YRL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C09 | sing | 1.43Å | 1.37Å | |
| C09 | C08 | sing | 1.53Å | 1.49Å | |
| C08 | C01 | sing | 1.51Å | 1.49Å | |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.38Å | 1.36Å | Aromatic |
| C03 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C06 | doub | 1.39Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | O07 | sing | 1.36Å | 1.41Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C09 | C08 | 107.3° | 109.5° |
| O10 | C09 | H092 | 110.0° | 109.5° |
| O10 | C09 | H091 | 110.0° | 109.5° |
| C09 | O10 | H101 | 109.5° | 114.0° |
| C09 | C08 | C01 | 110.6° | 109.5° |
| C09 | C08 | H082 | 109.2° | 109.5° |
| C09 | C08 | H081 | 109.2° | 109.5° |
| C08 | C09 | H092 | 110.0° | 109.5° |
| C08 | C09 | H091 | 110.0° | 109.5° |
| C08 | C01 | C02 | 118.0° | 120.0° |
| C08 | C01 | C03 | 120.4° | 119.9° |
| C01 | C08 | H082 | 109.2° | 109.5° |
| C01 | C08 | H081 | 109.2° | 109.5° |
| C02 | C01 | C03 | 121.6° | 120.1° |
| C01 | C02 | C04 | 119.1° | 120.1° |
| C01 | C02 | H021 | 120.5° | 120.0° |
| C01 | C03 | C05 | 118.5° | 120.1° |
| C01 | C03 | H031 | 120.8° | 120.0° |
| C02 | C04 | C06 | 119.5° | 119.9° |
| C04 | C02 | H021 | 120.4° | 120.0° |
| C02 | C04 | H041 | 120.2° | 120.0° |
| C03 | C05 | C06 | 118.8° | 119.9° |
| C05 | C03 | H031 | 120.8° | 120.0° |
| C03 | C05 | H051 | 120.6° | 120.1° |
| C04 | C06 | C05 | 122.5° | 119.9° |
| C04 | C06 | O07 | 112.0° | 120.0° |
| C06 | C04 | H041 | 120.2° | 120.0° |
| C05 | C06 | O07 | 125.4° | 120.0° |
| C06 | C05 | H051 | 120.6° | 120.0° |
| C06 | O07 | H071 | 109.5° | 114.0° |
| H082 | C08 | H081 | 109.5° | 109.4° |
| H092 | C09 | H091 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C09 | C08 | H092 | 119.7° | 120.0° |
| O10 | C09 | C08 | H091 | 119.7° | 120.0° |
| O10 | C09 | C08 | C01 | 159.8° | 180.0° |
| O10 | C09 | C08 | H082 | 39.6° | 60.0° |
| O10 | C09 | C08 | H081 | 80.1° | 60.0° |
| O10 | C09 | H092 | H091 | 121.0° | 120.0° |
| C09 | C08 | C01 | H082 | 120.2° | 120.0° |
| C09 | C08 | C01 | H081 | 120.2° | 120.0° |
| C09 | C08 | C01 | C02 | 175.7° | 90.0° |
| C09 | C08 | C01 | C03 | 3.6° | 90.3° |
| C09 | C08 | H082 | H081 | 119.4° | 120.0° |
| C08 | C09 | H092 | H091 | 121.0° | 120.0° |
| C08 | C09 | O10 | H101 | 180.0° | 180.0° |
| C08 | C01 | C02 | C03 | 179.3° | 179.7° |
| C08 | C01 | C02 | C04 | 178.9° | 179.7° |
| C08 | C01 | C03 | C05 | 179.6° | 179.7° |
| C08 | C01 | C02 | H021 | 1.1° | 0.4° |
| C08 | C01 | C03 | H031 | 0.4° | 0.3° |
| C01 | C08 | H082 | H081 | 119.5° | 120.0° |
| C01 | C08 | C09 | H092 | 80.6° | 60.0° |
| C01 | C08 | C09 | H091 | 40.1° | 60.0° |
| C01 | C02 | C04 | H021 | 180.0° | 179.9° |
| C02 | C01 | C03 | C05 | 1.1° | 0.0° |
| C01 | C02 | C04 | C06 | 1.6° | 0.0° |
| C02 | C01 | C03 | H031 | 178.9° | 180.0° |
| C01 | C02 | C04 | H041 | 178.4° | 179.9° |
| C02 | C01 | C08 | H082 | 55.5° | 149.9° |
| C02 | C01 | C08 | H081 | 64.1° | 30.0° |
| C03 | C01 | C02 | C04 | 1.8° | 0.0° |
| C01 | C03 | C05 | H031 | 180.0° | 180.0° |
| C01 | C03 | C05 | C06 | 0.3° | 0.1° |
| C03 | C01 | C02 | H021 | 178.3° | 179.9° |
| C01 | C03 | C05 | H051 | 179.7° | 180.0° |
| C03 | C01 | C08 | H082 | 123.8° | 29.8° |
| C03 | C01 | C08 | H081 | 116.5° | 149.7° |
| C02 | C04 | C06 | H041 | 180.0° | 180.0° |
| C02 | C04 | C06 | C05 | 0.8° | 0.0° |
| C02 | C04 | C06 | O07 | 179.6° | 180.0° |
| C03 | C05 | C06 | C04 | 0.1° | 0.1° |
| C03 | C05 | C06 | H051 | 180.0° | 180.0° |
| C03 | C05 | C06 | O07 | 179.7° | 179.9° |
| C04 | C06 | C05 | O07 | 179.5° | 180.0° |
| C06 | C04 | C02 | H021 | 178.5° | 179.9° |
| C04 | C06 | C05 | H051 | 179.9° | 180.0° |
| C04 | C06 | O07 | H071 | 180.0° | 90.0° |
| C06 | C05 | C03 | H031 | 179.7° | 180.0° |
| C05 | C06 | C04 | H041 | 179.2° | 180.0° |
| C05 | C06 | O07 | H071 | 0.4° | 90.0° |
| O07 | C06 | C04 | H041 | 0.4° | 0.0° |
| O07 | C06 | C05 | H051 | 0.3° | 0.0° |
| H021 | C02 | C04 | H041 | 1.5° | 0.0° |
| H031 | C03 | C05 | H051 | 0.3° | 0.0° |
| H082 | C08 | C09 | H092 | 159.3° | 180.0° |
| H082 | C08 | C09 | H091 | 80.1° | 60.0° |
| H081 | C08 | C09 | H092 | 39.6° | 60.0° |
| H081 | C08 | C09 | H091 | 160.3° | 180.0° |
| H092 | C09 | O10 | H101 | 60.4° | 60.0° |
| H091 | C09 | O10 | H101 | 60.3° | 60.0° |
