W0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C5 | sing | 1.74Å | 1.74Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O | sing | 1.36Å | 1.38Å | |
| O | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C1 | C8 | sing | 1.51Å | 1.52Å | |
| N | C8 | sing | 1.35Å | 1.32Å | |
| C8 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C5 | C6 | 119.2° | 119.9° |
| CL | C5 | C4 | 119.1° | 120.0° |
| C5 | C6 | C7 | 119.3° | 120.0° |
| C6 | C5 | C4 | 121.4° | 120.1° |
| C5 | C6 | H2 | 120.4° | 120.0° |
| C6 | C7 | C2 | 119.8° | 120.0° |
| C7 | C6 | H2 | 120.4° | 119.9° |
| C6 | C7 | H3 | 120.1° | 120.1° |
| C5 | C4 | C3 | 119.2° | 120.0° |
| C5 | C4 | H1 | 120.4° | 119.9° |
| C7 | C2 | C3 | 120.3° | 119.8° |
| C7 | C2 | O | 118.1° | 120.1° |
| C2 | C7 | H3 | 120.1° | 120.0° |
| C4 | C3 | C2 | 119.8° | 120.0° |
| C3 | C4 | H1 | 120.4° | 120.0° |
| C4 | C3 | H10 | 120.1° | 120.0° |
| C3 | C2 | O | 121.5° | 120.1° |
| C2 | C3 | H10 | 120.1° | 120.0° |
| C2 | O | C1 | 118.4° | 117.0° |
| O | C1 | C | 106.3° | 109.5° |
| O | C1 | C8 | 107.6° | 109.5° |
| O | C1 | H6 | 111.6° | 109.4° |
| C | C1 | C8 | 110.6° | 109.5° |
| C | C1 | H6 | 110.4° | 109.5° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.4° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C8 | N | 117.3° | 120.0° |
| C1 | C8 | O1 | 119.3° | 120.0° |
| C8 | C1 | H6 | 110.2° | 109.5° |
| N | C8 | O1 | 123.4° | 120.0° |
| C8 | N | H4 | 120.0° | 120.0° |
| C8 | N | H5 | 120.0° | 120.0° |
| H4 | N | H5 | 120.0° | 119.9° |
| H7 | C | H8 | 109.5° | 109.4° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C5 | C6 | C4 | 173.7° | 179.9° |
| CL | C5 | C6 | C7 | 169.8° | 180.0° |
| CL | C5 | C4 | C3 | 169.5° | 180.0° |
| CL | C5 | C4 | H1 | 10.5° | 0.4° |
| CL | C5 | C6 | H2 | 10.2° | 0.1° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.3° | 0.0° |
| C6 | C5 | C4 | C3 | 4.1° | 0.1° |
| C6 | C5 | C4 | H1 | 175.9° | 179.7° |
| C5 | C6 | C7 | H3 | 179.7° | 180.0° |
| C7 | C6 | C5 | C4 | 3.9° | 0.0° |
| C6 | C7 | C2 | H3 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 2.9° | 0.0° |
| C6 | C7 | C2 | O | 174.7° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.6° |
| C5 | C4 | C3 | C2 | 0.8° | 0.1° |
| C4 | C5 | C6 | H2 | 176.1° | 180.0° |
| C5 | C4 | C3 | H10 | 179.2° | 179.7° |
| C7 | C2 | C3 | C4 | 2.6° | 0.0° |
| C7 | C2 | C3 | O | 177.6° | 180.0° |
| C7 | C2 | O | C1 | 121.5° | 5.3° |
| C2 | C7 | C6 | H2 | 179.7° | 179.9° |
| C7 | C2 | C3 | H10 | 177.4° | 179.7° |
| C4 | C3 | C2 | H10 | 180.0° | 179.7° |
| C4 | C3 | C2 | O | 174.9° | 180.0° |
| C3 | C2 | O | C1 | 56.1° | 174.6° |
| C2 | C3 | C4 | H1 | 179.2° | 179.7° |
| C3 | C2 | C7 | H3 | 177.1° | 180.0° |
| C2 | O | C1 | C | 149.5° | 84.8° |
| C2 | O | C1 | C8 | 91.9° | 155.2° |
| O | C2 | C7 | H3 | 5.3° | 0.0° |
| C2 | O | C1 | H6 | 29.1° | 35.2° |
| O | C2 | C3 | H10 | 5.1° | 0.2° |
| O | C1 | C | C8 | 116.6° | 120.0° |
| O | C1 | C | H6 | 121.2° | 120.0° |
| O | C1 | C8 | H6 | 121.9° | 120.0° |
| O | C1 | C8 | N | 29.3° | 175.0° |
| O | C1 | C8 | O1 | 149.7° | 5.0° |
| O | C1 | C | H7 | 180.0° | 60.0° |
| O | C1 | C | H8 | 60.0° | 180.0° |
| O | C1 | C | H9 | 60.0° | 60.0° |
| C | C1 | C8 | H6 | 122.3° | 120.0° |
| C | C1 | C8 | N | 86.4° | 65.0° |
| C | C1 | C8 | O1 | 94.6° | 115.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C8 | N | O1 | 179.0° | 180.0° |
| C1 | C8 | N | H4 | 179.0° | 179.9° |
| C1 | C8 | N | H5 | 1.0° | 0.0° |
| C8 | C1 | C | H7 | 63.4° | 180.0° |
| C8 | C1 | C | H8 | 56.6° | 60.0° |
| C8 | C1 | C | H9 | 176.5° | 60.0° |
| C8 | N | H4 | H5 | 180.0° | 180.0° |
| N | C8 | C1 | H6 | 151.3° | 55.0° |
| O1 | C8 | N | H4 | 0.0° | 0.0° |
| O1 | C8 | N | H5 | 180.0° | 180.0° |
| O1 | C8 | C1 | H6 | 27.7° | 125.0° |
| H1 | C4 | C3 | H10 | 0.8° | 0.1° |
| H2 | C6 | C7 | H3 | 0.3° | 0.0° |
| H6 | C1 | C | H7 | 58.8° | 60.0° |
| H6 | C1 | C | H8 | 178.8° | 60.0° |
| H6 | C1 | C | H9 | 61.3° | 180.0° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
