YDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| C04 | N02 | sing | 1.35Å | 1.44Å | |
| O05 | C04 | doub | 1.21Å | 1.19Å | |
| C06 | C04 | sing | 1.51Å | 1.52Å | |
| N07 | C06 | sing | 1.46Å | 1.45Å | |
| C08 | N07 | sing | 1.35Å | 1.31Å | Aromatic |
| C09 | C08 | doub | 1.35Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| N11 | C10 | doub | 1.31Å | 1.33Å | Aromatic |
| N07 | N11 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 120.1° | 120.0° |
| C01 | N02 | C04 | 117.7° | 120.0° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| C03 | N02 | C04 | 122.3° | 120.0° |
| N02 | C03 | H032 | 109.5° | 109.4° |
| N02 | C03 | H033 | 109.4° | 109.5° |
| N02 | C03 | H031 | 109.5° | 109.5° |
| N02 | C04 | O05 | 117.8° | 120.0° |
| N02 | C04 | C06 | 122.3° | 120.0° |
| O05 | C04 | C06 | 119.9° | 120.0° |
| C04 | C06 | N07 | 106.6° | 109.5° |
| C04 | C06 | H061 | 110.2° | 109.5° |
| C04 | C06 | H062 | 110.2° | 109.4° |
| C06 | N07 | C08 | 124.3° | 126.1° |
| C06 | N07 | N11 | 125.7° | 126.0° |
| N07 | C06 | H061 | 110.2° | 109.5° |
| N07 | C06 | H062 | 110.2° | 109.5° |
| N07 | C08 | C09 | 106.8° | 107.8° |
| C08 | N07 | N11 | 110.0° | 107.9° |
| N07 | C08 | H081 | 126.6° | 126.1° |
| C08 | C09 | C10 | 109.0° | 107.9° |
| C09 | C08 | H081 | 126.6° | 126.1° |
| C08 | C09 | H091 | 125.5° | 126.1° |
| C09 | C10 | N11 | 107.2° | 108.2° |
| C09 | C10 | H101 | 126.4° | 125.9° |
| C10 | C09 | H091 | 125.5° | 126.0° |
| C10 | N11 | N07 | 107.0° | 108.2° |
| N11 | C10 | H101 | 126.4° | 125.9° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.4° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 179.4° | 180.0° |
| C01 | N02 | C04 | O05 | 0.5° | 0.0° |
| C01 | N02 | C04 | C06 | 180.0° | 180.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | N02 | C03 | H032 | 180.0° | 90.0° |
| C01 | N02 | C03 | H033 | 60.0° | 150.0° |
| C01 | N02 | C03 | H031 | 60.0° | 29.9° |
| C03 | N02 | C04 | O05 | 179.9° | 179.9° |
| C03 | N02 | C04 | C06 | 0.6° | 0.0° |
| C03 | N02 | C01 | H012 | 180.0° | 90.0° |
| C03 | N02 | C01 | H011 | 60.0° | 150.0° |
| C03 | N02 | C01 | H013 | 60.0° | 30.1° |
| N02 | C03 | H032 | H033 | 120.0° | 120.0° |
| N02 | C03 | H032 | H031 | 120.0° | 119.9° |
| N02 | C03 | H033 | H031 | 120.0° | 120.0° |
| N02 | C04 | O05 | C06 | 179.5° | 180.0° |
| N02 | C04 | C06 | N07 | 174.7° | 180.0° |
| C04 | N02 | C01 | H012 | 0.6° | 90.0° |
| C04 | N02 | C01 | H011 | 119.4° | 30.0° |
| C04 | N02 | C01 | H013 | 120.6° | 150.0° |
| C04 | N02 | C03 | H032 | 0.6° | 90.1° |
| C04 | N02 | C03 | H033 | 120.6° | 30.0° |
| C04 | N02 | C03 | H031 | 119.4° | 150.0° |
| N02 | C04 | C06 | H061 | 65.8° | 60.0° |
| N02 | C04 | C06 | H062 | 55.1° | 60.0° |
| O05 | C04 | C06 | N07 | 5.9° | 0.0° |
| O05 | C04 | C06 | H061 | 113.7° | 120.0° |
| O05 | C04 | C06 | H062 | 125.4° | 120.0° |
| C04 | C06 | N07 | H061 | 119.5° | 120.0° |
| C04 | C06 | N07 | H062 | 119.5° | 120.0° |
| C04 | C06 | N07 | C08 | 154.5° | 125.3° |
| C04 | C06 | N07 | N11 | 23.7° | 55.0° |
| C04 | C06 | H061 | H062 | 121.3° | 119.9° |
| C06 | N07 | C08 | N11 | 178.5° | 179.7° |
| C06 | N07 | C08 | C09 | 179.0° | 179.9° |
| C06 | N07 | N11 | C10 | 178.5° | 180.0° |
| N07 | C06 | H061 | H062 | 121.3° | 120.1° |
| C06 | N07 | C08 | H081 | 1.0° | 0.0° |
| N07 | C08 | C09 | H081 | 180.0° | 179.9° |
| N07 | C08 | C09 | C10 | 0.8° | 0.4° |
| C08 | N07 | N11 | C10 | 0.0° | 0.2° |
| C08 | N07 | C06 | H061 | 86.0° | 5.3° |
| C08 | N07 | C06 | H062 | 35.0° | 114.8° |
| N07 | C08 | C09 | H091 | 179.2° | 179.6° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 0.8° | 0.2° |
| C09 | C08 | N07 | N11 | 0.5° | 0.4° |
| C08 | C09 | C10 | H101 | 179.2° | 179.9° |
| C09 | C10 | N11 | H101 | 180.0° | 179.7° |
| C09 | C10 | N11 | N07 | 0.5° | 0.0° |
| C10 | C09 | C08 | H081 | 179.2° | 179.8° |
| N11 | C10 | C09 | H091 | 179.2° | 179.8° |
| N07 | N11 | C10 | H101 | 179.6° | 179.7° |
| N11 | N07 | C06 | H061 | 95.8° | 175.0° |
| N11 | N07 | C06 | H062 | 143.3° | 64.9° |
| N11 | N07 | C08 | H081 | 179.5° | 179.8° |
| H101 | C10 | C09 | H091 | 0.8° | 0.1° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H032 | C03 | H033 | H031 | 120.0° | 120.0° |
| H081 | C08 | C09 | H091 | 0.8° | 0.2° |
