ES5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C05 | doub | 1.42Å | 1.42Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| N01 | C02 | sing | 1.40Å | 1.46Å | |
| C02 | C03 | sing | 1.40Å | 1.42Å | Aromatic |
| C02 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.42Å | Aromatic |
| C05 | N06 | sing | 1.34Å | 1.38Å | Aromatic |
| N06 | C07 | doub | 1.31Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | doub | 1.37Å | 1.38Å | Aromatic |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N01 | HN0A | sing | 0.97Å | 1.00Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C10 | C09 | 120.0° | 119.0° |
| C05 | C10 | C11 | 120.1° | 119.7° |
| C10 | C05 | C04 | 120.1° | 119.3° |
| C10 | C05 | N06 | 120.2° | 119.8° |
| C09 | C10 | C11 | 119.9° | 121.3° |
| C10 | C09 | C08 | 119.6° | 118.2° |
| C10 | C09 | H09 | 120.2° | 120.9° |
| C10 | C11 | C02 | 119.6° | 119.4° |
| C10 | C11 | H11 | 120.2° | 120.3° |
| N01 | C02 | C03 | 119.7° | 119.7° |
| N01 | C02 | C11 | 120.0° | 119.7° |
| C02 | N01 | HN01 | 109.5° | 120.0° |
| C02 | N01 | HN0A | 109.5° | 119.9° |
| C03 | C02 | C11 | 120.3° | 120.6° |
| C02 | C03 | C04 | 120.0° | 121.0° |
| C02 | C03 | H03 | 120.0° | 119.5° |
| C02 | C11 | H11 | 120.2° | 120.3° |
| C03 | C04 | C05 | 119.9° | 120.0° |
| C04 | C03 | H03 | 120.0° | 119.5° |
| C03 | C04 | H04 | 120.1° | 120.0° |
| C04 | C05 | N06 | 119.7° | 120.9° |
| C05 | C04 | H04 | 120.0° | 120.0° |
| C05 | N06 | C07 | 119.8° | 121.3° |
| N06 | C07 | C08 | 120.1° | 121.8° |
| N06 | C07 | H07 | 120.0° | 119.1° |
| C07 | C08 | C09 | 120.3° | 119.9° |
| C08 | C07 | H07 | 119.9° | 119.1° |
| C07 | C08 | H08 | 119.8° | 120.0° |
| C09 | C08 | H08 | 119.9° | 120.0° |
| C08 | C09 | H09 | 120.2° | 120.9° |
| HN01 | N01 | HN0A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C10 | C09 | C11 | 179.7° | 179.8° |
| C05 | C10 | C11 | C02 | 0.3° | 0.0° |
| C10 | C05 | C04 | C03 | 0.3° | 0.5° |
| C10 | C05 | C04 | N06 | 179.9° | 179.9° |
| C10 | C05 | N06 | C07 | 0.1° | 0.0° |
| C05 | C10 | C09 | C08 | 0.1° | 0.1° |
| C10 | C05 | C04 | H04 | 179.7° | 180.0° |
| C05 | C10 | C09 | H09 | 179.9° | 180.0° |
| C05 | C10 | C11 | H11 | 179.7° | 179.9° |
| C09 | C10 | C11 | C02 | 180.0° | 179.8° |
| C09 | C10 | C05 | C04 | 180.0° | 180.0° |
| C09 | C10 | C05 | N06 | 0.0° | 0.1° |
| C10 | C09 | C08 | C07 | 0.4° | 0.0° |
| C10 | C09 | C08 | H09 | 180.0° | 180.0° |
| C10 | C09 | C08 | H08 | 179.6° | 180.0° |
| C09 | C10 | C11 | H11 | 0.0° | 0.3° |
| C10 | C11 | C02 | N01 | 179.5° | 180.0° |
| C10 | C11 | C02 | C03 | 0.3° | 0.0° |
| C10 | C11 | C02 | H11 | 180.0° | 179.9° |
| C11 | C10 | C05 | C04 | 0.4° | 0.2° |
| C11 | C10 | C05 | N06 | 179.7° | 179.7° |
| C11 | C10 | C09 | C08 | 179.6° | 179.7° |
| C11 | C10 | C09 | H09 | 0.4° | 0.3° |
| N01 | C02 | C03 | C11 | 179.7° | 180.0° |
| N01 | C02 | C03 | C04 | 179.5° | 179.7° |
| C02 | N01 | HN01 | HN0A | 120.0° | 180.0° |
| N01 | C02 | C03 | H03 | 0.5° | 0.0° |
| N01 | C02 | C11 | H11 | 0.5° | 0.1° |
| C02 | C03 | C04 | H03 | 180.0° | 179.8° |
| C02 | C03 | C04 | C05 | 0.3° | 0.5° |
| C03 | C02 | N01 | HN01 | 180.0° | 0.1° |
| C03 | C02 | N01 | HN0A | 60.0° | 180.0° |
| C02 | C03 | C04 | H04 | 179.7° | 180.0° |
| C03 | C02 | C11 | H11 | 179.7° | 179.9° |
| C11 | C02 | C03 | C04 | 0.2° | 0.2° |
| C11 | C02 | N01 | HN01 | 0.3° | 179.9° |
| C11 | C02 | N01 | HN0A | 120.3° | 0.0° |
| C11 | C02 | C03 | H03 | 179.7° | 180.0° |
| C03 | C04 | C05 | H04 | 180.0° | 179.5° |
| C03 | C04 | C05 | N06 | 179.7° | 179.5° |
| C04 | C05 | N06 | C07 | 179.8° | 179.9° |
| C05 | C04 | C03 | H03 | 179.7° | 179.7° |
| C05 | N06 | C07 | C08 | 0.4° | 0.1° |
| N06 | C05 | C04 | H04 | 0.3° | 0.0° |
| C05 | N06 | C07 | H07 | 179.6° | 180.0° |
| N06 | C07 | C08 | H07 | 180.0° | 179.9° |
| N06 | C07 | C08 | C09 | 0.5° | 0.1° |
| N06 | C07 | C08 | H08 | 179.4° | 180.0° |
| C07 | C08 | C09 | H08 | 180.0° | 180.0° |
| C07 | C08 | C09 | H09 | 179.6° | 180.0° |
| C09 | C08 | C07 | H07 | 179.5° | 180.0° |
| H03 | C03 | C04 | H04 | 0.3° | 0.2° |
| H07 | C07 | C08 | H08 | 0.5° | 0.0° |
| H08 | C08 | C09 | H09 | 0.4° | 0.0° |
