5WK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | doub | 1.38Å | 1.35Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.33Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.49Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.35Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.43Å | Aromatic |
| C01 | O | sing | 1.36Å | 1.42Å | |
| C06 | C07 | sing | 1.48Å | 1.52Å | |
| C07 | C08 | sing | 1.41Å | 1.44Å | Aromatic |
| C07 | N | doub | 1.32Å | 1.37Å | Aromatic |
| C08 | C09 | doub | 1.35Å | 1.39Å | Aromatic |
| N | N01 | sing | 1.40Å | 1.33Å | Aromatic |
| F01 | C10 | sing | 1.40Å | 1.32Å | |
| C09 | N01 | sing | 1.35Å | 1.31Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.46Å | |
| C10 | F02 | sing | 1.40Å | 1.30Å | |
| C10 | C | sing | 1.53Å | 1.49Å | |
| F | C | sing | 1.40Å | 1.33Å | |
| C | F03 | sing | 1.40Å | 1.35Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | C05 | 122.1° | 120.3° |
| C04 | C03 | C02 | 123.4° | 120.3° |
| C04 | C03 | H3 | 118.3° | 119.8° |
| C03 | C04 | H4 | 118.9° | 119.9° |
| C04 | C05 | C06 | 115.7° | 119.9° |
| C05 | C04 | H4 | 119.0° | 119.9° |
| C04 | C05 | H5 | 122.1° | 120.1° |
| C03 | C02 | C01 | 118.7° | 120.1° |
| C03 | C02 | H2 | 120.7° | 120.0° |
| C02 | C03 | H3 | 118.3° | 119.9° |
| C05 | C06 | C01 | 115.9° | 119.7° |
| C05 | C06 | C07 | 120.9° | 120.1° |
| C06 | C05 | H5 | 122.2° | 120.1° |
| C02 | C01 | C06 | 124.1° | 119.8° |
| C02 | C01 | O | 119.3° | 120.1° |
| C01 | C02 | H2 | 120.7° | 120.0° |
| C06 | C01 | O | 116.6° | 120.1° |
| C01 | C06 | C07 | 123.1° | 120.1° |
| C01 | O | H1 | 109.5° | 114.0° |
| C06 | C07 | C08 | 130.5° | 126.0° |
| C06 | C07 | N | 122.7° | 126.1° |
| C08 | C07 | N | 106.5° | 107.9° |
| C07 | C08 | C09 | 104.5° | 107.8° |
| C07 | C08 | H6 | 127.8° | 126.1° |
| C07 | N | N01 | 108.4° | 108.1° |
| C08 | C09 | N01 | 109.8° | 108.0° |
| C08 | C09 | C10 | 130.4° | 126.0° |
| C09 | C08 | H6 | 127.8° | 126.1° |
| N | N01 | C09 | 110.7° | 108.1° |
| N | N01 | H7 | 124.7° | 126.0° |
| F01 | C10 | C09 | 107.9° | 109.5° |
| F01 | C10 | F02 | 104.0° | 109.5° |
| F01 | C10 | C | 118.6° | 109.4° |
| N01 | C09 | C10 | 119.6° | 126.0° |
| C09 | N01 | H7 | 124.7° | 126.0° |
| C09 | C10 | F02 | 107.9° | 109.5° |
| C09 | C10 | C | 112.0° | 109.5° |
| F02 | C10 | C | 105.7° | 109.5° |
| C10 | C | F | 109.1° | 109.4° |
| C10 | C | F03 | 100.4° | 109.5° |
| C10 | C | H8 | 110.5° | 109.5° |
| F | C | F03 | 110.2° | 109.5° |
| F | C | H8 | 113.2° | 109.4° |
| F03 | C | H8 | 112.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | C05 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 3.2° | 0.0° |
| C04 | C03 | C02 | C01 | 3.6° | 0.0° |
| C04 | C03 | C02 | H2 | 176.4° | 180.0° |
| C03 | C04 | C05 | H5 | 176.8° | 179.9° |
| C05 | C04 | C03 | C02 | 4.7° | 0.0° |
| C04 | C05 | C06 | H5 | 180.0° | 179.9° |
| C04 | C05 | C06 | C01 | 0.9° | 0.1° |
| C04 | C05 | C06 | C07 | 177.4° | 179.8° |
| C05 | C04 | C03 | H3 | 175.3° | 180.0° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 1.2° | 0.0° |
| C03 | C02 | C01 | O | 177.5° | 179.7° |
| C02 | C03 | C04 | H4 | 175.3° | 180.0° |
| C05 | C06 | C01 | C02 | 0.0° | 0.0° |
| C05 | C06 | C01 | C07 | 178.3° | 179.7° |
| C05 | C06 | C01 | O | 178.8° | 179.7° |
| C05 | C06 | C07 | C08 | 3.4° | 0.3° |
| C05 | C06 | C07 | N | 170.0° | 179.4° |
| C06 | C05 | C04 | H4 | 176.8° | 179.9° |
| C02 | C01 | C06 | O | 178.8° | 179.7° |
| C02 | C01 | C06 | C07 | 178.2° | 179.8° |
| C02 | C01 | O | H1 | 180.0° | 89.8° |
| C01 | C02 | C03 | H3 | 176.4° | 180.0° |
| C01 | C06 | C07 | C08 | 178.4° | 180.0° |
| C01 | C06 | C07 | N | 8.2° | 0.3° |
| C06 | C01 | O | H1 | 1.1° | 90.0° |
| C06 | C01 | C02 | H2 | 178.8° | 180.0° |
| C01 | C06 | C05 | H5 | 179.1° | 179.9° |
| O | C01 | C06 | C07 | 3.0° | 0.0° |
| O | C01 | C02 | H2 | 2.5° | 0.2° |
| C06 | C07 | C08 | N | 174.2° | 179.7° |
| C06 | C07 | C08 | C09 | 176.6° | 180.0° |
| C06 | C07 | N | N01 | 179.0° | 179.9° |
| C07 | C06 | C05 | H5 | 2.6° | 0.3° |
| C06 | C07 | C08 | H6 | 3.4° | 0.0° |
| C07 | C08 | C09 | H6 | 180.0° | 180.0° |
| C08 | C07 | N | N01 | 4.3° | 0.4° |
| C07 | C08 | C09 | N01 | 0.3° | 0.0° |
| C07 | C08 | C09 | C10 | 176.3° | 179.9° |
| N | C07 | C08 | C09 | 2.4° | 0.2° |
| C07 | N | N01 | C09 | 4.7° | 0.4° |
| N | C07 | C08 | H6 | 177.6° | 179.7° |
| C07 | N | N01 | H7 | 175.3° | 179.8° |
| C08 | C09 | N01 | N | 3.1° | 0.3° |
| C08 | C09 | C10 | F01 | 18.8° | 150.0° |
| C08 | C09 | N01 | C10 | 176.4° | 179.9° |
| C08 | C09 | C10 | F02 | 130.6° | 30.0° |
| C08 | C09 | C10 | C | 113.5° | 90.1° |
| C08 | C09 | N01 | H7 | 176.9° | 179.9° |
| N | N01 | C09 | H7 | 180.0° | 179.8° |
| N | N01 | C09 | C10 | 179.5° | 179.8° |
| F01 | C10 | C09 | N01 | 156.8° | 29.9° |
| F01 | C10 | C09 | F02 | 111.9° | 120.1° |
| F01 | C10 | C09 | C | 132.2° | 119.9° |
| F01 | C10 | F02 | C | 125.6° | 119.9° |
| F01 | C10 | C | F | 86.7° | 180.0° |
| F01 | C10 | C | F03 | 29.1° | 60.1° |
| F01 | C10 | C | H8 | 148.2° | 60.0° |
| N01 | C09 | C10 | F02 | 45.0° | 150.0° |
| N01 | C09 | C10 | C | 70.9° | 90.0° |
| N01 | C09 | C08 | H6 | 179.6° | 180.0° |
| C09 | C10 | F02 | C | 119.9° | 120.0° |
| C09 | C10 | C | F | 40.0° | 60.0° |
| C09 | C10 | C | F03 | 155.7° | 180.0° |
| C10 | C09 | C08 | H6 | 3.7° | 0.1° |
| C10 | C09 | N01 | H7 | 0.4° | 0.0° |
| C09 | C10 | C | H8 | 85.1° | 59.9° |
| F02 | C10 | C | F | 157.2° | 60.0° |
| F02 | C10 | C | F03 | 87.1° | 59.9° |
| F02 | C10 | C | H8 | 32.1° | 180.0° |
| C10 | C | F | F03 | 109.3° | 120.0° |
| C10 | C | F | H8 | 123.5° | 120.0° |
| C10 | C | F03 | H8 | 117.6° | 120.1° |
| F | C | F03 | H8 | 127.5° | 120.0° |
| H2 | C02 | C03 | H3 | 3.6° | 0.0° |
| H3 | C03 | C04 | H4 | 4.7° | 0.0° |
| H4 | C04 | C05 | H5 | 3.2° | 0.1° |
