A1ATC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| CL03 | C02 | sing | 1.80Å | 1.78Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| 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 | C02 | CL03 | 108.5° | 109.5° |
| C01 | C02 | C04 | 110.9° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 110.4° | 109.5° |
| CL03 | C02 | C04 | 108.8° | 109.4° |
| CL03 | C02 | H021 | 107.6° | 109.5° |
| C02 | C04 | C05 | 119.9° | 120.0° |
| C02 | C04 | C09 | 120.3° | 120.0° |
| C04 | C02 | H021 | 110.5° | 109.4° |
| C04 | C05 | C06 | 120.1° | 120.0° |
| C05 | C04 | C09 | 119.8° | 120.0° |
| C04 | C05 | H051 | 119.9° | 120.0° |
| C05 | C06 | C07 | 120.4° | 120.0° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| C05 | C06 | H061 | 119.8° | 120.0° |
| C06 | C07 | C08 | 119.4° | 119.9° |
| C07 | C06 | H061 | 119.8° | 120.0° |
| C06 | C07 | H071 | 120.3° | 120.1° |
| C07 | C08 | C09 | 120.5° | 120.1° |
| C08 | C07 | H071 | 120.3° | 120.0° |
| C07 | C08 | H081 | 119.8° | 120.0° |
| C08 | C09 | C04 | 119.9° | 120.0° |
| C09 | C08 | H081 | 119.8° | 120.0° |
| C08 | C09 | H091 | 120.1° | 120.0° |
| C04 | C09 | H091 | 120.0° | 120.0° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | CL03 | C04 | 120.7° | 120.0° |
| C01 | C02 | CL03 | H021 | 119.5° | 120.0° |
| C01 | C02 | C04 | H021 | 122.8° | 120.0° |
| C01 | C02 | C04 | C05 | 55.8° | 65.3° |
| C01 | C02 | C04 | C09 | 124.3° | 115.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| CL03 | C02 | C04 | H021 | 117.9° | 120.0° |
| CL03 | C02 | C04 | C05 | 63.5° | 54.8° |
| CL03 | C02 | C04 | C09 | 116.4° | 125.0° |
| CL03 | C02 | C01 | H013 | 180.0° | 179.9° |
| CL03 | C02 | C01 | H011 | 60.0° | 60.0° |
| CL03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C02 | C04 | C05 | C09 | 180.0° | 179.7° |
| C02 | C04 | C05 | C06 | 179.4° | 180.0° |
| C02 | C04 | C09 | C08 | 179.4° | 179.6° |
| C04 | C02 | C01 | H013 | 60.5° | 59.9° |
| C04 | C02 | C01 | H011 | 179.4° | 180.0° |
| C04 | C02 | C01 | H012 | 59.4° | 60.0° |
| C02 | C04 | C05 | H051 | 0.5° | 0.0° |
| C02 | C04 | C09 | H091 | 0.6° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.4° | 0.0° |
| C05 | C04 | C09 | C08 | 0.7° | 0.6° |
| C05 | C04 | C02 | H021 | 178.6° | 174.7° |
| C04 | C05 | C06 | H061 | 179.6° | 180.0° |
| C05 | C04 | C09 | H091 | 179.3° | 179.8° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.3° | 0.0° |
| C06 | C05 | C04 | C09 | 0.6° | 0.3° |
| C05 | C06 | C07 | H071 | 179.7° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.4° | 0.3° |
| C07 | C06 | C05 | H051 | 179.6° | 180.0° |
| C06 | C07 | C08 | H081 | 179.6° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.7° |
| C07 | C08 | C09 | C04 | 0.6° | 0.6° |
| C08 | C07 | C06 | H061 | 179.7° | 180.0° |
| C07 | C08 | C09 | H091 | 179.4° | 179.7° |
| C08 | C09 | C04 | H091 | 180.0° | 179.6° |
| C09 | C08 | C07 | H071 | 179.6° | 179.7° |
| C09 | C04 | C02 | H021 | 1.5° | 5.0° |
| C09 | C04 | C05 | H051 | 179.4° | 179.7° |
| C04 | C09 | C08 | H081 | 179.4° | 179.7° |
| H013 | C01 | H011 | H012 | 120.0° | 119.9° |
| H013 | C01 | C02 | H021 | 62.3° | 60.0° |
| H011 | C01 | C02 | H021 | 57.7° | 60.1° |
| H012 | C01 | C02 | H021 | 177.7° | 179.9° |
| H051 | C05 | C06 | H061 | 0.4° | 0.0° |
| H061 | C06 | C07 | H071 | 0.3° | 0.0° |
| H071 | C07 | C08 | H081 | 0.4° | 0.0° |
| H081 | C08 | C09 | H091 | 0.6° | 0.1° |
