Y1R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | O07 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| N08 | C02 | sing | 1.35Å | 1.33Å | Aromatic |
| N08 | N09 | sing | 1.40Å | 1.38Å | Aromatic |
| C02 | C01 | doub | 1.35Å | 1.36Å | Aromatic |
| N09 | C10 | doub | 1.31Å | 1.33Å | Aromatic |
| C01 | C10 | sing | 1.40Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| N08 | H7 | sing | 0.97Å | 1.00Å | |
| O07 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | O07 | 110.0° | 109.4° |
| C04 | C03 | C02 | 109.1° | 109.5° |
| C04 | C03 | H3 | 108.9° | 109.4° |
| C03 | C04 | H4 | 109.5° | 109.5° |
| C03 | C04 | H5 | 109.5° | 109.5° |
| C03 | C04 | H6 | 109.5° | 109.5° |
| O07 | C03 | C02 | 109.0° | 109.5° |
| O07 | C03 | H3 | 110.7° | 109.5° |
| C03 | O07 | H8 | 109.5° | 114.1° |
| C03 | C02 | N08 | 125.7° | 126.1° |
| C03 | C02 | C01 | 125.9° | 126.1° |
| C02 | C03 | H3 | 109.0° | 109.5° |
| C02 | N08 | N09 | 107.7° | 107.9° |
| N08 | C02 | C01 | 108.4° | 107.8° |
| C02 | N08 | H7 | 126.1° | 126.1° |
| N08 | N09 | C10 | 108.0° | 108.2° |
| N09 | N08 | H7 | 126.1° | 126.0° |
| C02 | C01 | C10 | 107.6° | 107.9° |
| C02 | C01 | H2 | 126.2° | 126.1° |
| N09 | C10 | C01 | 108.2° | 108.1° |
| N09 | C10 | H1 | 125.9° | 125.9° |
| C01 | C10 | H1 | 125.9° | 125.9° |
| C10 | C01 | H2 | 126.2° | 126.0° |
| H4 | C04 | H5 | 109.5° | 109.4° |
| H4 | C04 | H6 | 109.5° | 109.4° |
| H5 | C04 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | O07 | C02 | 119.6° | 120.0° |
| C04 | C03 | O07 | H3 | 120.5° | 119.9° |
| C04 | C03 | C02 | H3 | 118.9° | 120.0° |
| C04 | C03 | C02 | N08 | 10.9° | 95.0° |
| C04 | C03 | C02 | C01 | 169.0° | 85.0° |
| C03 | C04 | H4 | H5 | 120.0° | 120.0° |
| C03 | C04 | H4 | H6 | 120.0° | 120.0° |
| C03 | C04 | H5 | H6 | 120.0° | 120.0° |
| C04 | C03 | O07 | H8 | 180.0° | 60.0° |
| O07 | C03 | C02 | H3 | 121.0° | 120.1° |
| O07 | C03 | C02 | N08 | 131.0° | 145.1° |
| O07 | C03 | C02 | C01 | 48.9° | 35.0° |
| O07 | C03 | C04 | H4 | 180.0° | 180.0° |
| O07 | C03 | C04 | H5 | 60.0° | 60.0° |
| O07 | C03 | C04 | H6 | 60.0° | 60.0° |
| C03 | C02 | N08 | C01 | 179.9° | 180.0° |
| C03 | C02 | N08 | N09 | 179.9° | 179.7° |
| C03 | C02 | C01 | C10 | 179.8° | 180.0° |
| C03 | C02 | C01 | H2 | 0.3° | 0.1° |
| C02 | C03 | C04 | H4 | 60.5° | 60.0° |
| C02 | C03 | C04 | H5 | 179.5° | 180.0° |
| C02 | C03 | C04 | H6 | 59.5° | 60.0° |
| C03 | C02 | N08 | H7 | 0.2° | 0.0° |
| C02 | C03 | O07 | H8 | 60.4° | 180.0° |
| C02 | N08 | N09 | H7 | 180.0° | 179.8° |
| C02 | N08 | N09 | C10 | 0.0° | 0.5° |
| N08 | C02 | C01 | C10 | 0.2° | 0.1° |
| N08 | C02 | C01 | H2 | 179.8° | 180.0° |
| N08 | C02 | C03 | H3 | 108.0° | 25.0° |
| N09 | N08 | C02 | C01 | 0.1° | 0.2° |
| N08 | N09 | C10 | C01 | 0.1° | 0.5° |
| N08 | N09 | C10 | H1 | 179.8° | 179.9° |
| C02 | C01 | C10 | N09 | 0.2° | 0.4° |
| C02 | C01 | C10 | H2 | 180.0° | 179.9° |
| C02 | C01 | C10 | H1 | 179.8° | 180.0° |
| C01 | C02 | C03 | H3 | 72.1° | 155.0° |
| C01 | C02 | N08 | H7 | 179.9° | 180.0° |
| N09 | C10 | C01 | H1 | 180.0° | 179.6° |
| N09 | C10 | C01 | H2 | 179.8° | 179.8° |
| C10 | N09 | N08 | H7 | 180.0° | 179.8° |
| H1 | C10 | C01 | H2 | 0.2° | 0.1° |
| H3 | C03 | C04 | H4 | 58.4° | 60.0° |
| H3 | C03 | C04 | H5 | 61.6° | 60.0° |
| H3 | C03 | C04 | H6 | 178.5° | 180.0° |
| H3 | C03 | O07 | H8 | 59.6° | 59.9° |
| H4 | C04 | H5 | H6 | 120.0° | 119.9° |
