A1I14
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
| CL01 | C02 | sing | 1.74Å | 1.80Å | |
| C02 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | N06 | sing | 1.40Å | 1.47Å | |
| C05 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| N06 | C07 | sing | 1.35Å | 1.42Å | |
| C10 | O09 | sing | 1.36Å | 1.45Å | |
| C07 | O09 | sing | 1.34Å | 1.40Å | |
| C07 | O08 | doub | 1.22Å | 1.17Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| N06 | H3 | sing | 0.97Å | 1.00Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 119.5° | 120.2° |
| C03 | C04 | C05 | 123.4° | 119.8° |
| C04 | C03 | H1 | 120.3° | 119.9° |
| C03 | C04 | H2 | 118.3° | 120.0° |
| C03 | C02 | CL01 | 122.3° | 119.9° |
| C03 | C02 | C11 | 116.7° | 120.3° |
| C02 | C03 | H1 | 120.3° | 119.9° |
| C04 | C05 | N06 | 135.8° | 133.4° |
| C04 | C05 | C10 | 116.1° | 120.1° |
| C05 | C04 | H2 | 118.3° | 120.1° |
| CL01 | C02 | C11 | 121.0° | 119.9° |
| C02 | C11 | C10 | 124.6° | 119.9° |
| C02 | C11 | H4 | 117.7° | 120.0° |
| N06 | C05 | C10 | 108.0° | 106.6° |
| C05 | N06 | C07 | 108.2° | 107.5° |
| C05 | N06 | H3 | 125.9° | 126.3° |
| C05 | C10 | C11 | 119.7° | 119.7° |
| C05 | C10 | O09 | 107.7° | 107.3° |
| C11 | C10 | O09 | 132.6° | 133.0° |
| C10 | C11 | H4 | 117.7° | 120.1° |
| N06 | C07 | O09 | 106.3° | 109.5° |
| N06 | C07 | O08 | 128.1° | 125.3° |
| C07 | N06 | H3 | 125.9° | 126.3° |
| C10 | O09 | C07 | 109.7° | 109.2° |
| O09 | C07 | O08 | 125.6° | 125.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | H1 | 180.0° | 179.6° |
| C03 | C04 | C05 | H2 | 180.0° | 179.5° |
| C04 | C03 | C02 | CL01 | 179.8° | 179.6° |
| C04 | C03 | C02 | C11 | 0.1° | 0.3° |
| C03 | C04 | C05 | N06 | 178.3° | 179.9° |
| C03 | C04 | C05 | C10 | 3.1° | 0.1° |
| C02 | C03 | C04 | C05 | 2.0° | 0.4° |
| C03 | C02 | CL01 | C11 | 179.6° | 180.0° |
| C03 | C02 | C11 | C10 | 1.2° | 0.0° |
| C02 | C03 | C04 | H2 | 178.0° | 180.0° |
| C03 | C02 | C11 | H4 | 178.8° | 180.0° |
| C04 | C05 | N06 | C10 | 175.5° | 180.0° |
| C04 | C05 | C10 | C11 | 2.0° | 0.2° |
| C04 | C05 | N06 | C07 | 178.1° | 180.0° |
| C04 | C05 | C10 | O09 | 178.8° | 180.0° |
| C05 | C04 | C03 | H1 | 178.0° | 180.0° |
| C04 | C05 | N06 | H3 | 1.9° | 0.0° |
| CL01 | C02 | C11 | C10 | 179.2° | 180.0° |
| CL01 | C02 | C03 | H1 | 0.3° | 0.0° |
| CL01 | C02 | C11 | H4 | 0.8° | 0.0° |
| C02 | C11 | C10 | C05 | 0.0° | 0.3° |
| C02 | C11 | C10 | H4 | 180.0° | 180.0° |
| C02 | C11 | C10 | O09 | 179.0° | 180.0° |
| C11 | C02 | C03 | H1 | 179.9° | 180.0° |
| N06 | C05 | C10 | C11 | 178.5° | 179.7° |
| C05 | N06 | C07 | H3 | 180.0° | 180.0° |
| N06 | C05 | C10 | O09 | 2.3° | 0.0° |
| C05 | N06 | C07 | O09 | 1.8° | 0.0° |
| C05 | N06 | C07 | O08 | 177.8° | 179.9° |
| N06 | C05 | C04 | H2 | 1.7° | 0.4° |
| C05 | C10 | C11 | O09 | 179.0° | 179.7° |
| C10 | C05 | N06 | C07 | 2.6° | 0.0° |
| C05 | C10 | O09 | C07 | 1.2° | 0.0° |
| C10 | C05 | C04 | H2 | 177.0° | 179.7° |
| C10 | C05 | N06 | H3 | 177.4° | 179.9° |
| C05 | C10 | C11 | H4 | 180.0° | 179.7° |
| C11 | C10 | O09 | C07 | 179.7° | 179.7° |
| N06 | C07 | O09 | C10 | 0.5° | 0.0° |
| N06 | C07 | O09 | O08 | 179.7° | 179.9° |
| C10 | O09 | C07 | O08 | 179.2° | 179.9° |
| O09 | C10 | C11 | H4 | 1.0° | 0.0° |
| O09 | C07 | N06 | H3 | 178.2° | 179.9° |
| O08 | C07 | N06 | H3 | 2.2° | 0.0° |
| H1 | C03 | C04 | H2 | 2.0° | 0.4° |
