ERH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C07 | sing | 1.36Å | 1.41Å | |
| C02 | C04 | sing | 1.38Å | 1.35Å | Aromatic |
| C02 | C05 | doub | 1.38Å | 1.51Å | Aromatic |
| C02 | C08 | sing | 1.51Å | 1.51Å | |
| C03 | C04 | doub | 1.38Å | 1.51Å | Aromatic |
| C03 | C06 | sing | 1.38Å | 1.35Å | Aromatic |
| C03 | C09 | sing | 1.51Å | 1.51Å | |
| C05 | C07 | sing | 1.39Å | 1.35Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.51Å | Aromatic |
| O01 | H01 | sing | 0.97Å | 0.95Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C07 | C05 | 120.0° | 120.1° |
| O01 | C07 | C06 | 120.0° | 120.1° |
| C07 | O01 | H01 | 109.5° | 113.9° |
| C04 | C02 | C05 | 120.0° | 120.1° |
| C04 | C02 | C08 | 120.0° | 120.0° |
| C02 | C04 | C03 | 120.0° | 120.1° |
| C02 | C04 | H04 | 120.0° | 120.0° |
| C05 | C02 | C08 | 120.0° | 120.0° |
| C02 | C05 | C07 | 120.0° | 119.9° |
| C02 | C05 | H05 | 120.0° | 120.0° |
| C02 | C08 | H081 | 109.5° | 109.4° |
| C02 | C08 | H082 | 109.5° | 109.5° |
| C02 | C08 | H083 | 109.5° | 109.4° |
| C04 | C03 | C06 | 120.0° | 120.1° |
| C04 | C03 | C09 | 120.0° | 120.0° |
| C03 | C04 | H04 | 120.0° | 120.0° |
| C06 | C03 | C09 | 120.0° | 120.0° |
| C03 | C06 | C07 | 120.0° | 120.0° |
| C03 | C06 | H06 | 120.0° | 120.1° |
| C03 | C09 | H091 | 109.5° | 109.5° |
| C03 | C09 | H092 | 109.5° | 109.5° |
| C03 | C09 | H093 | 109.5° | 109.4° |
| C05 | C07 | C06 | 120.0° | 119.8° |
| C07 | C05 | H05 | 120.0° | 120.0° |
| C07 | C06 | H06 | 120.0° | 120.0° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.4° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.4° |
| H092 | C09 | H093 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C07 | C05 | C02 | 180.0° | 180.0° |
| O01 | C07 | C06 | C03 | 180.0° | 180.0° |
| O01 | C07 | C05 | C06 | 180.0° | 179.9° |
| O01 | C07 | C05 | H05 | 0.0° | 0.0° |
| O01 | C07 | C06 | H06 | 0.0° | 0.1° |
| C04 | C02 | C05 | C08 | 180.0° | 179.7° |
| C02 | C04 | C03 | H04 | 180.0° | 179.9° |
| C02 | C04 | C03 | C06 | 0.0° | 0.0° |
| C02 | C04 | C03 | C09 | 180.0° | 180.0° |
| C04 | C02 | C05 | C07 | 0.0° | 0.1° |
| C04 | C02 | C05 | H05 | 180.0° | 180.0° |
| C04 | C02 | C08 | H081 | 90.0° | 90.0° |
| C04 | C02 | C08 | H082 | 150.0° | 150.0° |
| C04 | C02 | C08 | H083 | 30.0° | 30.0° |
| C05 | C02 | C04 | C03 | 0.0° | 0.0° |
| C02 | C05 | C07 | H05 | 180.0° | 180.0° |
| C02 | C05 | C07 | C06 | 0.0° | 0.1° |
| C05 | C02 | C04 | H04 | 180.0° | 180.0° |
| C05 | C02 | C08 | H081 | 90.0° | 90.3° |
| C05 | C02 | C08 | H082 | 30.0° | 29.7° |
| C05 | C02 | C08 | H083 | 150.0° | 149.7° |
| C08 | C02 | C04 | C03 | 180.0° | 179.7° |
| C08 | C02 | C05 | C07 | 180.0° | 179.8° |
| C08 | C02 | C04 | H04 | 0.1° | 0.3° |
| C08 | C02 | C05 | H05 | 0.0° | 0.3° |
| C02 | C08 | H081 | H082 | 120.0° | 120.0° |
| C02 | C08 | H081 | H083 | 120.0° | 119.9° |
| C02 | C08 | H082 | H083 | 120.0° | 120.0° |
| C04 | C03 | C06 | C09 | 180.0° | 180.0° |
| C04 | C03 | C06 | C07 | 0.0° | 0.1° |
| C04 | C03 | C06 | H06 | 180.0° | 180.0° |
| C04 | C03 | C09 | H091 | 90.0° | 89.9° |
| C04 | C03 | C09 | H092 | 150.0° | 150.0° |
| C04 | C03 | C09 | H093 | 30.0° | 30.0° |
| C03 | C06 | C07 | C05 | 0.0° | 0.1° |
| C03 | C06 | C07 | H06 | 180.0° | 179.9° |
| C06 | C03 | C04 | H04 | 180.0° | 180.0° |
| C06 | C03 | C09 | H091 | 90.0° | 90.0° |
| C06 | C03 | C09 | H092 | 30.0° | 30.0° |
| C06 | C03 | C09 | H093 | 150.0° | 150.0° |
| C09 | C03 | C06 | C07 | 180.0° | 180.0° |
| C09 | C03 | C04 | H04 | 0.0° | 0.0° |
| C09 | C03 | C06 | H06 | 0.0° | 0.0° |
| C03 | C09 | H091 | H092 | 120.0° | 120.0° |
| C03 | C09 | H091 | H093 | 120.0° | 119.9° |
| C03 | C09 | H092 | H093 | 120.0° | 120.0° |
| C05 | C07 | O01 | H01 | 180.0° | 90.0° |
| C05 | C07 | C06 | H06 | 180.0° | 180.0° |
| C06 | C07 | O01 | H01 | 0.0° | 90.1° |
| C06 | C07 | C05 | H05 | 180.0° | 180.0° |
| H081 | C08 | H082 | H083 | 120.0° | 120.0° |
| H091 | C09 | H092 | H093 | 120.0° | 120.0° |
