 | 180.0° | 180.0° |
| C06 | C07 | C08 | H081 | 179.9° | 179.9° |
| C05 | C06 | C07 | H071 | 180.0° | 179.8° |
| H051 | C05 | C06 | H061 | 0.0° | 0.0° |
| H061 | C06 | C07 | H071 | 0.0° | 0.2° |
| H071 | C07 | C08 | H081 | 0.1° | 0.1° |
