A1EYX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | N07 | sing | 1.35Å | 1.44Å | |
| C08 | O10 | doub | 1.21Å | 1.19Å | |
| N07 | C05 | sing | 1.39Å | 1.44Å | |
| C05 | N04 | doub | 1.30Å | 1.42Å | Aromatic |
| C05 | S06 | sing | 1.71Å | 1.57Å | Aromatic |
| N04 | C03 | sing | 1.32Å | 1.55Å | Aromatic |
| S06 | C02 | sing | 1.76Å | 1.53Å | Aromatic |
| C03 | C02 | doub | 1.34Å | 1.44Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.78Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| N07 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | N07 | 119.6° | 120.0° |
| C09 | C08 | O10 | 120.6° | 120.0° |
| C08 | C09 | H2 | 109.5° | 109.6° |
| C08 | C09 | H3 | 109.4° | 109.5° |
| C08 | C09 | H4 | 109.5° | 109.5° |
| N07 | C08 | O10 | 119.8° | 120.0° |
| C08 | N07 | C05 | 121.9° | 120.0° |
| C08 | N07 | H5 | 119.1° | 120.0° |
| N07 | C05 | N04 | 121.2° | 124.9° |
| N07 | C05 | S06 | 128.8° | 124.9° |
| C05 | N07 | H5 | 119.0° | 120.1° |
| N04 | C05 | S06 | 110.0° | 110.2° |
| C05 | N04 | C03 | 108.1° | 116.9° |
| C05 | S06 | C02 | 103.7° | 90.4° |
| N04 | C03 | C02 | 107.9° | 114.6° |
| N04 | C03 | H1 | 126.0° | 122.7° |
| S06 | C02 | C03 | 110.3° | 108.0° |
| S06 | C02 | CL01 | 127.4° | 126.0° |
| C03 | C02 | CL01 | 122.2° | 126.0° |
| C02 | C03 | H1 | 126.1° | 122.8° |
| H2 | C09 | H3 | 109.5° | 109.4° |
| H2 | C09 | H4 | 109.4° | 109.5° |
| H3 | C09 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | N07 | O10 | 178.8° | 179.9° |
| C09 | C08 | N07 | C05 | 178.4° | 180.0° |
| C08 | C09 | H2 | H3 | 120.0° | 120.0° |
| C08 | C09 | H2 | H4 | 120.0° | 120.1° |
| C08 | C09 | H3 | H4 | 120.0° | 120.0° |
| C09 | C08 | N07 | H5 | 1.6° | 0.1° |
| C08 | N07 | C05 | H5 | 180.0° | 179.9° |
| C08 | N07 | C05 | N04 | 168.9° | 180.0° |
| C08 | N07 | C05 | S06 | 14.3° | 0.4° |
| N07 | C08 | C09 | H2 | 178.8° | 90.0° |
| N07 | C08 | C09 | H3 | 61.2° | 150.0° |
| N07 | C08 | C09 | H4 | 58.8° | 30.1° |
| O10 | C08 | N07 | C05 | 2.8° | 0.1° |
| O10 | C08 | C09 | H2 | 0.0° | 89.9° |
| O10 | C08 | C09 | H3 | 120.0° | 30.0° |
| O10 | C08 | C09 | H4 | 120.0° | 150.0° |
| O10 | C08 | N07 | H5 | 177.2° | 180.0° |
| N07 | C05 | N04 | S06 | 177.3° | 179.6° |
| N07 | C05 | N04 | C03 | 177.9° | 180.0° |
| N07 | C05 | S06 | C02 | 177.8° | 180.0° |
| N04 | C05 | S06 | C02 | 0.7° | 0.4° |
| C05 | N04 | C03 | C02 | 0.2° | 0.1° |
| C05 | N04 | C03 | H1 | 179.8° | 180.0° |
| N04 | C05 | N07 | H5 | 11.1° | 0.1° |
| S06 | C05 | N04 | C03 | 0.6° | 0.3° |
| C05 | S06 | C02 | C03 | 0.6° | 0.3° |
| C05 | S06 | C02 | CL01 | 179.8° | 179.9° |
| S06 | C05 | N07 | H5 | 165.6° | 179.7° |
| N04 | C03 | C02 | S06 | 0.3° | 0.2° |
| N04 | C03 | C02 | H1 | 180.0° | 179.9° |
| N04 | C03 | C02 | CL01 | 179.9° | 180.0° |
| S06 | C02 | C03 | CL01 | 179.6° | 179.8° |
| S06 | C02 | C03 | H1 | 179.7° | 179.7° |
| CL01 | C02 | C03 | H1 | 0.1° | 0.0° |
| H2 | C09 | H3 | H4 | 120.0° | 120.0° |
