5WN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.37Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | S2 | sing | 1.76Å | 1.73Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.43Å | Aromatic |
| C5 | C3 | sing | 1.41Å | 1.45Å | Aromatic |
| S2 | C1 | sing | 1.75Å | 1.73Å | Aromatic |
| C3 | C2 | sing | 1.45Å | 1.45Å | Aromatic |
| C1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | S1 | sing | 1.66Å | 1.61Å | |
| N1 | S1 | sing | 1.66Å | 1.61Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.5° | 120.2° |
| C7 | C8 | C4 | 117.9° | 120.2° |
| C8 | C7 | H7 | 119.7° | 119.9° |
| C7 | C8 | H8 | 121.1° | 119.9° |
| C7 | C6 | C5 | 121.5° | 120.6° |
| C7 | C6 | H6 | 119.3° | 119.7° |
| C6 | C7 | H7 | 119.8° | 119.9° |
| C8 | C4 | S2 | 126.8° | 130.5° |
| C8 | C4 | C3 | 122.5° | 119.8° |
| C4 | C8 | H8 | 121.1° | 120.0° |
| C6 | C5 | C3 | 120.1° | 120.5° |
| C6 | C5 | H5 | 120.0° | 119.8° |
| C5 | C6 | H6 | 119.3° | 119.7° |
| S2 | C4 | C3 | 110.7° | 109.7° |
| C4 | S2 | C1 | 91.4° | 92.2° |
| C4 | C3 | C5 | 117.6° | 118.8° |
| C4 | C3 | C2 | 111.5° | 111.8° |
| C5 | C3 | C2 | 130.9° | 129.4° |
| C3 | C5 | H5 | 120.0° | 119.7° |
| S2 | C1 | C2 | 114.5° | 111.4° |
| S2 | C1 | H4 | 122.7° | 124.3° |
| C3 | C2 | C1 | 111.9° | 114.9° |
| C3 | C2 | C9 | 124.2° | 122.6° |
| C1 | C2 | C9 | 123.9° | 122.5° |
| C2 | C1 | H4 | 122.8° | 124.3° |
| C2 | C9 | N2 | 111.5° | 109.4° |
| C2 | C9 | H9 | 109.0° | 109.5° |
| C2 | C9 | H10 | 108.9° | 109.5° |
| C9 | N2 | S1 | 112.7° | 120.0° |
| C9 | N2 | H3 | 108.6° | 120.0° |
| N2 | C9 | H9 | 109.0° | 109.5° |
| N2 | C9 | H10 | 108.9° | 109.5° |
| N2 | S1 | N1 | 106.5° | 107.2° |
| N2 | S1 | O1 | 108.6° | 106.4° |
| N2 | S1 | O2 | 104.6° | 106.4° |
| S1 | N2 | H3 | 108.7° | 120.0° |
| N1 | S1 | O1 | 108.8° | 106.4° |
| N1 | S1 | O2 | 107.6° | 106.4° |
| S1 | N1 | H1 | 109.5° | 120.0° |
| S1 | N1 | H2 | 109.5° | 120.0° |
| O1 | S1 | O2 | 120.0° | 123.2° |
| H1 | N1 | H2 | 109.4° | 120.0° |
| H9 | C9 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C8 | C4 | H8 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C7 | C8 | C4 | S2 | 179.9° | 179.9° |
| C7 | C8 | C4 | C3 | 0.0° | 0.1° |
| C8 | C7 | C6 | H6 | 179.8° | 180.0° |
| C6 | C7 | C8 | C4 | 0.1° | 0.1° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C3 | 0.1° | 0.1° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C8 | C4 | S2 | C3 | 179.9° | 180.0° |
| C8 | C4 | C3 | C5 | 0.0° | 0.0° |
| C8 | C4 | S2 | C1 | 179.9° | 180.0° |
| C8 | C4 | C3 | C2 | 179.9° | 180.0° |
| C4 | C8 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C3 | C4 | 0.0° | 0.0° |
| C6 | C5 | C3 | H5 | 180.0° | 180.0° |
| C6 | C5 | C3 | C2 | 179.9° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| S2 | C4 | C3 | C5 | 179.9° | 180.0° |
| S2 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | S2 | C1 | C2 | 0.0° | 0.0° |
| C4 | S2 | C1 | H4 | 180.0° | 180.0° |
| S2 | C4 | C8 | H8 | 0.0° | 0.0° |
| C4 | C3 | C5 | C2 | 179.8° | 180.0° |
| C3 | C4 | S2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | C9 | 179.8° | 180.0° |
| C4 | C3 | C5 | H5 | 179.9° | 179.9° |
| C3 | C4 | C8 | H8 | 180.0° | 179.9° |
| C5 | C3 | C2 | C1 | 180.0° | 180.0° |
| C5 | C3 | C2 | C9 | 0.1° | 0.0° |
| C3 | C5 | C6 | H6 | 179.8° | 180.0° |
| S2 | C1 | C2 | C3 | 0.1° | 0.0° |
| S2 | C1 | C2 | H4 | 180.0° | 180.0° |
| S2 | C1 | C2 | C9 | 179.8° | 180.0° |
| C3 | C2 | C1 | C9 | 180.0° | 180.0° |
| C3 | C2 | C9 | N2 | 95.0° | 80.0° |
| C3 | C2 | C1 | H4 | 179.9° | 180.0° |
| C2 | C3 | C5 | H5 | 0.1° | 0.1° |
| C3 | C2 | C9 | H9 | 144.7° | 40.0° |
| C3 | C2 | C9 | H10 | 25.3° | 160.0° |
| C1 | C2 | C9 | N2 | 85.0° | 100.0° |
| C1 | C2 | C9 | H9 | 35.3° | 140.0° |
| C1 | C2 | C9 | H10 | 154.7° | 20.0° |
| C2 | C9 | N2 | H9 | 120.3° | 120.0° |
| C2 | C9 | N2 | H10 | 120.3° | 120.0° |
| C2 | C9 | N2 | S1 | 117.3° | 165.0° |
| C2 | C9 | N2 | H3 | 122.3° | 15.0° |
| C9 | C2 | C1 | H4 | 0.1° | 0.0° |
| C2 | C9 | H9 | H10 | 119.1° | 120.0° |
| C9 | N2 | S1 | H3 | 120.5° | 180.0° |
| C9 | N2 | S1 | N1 | 66.5° | 65.0° |
| C9 | N2 | S1 | O1 | 50.5° | 48.5° |
| C9 | N2 | S1 | O2 | 179.7° | 178.5° |
| N2 | C9 | H9 | H10 | 119.1° | 120.0° |
| N2 | S1 | N1 | O1 | 116.8° | 113.5° |
| N2 | S1 | N1 | O2 | 111.7° | 113.6° |
| N2 | S1 | O1 | O2 | 120.1° | 123.0° |
| N2 | S1 | N1 | H1 | 180.0° | 89.9° |
| N2 | S1 | N1 | H2 | 60.0° | 89.9° |
| S1 | N2 | C9 | H9 | 3.0° | 75.0° |
| S1 | N2 | C9 | H10 | 122.4° | 45.0° |
| N1 | S1 | O1 | O2 | 124.5° | 122.9° |
| S1 | N1 | H1 | H2 | 120.0° | 179.9° |
| N1 | S1 | N2 | H3 | 54.0° | 115.0° |
| O1 | S1 | N1 | H1 | 63.2° | 23.6° |
| O1 | S1 | N1 | H2 | 56.8° | 156.5° |
| O1 | S1 | N2 | H3 | 170.9° | 131.5° |
| O2 | S1 | N1 | H1 | 68.3° | 156.5° |
| O2 | S1 | N1 | H2 | 171.7° | 23.6° |
| O2 | S1 | N2 | H3 | 59.8° | 1.5° |
| H3 | N2 | C9 | H9 | 117.4° | 105.0° |
| H3 | N2 | C9 | H10 | 2.0° | 135.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
