XJV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| N03 | C02 | sing | 1.34Å | 1.42Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| C05 | C04 | sing | 1.54Å | 1.49Å | |
| N06 | C05 | sing | 1.47Å | 1.44Å | |
| C02 | N06 | sing | 1.34Å | 1.44Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 129.3° | 123.1° |
| O01 | C02 | N06 | 124.2° | 123.1° |
| C02 | N03 | C04 | 110.5° | 109.2° |
| N03 | C02 | N06 | 106.6° | 113.9° |
| C02 | N03 | H031 | 124.7° | 125.4° |
| N03 | C04 | C05 | 105.8° | 103.8° |
| C04 | N03 | H031 | 124.7° | 125.4° |
| N03 | C04 | H041 | 110.4° | 110.5° |
| N03 | C04 | H042 | 110.4° | 110.6° |
| C04 | C05 | N06 | 106.5° | 103.9° |
| C05 | C04 | H041 | 110.4° | 110.6° |
| C05 | C04 | H042 | 110.4° | 110.7° |
| C04 | C05 | H051 | 110.2° | 110.5° |
| C04 | C05 | H052 | 110.2° | 110.5° |
| C05 | N06 | C02 | 109.8° | 109.2° |
| N06 | C05 | H051 | 110.2° | 110.8° |
| N06 | C05 | H052 | 110.2° | 110.5° |
| C05 | N06 | H061 | 125.1° | 125.4° |
| C02 | N06 | H061 | 125.1° | 125.3° |
| H041 | C04 | H042 | 109.5° | 110.5° |
| H051 | C05 | H052 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | N06 | 179.4° | 179.7° |
| O01 | C02 | N03 | C04 | 178.6° | 180.0° |
| O01 | C02 | N06 | C05 | 175.4° | 179.8° |
| O01 | C02 | N03 | H031 | 1.4° | 0.0° |
| O01 | C02 | N06 | H061 | 4.6° | 0.0° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 6.1° | 0.0° |
| N03 | C02 | N06 | C05 | 5.1° | 0.4° |
| C02 | N03 | C04 | H041 | 125.5° | 118.6° |
| C02 | N03 | C04 | H042 | 113.3° | 118.8° |
| N03 | C02 | N06 | H061 | 174.9° | 179.7° |
| N03 | C04 | C05 | H041 | 119.4° | 118.5° |
| N03 | C04 | C05 | H042 | 119.4° | 118.7° |
| N03 | C04 | C05 | N06 | 9.0° | 0.3° |
| C04 | N03 | C02 | N06 | 0.8° | 0.3° |
| N03 | C04 | H041 | H042 | 121.7° | 122.6° |
| N03 | C04 | C05 | H051 | 110.5° | 118.6° |
| N03 | C04 | C05 | H052 | 128.6° | 118.8° |
| C04 | C05 | N06 | H051 | 119.5° | 118.7° |
| C04 | C05 | N06 | H052 | 119.5° | 118.5° |
| C04 | C05 | N06 | C02 | 8.9° | 0.4° |
| C05 | C04 | N03 | H031 | 173.9° | 180.0° |
| C05 | C04 | H041 | H042 | 121.7° | 123.0° |
| C04 | C05 | H051 | H052 | 121.4° | 122.6° |
| C04 | C05 | N06 | H061 | 171.1° | 179.8° |
| C05 | N06 | C02 | H061 | 180.0° | 179.8° |
| N06 | C05 | C04 | H041 | 128.4° | 118.8° |
| N06 | C05 | C04 | H042 | 110.4° | 118.4° |
| N06 | C05 | H051 | H052 | 121.4° | 122.8° |
| N06 | C02 | N03 | H031 | 179.2° | 179.7° |
| C02 | N06 | C05 | H051 | 110.7° | 118.3° |
| C02 | N06 | C05 | H052 | 128.4° | 119.0° |
| H031 | N03 | C04 | H041 | 54.5° | 61.4° |
| H031 | N03 | C04 | H042 | 66.7° | 61.1° |
| H041 | C04 | C05 | H051 | 8.9° | 0.1° |
| H041 | C04 | C05 | H052 | 112.0° | 122.7° |
| H042 | C04 | C05 | H051 | 130.1° | 122.7° |
| H042 | C04 | C05 | H052 | 9.1° | 0.1° |
| H051 | C05 | N06 | H061 | 69.3° | 61.5° |
| H052 | C05 | N06 | H061 | 51.6° | 61.2° |
