WMU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.46Å | |
| S | O3 | doub | 1.42Å | 1.46Å | |
| S | C04 | sing | 1.76Å | 1.81Å | |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | S10 | sing | 1.76Å | 1.81Å | |
| O12 | S10 | doub | 1.42Å | 1.46Å | |
| S10 | O11 | doub | 1.42Å | 1.46Å | |
| S10 | N13 | sing | 1.66Å | 1.71Å | |
| N13 | C14 | sing | 1.39Å | 1.45Å | |
| C19 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N17 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.32Å | Aromatic |
| 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 | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| S | H1 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O3 | 120.0° | 123.1° |
| O2 | S | C04 | 110.3° | 106.4° |
| O2 | S | H1 | 106.4° | 106.4° |
| O3 | S | C04 | 109.1° | 106.4° |
| O3 | S | H1 | 106.4° | 106.4° |
| S | C04 | C05 | 122.0° | 120.0° |
| S | C04 | C09 | 117.8° | 120.0° |
| C04 | S | H1 | 103.2° | 107.3° |
| C04 | C05 | C06 | 119.6° | 120.0° |
| C05 | C04 | C09 | 120.2° | 120.0° |
| C04 | C05 | H051 | 120.2° | 120.0° |
| C05 | C06 | C07 | 120.1° | 120.0° |
| C06 | C05 | H051 | 120.2° | 120.0° |
| C05 | C06 | H061 | 119.9° | 120.0° |
| C04 | C09 | C08 | 120.2° | 120.0° |
| C04 | C09 | H091 | 119.9° | 120.0° |
| C06 | C07 | C08 | 119.6° | 120.0° |
| C07 | C06 | H061 | 119.9° | 120.0° |
| C06 | C07 | H071 | 120.2° | 120.0° |
| C09 | C08 | C07 | 120.2° | 120.0° |
| C09 | C08 | S10 | 118.3° | 120.0° |
| C08 | C09 | H091 | 119.9° | 120.0° |
| C07 | C08 | S10 | 121.4° | 120.0° |
| C08 | C07 | H071 | 120.2° | 120.0° |
| C08 | S10 | O12 | 111.5° | 106.4° |
| C08 | S10 | O11 | 111.3° | 106.4° |
| C08 | S10 | N13 | 109.0° | 107.2° |
| O12 | S10 | O11 | 101.4° | 123.2° |
| O12 | S10 | N13 | 111.5° | 106.4° |
| O11 | S10 | N13 | 112.0° | 106.4° |
| S10 | N13 | C14 | 121.1° | 120.0° |
| S10 | N13 | H131 | 106.5° | 120.0° |
| N13 | C14 | C19 | 121.3° | 120.8° |
| N13 | C14 | C15 | 119.4° | 120.9° |
| C14 | N13 | H131 | 106.4° | 120.0° |
| C14 | C19 | C18 | 118.2° | 119.1° |
| C19 | C14 | C15 | 119.3° | 118.3° |
| C14 | C19 | H191 | 120.9° | 120.5° |
| C19 | C18 | N17 | 121.5° | 120.8° |
| C19 | C18 | H181 | 119.2° | 119.6° |
| C18 | C19 | H191 | 120.9° | 120.4° |
| C14 | C15 | C16 | 118.5° | 119.1° |
| C14 | C15 | H151 | 120.7° | 120.5° |
| C18 | N17 | C16 | 121.0° | 121.9° |
| N17 | C18 | H181 | 119.2° | 119.5° |
| C15 | C16 | N17 | 121.4° | 120.9° |
| C16 | C15 | H151 | 120.7° | 120.4° |
| C15 | C16 | H161 | 119.3° | 119.6° |
| N17 | C16 | H161 | 119.3° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O3 | C04 | 128.6° | 122.9° |
| O2 | S | O3 | H1 | 120.6° | 122.9° |
| O2 | S | C04 | H1 | 113.3° | 113.5° |
| O2 | S | C04 | C05 | 28.2° | 89.7° |
| O2 | S | C04 | C09 | 150.3° | 90.1° |
| O3 | S | C04 | H1 | 112.9° | 113.6° |
| O3 | S | C04 | C05 | 162.0° | 43.2° |
| O3 | S | C04 | C09 | 16.5° | 137.0° |
| S | C04 | C05 | C09 | 178.5° | 179.8° |
| S | C04 | C05 | C06 | 179.3° | 179.8° |
| S | C04 | C09 | C08 | 179.4° | 179.7° |
| S | C04 | C05 | H051 | 0.6° | 0.3° |
| S | C04 | C09 | H091 | 0.6° | 0.2° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.4° | 0.0° |
| C05 | C04 | C09 | C08 | 0.8° | 0.1° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| C05 | C04 | C09 | H091 | 179.2° | 180.0° |
| C05 | C04 | S | H1 | 85.1° | 156.7° |
| C06 | C05 | C04 | C09 | 0.8° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.2° | 0.0° |
| C05 | C06 | C07 | H071 | 179.8° | 180.0° |
| C04 | C09 | C08 | H091 | 180.0° | 179.9° |
| C04 | C09 | C08 | C07 | 0.3° | 0.1° |
| C04 | C09 | C08 | S10 | 179.4° | 180.0° |
| C09 | C04 | C05 | H051 | 179.1° | 179.9° |
| C09 | C04 | S | H1 | 96.4° | 23.5° |
| C06 | C07 | C08 | C09 | 0.2° | 0.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | S10 | 179.8° | 180.0° |
| C07 | C06 | C05 | H051 | 179.6° | 179.9° |
| C09 | C08 | C07 | S10 | 179.6° | 179.9° |
| C09 | C08 | S10 | O12 | 71.2° | 155.5° |
| C09 | C08 | S10 | O11 | 176.4° | 22.5° |
| C09 | C08 | S10 | N13 | 52.4° | 91.0° |
| C09 | C08 | C07 | H071 | 179.8° | 179.9° |
| C07 | C08 | S10 | O12 | 109.2° | 24.5° |
| C07 | C08 | S10 | O11 | 3.2° | 157.5° |
| C07 | C08 | S10 | N13 | 127.2° | 89.0° |
| C08 | C07 | C06 | H061 | 179.8° | 180.0° |
| C07 | C08 | C09 | H091 | 179.7° | 180.0° |
| C08 | S10 | O12 | O11 | 118.5° | 123.0° |
| C08 | S10 | O12 | N13 | 122.2° | 114.1° |
| C08 | S10 | O11 | N13 | 122.3° | 114.1° |
| C08 | S10 | N13 | C14 | 72.6° | 63.1° |
| S10 | C08 | C07 | H071 | 0.2° | 0.0° |
| S10 | C08 | C09 | H091 | 0.7° | 0.1° |
| C08 | S10 | N13 | H131 | 49.0° | 116.8° |
| O12 | S10 | O11 | N13 | 119.0° | 122.9° |
| O12 | S10 | N13 | C14 | 163.8° | 50.4° |
| O12 | S10 | N13 | H131 | 74.6° | 129.7° |
| O11 | S10 | N13 | C14 | 50.9° | 176.7° |
| O11 | S10 | N13 | H131 | 172.5° | 3.2° |
| S10 | N13 | C14 | H131 | 121.6° | 179.9° |
| S10 | N13 | C14 | C19 | 8.3° | 75.5° |
| S10 | N13 | C14 | C15 | 171.8° | 104.6° |
| N13 | C14 | C19 | C15 | 179.9° | 179.9° |
| N13 | C14 | C19 | C18 | 180.0° | 179.9° |
| N13 | C14 | C15 | C16 | 180.0° | 179.9° |
| N13 | C14 | C15 | H151 | 0.0° | 0.3° |
| N13 | C14 | C19 | H191 | 0.0° | 0.0° |
| C14 | C19 | C18 | H191 | 180.0° | 180.0° |
| C14 | C19 | C18 | N17 | 0.0° | 0.3° |
| C19 | C14 | C15 | C16 | 0.1° | 0.0° |
| C19 | C14 | C15 | H151 | 179.9° | 179.8° |
| C14 | C19 | C18 | H181 | 180.0° | 179.7° |
| C19 | C14 | N13 | H131 | 113.3° | 104.6° |
| C18 | C19 | C14 | C15 | 0.1° | 0.0° |
| C19 | C18 | N17 | H181 | 180.0° | 179.4° |
| C19 | C18 | N17 | C16 | 0.1° | 0.6° |
| C14 | C15 | C16 | H151 | 180.0° | 179.8° |
| C14 | C15 | C16 | N17 | 0.0° | 0.2° |
| C14 | C15 | C16 | H161 | 179.9° | 179.7° |
| C15 | C14 | C19 | H191 | 179.9° | 180.0° |
| C15 | C14 | N13 | H131 | 66.6° | 75.3° |
| C18 | N17 | C16 | C15 | 0.1° | 0.5° |
| C18 | N17 | C16 | H161 | 179.9° | 179.4° |
| N17 | C18 | C19 | H191 | 180.0° | 179.7° |
| C15 | C16 | N17 | H161 | 180.0° | 179.9° |
| N17 | C16 | C15 | H151 | 180.0° | 180.0° |
| C16 | N17 | C18 | H181 | 179.9° | 179.9° |
| H151 | C15 | C16 | H161 | 0.0° | 0.1° |
| H051 | C05 | C06 | H061 | 0.4° | 0.1° |
| H061 | C06 | C07 | H071 | 0.2° | 0.0° |
| H181 | C18 | C19 | H191 | 0.0° | 0.3° |
