3FK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O17 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C22 | N21 | sing | 1.47Å | 1.50Å | |
| N21 | C8 | sing | 1.47Å | 1.50Å | |
| N21 | C23 | sing | 1.47Å | 1.50Å | |
| CL2 | C13 | sing | 1.74Å | 1.76Å | |
| C14 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | CL1 | sing | 1.74Å | 1.74Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.08Å | 1.08Å | |
| C7 | OXT | sing | 1.34Å | 46.10Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C7 | C8 | 115.7° | 120.1° |
| O17 | C7 | OXT | 50.9° | 120.0° |
| C7 | C8 | N21 | 115.3° | 109.5° |
| C7 | C8 | C9 | 102.3° | 109.5° |
| C7 | C8 | H25 | 108.2° | 109.5° |
| C8 | C7 | OXT | 111.0° | 120.0° |
| C22 | N21 | C8 | 112.2° | 111.0° |
| C22 | N21 | C23 | 108.3° | 111.0° |
| N21 | C22 | H12 | 109.5° | 109.4° |
| N21 | C22 | H13 | 109.5° | 109.5° |
| N21 | C22 | H14 | 109.4° | 109.5° |
| C8 | N21 | C23 | 115.4° | 111.0° |
| N21 | C8 | C9 | 114.2° | 109.5° |
| N21 | C8 | H25 | 108.4° | 109.5° |
| N21 | C23 | H15 | 109.5° | 109.4° |
| N21 | C23 | H16 | 109.5° | 109.5° |
| N21 | C23 | H17 | 109.5° | 109.5° |
| CL2 | C13 | C14 | 120.7° | 120.0° |
| CL2 | C13 | C12 | 119.6° | 120.0° |
| C13 | C14 | C9 | 120.3° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C13 | C14 | H3 | 119.9° | 120.0° |
| C14 | C9 | C8 | 125.8° | 120.0° |
| C14 | C9 | C10 | 119.1° | 120.0° |
| C9 | C14 | H3 | 119.8° | 120.0° |
| C8 | C9 | C10 | 115.0° | 120.0° |
| C9 | C8 | H25 | 108.0° | 109.5° |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C13 | C12 | H2 | 120.2° | 120.0° |
| C9 | C10 | C11 | 120.9° | 120.0° |
| C9 | C10 | H26 | 119.5° | 120.0° |
| C12 | C11 | C10 | 120.5° | 120.0° |
| C12 | C11 | CL1 | 122.8° | 120.1° |
| C11 | C12 | H2 | 120.3° | 120.0° |
| C10 | C11 | CL1 | 116.6° | 120.0° |
| C11 | C10 | H26 | 119.5° | 120.0° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H12 | C22 | H14 | 109.4° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.4° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| C7 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C7 | C8 | OXT | 55.6° | 179.9° |
| O17 | C7 | C8 | N21 | 143.2° | 26.0° |
| O17 | C7 | C8 | C9 | 92.3° | 94.0° |
| O17 | C7 | C8 | H25 | 21.6° | 146.0° |
| O17 | C7 | OXT | HXT | 90.0° | 0.1° |
| C7 | C8 | N21 | C22 | 68.8° | 61.3° |
| C7 | C8 | N21 | C9 | 118.1° | 120.0° |
| C7 | C8 | N21 | H25 | 121.5° | 120.0° |
| C7 | C8 | N21 | C23 | 166.4° | 174.6° |
| C7 | C8 | C9 | C14 | 85.7° | 106.4° |
| C7 | C8 | C9 | H25 | 114.0° | 120.0° |
| C7 | C8 | C9 | C10 | 94.5° | 73.8° |
| C8 | C7 | OXT | HXT | 90.0° | 180.0° |
| C22 | N21 | C8 | C23 | 124.7° | 124.0° |
| C22 | N21 | C8 | C9 | 173.1° | 178.6° |
| N21 | C22 | H12 | H13 | 120.0° | 120.1° |
| N21 | C22 | H12 | H14 | 120.0° | 120.0° |
| N21 | C22 | H13 | H14 | 120.0° | 120.0° |
| C22 | N21 | C23 | H15 | 180.0° | 65.1° |
| C22 | N21 | C23 | H16 | 60.0° | 174.9° |
| C22 | N21 | C23 | H17 | 60.0° | 54.8° |
| C22 | N21 | C8 | H25 | 52.6° | 58.6° |
| N21 | C8 | C9 | C14 | 39.5° | 133.6° |
| N21 | C8 | C9 | H25 | 120.7° | 120.0° |
| N21 | C8 | C9 | C10 | 140.2° | 46.2° |
| C8 | N21 | C22 | H12 | 180.0° | 60.0° |
| C8 | N21 | C22 | H13 | 60.0° | 179.9° |
| C8 | N21 | C22 | H14 | 60.0° | 59.9° |
| C8 | N21 | C23 | H15 | 53.3° | 58.9° |
| C8 | N21 | C23 | H16 | 173.2° | 61.1° |
| C8 | N21 | C23 | H17 | 66.7° | 178.9° |
| N21 | C8 | C7 | OXT | 161.2° | 154.1° |
| C23 | N21 | C8 | C9 | 48.3° | 54.6° |
| C23 | N21 | C22 | H12 | 51.4° | 64.0° |
| C23 | N21 | C22 | H13 | 171.4° | 56.0° |
| C23 | N21 | C22 | H14 | 68.6° | 176.0° |
| N21 | C23 | H15 | H16 | 120.0° | 120.0° |
| N21 | C23 | H15 | H17 | 120.0° | 119.9° |
| N21 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | N21 | C8 | H25 | 72.1° | 65.4° |
| CL2 | C13 | C14 | C12 | 178.4° | 179.9° |
| CL2 | C13 | C14 | C9 | 178.0° | 180.0° |
| CL2 | C13 | C12 | C11 | 178.0° | 180.0° |
| CL2 | C13 | C12 | H2 | 2.0° | 0.0° |
| CL2 | C13 | C14 | H3 | 2.0° | 0.0° |
| C13 | C14 | C9 | H3 | 180.0° | 180.0° |
| C13 | C14 | C9 | C8 | 179.4° | 180.0° |
| C13 | C14 | C9 | C10 | 0.4° | 0.2° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C14 | C13 | C12 | H2 | 179.6° | 180.0° |
| C14 | C9 | C8 | C10 | 179.8° | 179.8° |
| C9 | C14 | C13 | C12 | 0.4° | 0.0° |
| C14 | C9 | C10 | C11 | 0.4° | 0.4° |
| C14 | C9 | C8 | H25 | 160.2° | 13.6° |
| C14 | C9 | C10 | H26 | 179.6° | 180.0° |
| C8 | C9 | C10 | C11 | 179.4° | 179.8° |
| C8 | C9 | C14 | H3 | 0.6° | 0.0° |
| C8 | C9 | C10 | H26 | 0.6° | 0.2° |
| C9 | C8 | C7 | OXT | 36.7° | 85.9° |
| C13 | C12 | C11 | H2 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.2° |
| C13 | C12 | C11 | CL1 | 177.4° | 180.0° |
| C12 | C13 | C14 | H3 | 179.6° | 179.9° |
| C9 | C10 | C11 | C12 | 0.4° | 0.4° |
| C9 | C10 | C11 | H26 | 180.0° | 179.6° |
| C9 | C10 | C11 | CL1 | 177.6° | 179.8° |
| C10 | C9 | C14 | H3 | 179.6° | 179.8° |
| C10 | C9 | C8 | H25 | 19.5° | 166.2° |
| C12 | C11 | C10 | CL1 | 177.1° | 179.8° |
| C12 | C11 | C10 | H26 | 179.6° | 180.0° |
| C10 | C11 | C12 | H2 | 179.6° | 179.8° |
| CL1 | C11 | C12 | H2 | 2.6° | 0.0° |
| CL1 | C11 | C10 | H26 | 2.5° | 0.2° |
| H12 | C22 | H13 | H14 | 120.0° | 120.0° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H25 | C8 | C7 | OXT | 77.2° | 34.1° |
