A1ENG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 0.00Å | |
| F2 | C1 | sing | 1.40Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C1 | F3 | sing | 1.40Å | 0.00Å | |
| C4 | C2 | sing | 1.51Å | 0.00Å | |
| C4 | C3 | sing | 1.52Å | 0.00Å | |
| C2 | N1 | doub | 1.28Å | 0.00Å | |
| C3 | O1 | doub | 1.21Å | 0.00Å | |
| C3 | N2 | sing | 1.35Å | 0.00Å | |
| N1 | N2 | sing | 1.39Å | 0.00Å | |
| C4 | H1 | sing | 1.09Å | 0.00Å | |
| C4 | H2 | sing | 1.09Å | 0.00Å | |
| N2 | H3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 90.0° | 109.5° |
| F1 | C1 | C2 | 90.0° | 109.5° |
| F1 | C1 | F3 | 90.0° | 109.5° |
| F2 | C1 | C2 | 90.0° | 109.5° |
| F2 | C1 | F3 | 90.0° | 109.4° |
| C2 | C1 | F3 | 90.0° | 109.5° |
| C1 | C2 | C4 | 90.0° | 126.4° |
| C1 | C2 | N1 | 90.0° | 126.4° |
| C2 | C4 | C3 | 90.0° | 103.5° |
| C4 | C2 | N1 | 90.0° | 107.2° |
| C2 | C4 | H1 | 90.0° | 110.6° |
| C2 | C4 | H2 | 90.0° | 110.6° |
| C4 | C3 | O1 | 90.0° | 127.5° |
| C4 | C3 | N2 | 90.0° | 105.0° |
| C3 | C4 | H1 | 90.0° | 110.6° |
| C3 | C4 | H2 | 90.0° | 110.6° |
| C2 | N1 | N2 | 90.0° | 113.2° |
| O1 | C3 | N2 | 90.0° | 127.5° |
| C3 | N2 | N1 | 90.0° | 111.1° |
| C3 | N2 | H3 | 90.0° | 124.4° |
| N1 | N2 | H3 | 90.0° | 124.5° |
| H1 | C4 | H2 | 90.0° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | C2 | 90.0° | 120.0° |
| F1 | C1 | F2 | F3 | 90.0° | 120.0° |
| F1 | C1 | C2 | F3 | 90.0° | 120.0° |
| F1 | C1 | C2 | C4 | 90.0° | 60.0° |
| F1 | C1 | C2 | N1 | 90.0° | 120.0° |
| F2 | C1 | C2 | F3 | 90.0° | 120.0° |
| F2 | C1 | C2 | C4 | 90.0° | 60.0° |
| F2 | C1 | C2 | N1 | 90.0° | 120.0° |
| C1 | C2 | C4 | N1 | 90.0° | 180.0° |
| C1 | C2 | C4 | C3 | 90.0° | 180.0° |
| C1 | C2 | N1 | N2 | 90.0° | 180.0° |
| C1 | C2 | C4 | H1 | 90.0° | 61.5° |
| C1 | C2 | C4 | H2 | 90.0° | 61.5° |
| F3 | C1 | C2 | C4 | 90.0° | 180.0° |
| F3 | C1 | C2 | N1 | 90.0° | 0.0° |
| C2 | C4 | C3 | H1 | 90.0° | 118.5° |
| C2 | C4 | C3 | H2 | 90.0° | 118.5° |
| C2 | C4 | C3 | O1 | 90.0° | 180.0° |
| C2 | C4 | C3 | N2 | 90.0° | 0.0° |
| C4 | C2 | N1 | N2 | 90.0° | 0.0° |
| C2 | C4 | H1 | H2 | 90.0° | 122.9° |
| C3 | C4 | C2 | N1 | 90.0° | 0.0° |
| C4 | C3 | O1 | N2 | 90.0° | 180.0° |
| C4 | C3 | N2 | N1 | 90.0° | 0.0° |
| C3 | C4 | H1 | H2 | 90.0° | 122.9° |
| C4 | C3 | N2 | H3 | 90.0° | 180.0° |
| C2 | N1 | N2 | C3 | 90.0° | 0.0° |
| N1 | C2 | C4 | H1 | 90.0° | 118.5° |
| N1 | C2 | C4 | H2 | 90.0° | 118.5° |
| C2 | N1 | N2 | H3 | 90.0° | 180.0° |
| O1 | C3 | N2 | N1 | 90.0° | 180.0° |
| O1 | C3 | C4 | H1 | 90.0° | 61.5° |
| O1 | C3 | C4 | H2 | 90.0° | 61.5° |
| O1 | C3 | N2 | H3 | 90.0° | 0.0° |
| C3 | N2 | N1 | H3 | 90.0° | 180.0° |
| N2 | C3 | C4 | H1 | 90.0° | 118.5° |
| N2 | C3 | C4 | H2 | 90.0° | 118.5° |
