W8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C2 | sing | 1.89Å | 1.89Å | |
| C1 | C2 | doub | 1.35Å | 1.39Å | |
| C1 | N | sing | 1.37Å | 1.33Å | |
| C | N | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.42Å | 1.38Å | |
| N | C4 | sing | 1.35Å | 1.41Å | |
| C3 | O1 | doub | 1.22Å | 1.21Å | |
| C3 | N1 | sing | 1.35Å | 1.38Å | |
| C4 | N1 | sing | 1.35Å | 1.40Å | |
| C4 | O | doub | 1.22Å | 1.18Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C2 | C1 | 115.1° | 120.5° |
| BR | C2 | C3 | 119.4° | 120.4° |
| C2 | C1 | N | 117.6° | 119.7° |
| C1 | C2 | C3 | 125.2° | 119.1° |
| C2 | C1 | H2 | 121.2° | 120.1° |
| C1 | N | C | 119.3° | 119.7° |
| C1 | N | C4 | 120.2° | 120.6° |
| N | C1 | H2 | 121.2° | 120.2° |
| C | N | C4 | 120.6° | 119.7° |
| N | C | H3 | 109.5° | 109.5° |
| N | C | H4 | 109.5° | 109.5° |
| N | C | H5 | 109.5° | 109.5° |
| C2 | C3 | O1 | 119.7° | 120.3° |
| C2 | C3 | N1 | 116.1° | 119.4° |
| N | C4 | N1 | 120.7° | 121.0° |
| N | C4 | O | 114.7° | 119.5° |
| O1 | C3 | N1 | 124.0° | 120.3° |
| C3 | N1 | C4 | 120.1° | 120.3° |
| C3 | N1 | H1 | 120.0° | 119.9° |
| N1 | C4 | O | 124.5° | 119.5° |
| C4 | N1 | H1 | 119.9° | 119.9° |
| H3 | C | H4 | 109.4° | 109.4° |
| H3 | C | H5 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C2 | C1 | C3 | 173.6° | 179.7° |
| BR | C2 | C1 | N | 177.1° | 180.0° |
| BR | C2 | C3 | O1 | 2.7° | 0.3° |
| BR | C2 | C3 | N1 | 177.0° | 179.7° |
| BR | C2 | C1 | H2 | 2.9° | 0.3° |
| C2 | C1 | N | H2 | 180.0° | 179.7° |
| C2 | C1 | N | C | 177.5° | 180.0° |
| C2 | C1 | N | C4 | 1.3° | 0.2° |
| C1 | C2 | C3 | O1 | 170.7° | 180.0° |
| C1 | C2 | C3 | N1 | 3.6° | 0.0° |
| C1 | N | C | C4 | 178.7° | 179.8° |
| N | C1 | C2 | C3 | 3.5° | 0.2° |
| C1 | N | C4 | N1 | 0.5° | 0.1° |
| C1 | N | C4 | O | 179.9° | 180.0° |
| C1 | N | C | H3 | 180.0° | 90.0° |
| C1 | N | C | H4 | 60.0° | 150.0° |
| C1 | N | C | H5 | 60.0° | 30.0° |
| C | N | C4 | N1 | 179.3° | 179.7° |
| C | N | C4 | O | 1.2° | 0.2° |
| C | N | C1 | H2 | 2.5° | 0.3° |
| N | C | H3 | H4 | 120.0° | 120.0° |
| N | C | H3 | H5 | 120.0° | 120.0° |
| N | C | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | O1 | N1 | 173.8° | 180.0° |
| C2 | C3 | N1 | C4 | 1.6° | 0.3° |
| C2 | C3 | N1 | H1 | 178.4° | 180.0° |
| C3 | C2 | C1 | H2 | 176.5° | 180.0° |
| N | C4 | N1 | C3 | 0.3° | 0.3° |
| N | C4 | N1 | O | 179.5° | 179.9° |
| N | C4 | N1 | H1 | 179.6° | 180.0° |
| C4 | N | C1 | H2 | 178.7° | 179.9° |
| C4 | N | C | H3 | 1.2° | 89.8° |
| C4 | N | C | H4 | 118.7° | 30.2° |
| C4 | N | C | H5 | 121.3° | 150.2° |
| O1 | C3 | N1 | C4 | 172.4° | 179.7° |
| O1 | C3 | N1 | H1 | 7.6° | 0.0° |
| C3 | N1 | C4 | H1 | 180.0° | 179.7° |
| C3 | N1 | C4 | O | 179.9° | 179.7° |
| O | C4 | N1 | H1 | 0.1° | 0.1° |
| H3 | C | H4 | H5 | 120.0° | 120.0° |
