L3K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C10 | doub | 1.22Å | 1.26Å | |
| C10 | O11 | sing | 1.35Å | 1.26Å | |
| C10 | C03 | sing | 1.48Å | 1.52Å | |
| C02 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| BR09 | C08 | sing | 1.97Å | 1.94Å | |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| O11 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C10 | O11 | 121.1° | 120.0° |
| O12 | C10 | C03 | 119.3° | 120.0° |
| O11 | C10 | C03 | 119.5° | 120.0° |
| C10 | O11 | H1 | 109.5° | 117.0° |
| C10 | C03 | C02 | 120.4° | 120.1° |
| C10 | C03 | C04 | 119.0° | 120.2° |
| C03 | C02 | C01 | 119.8° | 119.8° |
| C02 | C03 | C04 | 120.6° | 119.7° |
| C03 | C02 | H021 | 120.1° | 120.1° |
| C02 | C01 | C06 | 119.7° | 120.2° |
| C02 | C01 | H011 | 120.1° | 119.9° |
| C01 | C02 | H021 | 120.1° | 120.0° |
| C03 | C04 | C05 | 119.6° | 119.9° |
| C03 | C04 | H041 | 120.2° | 120.1° |
| C01 | C06 | C05 | 120.2° | 120.3° |
| C01 | C06 | C07 | 122.0° | 119.9° |
| C06 | C01 | H011 | 120.1° | 119.9° |
| BR09 | C08 | C07 | 107.8° | 109.5° |
| BR09 | C08 | H082 | 109.9° | 109.5° |
| BR09 | C08 | H081 | 109.9° | 109.5° |
| C04 | C05 | C06 | 120.0° | 120.1° |
| C05 | C04 | H041 | 120.2° | 120.1° |
| C04 | C05 | H051 | 120.0° | 120.0° |
| C05 | C06 | C07 | 117.7° | 119.8° |
| C06 | C05 | H051 | 120.0° | 119.9° |
| C06 | C07 | C08 | 117.6° | 109.5° |
| C06 | C07 | H072 | 107.4° | 109.5° |
| C06 | C07 | H071 | 107.4° | 109.5° |
| C08 | C07 | H072 | 107.4° | 109.5° |
| C08 | C07 | H071 | 107.4° | 109.5° |
| C07 | C08 | H082 | 109.9° | 109.5° |
| C07 | C08 | H081 | 109.9° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C10 | O11 | C03 | 178.5° | 179.9° |
| O12 | C10 | C03 | C02 | 19.3° | 0.0° |
| O12 | C10 | C03 | C04 | 159.9° | 180.0° |
| O12 | C10 | O11 | H1 | 0.0° | 0.1° |
| O11 | C10 | C03 | C02 | 162.1° | 180.0° |
| O11 | C10 | C03 | C04 | 18.7° | 0.0° |
| C10 | C03 | C02 | C04 | 179.2° | 180.0° |
| C10 | C03 | C02 | C01 | 179.4° | 180.0° |
| C10 | C03 | C04 | C05 | 179.4° | 180.0° |
| C10 | C03 | C02 | H021 | 0.6° | 0.0° |
| C10 | C03 | C04 | H041 | 0.6° | 0.0° |
| C03 | C10 | O11 | H1 | 178.5° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.1° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C01 | H011 | 179.9° | 179.7° |
| C02 | C03 | C04 | H041 | 179.8° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | C06 | H011 | 180.0° | 179.8° |
| C02 | C01 | C06 | C05 | 0.3° | 0.1° |
| C02 | C01 | C06 | C07 | 179.5° | 179.8° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.3° | 0.0° |
| C01 | C06 | C05 | C07 | 179.2° | 179.7° |
| C01 | C06 | C07 | C08 | 14.6° | 90.0° |
| C06 | C01 | C02 | H021 | 179.9° | 179.9° |
| C01 | C06 | C05 | H051 | 179.7° | 180.0° |
| C01 | C06 | C07 | H072 | 135.7° | 149.9° |
| C01 | C06 | C07 | H071 | 106.6° | 30.0° |
| BR09 | C08 | C07 | C06 | 92.0° | 180.0° |
| BR09 | C08 | C07 | H082 | 119.7° | 120.0° |
| BR09 | C08 | C07 | H081 | 119.8° | 120.0° |
| BR09 | C08 | C07 | H072 | 29.1° | 60.0° |
| BR09 | C08 | C07 | H071 | 146.8° | 60.0° |
| BR09 | C08 | H082 | H081 | 120.7° | 120.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.5° | 179.7° |
| C05 | C06 | C07 | C08 | 166.2° | 90.3° |
| C05 | C06 | C01 | H011 | 179.7° | 179.7° |
| C06 | C05 | C04 | H041 | 180.0° | 180.0° |
| C05 | C06 | C07 | H072 | 45.1° | 29.8° |
| C05 | C06 | C07 | H071 | 72.6° | 149.7° |
| C06 | C07 | C08 | H072 | 121.1° | 120.0° |
| C06 | C07 | C08 | H071 | 121.2° | 120.0° |
| C07 | C06 | C01 | H011 | 0.5° | 0.0° |
| C07 | C06 | C05 | H051 | 0.5° | 0.3° |
| C06 | C07 | H072 | H071 | 116.3° | 120.0° |
| C06 | C07 | C08 | H082 | 27.7° | 60.0° |
| C06 | C07 | C08 | H081 | 148.2° | 60.0° |
| C08 | C07 | H072 | H071 | 116.4° | 120.0° |
| C07 | C08 | H082 | H081 | 120.8° | 120.0° |
| H011 | C01 | C02 | H021 | 0.1° | 0.2° |
| H041 | C04 | C05 | H051 | 0.0° | 0.0° |
| H072 | C07 | C08 | H082 | 148.9° | 180.0° |
| H072 | C07 | C08 | H081 | 90.6° | 60.0° |
| H071 | C07 | C08 | H082 | 93.4° | 60.0° |
| H071 | C07 | C08 | H081 | 27.1° | 180.0° |
