FK0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C18 | sing | 1.89Å | 1.93Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | F22 | sing | 1.35Å | 1.33Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C13 | sing | 1.51Å | 1.55Å | |
| C13 | N07 | sing | 1.46Å | 1.45Å | |
| N11 | C03 | sing | 1.39Å | 1.45Å | |
| N04 | C03 | doub | 1.32Å | 1.30Å | Aromatic |
| N04 | C05 | sing | 1.33Å | 1.36Å | Aromatic |
| N07 | C05 | sing | 1.38Å | 1.36Å | Aromatic |
| N07 | C08 | sing | 1.37Å | 1.35Å | Aromatic |
| C03 | N02 | sing | 1.33Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.41Å | 1.38Å | Aromatic |
| C08 | O12 | sing | 1.35Å | 1.46Å | |
| C08 | N09 | doub | 1.31Å | 1.32Å | Aromatic |
| N02 | C01 | doub | 1.32Å | 1.32Å | Aromatic |
| C06 | N09 | sing | 1.36Å | 1.37Å | Aromatic |
| C06 | C01 | sing | 1.40Å | 1.41Å | Aromatic |
| C01 | CL | sing | 1.74Å | 1.80Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| N11 | H112 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C18 | C17 | 118.8° | 120.0° |
| BR | C18 | C19 | 121.3° | 120.0° |
| C17 | C18 | C19 | 119.9° | 120.1° |
| C18 | C17 | C16 | 120.1° | 119.9° |
| C18 | C17 | H171 | 119.9° | 120.0° |
| C18 | C19 | C20 | 120.0° | 120.0° |
| C18 | C19 | H191 | 120.0° | 120.0° |
| C17 | C16 | F22 | 119.0° | 120.0° |
| C17 | C16 | C15 | 120.3° | 119.9° |
| C16 | C17 | H171 | 120.0° | 120.0° |
| C19 | C20 | C15 | 120.2° | 120.0° |
| C20 | C19 | H191 | 120.0° | 120.0° |
| C19 | C20 | H201 | 119.9° | 120.0° |
| F22 | C16 | C15 | 120.6° | 120.0° |
| C16 | C15 | C20 | 119.5° | 120.0° |
| C16 | C15 | C13 | 120.1° | 120.0° |
| C20 | C15 | C13 | 120.4° | 120.0° |
| C15 | C20 | H201 | 119.9° | 120.0° |
| C15 | C13 | N07 | 108.3° | 109.5° |
| C15 | C13 | H131 | 109.8° | 109.4° |
| C15 | C13 | H132 | 109.8° | 109.5° |
| C13 | N07 | C05 | 126.3° | 126.3° |
| C13 | N07 | C08 | 125.8° | 126.3° |
| N07 | C13 | H131 | 109.8° | 109.5° |
| N07 | C13 | H132 | 109.8° | 109.5° |
| N11 | C03 | N04 | 118.7° | 118.9° |
| N11 | C03 | N02 | 119.0° | 118.9° |
| C03 | N11 | H112 | 109.5° | 120.0° |
| C03 | N11 | H111 | 109.5° | 120.0° |
| C03 | N04 | C05 | 120.3° | 120.4° |
| N04 | C03 | N02 | 122.3° | 122.2° |
| N04 | C05 | N07 | 133.4° | 134.8° |
| N04 | C05 | C06 | 119.7° | 119.2° |
| C05 | N07 | C08 | 107.9° | 107.5° |
| N07 | C05 | C06 | 106.9° | 106.1° |
| N07 | C08 | O12 | 124.9° | 125.1° |
| N07 | C08 | N09 | 110.1° | 109.9° |
| C03 | N02 | C01 | 120.1° | 121.3° |
| C05 | C06 | N09 | 107.2° | 107.2° |
| C05 | C06 | C01 | 117.7° | 118.3° |
| O12 | C08 | N09 | 125.0° | 125.0° |
| C08 | O12 | H121 | 109.5° | 114.0° |
| C08 | N09 | C06 | 107.9° | 109.4° |
| N02 | C01 | C06 | 119.9° | 118.7° |
| N02 | C01 | CL | 120.1° | 120.7° |
| N09 | C06 | C01 | 135.1° | 134.5° |
| C06 | C01 | CL | 120.0° | 120.7° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H112 | N11 | H111 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C18 | C17 | C19 | 180.0° | 180.0° |
| BR | C18 | C17 | C16 | 179.9° | 180.0° |
| BR | C18 | C19 | C20 | 180.0° | 179.7° |
| BR | C18 | C19 | H191 | 0.0° | 0.2° |
| BR | C18 | C17 | H171 | 0.1° | 0.0° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.2° |
| C18 | C17 | C16 | F22 | 179.8° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C17 | C18 | C19 | H191 | 179.9° | 179.7° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | H191 | 180.0° | 179.5° |
| C18 | C19 | C20 | C15 | 0.2° | 0.5° |
| C19 | C18 | C17 | H171 | 179.9° | 180.0° |
| C18 | C19 | C20 | H201 | 179.8° | 180.0° |
| C17 | C16 | F22 | C15 | 179.7° | 180.0° |
| C17 | C16 | C15 | C20 | 0.3° | 0.3° |
| C17 | C16 | C15 | C13 | 179.6° | 180.0° |
| C19 | C20 | C15 | C16 | 0.4° | 0.5° |
| C19 | C20 | C15 | H201 | 180.0° | 179.5° |
| C19 | C20 | C15 | C13 | 179.7° | 179.7° |
| F22 | C16 | C15 | C20 | 179.9° | 179.8° |
| F22 | C16 | C15 | C13 | 0.7° | 0.0° |
| F22 | C16 | C17 | H171 | 0.2° | 0.0° |
| C16 | C15 | C20 | C13 | 179.3° | 179.8° |
| C16 | C15 | C13 | N07 | 75.3° | 85.0° |
| C16 | C15 | C13 | H131 | 44.5° | 155.0° |
| C16 | C15 | C13 | H132 | 164.9° | 35.1° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C16 | C15 | C20 | H201 | 179.6° | 180.0° |
| C20 | C15 | C13 | N07 | 103.9° | 95.2° |
| C20 | C15 | C13 | H131 | 136.2° | 24.7° |
| C20 | C15 | C13 | H132 | 15.9° | 144.7° |
| C15 | C20 | C19 | H191 | 179.8° | 180.0° |
| C15 | C13 | N07 | H131 | 119.8° | 120.0° |
| C15 | C13 | N07 | H132 | 119.8° | 120.0° |
| C15 | C13 | N07 | C05 | 91.8° | 90.0° |
| C15 | C13 | N07 | C08 | 87.6° | 90.0° |
| C15 | C13 | H131 | H132 | 120.5° | 120.0° |
| C13 | C15 | C20 | H201 | 0.3° | 0.2° |
| C13 | N07 | C05 | N04 | 0.8° | 0.1° |
| C13 | N07 | C05 | C08 | 179.4° | 180.0° |
| C13 | N07 | C05 | C06 | 179.7° | 180.0° |
| C13 | N07 | C08 | O12 | 0.4° | 0.0° |
| C13 | N07 | C08 | N09 | 179.7° | 180.0° |
| N07 | C13 | H131 | H132 | 120.5° | 120.0° |
| N11 | C03 | N04 | N02 | 179.8° | 180.0° |
| N11 | C03 | N04 | C05 | 179.8° | 179.7° |
| N11 | C03 | N02 | C01 | 180.0° | 180.0° |
| C03 | N11 | H112 | H111 | 120.0° | 180.0° |
| C03 | N04 | C05 | N07 | 179.9° | 179.8° |
| C03 | N04 | C05 | C06 | 0.4° | 0.3° |
| N04 | C03 | N02 | C01 | 0.2° | 0.0° |
| N04 | C03 | N11 | H112 | 0.0° | 180.0° |
| N04 | C03 | N11 | H111 | 120.0° | 0.0° |
| N04 | C05 | N07 | C06 | 179.6° | 179.9° |
| N04 | C05 | N07 | C08 | 179.8° | 180.0° |
| C05 | N04 | C03 | N02 | 0.4° | 0.3° |
| N04 | C05 | C06 | N09 | 179.8° | 180.0° |
| N04 | C05 | C06 | C01 | 0.2° | 0.0° |
| C05 | N07 | C08 | O12 | 179.9° | 180.0° |
| C05 | N07 | C08 | N09 | 0.2° | 0.0° |
| N07 | C05 | C06 | N09 | 0.2° | 0.0° |
| N07 | C05 | C06 | C01 | 179.8° | 180.0° |
| C05 | N07 | C13 | H131 | 28.0° | 29.9° |
| C05 | N07 | C13 | H132 | 148.4° | 150.0° |
| C08 | N07 | C05 | C06 | 0.2° | 0.0° |
| N07 | C08 | O12 | N09 | 179.9° | 180.0° |
| N07 | C08 | N09 | C06 | 0.1° | 0.0° |
| C08 | N07 | C13 | H131 | 152.6° | 150.0° |
| C08 | N07 | C13 | H132 | 32.2° | 30.0° |
| N07 | C08 | O12 | H121 | 179.9° | 90.0° |
| C03 | N02 | C01 | C06 | 0.0° | 0.3° |
| C03 | N02 | C01 | CL | 179.9° | 180.0° |
| N02 | C03 | N11 | H112 | 179.8° | 0.0° |
| N02 | C03 | N11 | H111 | 59.8° | 180.0° |
| C05 | C06 | N09 | C08 | 0.1° | 0.0° |
| C05 | C06 | C01 | N02 | 0.0° | 0.3° |
| C05 | C06 | N09 | C01 | 180.0° | 180.0° |
| C05 | C06 | C01 | CL | 179.9° | 180.0° |
| O12 | C08 | N09 | C06 | 180.0° | 180.0° |
| C08 | N09 | C06 | C01 | 180.0° | 180.0° |
| N09 | C08 | O12 | H121 | 0.0° | 90.0° |
| N02 | C01 | C06 | N09 | 180.0° | 179.7° |
| N02 | C01 | C06 | CL | 179.9° | 179.7° |
| N09 | C06 | C01 | CL | 0.1° | 0.0° |
| H191 | C19 | C20 | H201 | 0.2° | 0.5° |
