ES9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.42Å | Aromatic |
| CL01 | C02 | sing | 1.74Å | 1.78Å | |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | N06 | sing | 1.38Å | 1.34Å | Aromatic |
| C05 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| N06 | C07 | sing | 1.36Å | 1.38Å | Aromatic |
| C07 | N08 | doub | 1.30Å | 1.38Å | Aromatic |
| N08 | C09 | sing | 1.36Å | 1.35Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| N06 | HN06 | sing | 0.97Å | 1.00Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C10 | C09 | 120.1° | 119.7° |
| C10 | C02 | CL01 | 119.5° | 119.7° |
| C10 | C02 | C03 | 119.9° | 120.6° |
| C02 | C10 | H10 | 119.9° | 120.2° |
| C10 | C09 | C05 | 119.6° | 119.5° |
| C10 | C09 | N08 | 131.6° | 133.6° |
| C09 | C10 | H10 | 119.9° | 120.1° |
| CL01 | C02 | C03 | 120.6° | 119.7° |
| C02 | C03 | C04 | 120.2° | 120.4° |
| C02 | C03 | H03 | 119.9° | 119.8° |
| C03 | C04 | C05 | 120.1° | 119.8° |
| C04 | C03 | H03 | 120.0° | 119.8° |
| C03 | C04 | H04 | 119.9° | 120.1° |
| C04 | C05 | N06 | 131.7° | 134.0° |
| C04 | C05 | C09 | 120.1° | 120.0° |
| C05 | C04 | H04 | 119.9° | 120.1° |
| N06 | C05 | C09 | 108.3° | 106.0° |
| C05 | N06 | C07 | 107.3° | 107.3° |
| C05 | N06 | HN06 | 126.3° | 126.4° |
| C05 | C09 | N08 | 108.8° | 106.9° |
| N06 | C07 | N08 | 109.2° | 110.1° |
| C07 | N06 | HN06 | 126.4° | 126.3° |
| N06 | C07 | H07 | 125.4° | 124.9° |
| C07 | N08 | C09 | 106.4° | 109.7° |
| N08 | C07 | H07 | 125.4° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C10 | C09 | H10 | 180.0° | 179.8° |
| C10 | C02 | CL01 | C03 | 179.6° | 180.0° |
| C10 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | C10 | C09 | C05 | 0.0° | 0.0° |
| C02 | C10 | C09 | N08 | 179.9° | 179.9° |
| C10 | C02 | C03 | H03 | 179.8° | 180.0° |
| C09 | C10 | C02 | CL01 | 179.5° | 180.0° |
| C09 | C10 | C02 | C03 | 0.2° | 0.0° |
| C10 | C09 | C05 | C04 | 0.2° | 0.0° |
| C10 | C09 | C05 | N06 | 179.9° | 180.0° |
| C10 | C09 | C05 | N08 | 179.9° | 179.9° |
| C10 | C09 | N08 | C07 | 179.9° | 179.9° |
| CL01 | C02 | C03 | C04 | 179.5° | 180.0° |
| CL01 | C02 | C10 | H10 | 0.5° | 0.2° |
| CL01 | C02 | C03 | H03 | 0.5° | 0.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C10 | H10 | 179.8° | 179.8° |
| C02 | C03 | C04 | H04 | 180.0° | 180.0° |
| C03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C03 | C04 | C05 | N06 | 179.9° | 180.0° |
| C03 | C04 | C05 | C09 | 0.2° | 0.0° |
| C04 | C05 | N06 | C09 | 179.9° | 180.0° |
| C04 | C05 | N06 | C07 | 179.8° | 180.0° |
| C04 | C05 | C09 | N08 | 179.9° | 180.0° |
| C05 | C04 | C03 | H03 | 180.0° | 180.0° |
| C04 | C05 | N06 | HN06 | 0.2° | 0.1° |
| C05 | N06 | C07 | HN06 | 180.0° | 179.9° |
| C05 | N06 | C07 | N08 | 0.2° | 0.1° |
| N06 | C05 | C09 | N08 | 0.0° | 0.1° |
| N06 | C05 | C04 | H04 | 0.1° | 0.0° |
| C05 | N06 | C07 | H07 | 179.8° | 180.0° |
| C09 | C05 | N06 | C07 | 0.1° | 0.1° |
| C05 | C09 | N08 | C07 | 0.2° | 0.0° |
| C05 | C09 | C10 | H10 | 180.0° | 179.8° |
| C09 | C05 | C04 | H04 | 179.8° | 180.0° |
| C09 | C05 | N06 | HN06 | 179.9° | 180.0° |
| N06 | C07 | N08 | H07 | 180.0° | 179.9° |
| N06 | C07 | N08 | C09 | 0.2° | 0.0° |
| N08 | C07 | N06 | HN06 | 179.8° | 180.0° |
| N08 | C09 | C10 | H10 | 0.1° | 0.3° |
| C09 | N08 | C07 | H07 | 179.8° | 179.9° |
| H03 | C03 | C04 | H04 | 0.0° | 0.0° |
| HN06 | N06 | C07 | H07 | 0.2° | 0.1° |
