FLK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C2 | sing | 1.80Å | 1.78Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| N | N1 | sing | 1.40Å | 1.39Å | |
| N3 | C5 | sing | 1.47Å | 1.46Å | |
| N3 | C3 | doub | 1.33Å | 1.38Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N1 | C3 | sing | 1.37Å | 1.33Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| C3 | N2 | sing | 1.32Å | 1.32Å | |
| N2 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C2 | C1 | 110.3° | 109.4° |
| CL | C2 | H7 | 109.3° | 109.5° |
| CL | C2 | H8 | 109.3° | 109.5° |
| C2 | C1 | C | 109.2° | 109.5° |
| C1 | C2 | H7 | 109.2° | 109.5° |
| C1 | C2 | H8 | 109.2° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C1 | C | N | 115.4° | 120.0° |
| C1 | C | O | 122.0° | 120.0° |
| C | C1 | H9 | 109.5° | 109.4° |
| C | C1 | H10 | 109.5° | 109.5° |
| C | N | N1 | 119.5° | 120.0° |
| N | C | O | 122.6° | 120.0° |
| C | N | H11 | 120.2° | 120.0° |
| N | N1 | C3 | 119.3° | 120.0° |
| N1 | N | H11 | 120.3° | 120.0° |
| N | N1 | H12 | 120.4° | 120.0° |
| C5 | N3 | C3 | 109.6° | 109.2° |
| N3 | C5 | C4 | 102.9° | 103.4° |
| N3 | C5 | H3 | 111.1° | 110.6° |
| N3 | C5 | H4 | 111.1° | 110.7° |
| C5 | N3 | H6 | 125.2° | 125.4° |
| N3 | C3 | N1 | 124.9° | 122.7° |
| N3 | C3 | N2 | 110.8° | 114.6° |
| C3 | N3 | H6 | 125.2° | 125.5° |
| N1 | C3 | N2 | 124.3° | 122.8° |
| C3 | N1 | H12 | 120.3° | 120.0° |
| C5 | C4 | N2 | 102.9° | 103.6° |
| C5 | C4 | H1 | 111.1° | 110.6° |
| C5 | C4 | H2 | 111.1° | 110.6° |
| C4 | C5 | H3 | 111.1° | 110.6° |
| C4 | C5 | H4 | 111.1° | 110.6° |
| C3 | N2 | C4 | 111.2° | 109.2° |
| C3 | N2 | H5 | 124.4° | 125.4° |
| N2 | C4 | H1 | 111.1° | 110.6° |
| N2 | C4 | H2 | 111.1° | 110.6° |
| C4 | N2 | H5 | 124.3° | 125.4° |
| H1 | C4 | H2 | 109.5° | 110.6° |
| H3 | C5 | H4 | 109.5° | 110.6° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C2 | C1 | H7 | 120.2° | 120.0° |
| CL | C2 | C1 | H8 | 120.1° | 120.0° |
| CL | C2 | C1 | C | 176.3° | 180.0° |
| CL | C2 | H7 | H8 | 119.6° | 120.0° |
| CL | C2 | C1 | H9 | 56.4° | 60.0° |
| CL | C2 | C1 | H10 | 63.7° | 60.0° |
| C2 | C1 | C | H9 | 120.0° | 120.0° |
| C2 | C1 | C | H10 | 120.0° | 120.0° |
| C2 | C1 | C | N | 109.2° | 180.0° |
| C2 | C1 | C | O | 73.4° | 0.0° |
| C1 | C2 | H7 | H8 | 119.6° | 120.0° |
| C2 | C1 | H9 | H10 | 120.1° | 120.0° |
| C1 | C | N | O | 177.4° | 179.9° |
| C1 | C | N | N1 | 179.0° | 180.0° |
| C | C1 | C2 | H7 | 63.5° | 60.0° |
| C | C1 | C2 | H8 | 56.2° | 60.0° |
| C | C1 | H9 | H10 | 120.1° | 120.0° |
| C1 | C | N | H11 | 1.0° | 0.1° |
| C | N | N1 | H11 | 180.0° | 179.9° |
| C | N | N1 | C3 | 69.8° | 180.0° |
| N | C | C1 | H9 | 130.9° | 60.1° |
| N | C | C1 | H10 | 10.8° | 59.9° |
| C | N | N1 | H12 | 110.2° | 0.1° |
| N | N1 | C3 | N3 | 4.2° | 180.0° |
| N1 | N | C | O | 3.5° | 0.1° |
| N | N1 | C3 | H12 | 180.0° | 179.9° |
| N | N1 | C3 | N2 | 179.0° | 0.1° |
| C5 | N3 | C3 | H6 | 180.0° | 180.0° |
| C5 | N3 | C3 | N1 | 171.6° | 180.0° |
| N3 | C5 | C4 | H3 | 118.9° | 118.4° |
| N3 | C5 | C4 | H4 | 118.9° | 118.6° |
| C5 | N3 | C3 | N2 | 5.6° | 0.0° |
| N3 | C5 | C4 | N2 | 15.5° | 0.1° |
| N3 | C5 | C4 | H1 | 103.5° | 118.5° |
| N3 | C5 | C4 | H2 | 134.4° | 118.6° |
| N3 | C5 | H3 | H4 | 123.1° | 123.0° |
| N3 | C3 | N1 | N2 | 176.8° | 179.9° |
| C3 | N3 | C5 | C4 | 13.3° | 0.0° |
| N3 | C3 | N2 | C4 | 5.5° | 0.1° |
| C3 | N3 | C5 | H3 | 132.3° | 118.4° |
| C3 | N3 | C5 | H4 | 105.6° | 118.6° |
| N3 | C3 | N2 | H5 | 174.5° | 179.9° |
| N3 | C3 | N1 | H12 | 175.8° | 0.1° |
| O | C | C1 | H9 | 46.6° | 120.0° |
| O | C | C1 | H10 | 166.7° | 120.0° |
| O | C | N | H11 | 176.5° | 180.0° |
| N1 | C3 | N2 | C4 | 177.3° | 179.9° |
| N1 | C3 | N2 | H5 | 2.7° | 0.0° |
| C3 | N1 | N | H11 | 110.2° | 0.1° |
| N1 | C3 | N3 | H6 | 8.4° | 0.0° |
| C5 | C4 | N2 | C3 | 13.5° | 0.1° |
| C5 | C4 | N2 | H1 | 118.9° | 118.6° |
| C5 | C4 | N2 | H2 | 119.0° | 118.5° |
| C5 | C4 | H1 | H2 | 123.1° | 122.9° |
| C4 | C5 | H3 | H4 | 123.0° | 123.0° |
| C5 | C4 | N2 | H5 | 166.5° | 179.9° |
| C4 | C5 | N3 | H6 | 166.7° | 180.0° |
| C3 | N2 | C4 | H5 | 180.0° | 179.9° |
| C3 | N2 | C4 | H1 | 105.5° | 118.5° |
| C3 | N2 | C4 | H2 | 132.4° | 118.7° |
| N2 | C3 | N1 | H12 | 1.0° | 180.0° |
| N2 | C3 | N3 | H6 | 174.4° | 180.0° |
| N2 | C4 | H1 | H2 | 123.0° | 122.9° |
| N2 | C4 | C5 | H3 | 134.4° | 118.4° |
| N2 | C4 | C5 | H4 | 103.5° | 118.7° |
| H1 | C4 | C5 | H3 | 15.4° | 123.1° |
| H1 | C4 | C5 | H4 | 137.6° | 0.1° |
| H1 | C4 | N2 | H5 | 74.5° | 61.5° |
| H2 | C4 | C5 | H3 | 106.7° | 0.2° |
| H2 | C4 | C5 | H4 | 15.5° | 122.8° |
| H2 | C4 | N2 | H5 | 47.6° | 61.4° |
| H3 | C5 | N3 | H6 | 47.7° | 61.6° |
| H4 | C5 | N3 | H6 | 74.4° | 61.4° |
| H7 | C2 | C1 | H9 | 176.5° | 180.0° |
| H7 | C2 | C1 | H10 | 56.5° | 60.0° |
| H8 | C2 | C1 | H9 | 63.8° | 59.9° |
| H8 | C2 | C1 | H10 | 176.2° | 180.0° |
| H11 | N | N1 | H12 | 69.8° | 180.0° |
