ES4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C02 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C06 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | N09 | sing | 1.36Å | 1.35Å | Aromatic |
| CL01 | C02 | sing | 1.74Å | 1.78Å | |
| C02 | N03 | sing | 1.32Å | 1.35Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.38Å | Aromatic |
| C04 | N05 | sing | 1.32Å | 1.38Å | Aromatic |
| N05 | C06 | doub | 1.33Å | 1.36Å | Aromatic |
| C06 | N07 | sing | 1.37Å | 1.35Å | Aromatic |
| N07 | C08 | sing | 1.36Å | 1.37Å | Aromatic |
| C08 | N09 | doub | 1.30Å | 1.37Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| N07 | HN07 | sing | 0.97Å | 1.00Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C10 | C06 | 119.9° | 118.2° |
| C02 | C10 | N09 | 132.1° | 134.8° |
| C10 | C02 | CL01 | 120.1° | 120.7° |
| C10 | C02 | N03 | 120.4° | 118.6° |
| C06 | C10 | N09 | 108.0° | 107.0° |
| C10 | C06 | N05 | 119.7° | 119.0° |
| C10 | C06 | N07 | 108.2° | 106.0° |
| C10 | N09 | C08 | 108.1° | 109.5° |
| CL01 | C02 | N03 | 119.5° | 120.7° |
| C02 | N03 | C04 | 119.7° | 121.3° |
| N03 | C04 | N05 | 119.9° | 122.4° |
| N03 | C04 | H04 | 120.1° | 118.8° |
| C04 | N05 | C06 | 120.5° | 120.5° |
| N05 | C04 | H04 | 120.1° | 118.8° |
| N05 | C06 | N07 | 132.1° | 135.0° |
| C06 | N07 | C08 | 107.9° | 107.4° |
| C06 | N07 | HN07 | 126.1° | 126.3° |
| N07 | C08 | N09 | 107.8° | 110.1° |
| C08 | N07 | HN07 | 126.1° | 126.3° |
| N07 | C08 | H08 | 126.1° | 124.9° |
| N09 | C08 | H08 | 126.1° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C10 | C06 | N09 | 180.0° | 179.8° |
| C10 | C02 | CL01 | N03 | 179.6° | 179.9° |
| C10 | C02 | N03 | C04 | 0.3° | 0.0° |
| C02 | C10 | C06 | N05 | 0.3° | 0.0° |
| C02 | C10 | C06 | N07 | 179.9° | 180.0° |
| C02 | C10 | N09 | C08 | 179.8° | 179.9° |
| C06 | C10 | C02 | CL01 | 179.3° | 180.0° |
| C06 | C10 | C02 | N03 | 0.3° | 0.0° |
| C10 | C06 | N05 | C04 | 0.4° | 0.0° |
| C10 | C06 | N05 | N07 | 179.8° | 179.9° |
| C10 | C06 | N07 | C08 | 0.0° | 0.0° |
| C06 | C10 | N09 | C08 | 0.2° | 0.4° |
| C10 | C06 | N07 | HN07 | 180.0° | 180.0° |
| N09 | C10 | C02 | CL01 | 0.7° | 0.3° |
| N09 | C10 | C02 | N03 | 179.7° | 179.7° |
| N09 | C10 | C06 | N05 | 179.7° | 179.7° |
| N09 | C10 | C06 | N07 | 0.2° | 0.2° |
| C10 | N09 | C08 | N07 | 0.2° | 0.4° |
| C10 | N09 | C08 | H08 | 179.8° | 179.8° |
| CL01 | C02 | N03 | C04 | 179.4° | 179.9° |
| C02 | N03 | C04 | N05 | 0.3° | 0.1° |
| C02 | N03 | C04 | H04 | 179.7° | 180.0° |
| N03 | C04 | N05 | H04 | 180.0° | 180.0° |
| N03 | C04 | N05 | C06 | 0.4° | 0.1° |
| C04 | N05 | C06 | N07 | 179.9° | 179.9° |
| N05 | C06 | N07 | C08 | 179.8° | 179.9° |
| C06 | N05 | C04 | H04 | 179.6° | 180.0° |
| N05 | C06 | N07 | HN07 | 0.2° | 0.1° |
| C06 | N07 | C08 | HN07 | 180.0° | 180.0° |
| C06 | N07 | C08 | N09 | 0.1° | 0.2° |
| C06 | N07 | C08 | H08 | 179.9° | 179.9° |
| N07 | C08 | N09 | H08 | 180.0° | 179.8° |
| N09 | C08 | N07 | HN07 | 179.9° | 179.8° |
| HN07 | N07 | C08 | H08 | 0.1° | 0.1° |
