PK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| ZN2 | O01 | sing | 2.04Å | 2.04Å | |
| ZN2 | S03 | sing | 2.29Å | 2.07Å | |
| O01 | N09 | sing | 1.32Å | 1.40Å | |
| N09 | C08 | doub | 1.36Å | 1.36Å | Aromatic |
| N09 | C04 | sing | 1.36Å | 1.32Å | Aromatic |
| S03 | C04 | sing | 1.67Å | 1.78Å | |
| C08 | C07 | sing | 1.37Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.37Å | 1.40Å | Aromatic |
| C05 | H051 | sing | 0.95Å | 1.08Å | |
| C06 | H061 | sing | 0.95Å | 1.08Å | |
| C07 | H071 | sing | 0.94Å | 1.08Å | |
| C08 | H081 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | ZN2 | S03 | 89.6° | 82.2° |
| ZN2 | O01 | N09 | 111.8° | 117.5° |
| ZN2 | S03 | C04 | 99.6° | 97.9° |
| O01 | N09 | C08 | 117.4° | 120.0° |
| O01 | N09 | C04 | 121.5° | 119.6° |
| C08 | N09 | C04 | 121.0° | 120.4° |
| N09 | C08 | C07 | 120.4° | 120.6° |
| N09 | C08 | H081 | 119.8° | 119.3° |
| N09 | C04 | S03 | 117.4° | 119.9° |
| N09 | C04 | C05 | 121.7° | 119.7° |
| S03 | C04 | C05 | 120.9° | 120.4° |
| C08 | C07 | C06 | 119.9° | 119.6° |
| C08 | C07 | H071 | 120.0° | 119.8° |
| C07 | C08 | H081 | 119.8° | 120.1° |
| C04 | C05 | C06 | 118.6° | 120.3° |
| C04 | C05 | H051 | 120.7° | 119.4° |
| C07 | C06 | C05 | 118.3° | 119.4° |
| C07 | C06 | H061 | 120.8° | 120.5° |
| C06 | C07 | H071 | 120.1° | 120.6° |
| C06 | C05 | H051 | 120.7° | 120.3° |
| C05 | C06 | H061 | 120.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| ZN2 | O01 | N09 | C08 | 179.9° | 166.2° |
| ZN2 | O01 | N09 | C04 | 0.0° | 14.1° |
| O01 | ZN2 | S03 | C04 | 0.1° | 12.5° |
| S03 | ZN2 | O01 | N09 | 0.0° | 16.0° |
| ZN2 | S03 | C04 | N09 | 0.1° | 10.7° |
| ZN2 | S03 | C04 | C05 | 180.0° | 168.9° |
| O01 | N09 | C08 | C04 | 179.9° | 179.7° |
| O01 | N09 | C04 | S03 | 0.1° | 0.4° |
| O01 | N09 | C08 | C07 | 179.9° | 179.9° |
| O01 | N09 | C04 | C05 | 180.0° | 180.0° |
| O01 | N09 | C08 | H081 | 0.0° | 0.2° |
| C08 | N09 | C04 | S03 | 179.9° | 180.0° |
| N09 | C08 | C07 | H081 | 180.0° | 179.9° |
| C08 | N09 | C04 | C05 | 0.2° | 0.3° |
| N09 | C08 | C07 | C06 | 0.1° | 0.1° |
| N09 | C08 | C07 | H071 | 179.9° | 179.9° |
| N09 | C04 | S03 | C05 | 179.9° | 179.7° |
| C04 | N09 | C08 | C07 | 0.2° | 0.2° |
| N09 | C04 | C05 | C06 | 0.1° | 0.3° |
| N09 | C04 | C05 | H051 | 179.9° | 179.9° |
| C04 | N09 | C08 | H081 | 179.8° | 179.8° |
| S03 | C04 | C05 | C06 | 180.0° | 179.9° |
| S03 | C04 | C05 | H051 | 0.1° | 0.2° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.1° |
| C08 | C07 | C06 | H061 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.2° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | H051 | 180.0° | 180.0° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| C05 | C06 | C07 | H071 | 180.0° | 180.0° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H061 | C06 | C07 | H071 | 0.0° | 0.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.0° |
