A1ENE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C4 | sing | 1.74Å | 1.74Å | |
| CL1 | C3 | sing | 1.74Å | 1.74Å | |
| C4 | C3 | doub | 1.37Å | 1.38Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C3 | C2 | sing | 1.41Å | 1.40Å | |
| O1 | C5 | doub | 1.22Å | 1.24Å | |
| C5 | N1 | sing | 1.35Å | 1.38Å | |
| C2 | N2 | doub | 1.30Å | 1.31Å | |
| N1 | N2 | sing | 1.28Å | 1.36Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C4 | C3 | 119.6° | 121.1° |
| CL2 | C4 | C5 | 121.1° | 121.1° |
| CL1 | C3 | C4 | 119.4° | 120.9° |
| CL1 | C3 | C2 | 122.0° | 120.9° |
| C3 | C4 | C5 | 119.3° | 117.8° |
| C4 | C3 | C2 | 118.7° | 118.2° |
| C4 | C5 | O1 | 124.7° | 120.3° |
| C4 | C5 | N1 | 116.2° | 119.3° |
| C3 | C2 | N2 | 123.0° | 120.5° |
| C3 | C2 | H4 | 118.5° | 119.8° |
| O1 | C5 | N1 | 119.1° | 120.4° |
| C5 | N1 | N2 | 123.7° | 121.7° |
| C5 | N1 | C1 | 121.3° | 119.1° |
| C2 | N2 | N1 | 119.2° | 122.5° |
| N2 | C2 | H4 | 118.5° | 119.8° |
| N2 | N1 | C1 | 115.0° | 119.2° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.4° | 109.4° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C4 | C3 | CL1 | 0.6° | 0.2° |
| CL2 | C4 | C3 | C5 | 179.9° | 179.8° |
| CL2 | C4 | C3 | C2 | 179.9° | 180.0° |
| CL2 | C4 | C5 | O1 | 0.6° | 0.2° |
| CL2 | C4 | C5 | N1 | 179.8° | 179.7° |
| CL1 | C3 | C4 | C2 | 179.5° | 179.8° |
| CL1 | C3 | C4 | C5 | 179.5° | 180.0° |
| CL1 | C3 | C2 | N2 | 179.8° | 179.7° |
| CL1 | C3 | C2 | H4 | 0.2° | 0.3° |
| C3 | C4 | C5 | O1 | 179.5° | 180.0° |
| C3 | C4 | C5 | N1 | 0.0° | 0.0° |
| C4 | C3 | C2 | N2 | 0.3° | 0.5° |
| C4 | C3 | C2 | H4 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.2° |
| C4 | C5 | O1 | N1 | 179.5° | 179.9° |
| C4 | C5 | N1 | N2 | 0.3° | 0.0° |
| C4 | C5 | N1 | C1 | 179.5° | 179.7° |
| C3 | C2 | N2 | H4 | 180.0° | 179.4° |
| C3 | C2 | N2 | N1 | 0.6° | 0.6° |
| O1 | C5 | N1 | N2 | 179.8° | 180.0° |
| O1 | C5 | N1 | C1 | 0.9° | 0.2° |
| C5 | N1 | N2 | C2 | 0.6° | 0.3° |
| C5 | N1 | N2 | C1 | 179.3° | 179.7° |
| C5 | N1 | C1 | H1 | 179.3° | 179.7° |
| C5 | N1 | C1 | H2 | 60.7° | 60.2° |
| C5 | N1 | C1 | H3 | 59.3° | 59.8° |
| C2 | N2 | N1 | C1 | 179.9° | 180.0° |
| N2 | N1 | C1 | H1 | 0.0° | 0.0° |
| N2 | N1 | C1 | H2 | 120.0° | 120.0° |
| N2 | N1 | C1 | H3 | 120.0° | 120.0° |
| N1 | N2 | C2 | H4 | 179.4° | 180.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
