T4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C4 | S1 | sing | 1.81Å | 1.76Å | |
| C3 | N | sing | 1.35Å | 1.33Å | |
| C3 | O | doub | 1.21Å | 1.22Å | |
| N | C2 | sing | 1.46Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| S1 | C5 | sing | 1.76Å | 1.70Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C | S | sing | 1.81Å | 1.81Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | CL | sing | 1.74Å | 1.79Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| S | H14 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | S1 | 108.3° | 109.4° |
| C4 | C3 | N | 116.4° | 120.0° |
| C4 | C3 | O | 119.9° | 120.0° |
| C3 | C4 | H5 | 109.8° | 109.5° |
| C3 | C4 | H6 | 109.8° | 109.4° |
| C4 | S1 | C5 | 110.8° | 103.0° |
| S1 | C4 | H5 | 109.7° | 109.4° |
| S1 | C4 | H6 | 109.8° | 109.5° |
| N | C3 | O | 123.7° | 120.0° |
| C3 | N | C2 | 121.9° | 120.0° |
| C3 | N | H10 | 119.0° | 120.0° |
| N | C2 | C1 | 113.7° | 109.5° |
| N | C2 | H3 | 108.4° | 109.5° |
| N | C2 | H4 | 108.4° | 109.5° |
| C2 | N | H10 | 119.1° | 120.0° |
| C2 | C1 | C | 111.2° | 109.5° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C2 | C1 | H2 | 109.0° | 109.5° |
| C1 | C2 | H3 | 108.4° | 109.5° |
| C1 | C2 | H4 | 108.4° | 109.4° |
| C1 | C | S | 109.6° | 109.5° |
| C | C1 | H1 | 109.0° | 109.4° |
| C | C1 | H2 | 109.1° | 109.5° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.5° |
| S1 | C5 | C6 | 120.0° | 120.0° |
| S1 | C5 | C10 | 119.5° | 120.0° |
| C6 | C5 | C10 | 120.5° | 119.9° |
| C5 | C6 | C7 | 119.8° | 119.9° |
| C5 | C6 | H7 | 120.1° | 120.1° |
| C5 | C10 | C9 | 119.9° | 119.9° |
| C5 | C10 | H13 | 120.1° | 120.1° |
| C6 | C7 | C8 | 119.8° | 120.0° |
| C7 | C6 | H7 | 120.1° | 120.0° |
| C6 | C7 | H8 | 120.1° | 120.0° |
| S | C | H11 | 109.4° | 109.4° |
| S | C | H12 | 109.4° | 109.5° |
| C | S | H14 | 102.0° | 103.0° |
| C10 | C9 | C8 | 119.6° | 120.1° |
| C10 | C9 | H9 | 120.2° | 119.9° |
| C9 | C10 | H13 | 120.0° | 120.0° |
| C7 | C8 | C9 | 120.5° | 120.2° |
| C7 | C8 | CL | 119.4° | 119.9° |
| C8 | C7 | H8 | 120.1° | 120.0° |
| C9 | C8 | CL | 120.1° | 120.0° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | S1 | H5 | 119.8° | 120.0° |
| C3 | C4 | S1 | H6 | 119.8° | 119.9° |
| C4 | C3 | N | O | 179.9° | 179.9° |
| C4 | C3 | N | C2 | 174.8° | 180.0° |
| C3 | C4 | S1 | C5 | 63.5° | 180.0° |
| C3 | C4 | H5 | H6 | 120.6° | 120.0° |
| C4 | C3 | N | H10 | 5.2° | 0.1° |
| S1 | C4 | C3 | N | 103.0° | 180.0° |
| S1 | C4 | C3 | O | 76.9° | 0.0° |
| C4 | S1 | C5 | C6 | 92.7° | 180.0° |
| C4 | S1 | C5 | C10 | 87.2° | 0.0° |
| S1 | C4 | H5 | H6 | 120.5° | 120.0° |
| C3 | N | C2 | H10 | 180.0° | 179.9° |
| C3 | N | C2 | C1 | 134.2° | 180.0° |
| C3 | N | C2 | H3 | 13.6° | 59.9° |
| C3 | N | C2 | H4 | 105.2° | 60.1° |
| N | C3 | C4 | H5 | 16.8° | 60.0° |
| N | C3 | C4 | H6 | 137.2° | 60.1° |
| O | C3 | N | C2 | 5.3° | 0.1° |
| O | C3 | C4 | H5 | 163.3° | 119.9° |
| O | C3 | C4 | H6 | 42.9° | 120.0° |
| O | C3 | N | H10 | 174.7° | 180.0° |
| N | C2 | C1 | H3 | 120.6° | 120.1° |
| N | C2 | C1 | H4 | 120.6° | 120.0° |
| N | C2 | C1 | C | 93.4° | 180.0° |
| N | C2 | C1 | H1 | 146.4° | 60.0° |
| N | C2 | C1 | H2 | 26.9° | 59.9° |
| N | C2 | H3 | H4 | 118.1° | 120.0° |
| C2 | C1 | C | H1 | 120.3° | 120.0° |
| C2 | C1 | C | H2 | 120.2° | 120.0° |
| C2 | C1 | C | S | 105.3° | 180.0° |
| C2 | C1 | H1 | H2 | 119.2° | 120.0° |
| C1 | C2 | H3 | H4 | 118.1° | 119.9° |
| C1 | C2 | N | H10 | 45.8° | 0.1° |
| C2 | C1 | C | H11 | 134.6° | 60.1° |
| C2 | C1 | C | H12 | 14.7° | 60.0° |
| C1 | C | S | H11 | 120.0° | 120.0° |
| C1 | C | S | H12 | 120.0° | 120.1° |
| C | C1 | H1 | H2 | 119.2° | 120.0° |
| C | C1 | C2 | H3 | 27.3° | 59.9° |
| C | C1 | C2 | H4 | 146.0° | 60.0° |
| C1 | C | H11 | H12 | 119.9° | 120.0° |
| C1 | C | S | H14 | 180.0° | 180.0° |
| S1 | C5 | C6 | C10 | 179.9° | 180.0° |
| S1 | C5 | C6 | C7 | 179.9° | 180.0° |
| S1 | C5 | C10 | C9 | 179.8° | 179.5° |
| C5 | S1 | C4 | H5 | 56.3° | 60.0° |
| C5 | S1 | C4 | H6 | 176.7° | 60.0° |
| S1 | C5 | C6 | H7 | 0.1° | 0.2° |
| S1 | C5 | C10 | H13 | 0.2° | 0.3° |
| C5 | C6 | C7 | H7 | 180.0° | 179.7° |
| C6 | C5 | C10 | C9 | 0.1° | 0.5° |
| C5 | C6 | C7 | C8 | 0.2° | 0.3° |
| C5 | C6 | C7 | H8 | 179.8° | 179.7° |
| C6 | C5 | C10 | H13 | 179.9° | 179.8° |
| C10 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C10 | C9 | H13 | 180.0° | 179.2° |
| C5 | C10 | C9 | C8 | 0.1° | 0.8° |
| C10 | C5 | C6 | H7 | 180.0° | 179.7° |
| C5 | C10 | C9 | H9 | 179.9° | 179.7° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C6 | C7 | C8 | CL | 179.8° | 180.0° |
| S | C | C1 | H1 | 14.9° | 60.0° |
| S | C | C1 | H2 | 134.4° | 60.0° |
| S | C | H11 | H12 | 119.9° | 120.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.5° |
| C10 | C9 | C8 | H9 | 180.0° | 179.5° |
| C10 | C9 | C8 | CL | 179.6° | 179.5° |
| C7 | C8 | C9 | CL | 179.6° | 180.0° |
| C8 | C7 | C6 | H7 | 179.8° | 180.0° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C9 | C8 | C7 | H8 | 179.8° | 179.9° |
| C8 | C9 | C10 | H13 | 179.9° | 180.0° |
| CL | C8 | C7 | H8 | 0.2° | 0.0° |
| CL | C8 | C9 | H9 | 0.4° | 0.0° |
| H1 | C1 | C2 | H3 | 93.0° | 60.1° |
| H1 | C1 | C2 | H4 | 25.8° | 180.0° |
| H1 | C1 | C | H11 | 105.1° | 180.0° |
| H1 | C1 | C | H12 | 135.0° | 60.0° |
| H2 | C1 | C2 | H3 | 147.5° | 180.0° |
| H2 | C1 | C2 | H4 | 93.7° | 60.1° |
| H2 | C1 | C | H11 | 14.4° | 60.0° |
| H2 | C1 | C | H12 | 105.5° | 180.0° |
| H3 | C2 | N | H10 | 166.4° | 120.0° |
| H4 | C2 | N | H10 | 74.9° | 120.1° |
| H7 | C6 | C7 | H8 | 0.2° | 0.0° |
| H9 | C9 | C10 | H13 | 0.1° | 0.5° |
| H11 | C | S | H14 | 59.9° | 60.0° |
| H12 | C | S | H14 | 60.0° | 60.0° |
