6W2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.43Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.67Å | |
| S | C4 | sing | 1.76Å | 1.76Å | |
| N | C7 | sing | 1.39Å | 1.34Å | |
| C7 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
| C7 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| S1 | C9 | sing | 1.76Å | 1.69Å | Aromatic |
| C9 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N1 | sing | 1.32Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O1 | 119.5° | 123.2° |
| O2 | S | N | 105.3° | 106.4° |
| O2 | S | C4 | 108.4° | 106.4° |
| O1 | S | N | 108.2° | 106.4° |
| O1 | S | C4 | 108.6° | 106.4° |
| N | S | C4 | 106.1° | 107.2° |
| S | N | C7 | 124.5° | 120.0° |
| S | N | H | 105.6° | 120.0° |
| S | C4 | C3 | 119.4° | 119.9° |
| S | C4 | C5 | 119.8° | 120.0° |
| N | C7 | S1 | 125.0° | 125.0° |
| N | C7 | N1 | 120.6° | 124.9° |
| C7 | N | H | 105.6° | 120.0° |
| S1 | C7 | N1 | 114.4° | 110.1° |
| C7 | S1 | C9 | 89.4° | 90.3° |
| C7 | N1 | C8 | 109.4° | 116.8° |
| S1 | C9 | C8 | 110.3° | 108.1° |
| S1 | C9 | H9 | 124.9° | 125.9° |
| C9 | C8 | N1 | 116.4° | 114.6° |
| C8 | C9 | H9 | 124.8° | 126.0° |
| C9 | C8 | H8 | 121.8° | 122.7° |
| N1 | C8 | H8 | 121.8° | 122.7° |
| C3 | C4 | C5 | 120.7° | 120.1° |
| C4 | C3 | C2 | 119.7° | 120.1° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.1° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C3 | C2 | C1 | 120.0° | 119.9° |
| C2 | C3 | H3 | 120.1° | 119.9° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C1 | C6 | 120.2° | 119.9° |
| C2 | C1 | O | 111.1° | 120.1° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C5 | C6 | C1 | 120.0° | 119.9° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| C6 | C1 | O | 128.7° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C1 | O | C | 118.3° | 117.0° |
| O | C | HC1 | 109.5° | 109.5° |
| O | C | HC2 | 109.4° | 109.4° |
| O | C | HC3 | 109.5° | 109.4° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O1 | N | 120.3° | 122.9° |
| O2 | S | O1 | C4 | 125.0° | 123.0° |
| O2 | S | N | C4 | 114.8° | 113.6° |
| O2 | S | N | C7 | 156.0° | 178.5° |
| O2 | S | C4 | C3 | 101.3° | 23.5° |
| O2 | S | C4 | C5 | 78.7° | 156.2° |
| O2 | S | N | H | 82.0° | 1.5° |
| O1 | S | N | C4 | 116.4° | 113.5° |
| O1 | S | N | C7 | 27.2° | 48.5° |
| O1 | S | C4 | C3 | 127.5° | 156.5° |
| O1 | S | C4 | C5 | 52.6° | 23.3° |
| O1 | S | N | H | 149.2° | 131.5° |
| S | N | C7 | H | 122.0° | 180.0° |
| S | N | C7 | S1 | 4.2° | 180.0° |
| S | N | C7 | N1 | 177.5° | 0.3° |
| N | S | C4 | C3 | 11.4° | 90.0° |
| N | S | C4 | C5 | 168.7° | 90.2° |
| C4 | S | N | C7 | 89.2° | 65.0° |
| S | C4 | C3 | C5 | 179.9° | 179.7° |
| S | C4 | C3 | C2 | 179.2° | 180.0° |
| S | C4 | C5 | C6 | 179.0° | 180.0° |
| C4 | S | N | H | 32.8° | 115.0° |
| S | C4 | C3 | H3 | 0.8° | 0.0° |
| S | C4 | C5 | H5 | 1.0° | 0.0° |
| N | C7 | S1 | N1 | 178.3° | 179.7° |
| N | C7 | S1 | C9 | 178.0° | 180.0° |
| N | C7 | N1 | C8 | 177.5° | 179.8° |
| C7 | S1 | C9 | C8 | 0.4° | 0.0° |
| S1 | C7 | N1 | C8 | 0.9° | 0.5° |
| S1 | C7 | N | H | 126.3° | 0.0° |
| C7 | S1 | C9 | H9 | 179.6° | 180.0° |
| N1 | C7 | S1 | C9 | 0.3° | 0.3° |
| C7 | N1 | C8 | C9 | 1.2° | 0.5° |
| N1 | C7 | N | H | 55.5° | 179.7° |
| C7 | N1 | C8 | H8 | 178.8° | 179.8° |
| S1 | C9 | C8 | H9 | 180.0° | 180.0° |
| S1 | C9 | C8 | N1 | 1.0° | 0.3° |
| S1 | C9 | C8 | H8 | 179.0° | 180.0° |
| C9 | C8 | N1 | H8 | 180.0° | 179.7° |
| N1 | C8 | C9 | H9 | 179.0° | 179.8° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.2° |
| C3 | C4 | C5 | H5 | 178.9° | 179.8° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.9° | 0.3° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C5 | C4 | C3 | H3 | 179.1° | 179.8° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.9° | 0.3° |
| C3 | C2 | C1 | O | 179.2° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.3° |
| C2 | C1 | C6 | O | 179.8° | 179.7° |
| C2 | C1 | O | C | 179.8° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | H6 | 179.3° | 179.7° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | O | 179.4° | 180.0° |
| C6 | C1 | O | C | 0.0° | 0.3° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C6 | C1 | C2 | H2 | 179.1° | 179.7° |
| O | C1 | C2 | H2 | 0.8° | 0.0° |
| O | C1 | C6 | H6 | 0.6° | 0.0° |
| C1 | O | C | HC1 | 180.0° | 180.0° |
| C1 | O | C | HC2 | 60.0° | 60.0° |
| C1 | O | C | HC3 | 60.0° | 60.0° |
| O | C | HC1 | HC2 | 120.0° | 120.0° |
| O | C | HC1 | HC3 | 120.0° | 120.0° |
| O | C | HC2 | HC3 | 120.0° | 119.9° |
| H9 | C9 | C8 | H8 | 1.0° | 0.0° |
| H3 | C3 | C2 | H2 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.1° |
