FE6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C14 | sing | 1.89Å | 1.91Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | F1 | sing | 1.35Å | 1.34Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N07 | sing | 1.46Å | 1.42Å | |
| N07 | C05 | sing | 1.36Å | 1.36Å | Aromatic |
| N07 | N08 | sing | 1.40Å | 1.30Å | Aromatic |
| N04 | C05 | doub | 1.33Å | 1.37Å | Aromatic |
| N04 | C03 | sing | 1.32Å | 1.32Å | Aromatic |
| N19 | C03 | sing | 1.38Å | 1.42Å | |
| C05 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| N08 | C09 | doub | 1.30Å | 1.34Å | Aromatic |
| C03 | N02 | doub | 1.33Å | 1.34Å | Aromatic |
| C06 | C09 | sing | 1.46Å | 1.45Å | Aromatic |
| C06 | C01 | doub | 1.40Å | 1.43Å | Aromatic |
| N02 | C01 | sing | 1.32Å | 1.35Å | Aromatic |
| C01 | CL1 | sing | 1.74Å | 1.74Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N19 | H192 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C14 | C13 | 120.0° | 120.0° |
| BR1 | C14 | C15 | 119.7° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C14 | C13 | H131 | 120.1° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H151 | 120.0° | 120.0° |
| C13 | C12 | F1 | 120.0° | 120.0° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C12 | C13 | H131 | 120.2° | 120.0° |
| C15 | C16 | C11 | 119.8° | 120.0° |
| C16 | C15 | H151 | 120.0° | 120.0° |
| C15 | C16 | H161 | 120.1° | 120.0° |
| F1 | C12 | C11 | 120.3° | 120.0° |
| C12 | C11 | C16 | 120.5° | 120.0° |
| C12 | C11 | C10 | 120.7° | 120.0° |
| C16 | C11 | C10 | 118.8° | 120.0° |
| C11 | C16 | H161 | 120.2° | 120.0° |
| C11 | C10 | N07 | 107.8° | 109.5° |
| C11 | C10 | H101 | 109.9° | 109.5° |
| C11 | C10 | H102 | 109.9° | 109.5° |
| C10 | N07 | C05 | 123.9° | 125.4° |
| C10 | N07 | N08 | 125.1° | 125.4° |
| N07 | C10 | H101 | 109.9° | 109.5° |
| N07 | C10 | H102 | 109.9° | 109.4° |
| C05 | N07 | N08 | 111.0° | 109.3° |
| N07 | C05 | N04 | 133.8° | 134.6° |
| N07 | C05 | C06 | 106.5° | 106.7° |
| N07 | N08 | C09 | 111.1° | 110.1° |
| C05 | N04 | C03 | 121.1° | 120.5° |
| N04 | C05 | C06 | 119.7° | 118.7° |
| N04 | C03 | N19 | 118.6° | 118.8° |
| N04 | C03 | N02 | 120.9° | 122.5° |
| N19 | C03 | N02 | 120.5° | 118.8° |
| C03 | N19 | H191 | 109.5° | 120.0° |
| C03 | N19 | H192 | 109.5° | 120.1° |
| C05 | C06 | C09 | 105.1° | 106.4° |
| C05 | C06 | C01 | 117.5° | 118.7° |
| N08 | C09 | C06 | 106.3° | 107.6° |
| N08 | C09 | H091 | 126.9° | 126.1° |
| C03 | N02 | C01 | 122.9° | 121.1° |
| C09 | C06 | C01 | 137.4° | 135.0° |
| C06 | C09 | H091 | 126.9° | 126.2° |
| C06 | C01 | N02 | 117.9° | 118.6° |
| C06 | C01 | CL1 | 120.7° | 120.7° |
| N02 | C01 | CL1 | 121.4° | 120.7° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H191 | N19 | H192 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C14 | C13 | C15 | 180.0° | 179.9° |
| BR1 | C14 | C13 | C12 | 180.0° | 179.9° |
| BR1 | C14 | C15 | C16 | 179.9° | 179.9° |
| BR1 | C14 | C13 | H131 | 0.0° | 0.2° |
| BR1 | C14 | C15 | H151 | 0.0° | 0.3° |
| C14 | C13 | C12 | H131 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | F1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.1° | 0.3° |
| C13 | C14 | C15 | H151 | 180.0° | 179.6° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.6° |
| C14 | C15 | C16 | C11 | 0.3° | 0.3° |
| C15 | C14 | C13 | H131 | 180.0° | 179.7° |
| C14 | C15 | C16 | H161 | 179.7° | 179.8° |
| C13 | C12 | F1 | C11 | 179.9° | 180.0° |
| C13 | C12 | C11 | C16 | 0.4° | 0.5° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C15 | C16 | C11 | C12 | 0.4° | 0.5° |
| C15 | C16 | C11 | H161 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 179.9° | 180.0° |
| F1 | C12 | C11 | C16 | 179.7° | 179.4° |
| F1 | C12 | C11 | C10 | 0.3° | 0.0° |
| F1 | C12 | C13 | H131 | 0.0° | 0.0° |
| C12 | C11 | C16 | C10 | 179.4° | 179.5° |
| C12 | C11 | C10 | N07 | 95.1° | 85.0° |
| C12 | C11 | C10 | H101 | 145.1° | 35.0° |
| C12 | C11 | C10 | H102 | 24.6° | 155.0° |
| C11 | C12 | C13 | H131 | 179.9° | 180.0° |
| C12 | C11 | C16 | H161 | 179.6° | 179.5° |
| C16 | C11 | C10 | N07 | 84.3° | 94.4° |
| C16 | C11 | C10 | H101 | 35.5° | 145.5° |
| C16 | C11 | C10 | H102 | 156.0° | 25.6° |
| C11 | C16 | C15 | H151 | 179.7° | 179.9° |
| C11 | C10 | N07 | H101 | 119.7° | 120.0° |
| C11 | C10 | N07 | H102 | 119.7° | 120.0° |
| C11 | C10 | N07 | C05 | 102.1° | 90.0° |
| C11 | C10 | N07 | N08 | 77.7° | 90.0° |
| C11 | C10 | H101 | H102 | 120.8° | 120.0° |
| C10 | C11 | C16 | H161 | 0.1° | 0.0° |
| C10 | N07 | C05 | N08 | 179.9° | 180.0° |
| C10 | N07 | C05 | N04 | 0.1° | 0.0° |
| C10 | N07 | C05 | C06 | 180.0° | 179.8° |
| C10 | N07 | N08 | C09 | 180.0° | 179.8° |
| N07 | C10 | H101 | H102 | 120.8° | 119.9° |
| N07 | C05 | N04 | C06 | 179.9° | 179.8° |
| N07 | C05 | N04 | C03 | 179.8° | 180.0° |
| C05 | N07 | N08 | C09 | 0.1° | 0.2° |
| N07 | C05 | C06 | C09 | 0.1° | 0.2° |
| N07 | C05 | C06 | C01 | 179.9° | 179.7° |
| C05 | N07 | C10 | H101 | 17.6° | 150.0° |
| C05 | N07 | C10 | H102 | 138.1° | 30.0° |
| N08 | N07 | C05 | N04 | 180.0° | 180.0° |
| N08 | N07 | C05 | C06 | 0.1° | 0.2° |
| N07 | N08 | C09 | C06 | 0.1° | 0.1° |
| N08 | N07 | C10 | H101 | 162.5° | 30.0° |
| N08 | N07 | C10 | H102 | 42.0° | 150.0° |
| N07 | N08 | C09 | H091 | 180.0° | 179.8° |
| C05 | N04 | C03 | N19 | 179.9° | 180.0° |
| C05 | N04 | C03 | N02 | 0.1° | 0.1° |
| N04 | C05 | C06 | C09 | 180.0° | 180.0° |
| N04 | C05 | C06 | C01 | 0.0° | 0.5° |
| N04 | C03 | N19 | N02 | 180.0° | 179.9° |
| C03 | N04 | C05 | C06 | 0.0° | 0.2° |
| N04 | C03 | N02 | C01 | 0.1° | 0.1° |
| N04 | C03 | N19 | H191 | 0.0° | 179.9° |
| N04 | C03 | N19 | H192 | 120.0° | 0.0° |
| N19 | C03 | N02 | C01 | 179.9° | 180.0° |
| C03 | N19 | H191 | H192 | 120.0° | 180.0° |
| C05 | C06 | C09 | N08 | 0.0° | 0.1° |
| C05 | C06 | C09 | C01 | 180.0° | 179.4° |
| C05 | C06 | C01 | N02 | 0.0° | 0.4° |
| C05 | C06 | C01 | CL1 | 180.0° | 179.8° |
| C05 | C06 | C09 | H091 | 180.0° | 180.0° |
| N08 | C09 | C06 | H091 | 180.0° | 179.9° |
| N08 | C09 | C06 | C01 | 179.9° | 179.5° |
| C03 | N02 | C01 | C06 | 0.1° | 0.1° |
| C03 | N02 | C01 | CL1 | 180.0° | 179.9° |
| N02 | C03 | N19 | H191 | 180.0° | 0.0° |
| N02 | C03 | N19 | H192 | 60.0° | 179.9° |
| C09 | C06 | C01 | N02 | 180.0° | 179.8° |
| C09 | C06 | C01 | CL1 | 0.1° | 0.4° |
| C06 | C01 | N02 | CL1 | 179.9° | 179.8° |
| C01 | C06 | C09 | H091 | 0.1° | 0.6° |
| H151 | C15 | C16 | H161 | 0.3° | 0.1° |
