A1ENK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N2 | sing | 1.28Å | 1.36Å | |
| N1 | C5 | doub | 1.31Å | 1.29Å | |
| N2 | C6 | sing | 1.35Å | 1.35Å | |
| CL1 | C5 | sing | 1.74Å | 1.73Å | |
| C5 | C4 | sing | 1.40Å | 1.38Å | |
| C6 | O3 | doub | 1.22Å | 1.23Å | |
| C6 | C3 | sing | 1.42Å | 1.44Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | |
| C3 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | O1 | sing | 1.35Å | 1.33Å | |
| C2 | O2 | doub | 1.22Å | 1.20Å | |
| O1 | C1 | sing | 1.45Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | C5 | 118.5° | 123.0° |
| N1 | N2 | C6 | 124.9° | 122.0° |
| N1 | N2 | H5 | 117.6° | 119.0° |
| N1 | C5 | CL1 | 117.2° | 119.7° |
| N1 | C5 | C4 | 122.6° | 120.6° |
| N2 | C6 | O3 | 119.0° | 120.5° |
| N2 | C6 | C3 | 116.6° | 119.1° |
| C6 | N2 | H5 | 117.6° | 119.0° |
| CL1 | C5 | C4 | 120.2° | 119.7° |
| C5 | C4 | C3 | 120.0° | 118.0° |
| C5 | C4 | H1 | 120.0° | 121.0° |
| O3 | C6 | C3 | 124.4° | 120.5° |
| C6 | C3 | C4 | 117.4° | 117.4° |
| C6 | C3 | C2 | 123.8° | 121.3° |
| C4 | C3 | C2 | 118.9° | 121.3° |
| C3 | C4 | H1 | 120.0° | 121.0° |
| C3 | C2 | O1 | 114.1° | 120.0° |
| C3 | C2 | O2 | 122.6° | 120.0° |
| O1 | C2 | O2 | 123.3° | 120.0° |
| C2 | O1 | C1 | 115.0° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H4 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.5° | 109.4° |
| H3 | C1 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | C6 | H5 | 180.0° | 179.9° |
| N2 | N1 | C5 | CL1 | 179.2° | 180.0° |
| N2 | N1 | C5 | C4 | 0.0° | 0.0° |
| N1 | N2 | C6 | O3 | 179.5° | 179.9° |
| N1 | N2 | C6 | C3 | 0.3° | 0.1° |
| C5 | N1 | N2 | C6 | 0.0° | 0.0° |
| N1 | C5 | CL1 | C4 | 179.2° | 180.0° |
| N1 | C5 | C4 | C3 | 0.4° | 0.0° |
| N1 | C5 | C4 | H1 | 179.6° | 179.9° |
| C5 | N1 | N2 | H5 | 180.0° | 179.9° |
| N2 | C6 | O3 | C3 | 179.8° | 179.8° |
| N2 | C6 | C3 | C4 | 0.7° | 0.1° |
| N2 | C6 | C3 | C2 | 179.9° | 179.9° |
| CL1 | C5 | C4 | C3 | 179.6° | 180.0° |
| CL1 | C5 | C4 | H1 | 0.4° | 0.1° |
| C5 | C4 | C3 | C6 | 0.7° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 180.0° | 179.9° |
| O3 | C6 | C3 | C4 | 179.1° | 179.9° |
| O3 | C6 | C3 | C2 | 0.1° | 0.0° |
| O3 | C6 | N2 | H5 | 0.5° | 0.2° |
| C6 | C3 | C4 | C2 | 179.3° | 180.0° |
| C6 | C3 | C2 | O1 | 9.6° | 0.0° |
| C6 | C3 | C2 | O2 | 172.3° | 180.0° |
| C6 | C3 | C4 | H1 | 179.3° | 179.9° |
| C3 | C6 | N2 | H5 | 179.7° | 180.0° |
| C4 | C3 | C2 | O1 | 171.2° | 180.0° |
| C4 | C3 | C2 | O2 | 6.9° | 0.0° |
| C3 | C2 | O1 | O2 | 178.2° | 180.0° |
| C3 | C2 | O1 | C1 | 167.0° | 180.0° |
| C2 | C3 | C4 | H1 | 0.0° | 0.0° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 59.9° |
| C2 | O1 | C1 | H4 | 60.0° | 180.0° |
| O2 | C2 | O1 | C1 | 11.2° | 0.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H4 | 120.0° | 120.0° |
| O1 | C1 | H3 | H4 | 120.0° | 120.1° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
