1QV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F02 | C02 | sing | 1.35Å | 1.30Å | |
| F03 | C03 | sing | 1.35Å | 1.33Å | |
| C02 | C03 | doub | 1.38Å | 1.42Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.32Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| F01 | C01 | sing | 1.35Å | 1.30Å | |
| C01 | C06 | doub | 1.37Å | 1.50Å | Aromatic |
| C04 | S02 | sing | 1.76Å | 1.84Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| S02 | C07 | sing | 1.71Å | 1.86Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.32Å | Aromatic |
| C06 | F04 | sing | 1.35Å | 1.31Å | |
| C05 | N01 | sing | 1.35Å | 1.32Å | Aromatic |
| N01 | C07 | doub | 1.28Å | 1.50Å | Aromatic |
| C07 | S01 | sing | 1.76Å | 1.76Å | |
| N02 | S01 | sing | 1.66Å | 1.68Å | |
| O01 | S01 | doub | 1.42Å | 1.45Å | |
| S01 | O02 | doub | 1.42Å | 1.44Å | |
| N02 | H1 | sing | 0.97Å | 1.00Å | |
| N02 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F02 | C02 | C03 | 115.0° | 120.0° |
| F02 | C02 | C01 | 123.0° | 120.0° |
| F03 | C03 | C02 | 124.6° | 119.9° |
| F03 | C03 | C04 | 120.7° | 119.9° |
| C03 | C02 | C01 | 122.1° | 120.0° |
| C02 | C03 | C04 | 114.7° | 120.1° |
| C02 | C01 | F01 | 122.9° | 119.7° |
| C02 | C01 | C06 | 121.3° | 120.6° |
| C03 | C04 | S02 | 126.8° | 131.6° |
| C03 | C04 | C05 | 124.5° | 120.4° |
| F01 | C01 | C06 | 115.8° | 119.8° |
| C01 | C06 | C05 | 117.9° | 120.3° |
| C01 | C06 | F04 | 120.7° | 119.8° |
| S02 | C04 | C05 | 108.7° | 108.0° |
| C04 | S02 | C07 | 93.4° | 90.9° |
| C04 | C05 | C06 | 119.5° | 118.6° |
| C04 | C05 | N01 | 115.4° | 111.9° |
| S02 | C07 | N01 | 102.0° | 111.5° |
| S02 | C07 | S01 | 125.5° | 124.3° |
| C05 | C06 | F04 | 121.4° | 119.8° |
| C06 | C05 | N01 | 125.1° | 129.6° |
| C05 | N01 | C07 | 120.5° | 117.9° |
| N01 | C07 | S01 | 132.4° | 124.3° |
| C07 | S01 | N02 | 101.5° | 107.2° |
| C07 | S01 | O01 | 110.8° | 106.4° |
| C07 | S01 | O02 | 101.0° | 106.4° |
| N02 | S01 | O01 | 111.0° | 106.4° |
| N02 | S01 | O02 | 112.7° | 106.4° |
| S01 | N02 | H1 | 109.5° | 120.0° |
| S01 | N02 | H2 | 109.4° | 120.0° |
| O01 | S01 | O02 | 118.2° | 123.2° |
| H1 | N02 | H2 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F02 | C02 | C03 | F03 | 0.1° | 0.1° |
| F02 | C02 | C03 | C01 | 180.0° | 179.9° |
| F02 | C02 | C03 | C04 | 179.9° | 180.0° |
| F02 | C02 | C01 | F01 | 0.1° | 0.3° |
| F02 | C02 | C01 | C06 | 180.0° | 180.0° |
| F03 | C03 | C02 | C04 | 180.0° | 180.0° |
| F03 | C03 | C02 | C01 | 179.9° | 180.0° |
| F03 | C03 | C04 | S02 | 0.1° | 0.0° |
| F03 | C03 | C04 | C05 | 180.0° | 180.0° |
| C03 | C02 | C01 | F01 | 179.9° | 179.8° |
| C03 | C02 | C01 | C06 | 0.0° | 0.1° |
| C02 | C03 | C04 | S02 | 179.9° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | F01 | C06 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C02 | C01 | C06 | F04 | 180.0° | 179.9° |
| C03 | C04 | S02 | C05 | 179.9° | 180.0° |
| C03 | C04 | S02 | C07 | 179.7° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | N01 | 179.7° | 180.0° |
| F01 | C01 | C06 | C05 | 179.9° | 179.7° |
| F01 | C01 | C06 | F04 | 0.1° | 0.2° |
| C01 | C06 | C05 | C04 | 0.1° | 0.0° |
| C01 | C06 | C05 | F04 | 179.9° | 180.0° |
| C01 | C06 | C05 | N01 | 179.7° | 180.0° |
| S02 | C04 | C05 | C06 | 180.0° | 180.0° |
| S02 | C04 | C05 | N01 | 0.2° | 0.0° |
| C04 | S02 | C07 | N01 | 0.2° | 0.0° |
| C04 | S02 | C07 | S01 | 176.6° | 180.0° |
| C05 | C04 | S02 | C07 | 0.2° | 0.0° |
| C04 | C05 | C06 | N01 | 179.8° | 180.0° |
| C04 | C05 | C06 | F04 | 179.9° | 180.0° |
| C04 | C05 | N01 | C07 | 0.1° | 0.1° |
| S02 | C07 | N01 | C05 | 0.1° | 0.1° |
| S02 | C07 | N01 | S01 | 176.5° | 179.9° |
| S02 | C07 | S01 | N02 | 127.0° | 90.0° |
| S02 | C07 | S01 | O01 | 9.1° | 23.5° |
| S02 | C07 | S01 | O02 | 116.9° | 156.5° |
| C06 | C05 | N01 | C07 | 179.9° | 180.0° |
| F04 | C06 | C05 | N01 | 0.3° | 0.0° |
| C05 | N01 | C07 | S01 | 176.4° | 180.0° |
| N01 | C07 | S01 | N02 | 57.2° | 90.1° |
| N01 | C07 | S01 | O01 | 175.1° | 156.4° |
| N01 | C07 | S01 | O02 | 58.9° | 23.5° |
| C07 | S01 | N02 | O01 | 117.7° | 113.5° |
| C07 | S01 | N02 | O02 | 107.2° | 113.5° |
| C07 | S01 | O01 | O02 | 115.8° | 123.0° |
| C07 | S01 | N02 | H1 | 180.0° | 150.0° |
| C07 | S01 | N02 | H2 | 60.0° | 30.0° |
| N02 | S01 | O01 | O02 | 132.3° | 123.0° |
| S01 | N02 | H1 | H2 | 120.0° | 180.0° |
| O01 | S01 | N02 | H1 | 62.3° | 36.5° |
| O01 | S01 | N02 | H2 | 57.8° | 143.5° |
| O02 | S01 | N02 | H1 | 72.8° | 96.5° |
| O02 | S01 | N02 | H2 | 167.2° | 83.5° |
