A1EG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C07 | doub | 1.33Å | 1.34Å | |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C07 | sing | 1.48Å | 1.57Å | |
| C05 | N04 | doub | 1.33Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.56Å | |
| C03 | N04 | sing | 1.32Å | 1.37Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C01 | C02 | 120.0° | 118.5° |
| C01 | C06 | C05 | 120.7° | 119.1° |
| C06 | C01 | H1 | 120.0° | 120.8° |
| C01 | C06 | H4 | 119.6° | 120.5° |
| C01 | C02 | C03 | 119.6° | 119.4° |
| C02 | C01 | H1 | 120.0° | 120.7° |
| C01 | C02 | H2 | 120.2° | 120.3° |
| C06 | C05 | C07 | 118.6° | 119.8° |
| C06 | C05 | N04 | 118.9° | 120.5° |
| C05 | C06 | H4 | 119.7° | 120.5° |
| C09 | C07 | C05 | 130.3° | 120.0° |
| C09 | C07 | C08 | 132.1° | 120.0° |
| C07 | C09 | H8 | 120.0° | 120.0° |
| C07 | C09 | H9 | 120.0° | 120.0° |
| C02 | C03 | N04 | 120.7° | 120.9° |
| C03 | C02 | H2 | 120.2° | 120.3° |
| C02 | C03 | H3 | 119.6° | 119.5° |
| C07 | C05 | N04 | 122.5° | 119.7° |
| C05 | C07 | C08 | 97.6° | 120.0° |
| C05 | N04 | C03 | 120.0° | 121.6° |
| C07 | C08 | H5 | 109.5° | 109.5° |
| C07 | C08 | H6 | 109.5° | 109.5° |
| C07 | C08 | H7 | 109.5° | 109.5° |
| N04 | C03 | H3 | 119.7° | 119.6° |
| H5 | C08 | H6 | 109.5° | 109.5° |
| H5 | C08 | H7 | 109.5° | 109.4° |
| H6 | C08 | H7 | 109.4° | 109.5° |
| H8 | C09 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C01 | C02 | H1 | 180.0° | 179.6° |
| C01 | C06 | C05 | H4 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.1° |
| C01 | C06 | C05 | C07 | 179.8° | 180.0° |
| C01 | C06 | C05 | N04 | 0.1° | 0.0° |
| C06 | C01 | C02 | H2 | 179.9° | 180.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.1° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C01 | C02 | C03 | N04 | 0.1° | 0.0° |
| C01 | C02 | C03 | H3 | 179.9° | 180.0° |
| C02 | C01 | C06 | H4 | 180.0° | 180.0° |
| C06 | C05 | C07 | C09 | 5.4° | 0.0° |
| C06 | C05 | C07 | N04 | 179.9° | 180.0° |
| C06 | C05 | C07 | C08 | 174.4° | 180.0° |
| C06 | C05 | N04 | C03 | 0.1° | 0.0° |
| C05 | C06 | C01 | H1 | 180.0° | 179.7° |
| C09 | C07 | C05 | C08 | 179.8° | 180.0° |
| C09 | C07 | C05 | N04 | 174.7° | 180.0° |
| C09 | C07 | C08 | H5 | 180.0° | 90.0° |
| C09 | C07 | C08 | H6 | 60.0° | 30.0° |
| C09 | C07 | C08 | H7 | 60.0° | 150.0° |
| C07 | C09 | H8 | H9 | 180.0° | 179.9° |
| C02 | C03 | N04 | C05 | 0.1° | 0.0° |
| C02 | C03 | N04 | H3 | 180.0° | 179.9° |
| C03 | C02 | C01 | H1 | 179.9° | 179.7° |
| C07 | C05 | N04 | C03 | 179.9° | 180.0° |
| C07 | C05 | C06 | H4 | 0.2° | 0.0° |
| C05 | C07 | C08 | H5 | 0.2° | 90.0° |
| C05 | C07 | C08 | H6 | 119.8° | 150.0° |
| C05 | C07 | C08 | H7 | 120.2° | 30.0° |
| C05 | C07 | C09 | H8 | 179.7° | 0.1° |
| C05 | C07 | C09 | H9 | 0.3° | 180.0° |
| N04 | C05 | C07 | C08 | 5.5° | 0.0° |
| C05 | N04 | C03 | H3 | 179.9° | 179.9° |
| N04 | C05 | C06 | H4 | 179.9° | 180.0° |
| C07 | C08 | H5 | H6 | 120.0° | 120.0° |
| C07 | C08 | H5 | H7 | 120.0° | 120.0° |
| C07 | C08 | H6 | H7 | 120.0° | 120.0° |
| C08 | C07 | C09 | H8 | 0.0° | 179.9° |
| C08 | C07 | C09 | H9 | 180.0° | 0.0° |
| N04 | C03 | C02 | H2 | 179.9° | 179.9° |
| H1 | C01 | C02 | H2 | 0.1° | 0.4° |
| H1 | C01 | C06 | H4 | 0.0° | 0.4° |
| H2 | C02 | C03 | H3 | 0.2° | 0.1° |
| H5 | C08 | H6 | H7 | 120.0° | 119.9° |
