A1CW0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.26Å | |
| C1 | C2 | sing | 1.41Å | 1.45Å | |
| C2 | C3 | doub | 1.35Å | 1.38Å | |
| C3 | BR1 | sing | 1.89Å | 1.90Å | |
| C3 | N1 | sing | 1.36Å | 1.35Å | |
| N1 | C4 | sing | 1.36Å | 1.35Å | |
| C4 | C5 | doub | 1.35Å | 1.37Å | |
| C1 | C5 | sing | 1.42Å | 1.38Å | |
| C5 | CL1 | sing | 1.74Å | 1.73Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.1° | 120.7° |
| O1 | C1 | C5 | 121.5° | 120.7° |
| C1 | C2 | C3 | 119.1° | 119.2° |
| C2 | C1 | C5 | 119.4° | 118.7° |
| C1 | C2 | H1 | 120.5° | 120.4° |
| C2 | C3 | BR1 | 120.2° | 119.7° |
| C2 | C3 | N1 | 117.9° | 120.7° |
| C3 | C2 | H1 | 120.5° | 120.4° |
| BR1 | C3 | N1 | 121.8° | 119.7° |
| C3 | N1 | C4 | 124.6° | 121.4° |
| C3 | N1 | H2 | 117.8° | 119.3° |
| N1 | C4 | C5 | 119.6° | 120.7° |
| N1 | C4 | H3 | 120.2° | 119.7° |
| C4 | N1 | H2 | 117.7° | 119.3° |
| C4 | C5 | C1 | 119.5° | 119.3° |
| C4 | C5 | CL1 | 121.2° | 120.4° |
| C5 | C4 | H3 | 120.2° | 119.6° |
| C1 | C5 | CL1 | 119.3° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C5 | 179.9° | 179.7° |
| O1 | C1 | C2 | C3 | 180.0° | 179.7° |
| O1 | C1 | C5 | C4 | 179.9° | 179.7° |
| O1 | C1 | C5 | CL1 | 0.1° | 0.2° |
| O1 | C1 | C2 | H1 | 0.0° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | BR1 | 180.0° | 180.0° |
| C1 | C2 | C3 | N1 | 0.1° | 0.0° |
| C2 | C1 | C5 | C4 | 0.0° | 0.0° |
| C2 | C1 | C5 | CL1 | 180.0° | 179.9° |
| C2 | C3 | BR1 | N1 | 179.9° | 180.0° |
| C2 | C3 | N1 | C4 | 0.1° | 0.0° |
| C3 | C2 | C1 | C5 | 0.1° | 0.0° |
| C2 | C3 | N1 | H2 | 180.0° | 180.0° |
| BR1 | C3 | N1 | C4 | 180.0° | 180.0° |
| BR1 | C3 | C2 | H1 | 0.0° | 0.0° |
| BR1 | C3 | N1 | H2 | 0.1° | 0.0° |
| C3 | N1 | C4 | H2 | 180.0° | 180.0° |
| C3 | N1 | C4 | C5 | 0.0° | 0.0° |
| N1 | C3 | C2 | H1 | 179.9° | 180.0° |
| C3 | N1 | C4 | H3 | 180.0° | 180.0° |
| N1 | C4 | C5 | H3 | 180.0° | 180.0° |
| N1 | C4 | C5 | C1 | 0.0° | 0.1° |
| N1 | C4 | C5 | CL1 | 180.0° | 180.0° |
| C4 | C5 | C1 | CL1 | 180.0° | 179.9° |
| C5 | C4 | N1 | H2 | 180.0° | 180.0° |
| C5 | C1 | C2 | H1 | 179.9° | 180.0° |
| C1 | C5 | C4 | H3 | 180.0° | 180.0° |
| CL1 | C5 | C4 | H3 | 0.0° | 0.1° |
| H3 | C4 | N1 | H2 | 0.0° | 0.0° |
