DZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C8 | doub | 1.21Å | 1.24Å | |
| C8 | O11 | sing | 1.34Å | 1.25Å | |
| C8 | C4 | sing | 1.51Å | 1.50Å | |
| N2 | C5 | doub | 1.29Å | 1.36Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.37Å | Aromatic |
| C9 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C1 | sing | 1.51Å | 1.50Å | |
| C5 | S6 | sing | 1.71Å | 1.73Å | Aromatic |
| C1 | C3 | doub | 1.34Å | 1.49Å | Aromatic |
| C3 | S6 | sing | 1.76Å | 1.75Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.50Å | |
| O11 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C8 | O11 | 124.0° | 120.0° |
| O10 | C8 | C4 | 116.3° | 120.0° |
| O11 | C8 | C4 | 119.7° | 120.1° |
| C8 | O11 | H1 | 109.5° | 117.1° |
| C8 | C4 | C1 | 110.2° | 109.5° |
| C8 | C4 | H2 | 109.3° | 109.5° |
| C8 | C4 | H3 | 109.3° | 109.5° |
| C5 | N2 | C1 | 115.6° | 117.1° |
| N2 | C5 | C9 | 133.2° | 125.0° |
| N2 | C5 | S6 | 112.1° | 110.2° |
| N2 | C1 | C4 | 125.3° | 122.8° |
| N2 | C1 | C3 | 111.5° | 114.5° |
| C9 | C5 | S6 | 114.7° | 124.9° |
| C5 | C9 | H7 | 109.5° | 109.5° |
| C5 | C9 | H8 | 109.5° | 109.4° |
| C5 | C9 | H9 | 109.4° | 109.4° |
| C4 | C1 | C3 | 123.2° | 122.7° |
| C1 | C4 | H2 | 109.3° | 109.5° |
| C1 | C4 | H3 | 109.3° | 109.4° |
| C5 | S6 | C3 | 92.3° | 90.3° |
| C1 | C3 | S6 | 108.5° | 107.9° |
| C1 | C3 | C7 | 132.2° | 126.1° |
| S6 | C3 | C7 | 119.2° | 126.1° |
| C3 | C7 | H4 | 109.5° | 109.5° |
| C3 | C7 | H5 | 109.5° | 109.5° |
| C3 | C7 | H6 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.4° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C8 | O11 | C4 | 179.4° | 180.0° |
| O10 | C8 | C4 | C1 | 146.4° | 0.0° |
| O10 | C8 | O11 | H1 | 0.0° | 0.0° |
| O10 | C8 | C4 | H2 | 26.3° | 120.1° |
| O10 | C8 | C4 | H3 | 93.5° | 120.0° |
| O11 | C8 | C4 | C1 | 33.0° | 180.0° |
| O11 | C8 | C4 | H2 | 153.1° | 60.0° |
| O11 | C8 | C4 | H3 | 87.1° | 60.0° |
| C8 | C4 | C1 | N2 | 85.7° | 90.3° |
| C8 | C4 | C1 | H2 | 120.1° | 120.0° |
| C8 | C4 | C1 | H3 | 120.1° | 120.0° |
| C8 | C4 | C1 | C3 | 95.3° | 90.0° |
| C4 | C8 | O11 | H1 | 179.4° | 180.0° |
| C8 | C4 | H2 | H3 | 119.7° | 120.0° |
| N2 | C5 | C9 | S6 | 179.2° | 179.7° |
| C5 | N2 | C1 | C4 | 179.5° | 179.7° |
| C5 | N2 | C1 | C3 | 0.4° | 0.5° |
| N2 | C5 | S6 | C3 | 0.7° | 0.3° |
| N2 | C5 | C9 | H7 | 0.0° | 179.7° |
| N2 | C5 | C9 | H8 | 120.0° | 59.6° |
| N2 | C5 | C9 | H9 | 120.0° | 60.3° |
| C1 | N2 | C5 | C9 | 180.0° | 179.7° |
| N2 | C1 | C4 | C3 | 179.0° | 179.7° |
| C1 | N2 | C5 | S6 | 0.8° | 0.5° |
| N2 | C1 | C3 | S6 | 0.1° | 0.3° |
| N2 | C1 | C3 | C7 | 179.6° | 179.7° |
| N2 | C1 | C4 | H2 | 34.4° | 149.7° |
| N2 | C1 | C4 | H3 | 154.2° | 29.7° |
| C9 | C5 | S6 | C3 | 180.0° | 180.0° |
| C5 | C9 | H7 | H8 | 120.0° | 120.0° |
| C5 | C9 | H7 | H9 | 120.0° | 120.0° |
| C5 | C9 | H8 | H9 | 120.0° | 119.9° |
| C4 | C1 | C3 | S6 | 179.0° | 180.0° |
| C4 | C1 | C3 | C7 | 0.5° | 0.0° |
| C1 | C4 | H2 | H3 | 119.7° | 120.0° |
| C5 | S6 | C3 | C1 | 0.4° | 0.0° |
| C5 | S6 | C3 | C7 | 180.0° | 180.0° |
| S6 | C5 | C9 | H7 | 179.2° | 0.1° |
| S6 | C5 | C9 | H8 | 59.2° | 120.1° |
| S6 | C5 | C9 | H9 | 60.8° | 120.0° |
| C1 | C3 | S6 | C7 | 179.6° | 180.0° |
| C3 | C1 | C4 | H2 | 144.6° | 30.1° |
| C3 | C1 | C4 | H3 | 24.8° | 150.0° |
| C1 | C3 | C7 | H4 | 179.5° | 90.0° |
| C1 | C3 | C7 | H5 | 59.5° | 150.0° |
| C1 | C3 | C7 | H6 | 60.5° | 30.0° |
| S6 | C3 | C7 | H4 | 0.0° | 90.0° |
| S6 | C3 | C7 | H5 | 120.0° | 30.0° |
| S6 | C3 | C7 | H6 | 120.0° | 150.0° |
| C3 | C7 | H4 | H5 | 120.0° | 120.0° |
| C3 | C7 | H4 | H6 | 120.0° | 120.0° |
| C3 | C7 | H5 | H6 | 120.0° | 120.0° |
| H4 | C7 | H5 | H6 | 120.0° | 120.0° |
| H7 | C9 | H8 | H9 | 120.0° | 120.0° |






