ZO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C6 | sing | 1.45Å | 1.46Å | Aromatic |
| C8 | S | sing | 1.75Å | 1.73Å | Aromatic |
| S | C7 | sing | 1.76Å | 1.73Å | Aromatic |
| C7 | C | doub | 1.42Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C | C4 | sing | 1.42Å | 1.43Å | Aromatic |
| C | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.35Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.30Å | 1.32Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | N | sing | 1.32Å | 1.34Å | Aromatic |
| N | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C6 | 112.8° | 115.0° |
| C9 | C8 | S | 113.7° | 111.3° |
| C8 | C9 | H9 | 123.6° | 122.5° |
| C9 | C8 | H8 | 123.1° | 124.3° |
| C9 | C6 | C7 | 110.4° | 111.7° |
| C9 | C6 | N1 | 124.5° | 128.4° |
| C6 | C9 | H9 | 123.6° | 122.5° |
| C8 | S | C7 | 91.5° | 92.1° |
| S | C8 | H8 | 123.2° | 124.4° |
| S | C7 | C | 132.1° | 131.1° |
| S | C7 | C6 | 111.6° | 109.9° |
| C | C7 | C6 | 116.3° | 118.9° |
| C7 | C | C4 | 118.4° | 118.5° |
| C7 | C | C1 | 126.4° | 122.7° |
| C7 | C6 | N1 | 125.1° | 119.9° |
| C4 | C | C1 | 115.2° | 118.9° |
| C | C4 | C5 | 118.3° | 118.7° |
| C | C4 | C3 | 118.9° | 118.3° |
| C | C1 | N | 125.2° | 119.7° |
| C | C1 | H1 | 117.4° | 120.2° |
| C6 | N1 | C5 | 117.2° | 123.5° |
| N1 | C5 | C4 | 124.7° | 120.5° |
| N1 | C5 | H5 | 117.6° | 119.7° |
| C5 | C4 | C3 | 122.7° | 123.0° |
| C4 | C5 | H5 | 117.7° | 119.8° |
| C4 | C3 | C2 | 119.1° | 118.5° |
| C4 | C3 | H3 | 120.5° | 120.7° |
| C3 | C2 | N | 124.1° | 122.0° |
| C2 | C3 | H3 | 120.4° | 120.8° |
| C3 | C2 | H2 | 117.9° | 119.1° |
| C2 | N | C1 | 117.4° | 122.7° |
| N | C2 | H2 | 117.9° | 119.0° |
| N | C1 | H1 | 117.4° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C6 | H9 | 180.0° | 179.7° |
| C9 | C8 | S | H8 | 180.0° | 179.9° |
| C9 | C8 | S | C7 | 0.6° | 0.0° |
| C8 | C9 | C6 | C7 | 0.9° | 0.1° |
| C8 | C9 | C6 | N1 | 177.2° | 180.0° |
| C6 | C9 | C8 | S | 0.1° | 0.1° |
| C9 | C6 | C7 | S | 1.3° | 0.0° |
| C9 | C6 | C7 | C | 179.8° | 180.0° |
| C9 | C6 | C7 | N1 | 178.1° | 180.0° |
| C9 | C6 | N1 | C5 | 178.6° | 180.0° |
| C6 | C9 | C8 | H8 | 179.9° | 180.0° |
| C8 | S | C7 | C | 179.7° | 180.0° |
| C8 | S | C7 | C6 | 1.1° | 0.0° |
| S | C8 | C9 | H9 | 179.9° | 179.7° |
| S | C7 | C | C6 | 178.5° | 180.0° |
| S | C7 | C | C4 | 176.9° | 180.0° |
| S | C7 | C | C1 | 4.9° | 0.0° |
| S | C7 | C6 | N1 | 176.8° | 180.0° |
| C7 | S | C8 | H8 | 179.5° | 179.9° |
| C7 | C | C4 | C1 | 178.4° | 180.0° |
| C | C7 | C6 | N1 | 2.1° | 0.0° |
| C7 | C | C4 | C5 | 0.2° | 0.0° |
| C7 | C | C4 | C3 | 178.1° | 180.0° |
| C7 | C | C1 | N | 177.5° | 180.0° |
| C7 | C | C1 | H1 | 2.6° | 0.1° |
| C6 | C7 | C | C4 | 1.6° | 0.0° |
| C6 | C7 | C | C1 | 176.6° | 180.0° |
| C7 | C6 | N1 | C5 | 0.8° | 0.1° |
| C7 | C6 | C9 | H9 | 179.1° | 179.7° |
| C | C4 | C5 | N1 | 1.1° | 0.1° |
| C | C4 | C5 | C3 | 177.8° | 180.0° |
| C | C4 | C3 | C2 | 0.4° | 0.1° |
| C4 | C | C1 | N | 0.8° | 0.0° |
| C4 | C | C1 | H1 | 179.2° | 179.9° |
| C | C4 | C5 | H5 | 178.8° | 180.0° |
| C | C4 | C3 | H3 | 179.6° | 180.0° |
| C1 | C | C4 | C5 | 178.2° | 180.0° |
| C1 | C | C4 | C3 | 0.3° | 0.0° |
| C | C1 | N | C2 | 0.6° | 0.0° |
| C | C1 | N | H1 | 180.0° | 179.9° |
| C6 | N1 | C5 | C4 | 0.9° | 0.1° |
| N1 | C6 | C9 | H9 | 2.8° | 0.3° |
| C6 | N1 | C5 | H5 | 179.1° | 180.0° |
| N1 | C5 | C4 | H5 | 180.0° | 179.9° |
| N1 | C5 | C4 | C3 | 176.7° | 179.9° |
| C5 | C4 | C3 | C2 | 177.4° | 179.9° |
| C5 | C4 | C3 | H3 | 2.6° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | N | 0.6° | 0.1° |
| C3 | C4 | C5 | H5 | 3.3° | 0.0° |
| C4 | C3 | C2 | H2 | 179.4° | 180.0° |
| C3 | C2 | N | H2 | 180.0° | 180.0° |
| C3 | C2 | N | C1 | 0.2° | 0.0° |
| C2 | N | C1 | H1 | 179.4° | 179.9° |
| N | C2 | C3 | H3 | 179.4° | 180.0° |
| C1 | N | C2 | H2 | 179.9° | 180.0° |
| H9 | C9 | C8 | H8 | 0.1° | 0.4° |
| H3 | C3 | C2 | H2 | 0.6° | 0.0° |
