A1FAW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | C08 | sing | 1.51Å | 1.54Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C07 | C09 | sing | 1.53Å | 1.51Å | |
| C09 | O10 | sing | 1.43Å | 1.41Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | 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) |
| C02 | C01 | C06 | 121.3° | 120.0° |
| C01 | C02 | C03 | 119.1° | 120.0° |
| C02 | C01 | H011 | 119.4° | 120.0° |
| C01 | C02 | H021 | 120.5° | 120.0° |
| C01 | C06 | C05 | 119.9° | 120.0° |
| C01 | C06 | C07 | 123.7° | 120.0° |
| C06 | C01 | H011 | 119.4° | 120.0° |
| C02 | C03 | C04 | 118.5° | 120.0° |
| C03 | C02 | H021 | 120.4° | 120.0° |
| C02 | C03 | H031 | 120.7° | 120.0° |
| C03 | C04 | C05 | 122.9° | 120.0° |
| C04 | C03 | H031 | 120.8° | 120.1° |
| C03 | C04 | H041 | 118.5° | 119.9° |
| C04 | C05 | C06 | 118.2° | 120.0° |
| C04 | C05 | C08 | 122.9° | 120.0° |
| C05 | C04 | H041 | 118.5° | 120.1° |
| C06 | C05 | C08 | 118.9° | 120.0° |
| C05 | C06 | C07 | 116.3° | 120.1° |
| C05 | C08 | H081 | 109.5° | 109.5° |
| C05 | C08 | H082 | 109.5° | 109.4° |
| C05 | C08 | H083 | 109.5° | 109.5° |
| C06 | C07 | C09 | 110.3° | 109.5° |
| C06 | C07 | H071 | 109.2° | 109.5° |
| C06 | C07 | H072 | 109.3° | 109.4° |
| C07 | C09 | O10 | 112.0° | 109.4° |
| C09 | C07 | H071 | 109.3° | 109.5° |
| C09 | C07 | H072 | 109.3° | 109.5° |
| C07 | C09 | H091 | 108.8° | 109.5° |
| C07 | C09 | H092 | 108.8° | 109.5° |
| O10 | C09 | H091 | 108.8° | 109.5° |
| O10 | C09 | H092 | 108.9° | 109.4° |
| C09 | O10 | H101 | 109.5° | 114.0° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.4° | 109.4° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C01 | C02 | C03 | H021 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.9° | 0.1° |
| C02 | C01 | C06 | C05 | 1.1° | 0.0° |
| C02 | C01 | C06 | C07 | 179.0° | 180.0° |
| C01 | C02 | C03 | H031 | 179.1° | 179.9° |
| C06 | C01 | C02 | C03 | 0.9° | 0.1° |
| C01 | C06 | C05 | C04 | 1.3° | 0.1° |
| C01 | C06 | C05 | C07 | 178.0° | 179.9° |
| C01 | C06 | C05 | C08 | 177.8° | 180.0° |
| C01 | C06 | C07 | C09 | 61.9° | 95.0° |
| C06 | C01 | C02 | H021 | 179.1° | 179.9° |
| C01 | C06 | C07 | H071 | 58.2° | 25.0° |
| C01 | C06 | C07 | H072 | 177.9° | 145.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 1.1° | 0.0° |
| C03 | C02 | C01 | H011 | 179.1° | 179.8° |
| C02 | C03 | C04 | H041 | 178.9° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.3° | 0.1° |
| C03 | C04 | C05 | C08 | 177.7° | 180.0° |
| C04 | C03 | C02 | H021 | 179.1° | 180.0° |
| C04 | C05 | C06 | C08 | 179.0° | 179.8° |
| C04 | C05 | C06 | C07 | 179.3° | 179.9° |
| C05 | C04 | C03 | H031 | 178.9° | 180.0° |
| C04 | C05 | C08 | H081 | 90.6° | 90.0° |
| C04 | C05 | C08 | H082 | 149.5° | 150.0° |
| C04 | C05 | C08 | H083 | 29.5° | 30.0° |
| C05 | C06 | C07 | C09 | 120.1° | 84.9° |
| C05 | C06 | C01 | H011 | 178.9° | 179.6° |
| C06 | C05 | C04 | H041 | 178.7° | 179.9° |
| C05 | C06 | C07 | H071 | 119.7° | 155.1° |
| C05 | C06 | C07 | H072 | 0.0° | 35.1° |
| C06 | C05 | C08 | H081 | 90.4° | 90.1° |
| C06 | C05 | C08 | H082 | 29.5° | 29.8° |
| C06 | C05 | C08 | H083 | 149.5° | 149.8° |
| C08 | C05 | C06 | C07 | 0.2° | 0.1° |
| C08 | C05 | C04 | H041 | 2.3° | 0.1° |
| C05 | C08 | H081 | H082 | 120.0° | 119.9° |
| C05 | C08 | H081 | H083 | 120.0° | 120.0° |
| C05 | C08 | H082 | H083 | 120.0° | 120.0° |
| C06 | C07 | C09 | H071 | 120.1° | 120.0° |
| C06 | C07 | C09 | H072 | 120.1° | 119.9° |
| C06 | C07 | C09 | O10 | 169.7° | 180.0° |
| C07 | C06 | C01 | H011 | 1.0° | 0.3° |
| C06 | C07 | H071 | H072 | 119.6° | 120.0° |
| C06 | C07 | C09 | H091 | 69.9° | 60.0° |
| C06 | C07 | C09 | H092 | 49.4° | 60.1° |
| C07 | C09 | O10 | H091 | 120.4° | 120.0° |
| C07 | C09 | O10 | H092 | 120.4° | 120.0° |
| C09 | C07 | H071 | H072 | 119.6° | 120.0° |
| C07 | C09 | H091 | H092 | 118.8° | 120.1° |
| C07 | C09 | O10 | H101 | 180.0° | 180.0° |
| O10 | C09 | C07 | H071 | 49.6° | 60.0° |
| O10 | C09 | C07 | H072 | 70.1° | 60.0° |
| O10 | C09 | H091 | H092 | 118.9° | 120.0° |
| H011 | C01 | C02 | H021 | 0.9° | 0.4° |
| H021 | C02 | C03 | H031 | 0.9° | 0.0° |
| H031 | C03 | C04 | H041 | 1.1° | 0.0° |
| H071 | C07 | C09 | H091 | 170.0° | 180.0° |
| H071 | C07 | C09 | H092 | 70.8° | 60.0° |
| H072 | C07 | C09 | H091 | 50.2° | 60.0° |
| H072 | C07 | C09 | H092 | 169.5° | 180.0° |
| H081 | C08 | H082 | H083 | 120.0° | 120.0° |
| H091 | C09 | O10 | H101 | 59.6° | 60.0° |
| H092 | C09 | O10 | H101 | 59.7° | 60.0° |
