WOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL08 | C05 | sing | 1.74Å | 1.75Å | |
| O11 | C09 | doub | 1.21Å | 1.24Å | |
| CL07 | C06 | sing | 1.74Å | 1.75Å | |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | N04 | sing | 1.32Å | 1.30Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.36Å | Aromatic |
| N04 | C03 | doub | 1.33Å | 1.31Å | Aromatic |
| C01 | N13 | sing | 1.39Å | 1.44Å | |
| C01 | C02 | doub | 1.40Å | 1.36Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.37Å | Aromatic |
| C03 | C09 | sing | 1.48Å | 1.50Å | |
| C02 | CL12 | sing | 1.74Å | 1.76Å | |
| C09 | O10 | sing | 1.35Å | 1.27Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N13 | H132 | sing | 0.97Å | 1.00Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL08 | C05 | C06 | 120.5° | 119.5° |
| CL08 | C05 | N04 | 115.3° | 119.5° |
| O11 | C09 | C03 | 121.4° | 120.0° |
| O11 | C09 | O10 | 125.0° | 120.0° |
| CL07 | C06 | C05 | 121.7° | 120.3° |
| CL07 | C06 | C01 | 119.2° | 120.4° |
| C06 | C05 | N04 | 124.2° | 121.0° |
| C05 | C06 | C01 | 119.1° | 119.2° |
| C05 | N04 | C03 | 116.8° | 121.8° |
| C06 | C01 | N13 | 121.6° | 120.8° |
| C06 | C01 | C02 | 116.6° | 118.4° |
| N04 | C03 | C02 | 122.6° | 120.7° |
| N04 | C03 | C09 | 119.2° | 119.7° |
| N13 | C01 | C02 | 121.7° | 120.8° |
| C01 | N13 | H131 | 109.5° | 120.0° |
| C01 | N13 | H132 | 109.5° | 120.1° |
| C01 | C02 | C03 | 120.6° | 118.9° |
| C01 | C02 | CL12 | 117.3° | 120.5° |
| C02 | C03 | C09 | 118.1° | 119.6° |
| C03 | C02 | CL12 | 122.1° | 120.5° |
| C03 | C09 | O10 | 113.5° | 120.0° |
| C09 | O10 | H1 | 109.5° | 117.0° |
| H131 | N13 | H132 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL08 | C05 | C06 | CL07 | 4.0° | 0.0° |
| CL08 | C05 | C06 | N04 | 178.5° | 180.0° |
| CL08 | C05 | C06 | C01 | 178.9° | 179.9° |
| CL08 | C05 | N04 | C03 | 180.0° | 179.7° |
| O11 | C09 | C03 | N04 | 69.0° | 180.0° |
| O11 | C09 | C03 | C02 | 114.3° | 0.1° |
| O11 | C09 | C03 | O10 | 177.1° | 179.9° |
| O11 | C09 | O10 | H1 | 0.0° | 0.0° |
| CL07 | C06 | C05 | C01 | 177.1° | 179.9° |
| CL07 | C06 | C05 | N04 | 177.5° | 180.0° |
| CL07 | C06 | C01 | N13 | 3.5° | 0.1° |
| CL07 | C06 | C01 | C02 | 175.8° | 179.7° |
| C06 | C05 | N04 | C03 | 1.4° | 0.3° |
| C05 | C06 | C01 | N13 | 179.3° | 180.0° |
| C05 | C06 | C01 | C02 | 1.4° | 0.2° |
| N04 | C05 | C06 | C01 | 0.4° | 0.1° |
| C05 | N04 | C03 | C02 | 0.7° | 0.3° |
| C05 | N04 | C03 | C09 | 175.9° | 179.8° |
| C06 | C01 | N13 | C02 | 179.3° | 179.8° |
| C06 | C01 | C02 | C03 | 2.0° | 0.2° |
| C06 | C01 | C02 | CL12 | 179.1° | 179.8° |
| C06 | C01 | N13 | H131 | 180.0° | 179.7° |
| C06 | C01 | N13 | H132 | 60.0° | 0.2° |
| N04 | C03 | C02 | C01 | 1.1° | 0.1° |
| N04 | C03 | C02 | C09 | 176.6° | 179.9° |
| N04 | C03 | C02 | CL12 | 179.8° | 180.0° |
| N04 | C03 | C09 | O10 | 108.1° | 0.1° |
| N13 | C01 | C02 | C03 | 178.7° | 180.0° |
| N13 | C01 | C02 | CL12 | 0.2° | 0.1° |
| C01 | N13 | H131 | H132 | 120.0° | 179.9° |
| C01 | C02 | C03 | CL12 | 178.8° | 179.9° |
| C01 | C02 | C03 | C09 | 177.7° | 180.0° |
| C02 | C01 | N13 | H131 | 0.7° | 0.1° |
| C02 | C01 | N13 | H132 | 119.3° | 180.0° |
| C02 | C03 | C09 | O10 | 68.6° | 180.0° |
| C09 | C03 | C02 | CL12 | 3.5° | 0.1° |
| C03 | C09 | O10 | H1 | 177.0° | 180.0° |
