ZW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C6 | S | sing | 1.75Å | 1.64Å | Aromatic |
| C6 | C5 | doub | 1.32Å | 1.44Å | Aromatic |
| S | C3 | sing | 1.71Å | 1.63Å | Aromatic |
| C5 | C2 | sing | 1.45Å | 1.54Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.47Å | |
| C2 | C1 | sing | 1.48Å | 1.51Å | |
| N2 | C4 | sing | 1.34Å | 1.47Å | |
| C1 | O2 | doub | 1.22Å | 1.19Å | |
| C1 | N1 | sing | 1.35Å | 1.43Å | |
| C4 | N1 | sing | 1.34Å | 1.46Å | |
| C4 | O3 | doub | 1.22Å | 1.20Å | |
| N1 | O1 | sing | 1.42Å | 1.40Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C12 | C13 | C8 | 120.3° | 120.0° |
| C13 | C12 | H3 | 120.0° | 119.9° |
| C12 | C13 | H4 | 119.9° | 120.1° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H2 | 120.0° | 120.0° |
| C11 | C12 | H3 | 120.1° | 120.0° |
| C13 | C8 | C7 | 119.7° | 120.0° |
| C13 | C8 | C9 | 119.8° | 120.0° |
| C8 | C13 | H4 | 119.9° | 120.0° |
| C11 | C10 | C9 | 120.1° | 120.0° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C11 | H2 | 120.0° | 120.0° |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C8 | C7 | C6 | 109.6° | 109.5° |
| C8 | C7 | H6 | 109.4° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.5° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C8 | C9 | H8 | 120.1° | 120.0° |
| C9 | C10 | H1 | 120.0° | 120.0° |
| C10 | C9 | H8 | 120.0° | 119.9° |
| C7 | C6 | S | 126.7° | 124.6° |
| C7 | C6 | C5 | 124.1° | 124.6° |
| C6 | C7 | H6 | 109.4° | 109.4° |
| C6 | C7 | H7 | 109.4° | 109.5° |
| S | C6 | C5 | 109.2° | 110.9° |
| C6 | S | C3 | 100.6° | 92.7° |
| C6 | C5 | C2 | 110.1° | 113.7° |
| C6 | C5 | H5 | 124.9° | 123.2° |
| S | C3 | C2 | 110.5° | 110.6° |
| S | C3 | N2 | 128.9° | 130.5° |
| C5 | C2 | C3 | 109.6° | 112.2° |
| C5 | C2 | C1 | 130.5° | 130.0° |
| C2 | C5 | H5 | 124.9° | 123.2° |
| C2 | C3 | N2 | 120.6° | 119.0° |
| C3 | C2 | C1 | 119.9° | 117.8° |
| C3 | N2 | C4 | 119.9° | 121.3° |
| C3 | N2 | H9 | 120.0° | 119.3° |
| C2 | C1 | O2 | 122.3° | 120.4° |
| C2 | C1 | N1 | 118.9° | 119.1° |
| N2 | C4 | N1 | 119.1° | 122.1° |
| N2 | C4 | O3 | 120.2° | 119.0° |
| C4 | N2 | H9 | 120.1° | 119.4° |
| O2 | C1 | N1 | 118.7° | 120.5° |
| C1 | N1 | C4 | 121.6° | 120.8° |
| C1 | N1 | O1 | 118.1° | 119.6° |
| N1 | C4 | O3 | 120.8° | 118.9° |
| C4 | N1 | O1 | 120.3° | 119.6° |
| N1 | O1 | H10 | 109.5° | 114.0° |
| H6 | C7 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H3 | 180.0° | 179.9° |
| C12 | C13 | C8 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C8 | C7 | 179.5° | 180.0° |
| C12 | C13 | C8 | C9 | 0.1° | 0.0° |
| C13 | C12 | C11 | H2 | 179.9° | 180.0° |
| C11 | C12 | C13 | C8 | 0.0° | 0.1° |
| C12 | C11 | C10 | H2 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C12 | C11 | C10 | H1 | 179.9° | 179.7° |
| C11 | C12 | C13 | H4 | 180.0° | 180.0° |
| C13 | C8 | C7 | C9 | 179.6° | 180.0° |
| C13 | C8 | C9 | C10 | 0.0° | 0.1° |
| C13 | C8 | C7 | C6 | 98.2° | 90.0° |
| C8 | C13 | C12 | H3 | 180.0° | 180.0° |
| C13 | C8 | C7 | H6 | 141.8° | 29.9° |
| C13 | C8 | C7 | H7 | 21.9° | 150.0° |
| C13 | C8 | C9 | H8 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | H3 | 179.9° | 180.0° |
| C11 | C10 | C9 | H8 | 179.9° | 179.7° |
| C7 | C8 | C9 | C10 | 179.6° | 180.0° |
| C8 | C7 | C6 | H6 | 120.0° | 120.0° |
| C8 | C7 | C6 | H7 | 120.0° | 120.0° |
| C8 | C7 | C6 | S | 5.5° | 89.9° |
| C8 | C7 | C6 | C5 | 174.0° | 90.1° |
| C7 | C8 | C13 | H4 | 0.4° | 0.1° |
| C8 | C7 | H6 | H7 | 120.0° | 120.1° |
| C7 | C8 | C9 | H8 | 0.4° | 0.4° |
| C8 | C9 | C10 | H8 | 180.0° | 179.6° |
| C9 | C8 | C7 | C6 | 81.4° | 90.1° |
| C8 | C9 | C10 | H1 | 180.0° | 179.7° |
| C9 | C8 | C13 | H4 | 180.0° | 179.9° |
| C9 | C8 | C7 | H6 | 38.6° | 150.0° |
| C9 | C8 | C7 | H7 | 158.5° | 30.0° |
| C9 | C10 | C11 | H2 | 179.9° | 179.9° |
| C7 | C6 | S | C5 | 179.6° | 180.0° |
| C7 | C6 | S | C3 | 179.7° | 180.0° |
| C7 | C6 | C5 | C2 | 179.7° | 180.0° |
| C7 | C6 | C5 | H5 | 0.3° | 0.0° |
| C6 | C7 | H6 | H7 | 119.9° | 120.0° |
| S | C6 | C5 | C2 | 0.1° | 0.0° |
| C6 | S | C3 | C2 | 0.0° | 0.0° |
| C6 | S | C3 | N2 | 179.8° | 180.0° |
| S | C6 | C5 | H5 | 179.9° | 179.9° |
| S | C6 | C7 | H6 | 125.6° | 30.1° |
| S | C6 | C7 | H7 | 114.5° | 150.0° |
| C5 | C6 | S | C3 | 0.1° | 0.0° |
| C6 | C5 | C2 | H5 | 180.0° | 179.9° |
| C6 | C5 | C2 | C3 | 0.0° | 0.0° |
| C6 | C5 | C2 | C1 | 179.9° | 179.9° |
| C5 | C6 | C7 | H6 | 54.0° | 150.0° |
| C5 | C6 | C7 | H7 | 65.9° | 30.0° |
| S | C3 | C2 | C5 | 0.0° | 0.0° |
| S | C3 | C2 | N2 | 179.8° | 180.0° |
| S | C3 | C2 | C1 | 179.9° | 179.9° |
| S | C3 | N2 | C4 | 179.8° | 179.8° |
| S | C3 | N2 | H9 | 0.2° | 0.0° |
| C5 | C2 | C3 | C1 | 179.9° | 179.9° |
| C5 | C2 | C3 | N2 | 179.8° | 180.0° |
| C5 | C2 | C1 | O2 | 0.1° | 0.1° |
| C5 | C2 | C1 | N1 | 180.0° | 179.8° |
| C2 | C3 | N2 | C4 | 0.4° | 0.3° |
| C3 | C2 | C1 | O2 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 0.1° | 0.3° |
| C3 | C2 | C5 | H5 | 180.0° | 180.0° |
| C2 | C3 | N2 | H9 | 179.6° | 180.0° |
| N2 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | N2 | C4 | H9 | 180.0° | 179.7° |
| C3 | N2 | C4 | N1 | 0.4° | 0.3° |
| C3 | N2 | C4 | O3 | 179.8° | 179.7° |
| C2 | C1 | O2 | N1 | 179.9° | 179.6° |
| C2 | C1 | N1 | C4 | 0.1° | 0.3° |
| C2 | C1 | N1 | O1 | 179.6° | 179.7° |
| C1 | C2 | C5 | H5 | 0.1° | 0.1° |
| N2 | C4 | N1 | C1 | 0.2° | 0.0° |
| N2 | C4 | N1 | O3 | 179.8° | 180.0° |
| N2 | C4 | N1 | O1 | 179.7° | 180.0° |
| O2 | C1 | N1 | C4 | 180.0° | 180.0° |
| O2 | C1 | N1 | O1 | 0.5° | 0.1° |
| C1 | N1 | C4 | O1 | 179.4° | 180.0° |
| C1 | N1 | C4 | O3 | 180.0° | 180.0° |
| C1 | N1 | O1 | H10 | 0.2° | 179.9° |
| N1 | C4 | N2 | H9 | 179.6° | 180.0° |
| C4 | N1 | O1 | H10 | 179.7° | 0.1° |
| O3 | C4 | N1 | O1 | 0.5° | 0.0° |
| O3 | C4 | N2 | H9 | 0.2° | 0.1° |
| H1 | C10 | C11 | H2 | 0.1° | 0.3° |
| H1 | C10 | C9 | H8 | 0.0° | 0.1° |
| H2 | C11 | C12 | H3 | 0.1° | 0.1° |
| H3 | C12 | C13 | H4 | 0.0° | 0.1° |
