A1IIC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C03 | sing | 1.36Å | 1.40Å | |
| C02 | C03 | doub | 1.37Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.43Å | Aromatic |
| C01 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | N10 | doub | 1.34Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.36Å | Aromatic |
| N10 | C09 | sing | 1.31Å | 1.33Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.43Å | Aromatic |
| C05 | N07 | doub | 1.34Å | 1.37Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.40Å | Aromatic |
| N07 | C08 | sing | 1.31Å | 1.33Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| O11 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C03 | C02 | 120.1° | 120.2° |
| O11 | C03 | C04 | 119.4° | 120.2° |
| C03 | O11 | H6 | 109.5° | 113.9° |
| C03 | C02 | C01 | 119.6° | 120.9° |
| C02 | C03 | C04 | 120.4° | 119.6° |
| C03 | C02 | H2 | 120.2° | 119.6° |
| C02 | C01 | C06 | 120.2° | 121.1° |
| C02 | C01 | H1 | 119.9° | 119.5° |
| C01 | C02 | H2 | 120.2° | 119.5° |
| C03 | C04 | N10 | 120.7° | 121.1° |
| C03 | C04 | C05 | 119.8° | 119.3° |
| C01 | C06 | C05 | 120.1° | 119.8° |
| C06 | C01 | H1 | 120.0° | 119.5° |
| C01 | C06 | H3 | 119.9° | 120.1° |
| N10 | C04 | C05 | 119.5° | 119.6° |
| C04 | N10 | C09 | 119.7° | 119.7° |
| C04 | C05 | C06 | 120.0° | 119.4° |
| C04 | C05 | N07 | 121.0° | 119.5° |
| N10 | C09 | C08 | 120.4° | 120.7° |
| N10 | C09 | H5 | 119.8° | 119.7° |
| C06 | C05 | N07 | 119.0° | 121.1° |
| C05 | C06 | H3 | 120.0° | 120.1° |
| C05 | N07 | C08 | 119.4° | 119.7° |
| C09 | C08 | N07 | 120.0° | 120.7° |
| C09 | C08 | H4 | 120.0° | 119.7° |
| C08 | C09 | H5 | 119.8° | 119.6° |
| N07 | C08 | H4 | 120.0° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C03 | C02 | C04 | 179.6° | 180.0° |
| O11 | C03 | C02 | C01 | 179.9° | 180.0° |
| O11 | C03 | C04 | N10 | 0.1° | 0.0° |
| O11 | C03 | C04 | C05 | 180.0° | 180.0° |
| O11 | C03 | C02 | H2 | 0.0° | 0.0° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.0° |
| C02 | C03 | C04 | N10 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.4° | 0.1° |
| C03 | C02 | C01 | H1 | 180.0° | 179.7° |
| C02 | C03 | O11 | H6 | 180.0° | 90.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 0.2° | 0.0° |
| C02 | C01 | C06 | H3 | 179.8° | 179.8° |
| C03 | C04 | N10 | C05 | 179.8° | 179.9° |
| C03 | C04 | N10 | C09 | 179.8° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | N07 | 179.6° | 179.9° |
| C04 | C03 | C02 | H2 | 179.6° | 179.9° |
| C04 | C03 | O11 | H6 | 0.4° | 90.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | H3 | 180.0° | 179.7° |
| C01 | C06 | C05 | N07 | 179.9° | 180.0° |
| C06 | C01 | C02 | H2 | 180.0° | 180.0° |
| N10 | C04 | C05 | C06 | 180.0° | 179.9° |
| N10 | C04 | C05 | N07 | 0.2° | 0.0° |
| C04 | N10 | C09 | C08 | 0.1° | 0.0° |
| C04 | N10 | C09 | H5 | 179.9° | 179.9° |
| C05 | C04 | N10 | C09 | 0.1° | 0.0° |
| C04 | C05 | C06 | N07 | 179.8° | 179.9° |
| C04 | C05 | N07 | C08 | 0.2° | 0.0° |
| C04 | C05 | C06 | H3 | 179.8° | 179.7° |
| N10 | C09 | C08 | H5 | 180.0° | 179.9° |
| N10 | C09 | C08 | N07 | 0.1° | 0.0° |
| N10 | C09 | C08 | H4 | 179.9° | 180.0° |
| C06 | C05 | N07 | C08 | 180.0° | 179.9° |
| C05 | C06 | C01 | H1 | 179.8° | 179.7° |
| C05 | N07 | C08 | C09 | 0.0° | 0.0° |
| N07 | C05 | C06 | H3 | 0.1° | 0.3° |
| C05 | N07 | C08 | H4 | 179.9° | 180.0° |
| C09 | C08 | N07 | H4 | 180.0° | 180.0° |
| N07 | C08 | C09 | H5 | 179.9° | 179.9° |
| H1 | C01 | C02 | H2 | 0.1° | 0.2° |
| H1 | C01 | C06 | H3 | 0.2° | 0.0° |
| H4 | C08 | C09 | H5 | 0.1° | 0.1° |
