4ZA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | doub | 1.32Å | 1.37Å | Aromatic |
| C08 | S09 | sing | 1.75Å | 1.70Å | Aromatic |
| C07 | C06 | sing | 1.46Å | 1.43Å | Aromatic |
| S09 | C10 | sing | 1.76Å | 1.65Å | Aromatic |
| C06 | C10 | doub | 1.38Å | 1.45Å | Aromatic |
| C06 | C05 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | N11 | sing | 1.37Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.36Å | 1.40Å | Aromatic |
| N11 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.46Å | 1.46Å | |
| C02 | O03 | doub | 1.22Å | 1.37Å | |
| C02 | O01 | sing | 1.35Å | 1.23Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | S09 | 113.4° | 111.3° |
| C08 | C07 | C06 | 111.1° | 114.6° |
| C08 | C07 | H3 | 124.4° | 122.7° |
| C07 | C08 | H4 | 123.3° | 124.3° |
| C08 | S09 | C10 | 93.0° | 92.1° |
| S09 | C08 | H4 | 123.3° | 124.4° |
| C07 | C06 | C10 | 110.8° | 112.2° |
| C07 | C06 | C05 | 143.2° | 140.8° |
| C06 | C07 | H3 | 124.5° | 122.6° |
| S09 | C10 | C06 | 111.6° | 109.8° |
| S09 | C10 | N11 | 138.6° | 142.0° |
| C10 | C06 | C05 | 106.0° | 107.0° |
| C06 | C10 | N11 | 109.8° | 108.2° |
| C06 | C05 | C04 | 106.6° | 107.6° |
| C06 | C05 | H2 | 126.7° | 126.2° |
| C10 | N11 | C04 | 106.8° | 108.6° |
| C10 | N11 | H5 | 126.6° | 125.6° |
| C05 | C04 | N11 | 110.7° | 108.6° |
| C05 | C04 | C02 | 127.7° | 125.7° |
| C04 | C05 | H2 | 126.7° | 126.2° |
| N11 | C04 | C02 | 121.6° | 125.7° |
| C04 | N11 | H5 | 126.6° | 125.7° |
| C04 | C02 | O03 | 110.1° | 120.0° |
| C04 | C02 | O01 | 125.7° | 120.0° |
| O03 | C02 | O01 | 116.3° | 120.0° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | S09 | H4 | 180.0° | 179.9° |
| C08 | C07 | C06 | H3 | 180.0° | 179.9° |
| C07 | C08 | S09 | C10 | 0.8° | 0.2° |
| C08 | C07 | C06 | C10 | 0.1° | 0.0° |
| C08 | C07 | C06 | C05 | 179.9° | 179.9° |
| S09 | C08 | C07 | C06 | 0.6° | 0.2° |
| C08 | S09 | C10 | C06 | 0.7° | 0.2° |
| C08 | S09 | C10 | N11 | 179.6° | 180.0° |
| S09 | C08 | C07 | H3 | 179.3° | 179.7° |
| C07 | C06 | C10 | S09 | 0.4° | 0.2° |
| C07 | C06 | C10 | C05 | 180.0° | 179.9° |
| C07 | C06 | C10 | N11 | 179.8° | 180.0° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C07 | C06 | C05 | H2 | 0.3° | 0.0° |
| C06 | C07 | C08 | H4 | 179.4° | 179.9° |
| S09 | C10 | C06 | N11 | 179.8° | 179.8° |
| S09 | C10 | C06 | C05 | 179.6° | 179.8° |
| S09 | C10 | N11 | C04 | 179.6° | 179.7° |
| C10 | S09 | C08 | H4 | 179.2° | 179.9° |
| S09 | C10 | N11 | H5 | 0.4° | 0.2° |
| C10 | C06 | C05 | C04 | 0.2° | 0.1° |
| C06 | C10 | N11 | C04 | 0.1° | 0.0° |
| C10 | C06 | C05 | H2 | 179.7° | 179.9° |
| C10 | C06 | C07 | H3 | 179.8° | 179.9° |
| C06 | C10 | N11 | H5 | 179.9° | 180.0° |
| C05 | C06 | C10 | N11 | 0.2° | 0.1° |
| C06 | C05 | C04 | H2 | 180.0° | 180.0° |
| C06 | C05 | C04 | N11 | 0.2° | 0.0° |
| C06 | C05 | C04 | C02 | 179.2° | 179.9° |
| C05 | C06 | C07 | H3 | 0.2° | 0.0° |
| C10 | N11 | C04 | C05 | 0.0° | 0.0° |
| C10 | N11 | C04 | H5 | 180.0° | 179.9° |
| C10 | N11 | C04 | C02 | 179.1° | 180.0° |
| C05 | C04 | N11 | C02 | 179.1° | 180.0° |
| C05 | C04 | C02 | O03 | 23.3° | 0.1° |
| C05 | C04 | C02 | O01 | 170.9° | 180.0° |
| C05 | C04 | N11 | H5 | 180.0° | 179.9° |
| N11 | C04 | C02 | O03 | 157.8° | 180.0° |
| N11 | C04 | C02 | O01 | 10.1° | 0.1° |
| N11 | C04 | C05 | H2 | 179.8° | 180.0° |
| C04 | C02 | O03 | O01 | 151.0° | 179.9° |
| C04 | C02 | O01 | H1 | 145.9° | 180.0° |
| C02 | C04 | C05 | H2 | 0.8° | 0.1° |
| C02 | C04 | N11 | H5 | 0.9° | 0.1° |
| O03 | C02 | O01 | H1 | 0.0° | 0.1° |
| H3 | C07 | C08 | H4 | 0.7° | 0.1° |
