W0K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | N04 | sing | 1.35Å | 1.45Å | |
| C05 | N04 | sing | 1.46Å | 1.45Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | S07 | sing | 1.81Å | 1.81Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| S07 | H1 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | C01 | 121.1° | 120.0° |
| O03 | C02 | N04 | 120.4° | 120.0° |
| C01 | C02 | N04 | 118.4° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C02 | N04 | C05 | 120.5° | 120.0° |
| C02 | N04 | H041 | 119.7° | 120.0° |
| N04 | C05 | C06 | 107.4° | 109.5° |
| N04 | C05 | H052 | 110.0° | 109.5° |
| N04 | C05 | H051 | 110.0° | 109.5° |
| C05 | N04 | H041 | 119.7° | 120.0° |
| C05 | C06 | S07 | 111.0° | 109.5° |
| C06 | C05 | H052 | 110.0° | 109.5° |
| C06 | C05 | H051 | 110.0° | 109.4° |
| C05 | C06 | H062 | 109.1° | 109.4° |
| C05 | C06 | H061 | 109.1° | 109.4° |
| S07 | C06 | H062 | 109.1° | 109.5° |
| S07 | C06 | H061 | 109.1° | 109.5° |
| C06 | S07 | H1 | 102.0° | 103.0° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C01 | N04 | 179.7° | 180.0° |
| O03 | C02 | N04 | C05 | 0.1° | 0.0° |
| O03 | C02 | C01 | H011 | 0.0° | 180.0° |
| O03 | C02 | C01 | H012 | 120.0° | 60.0° |
| O03 | C02 | C01 | H013 | 120.0° | 60.0° |
| O03 | C02 | N04 | H041 | 179.9° | 180.0° |
| C01 | C02 | N04 | C05 | 179.8° | 180.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | N04 | H041 | 0.2° | 0.0° |
| C02 | N04 | C05 | H041 | 180.0° | 180.0° |
| C02 | N04 | C05 | C06 | 91.2° | 180.0° |
| N04 | C02 | C01 | H011 | 179.7° | 0.0° |
| N04 | C02 | C01 | H012 | 60.4° | 120.0° |
| N04 | C02 | C01 | H013 | 59.7° | 120.0° |
| C02 | N04 | C05 | H052 | 149.1° | 60.0° |
| C02 | N04 | C05 | H051 | 28.5° | 60.0° |
| N04 | C05 | C06 | H052 | 119.6° | 120.1° |
| N04 | C05 | C06 | H051 | 119.7° | 120.0° |
| N04 | C05 | C06 | S07 | 179.4° | 180.0° |
| N04 | C05 | H052 | H051 | 121.0° | 120.0° |
| N04 | C05 | C06 | H062 | 60.4° | 60.0° |
| N04 | C05 | C06 | H061 | 59.1° | 60.0° |
| C05 | C06 | S07 | H062 | 120.2° | 119.9° |
| C05 | C06 | S07 | H061 | 120.2° | 120.0° |
| C06 | C05 | H052 | H051 | 121.0° | 119.9° |
| C05 | C06 | H062 | H061 | 119.3° | 120.0° |
| C06 | C05 | N04 | H041 | 88.8° | 0.0° |
| C05 | C06 | S07 | H1 | 180.0° | 180.0° |
| S07 | C06 | C05 | H052 | 59.7° | 59.9° |
| S07 | C06 | C05 | H051 | 61.0° | 60.0° |
| S07 | C06 | H062 | H061 | 119.3° | 120.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H052 | C05 | C06 | H062 | 179.9° | 60.0° |
| H052 | C05 | C06 | H061 | 60.5° | 180.0° |
| H052 | C05 | N04 | H041 | 30.9° | 120.0° |
| H051 | C05 | C06 | H062 | 59.3° | 180.0° |
| H051 | C05 | C06 | H061 | 178.8° | 60.0° |
| H051 | C05 | N04 | H041 | 151.5° | 120.0° |
| H062 | C06 | S07 | H1 | 59.8° | 60.1° |
| H061 | C06 | S07 | H1 | 59.8° | 60.0° |
