P4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S | doub | 1.42Å | 1.43Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| S | C2 | sing | 1.76Å | 1.77Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C3 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O | 119.7° | 123.2° |
| O1 | S | N | 107.5° | 106.4° |
| O1 | S | C2 | 107.4° | 106.4° |
| O | S | N | 106.7° | 106.4° |
| O | S | C2 | 109.1° | 106.4° |
| N | S | C2 | 105.5° | 107.2° |
| S | N | C1 | 116.6° | 120.0° |
| S | N | C | 116.9° | 120.0° |
| S | C2 | C3 | 116.5° | 120.3° |
| S | C2 | C10 | 122.2° | 120.3° |
| C1 | N | C | 114.9° | 120.0° |
| N | C1 | H4 | 109.5° | 109.5° |
| N | C1 | H5 | 109.5° | 109.5° |
| N | C1 | H6 | 109.5° | 109.4° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H2 | 109.5° | 109.4° |
| N | C | H3 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.3° | 121.0° |
| C3 | C2 | C10 | 121.2° | 119.5° |
| C2 | C3 | H7 | 119.9° | 119.5° |
| C3 | C4 | C5 | 120.9° | 121.1° |
| C4 | C3 | H7 | 119.9° | 119.5° |
| C3 | C4 | H8 | 119.5° | 119.5° |
| C2 | C10 | C9 | 124.8° | 122.2° |
| C2 | C10 | C6 | 117.6° | 119.5° |
| C4 | C5 | C6 | 120.7° | 119.5° |
| C5 | C4 | H8 | 119.5° | 119.4° |
| C4 | C5 | H9 | 119.7° | 120.3° |
| C9 | C10 | C6 | 117.6° | 118.2° |
| C10 | C9 | C8 | 119.3° | 118.7° |
| C10 | C9 | H12 | 120.3° | 120.7° |
| C10 | C6 | C5 | 119.3° | 119.3° |
| C10 | C6 | C7 | 117.3° | 118.6° |
| C9 | C8 | N1 | 124.3° | 121.9° |
| C9 | C8 | H11 | 117.9° | 119.1° |
| C8 | C9 | H12 | 120.4° | 120.7° |
| C5 | C6 | C7 | 123.3° | 122.1° |
| C6 | C5 | H9 | 119.6° | 120.2° |
| C6 | C7 | N1 | 123.9° | 119.8° |
| C6 | C7 | H10 | 118.1° | 120.1° |
| C8 | N1 | C7 | 117.6° | 122.8° |
| N1 | C8 | H11 | 117.9° | 119.0° |
| N1 | C7 | H10 | 118.0° | 120.1° |
| H1 | C | H2 | 109.5° | 109.4° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O | N | 122.2° | 122.9° |
| O1 | S | O | C2 | 124.2° | 123.0° |
| O1 | S | N | C2 | 114.5° | 113.5° |
| O1 | S | N | C1 | 92.7° | 23.5° |
| O1 | S | N | C | 48.8° | 156.5° |
| O1 | S | C2 | C3 | 7.6° | 1.5° |
| O1 | S | C2 | C10 | 169.9° | 178.5° |
| O | S | N | C2 | 116.0° | 113.5° |
| O | S | N | C1 | 36.9° | 156.4° |
| O | S | N | C | 178.3° | 23.5° |
| O | S | C2 | C3 | 138.8° | 131.5° |
| O | S | C2 | C10 | 38.7° | 48.5° |
| S | N | C1 | C | 142.2° | 179.9° |
| N | S | C2 | C3 | 106.9° | 115.0° |
| N | S | C2 | C10 | 75.6° | 65.0° |
| S | N | C | H1 | 180.0° | 90.0° |
| S | N | C | H2 | 60.0° | 29.9° |
| S | N | C | H3 | 60.0° | 150.0° |
| S | N | C1 | H4 | 180.0° | 90.0° |
| S | N | C1 | H5 | 60.0° | 30.0° |
| S | N | C1 | H6 | 60.0° | 150.0° |
| C2 | S | N | C1 | 152.9° | 90.0° |
| C2 | S | N | C | 65.7° | 90.0° |
| S | C2 | C3 | C10 | 177.5° | 180.0° |
| S | C2 | C3 | C4 | 175.3° | 180.0° |
| S | C2 | C10 | C9 | 8.1° | 0.0° |
| S | C2 | C10 | C6 | 175.6° | 179.7° |
| S | C2 | C3 | H7 | 4.7° | 0.1° |
| C1 | N | C | H1 | 37.9° | 90.1° |
| C1 | N | C | H2 | 157.9° | 150.0° |
| C1 | N | C | H3 | 82.1° | 30.0° |
| N | C1 | H4 | H5 | 120.0° | 120.0° |
| N | C1 | H4 | H6 | 120.0° | 120.0° |
| N | C1 | H5 | H6 | 120.0° | 120.0° |
| N | C | H1 | H2 | 120.0° | 119.9° |
| N | C | H1 | H3 | 120.0° | 120.0° |
| N | C | H2 | H3 | 120.0° | 120.0° |
| C | N | C1 | H4 | 37.7° | 90.0° |
| C | N | C1 | H5 | 82.3° | 150.0° |
| C | N | C1 | H6 | 157.7° | 30.0° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | C10 | C9 | 174.6° | 180.0° |
| C3 | C2 | C10 | C6 | 1.8° | 0.3° |
| C2 | C3 | C4 | H8 | 179.6° | 179.9° |
| C4 | C3 | C2 | C10 | 2.2° | 0.0° |
| C3 | C4 | C5 | H8 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.9° | 0.4° |
| C3 | C4 | C5 | H9 | 178.1° | 180.0° |
| C2 | C10 | C9 | C6 | 176.4° | 179.7° |
| C2 | C10 | C9 | C8 | 175.7° | 179.7° |
| C2 | C10 | C6 | C5 | 0.4° | 0.6° |
| C2 | C10 | C6 | C7 | 175.8° | 179.7° |
| C10 | C2 | C3 | H7 | 177.8° | 180.0° |
| C2 | C10 | C9 | H12 | 4.3° | 0.2° |
| C4 | C5 | C6 | C10 | 2.2° | 0.7° |
| C4 | C5 | C6 | H9 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 173.7° | 179.7° |
| C5 | C4 | C3 | H7 | 179.7° | 179.9° |
| C10 | C9 | C8 | H12 | 180.0° | 179.9° |
| C9 | C10 | C6 | C5 | 177.0° | 179.7° |
| C9 | C10 | C6 | C7 | 0.9° | 0.0° |
| C10 | C9 | C8 | N1 | 0.2° | 0.1° |
| C10 | C9 | C8 | H11 | 179.8° | 180.0° |
| C6 | C10 | C9 | C8 | 0.7° | 0.0° |
| C10 | C6 | C5 | C7 | 175.9° | 179.6° |
| C10 | C6 | C7 | N1 | 0.5° | 0.0° |
| C10 | C6 | C5 | H9 | 177.8° | 179.7° |
| C10 | C6 | C7 | H10 | 179.4° | 180.0° |
| C6 | C10 | C9 | H12 | 179.3° | 179.9° |
| C9 | C8 | N1 | H11 | 180.0° | 179.9° |
| C9 | C8 | N1 | C7 | 0.1° | 0.0° |
| C5 | C6 | C7 | N1 | 176.5° | 179.7° |
| C6 | C5 | C4 | H8 | 178.1° | 179.7° |
| C5 | C6 | C7 | H10 | 3.5° | 0.4° |
| C6 | C7 | N1 | C8 | 0.0° | 0.0° |
| C6 | C7 | N1 | H10 | 180.0° | 180.0° |
| C7 | C6 | C5 | H9 | 6.3° | 0.0° |
| C8 | N1 | C7 | H10 | 180.0° | 180.0° |
| N1 | C8 | C9 | H12 | 179.8° | 180.0° |
| C7 | N1 | C8 | H11 | 179.8° | 179.9° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H7 | C3 | C4 | H8 | 0.3° | 0.0° |
| H8 | C4 | C5 | H9 | 1.9° | 0.1° |
| H11 | C8 | C9 | H12 | 0.2° | 0.1° |
