WN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S | doub | 1.42Å | 1.43Å | |
| S | O2 | doub | 1.42Å | 1.42Å | |
| S | C04 | sing | 1.76Å | 1.68Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.72Å | |
| O11 | S09 | doub | 1.42Å | 1.39Å | |
| S09 | O10 | doub | 1.42Å | 1.42Å | |
| S09 | N12 | sing | 1.66Å | 1.71Å | |
| N12 | C13 | sing | 1.39Å | 1.44Å | |
| N18 | C13 | doub | 1.33Å | 1.39Å | Aromatic |
| N18 | N17 | sing | 1.28Å | 1.27Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| N17 | C16 | doub | 1.32Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| S | H1 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S | O2 | 116.2° | 123.2° |
| O3 | S | C04 | 105.1° | 106.4° |
| O3 | S | H1 | 110.5° | 106.4° |
| O2 | S | C04 | 106.4° | 106.4° |
| O2 | S | H1 | 110.7° | 106.4° |
| S | C04 | C05 | 120.4° | 120.0° |
| S | C04 | C19 | 123.0° | 120.0° |
| C04 | S | H1 | 107.3° | 107.2° |
| C06 | C05 | C04 | 120.9° | 120.0° |
| C05 | C06 | C07 | 119.8° | 120.0° |
| C06 | C05 | H051 | 119.5° | 120.0° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| C05 | C04 | C19 | 116.6° | 120.0° |
| C04 | C05 | H051 | 119.5° | 120.0° |
| C06 | C07 | C08 | 122.0° | 120.0° |
| C07 | C06 | H061 | 120.1° | 120.0° |
| C06 | C07 | H071 | 119.0° | 120.0° |
| C04 | C19 | C08 | 125.5° | 120.0° |
| C04 | C19 | H191 | 117.3° | 120.0° |
| C07 | C08 | C19 | 115.1° | 120.0° |
| C07 | C08 | S09 | 125.1° | 120.0° |
| C08 | C07 | H071 | 119.0° | 120.1° |
| C19 | C08 | S09 | 119.8° | 120.0° |
| C08 | C19 | H191 | 117.2° | 120.0° |
| C08 | S09 | O11 | 107.2° | 106.4° |
| C08 | S09 | O10 | 104.4° | 106.4° |
| C08 | S09 | N12 | 109.5° | 107.2° |
| O11 | S09 | O10 | 122.7° | 123.2° |
| O11 | S09 | N12 | 109.8° | 106.4° |
| O10 | S09 | N12 | 102.6° | 106.4° |
| S09 | N12 | C13 | 128.2° | 120.0° |
| S09 | N12 | H121 | 104.6° | 120.0° |
| N12 | C13 | N18 | 116.8° | 120.2° |
| N12 | C13 | C14 | 123.6° | 120.2° |
| C13 | N12 | H121 | 104.6° | 120.0° |
| C13 | N18 | N17 | 121.0° | 122.1° |
| N18 | C13 | C14 | 119.6° | 119.7° |
| N18 | N17 | C16 | 122.7° | 122.3° |
| C13 | C14 | C15 | 118.1° | 117.9° |
| C13 | C14 | H141 | 120.9° | 121.1° |
| N17 | C16 | C15 | 120.6° | 120.0° |
| N17 | C16 | H161 | 119.7° | 120.0° |
| C14 | C15 | C16 | 118.1° | 118.0° |
| C14 | C15 | H151 | 121.0° | 121.0° |
| C15 | C14 | H141 | 121.0° | 121.0° |
| C16 | C15 | H151 | 121.0° | 121.0° |
| C15 | C16 | H161 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S | O2 | C04 | 116.6° | 122.9° |
| O3 | S | O2 | H1 | 127.1° | 123.0° |
| O3 | S | C04 | H1 | 117.7° | 113.5° |
| O3 | S | C04 | C05 | 28.7° | 89.7° |
| O3 | S | C04 | C19 | 152.4° | 90.0° |
| O2 | S | C04 | H1 | 118.5° | 113.6° |
| O2 | S | C04 | C05 | 152.5° | 137.4° |
| O2 | S | C04 | C19 | 28.6° | 42.9° |
| S | C04 | C05 | C06 | 179.4° | 179.7° |
| S | C04 | C05 | C19 | 179.0° | 179.7° |
| S | C04 | C19 | C08 | 179.5° | 179.8° |
| S | C04 | C05 | H051 | 0.5° | 0.3° |
| S | C04 | C19 | H191 | 0.5° | 0.3° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C06 | C05 | C04 | C19 | 0.5° | 0.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.1° |
| C05 | C06 | C07 | H071 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 0.2° | 0.0° |
| C05 | C04 | C19 | C08 | 0.5° | 0.1° |
| C04 | C05 | C06 | H061 | 179.8° | 179.9° |
| C05 | C04 | C19 | H191 | 179.5° | 180.0° |
| C05 | C04 | S | H1 | 89.1° | 23.8° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C19 | 0.1° | 0.0° |
| C06 | C07 | C08 | S09 | 179.9° | 179.9° |
| C07 | C06 | C05 | H051 | 179.7° | 179.9° |
| C04 | C19 | C08 | C07 | 0.3° | 0.0° |
| C04 | C19 | C08 | H191 | 180.0° | 179.9° |
| C04 | C19 | C08 | S09 | 179.9° | 180.0° |
| C19 | C04 | C05 | H051 | 179.5° | 180.0° |
| C19 | C04 | S | H1 | 89.9° | 156.5° |
| C07 | C08 | C19 | S09 | 179.8° | 179.9° |
| C07 | C08 | S09 | O11 | 112.0° | 156.5° |
| C07 | C08 | S09 | O10 | 19.5° | 23.6° |
| C07 | C08 | S09 | N12 | 128.8° | 90.0° |
| C08 | C07 | C06 | H061 | 180.0° | 179.9° |
| C07 | C08 | C19 | H191 | 179.7° | 180.0° |
| C19 | C08 | S09 | O11 | 68.1° | 23.6° |
| C19 | C08 | S09 | O10 | 160.3° | 156.5° |
| C19 | C08 | S09 | N12 | 51.0° | 89.9° |
| C19 | C08 | C07 | H071 | 179.9° | 180.0° |
| C08 | S09 | O11 | O10 | 120.6° | 122.9° |
| C08 | S09 | O11 | N12 | 118.9° | 114.1° |
| C08 | S09 | O10 | N12 | 114.3° | 114.1° |
| C08 | S09 | N12 | C13 | 67.2° | 65.0° |
| C08 | S09 | N12 | H121 | 55.3° | 114.7° |
| S09 | C08 | C07 | H071 | 0.1° | 0.1° |
| S09 | C08 | C19 | H191 | 0.2° | 0.1° |
| O11 | S09 | O10 | N12 | 123.8° | 123.0° |
| O11 | S09 | N12 | C13 | 175.4° | 48.5° |
| O11 | S09 | N12 | H121 | 62.2° | 131.7° |
| O10 | S09 | N12 | C13 | 43.3° | 178.5° |
| O10 | S09 | N12 | H121 | 165.8° | 1.2° |
| S09 | N12 | C13 | H121 | 122.5° | 179.7° |
| S09 | N12 | C13 | N18 | 6.1° | 0.0° |
| S09 | N12 | C13 | C14 | 173.9° | 179.8° |
| N12 | C13 | N18 | C14 | 180.0° | 179.7° |
| N12 | C13 | N18 | N17 | 179.9° | 180.0° |
| N12 | C13 | C14 | C15 | 179.9° | 180.0° |
| N12 | C13 | C14 | H141 | 0.1° | 0.0° |
| C13 | N18 | N17 | C16 | 0.0° | 0.0° |
| N18 | C13 | C14 | C15 | 0.1° | 0.2° |
| N18 | C13 | N12 | H121 | 116.4° | 179.7° |
| N18 | C13 | C14 | H141 | 179.9° | 179.7° |
| N17 | N18 | C13 | C14 | 0.1° | 0.2° |
| N18 | N17 | C16 | C15 | 0.0° | 0.3° |
| N18 | N17 | C16 | H161 | 180.0° | 179.9° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | N12 | H121 | 63.6° | 0.0° |
| C13 | C14 | C15 | H151 | 179.9° | 180.0° |
| N17 | C16 | C15 | C14 | 0.1° | 0.3° |
| N17 | C16 | C15 | H161 | 180.0° | 179.8° |
| N17 | C16 | C15 | H151 | 180.0° | 179.7° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | H161 | 179.9° | 180.0° |
| C16 | C15 | C14 | H141 | 179.9° | 180.0° |
| H151 | C15 | C14 | H141 | 0.1° | 0.0° |
| H151 | C15 | C16 | H161 | 0.0° | 0.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.0° |
| H061 | C06 | C07 | H071 | 0.0° | 0.1° |
