8QG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | sing | 1.38Å | 1.44Å | Aromatic |
| C04 | C05 | doub | 1.35Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.34Å | 1.33Å | Aromatic |
| C11 | N10 | doub | 1.31Å | 1.35Å | Aromatic |
| C11 | C07 | sing | 1.41Å | 1.37Å | Aromatic |
| N10 | N09 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C07 | sing | 1.48Å | 1.45Å | |
| C05 | S06 | sing | 1.76Å | 1.82Å | Aromatic |
| C07 | C08 | doub | 1.37Å | 1.42Å | Aromatic |
| C02 | CL | sing | 1.74Å | 1.78Å | |
| C02 | S06 | sing | 1.76Å | 1.79Å | Aromatic |
| N09 | C08 | sing | 1.35Å | 1.31Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| N09 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | C05 | 114.8° | 114.7° |
| C04 | C03 | C02 | 112.7° | 115.0° |
| C04 | C03 | H2 | 123.6° | 122.5° |
| C03 | C04 | H3 | 122.6° | 122.7° |
| C04 | C05 | C07 | 126.8° | 125.3° |
| C04 | C05 | S06 | 110.7° | 109.5° |
| C05 | C04 | H3 | 122.6° | 122.6° |
| C03 | C02 | CL | 125.3° | 125.2° |
| C03 | C02 | S06 | 113.6° | 109.7° |
| C02 | C03 | H2 | 123.7° | 122.5° |
| N10 | C11 | C07 | 107.8° | 108.1° |
| C11 | N10 | N09 | 110.9° | 108.6° |
| N10 | C11 | H1 | 126.1° | 125.9° |
| C11 | C07 | C05 | 127.6° | 126.2° |
| C11 | C07 | C08 | 104.6° | 107.5° |
| C07 | C11 | H1 | 126.1° | 126.0° |
| N10 | N09 | C08 | 105.3° | 108.2° |
| N10 | N09 | H5 | 127.3° | 125.9° |
| C07 | C05 | S06 | 122.4° | 125.2° |
| C05 | C07 | C08 | 127.8° | 126.3° |
| C05 | S06 | C02 | 88.2° | 91.0° |
| C07 | C08 | N09 | 111.3° | 107.6° |
| C07 | C08 | H4 | 124.3° | 126.2° |
| CL | C02 | S06 | 121.1° | 125.1° |
| N09 | C08 | H4 | 124.3° | 126.3° |
| C08 | N09 | H5 | 127.3° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | C05 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 180.0° | 179.9° |
| C03 | C04 | C05 | C07 | 179.9° | 180.0° |
| C03 | C04 | C05 | S06 | 0.1° | 0.2° |
| C04 | C03 | C02 | CL | 179.7° | 180.0° |
| C04 | C03 | C02 | S06 | 0.0° | 0.3° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | C05 | C07 | C11 | 33.3° | 0.0° |
| C04 | C05 | C07 | S06 | 180.0° | 179.7° |
| C04 | C05 | C07 | C08 | 146.3° | 179.9° |
| C04 | C05 | S06 | C02 | 0.1° | 0.3° |
| C05 | C04 | C03 | H2 | 179.9° | 180.0° |
| C03 | C02 | S06 | C05 | 0.0° | 0.4° |
| C03 | C02 | CL | S06 | 179.7° | 179.6° |
| C02 | C03 | C04 | H3 | 179.9° | 179.9° |
| N10 | C11 | C07 | H1 | 180.0° | 179.7° |
| N10 | C11 | C07 | C05 | 179.7° | 180.0° |
| N10 | C11 | C07 | C08 | 0.0° | 0.1° |
| C11 | N10 | N09 | C08 | 0.1° | 0.0° |
| C11 | N10 | N09 | H5 | 179.9° | 180.0° |
| C07 | C11 | N10 | N09 | 0.0° | 0.0° |
| C11 | C07 | C05 | C08 | 179.6° | 180.0° |
| C11 | C07 | C05 | S06 | 146.7° | 179.7° |
| C11 | C07 | C08 | N09 | 0.1° | 0.1° |
| C11 | C07 | C08 | H4 | 179.9° | 180.0° |
| N10 | N09 | C08 | C07 | 0.1° | 0.0° |
| N10 | N09 | C08 | H5 | 180.0° | 180.0° |
| N09 | N10 | C11 | H1 | 179.9° | 179.8° |
| N10 | N09 | C08 | H4 | 179.9° | 180.0° |
| C07 | C05 | S06 | C02 | 180.0° | 179.9° |
| C05 | C07 | C08 | N09 | 179.8° | 180.0° |
| C05 | C07 | C11 | H1 | 0.3° | 0.2° |
| C07 | C05 | C04 | H3 | 0.1° | 0.1° |
| C05 | C07 | C08 | H4 | 0.3° | 0.1° |
| S06 | C05 | C07 | C08 | 33.7° | 0.3° |
| C05 | S06 | C02 | CL | 179.7° | 180.0° |
| S06 | C05 | C04 | H3 | 179.9° | 179.8° |
| C07 | C08 | N09 | H4 | 180.0° | 179.9° |
| C08 | C07 | C11 | H1 | 180.0° | 179.8° |
| C07 | C08 | N09 | H5 | 179.9° | 180.0° |
| CL | C02 | C03 | H2 | 0.3° | 0.1° |
| S06 | C02 | C03 | H2 | 180.0° | 179.8° |
| H2 | C03 | C04 | H3 | 0.1° | 0.0° |
| H4 | C08 | N09 | H5 | 0.1° | 0.1° |
