XGM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.51Å | 1.51Å | |
| O04 | C03 | doub | 1.21Å | 1.20Å | |
| N05 | C03 | sing | 1.35Å | 1.44Å | |
| O06 | N05 | sing | 1.42Å | 1.35Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| O06 | H061 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 115.0° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H022 | 108.1° | 109.5° |
| C01 | C02 | H021 | 108.0° | 109.5° |
| C02 | C03 | O04 | 122.5° | 120.1° |
| C02 | C03 | N05 | 113.5° | 120.0° |
| C03 | C02 | H022 | 108.1° | 109.5° |
| C03 | C02 | H021 | 108.1° | 109.5° |
| O04 | C03 | N05 | 124.0° | 120.0° |
| C03 | N05 | O06 | 120.0° | 120.0° |
| C03 | N05 | H051 | 120.0° | 120.0° |
| O06 | N05 | H051 | 120.0° | 120.0° |
| N05 | O06 | H061 | 109.5° | 114.0° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H022 | 120.8° | 119.9° |
| C01 | C02 | C03 | H021 | 120.8° | 120.0° |
| C01 | C02 | C03 | O04 | 138.1° | 0.0° |
| C01 | C02 | C03 | N05 | 42.5° | 180.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 117.5° | 120.0° |
| C02 | C03 | O04 | N05 | 179.3° | 180.0° |
| C02 | C03 | N05 | O06 | 179.9° | 180.0° |
| C03 | C02 | C01 | H012 | 180.0° | 180.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | H022 | H021 | 117.5° | 120.0° |
| C02 | C03 | N05 | H051 | 0.1° | 0.1° |
| O04 | C03 | N05 | O06 | 0.5° | 0.0° |
| O04 | C03 | C02 | H022 | 17.3° | 119.9° |
| O04 | C03 | C02 | H021 | 101.1° | 120.0° |
| O04 | C03 | N05 | H051 | 179.5° | 179.9° |
| C03 | N05 | O06 | H051 | 180.0° | 179.9° |
| N05 | C03 | C02 | H022 | 163.3° | 60.1° |
| N05 | C03 | C02 | H021 | 78.3° | 60.0° |
| C03 | N05 | O06 | H061 | 0.2° | 180.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H012 | C01 | C02 | H022 | 59.2° | 60.1° |
| H012 | C01 | C02 | H021 | 59.2° | 60.0° |
| H013 | C01 | C02 | H022 | 60.8° | 60.0° |
| H013 | C01 | C02 | H021 | 179.2° | 180.0° |
| H011 | C01 | C02 | H022 | 179.2° | 180.0° |
| H011 | C01 | C02 | H021 | 60.8° | 59.9° |
| H051 | N05 | O06 | H061 | 179.8° | 0.1° |
