GW9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C9 | sing | 1.74Å | 1.80Å | |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.45Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | N2 | sing | 1.48Å | 1.43Å | |
| C12 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| N2 | O3 | sing | 1.22Å | 1.23Å | |
| N2 | O2 | doub | 1.22Å | 1.23Å | |
| C13 | C8 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | C1 | sing | 1.48Å | 1.54Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C2 | sing | 1.40Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | C7 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.45Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C9 | C10 | 118.0° | 120.1° |
| CL | C9 | C8 | 121.4° | 120.1° |
| C10 | C9 | C8 | 120.6° | 119.8° |
| C9 | C10 | C11 | 122.2° | 120.2° |
| C9 | C10 | H10 | 118.9° | 119.9° |
| C9 | C8 | C13 | 115.8° | 119.7° |
| C9 | C8 | C1 | 134.3° | 120.2° |
| C11 | C10 | H10 | 118.9° | 119.9° |
| C10 | C11 | C12 | 118.7° | 120.3° |
| C10 | C11 | H11 | 120.6° | 119.9° |
| C12 | C11 | H11 | 120.7° | 119.8° |
| C11 | C12 | N2 | 121.5° | 120.0° |
| C11 | C12 | C13 | 119.5° | 120.2° |
| N2 | C12 | C13 | 119.0° | 119.9° |
| C12 | N2 | O3 | 119.6° | 120.0° |
| C12 | N2 | O2 | 121.4° | 120.0° |
| C12 | C13 | C8 | 123.2° | 119.9° |
| C12 | C13 | H13 | 118.4° | 120.1° |
| O3 | N2 | O2 | 119.0° | 120.0° |
| C8 | C13 | H13 | 118.4° | 120.0° |
| C13 | C8 | C1 | 109.8° | 120.1° |
| C8 | C1 | O1 | 117.7° | 120.0° |
| C8 | C1 | N1 | 122.4° | 120.0° |
| O1 | C1 | N1 | 119.6° | 120.0° |
| C1 | N1 | C2 | 131.8° | 120.0° |
| C1 | N1 | HN1 | 114.1° | 120.0° |
| C2 | N1 | HN1 | 114.1° | 120.0° |
| N1 | C2 | C7 | 116.7° | 120.1° |
| N1 | C2 | C3 | 127.4° | 120.0° |
| C7 | C2 | C3 | 115.9° | 119.9° |
| C2 | C7 | C6 | 122.0° | 119.9° |
| C2 | C7 | H7 | 119.0° | 120.0° |
| C2 | C3 | C4 | 122.3° | 119.9° |
| C2 | C3 | H3 | 118.9° | 120.1° |
| C6 | C7 | H7 | 119.0° | 120.1° |
| C7 | C6 | C5 | 120.5° | 120.1° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C5 | C6 | H6 | 119.8° | 119.9° |
| C6 | C5 | C4 | 119.5° | 120.1° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C4 | C5 | H5 | 120.2° | 119.9° |
| C5 | C4 | C3 | 119.8° | 120.1° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C3 | C4 | H4 | 120.1° | 119.9° |
| C4 | C3 | H3 | 118.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C9 | C10 | C8 | 179.5° | 179.7° |
| CL | C9 | C10 | C11 | 179.8° | 180.0° |
| CL | C9 | C10 | H10 | 0.2° | 0.0° |
| CL | C9 | C8 | C13 | 179.8° | 179.9° |
| CL | C9 | C8 | C1 | 0.2° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C9 | C8 | C13 | 0.4° | 0.4° |
| C10 | C9 | C8 | C1 | 179.3° | 179.8° |
| C8 | C9 | C10 | C11 | 0.3° | 0.3° |
| C8 | C9 | C10 | H10 | 179.7° | 179.7° |
| C9 | C8 | C13 | C12 | 0.4° | 0.4° |
| C9 | C8 | C13 | C1 | 179.7° | 179.8° |
| C9 | C8 | C13 | H13 | 179.7° | 179.7° |
| C9 | C8 | C1 | O1 | 32.7° | 0.0° |
| C9 | C8 | C1 | N1 | 153.3° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | N2 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| H10 | C10 | C11 | C12 | 179.8° | 179.9° |
| H10 | C10 | C11 | H11 | 0.2° | 0.1° |
| C11 | C12 | N2 | C13 | 179.6° | 180.0° |
| C11 | C12 | N2 | O3 | 179.8° | 0.1° |
| C11 | C12 | N2 | O2 | 0.3° | 180.0° |
| C11 | C12 | C13 | C8 | 0.3° | 0.2° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| H11 | C11 | C12 | N2 | 0.1° | 0.0° |
| H11 | C11 | C12 | C13 | 179.8° | 180.0° |
| C12 | N2 | O3 | O2 | 179.9° | 180.0° |
| N2 | C12 | C13 | C8 | 180.0° | 179.8° |
| N2 | C12 | C13 | H13 | 0.1° | 0.0° |
| C13 | C12 | N2 | O3 | 0.2° | 179.9° |
| C13 | C12 | N2 | O2 | 179.9° | 0.0° |
| C12 | C13 | C8 | H13 | 180.0° | 179.9° |
| C12 | C13 | C8 | C1 | 179.4° | 179.8° |
| C13 | C8 | C1 | O1 | 146.9° | 179.8° |
| C13 | C8 | C1 | N1 | 27.0° | 0.2° |
| H13 | C13 | C8 | C1 | 0.6° | 0.1° |
| C8 | C1 | O1 | N1 | 174.2° | 180.0° |
| C8 | C1 | N1 | C2 | 172.0° | 175.4° |
| C8 | C1 | N1 | HN1 | 8.0° | 4.7° |
| O1 | C1 | N1 | C2 | 1.9° | 4.6° |
| O1 | C1 | N1 | HN1 | 178.1° | 175.3° |
| C1 | N1 | C2 | HN1 | 180.0° | 179.9° |
| C1 | N1 | C2 | C7 | 179.9° | 35.0° |
| C1 | N1 | C2 | C3 | 0.4° | 145.2° |
| N1 | C2 | C7 | C3 | 179.6° | 179.7° |
| N1 | C2 | C7 | C6 | 179.6° | 180.0° |
| N1 | C2 | C7 | H7 | 0.4° | 0.0° |
| N1 | C2 | C3 | C4 | 179.6° | 179.7° |
| N1 | C2 | C3 | H3 | 0.4° | 0.0° |
| HN1 | N1 | C2 | C7 | 0.1° | 144.8° |
| HN1 | N1 | C2 | C3 | 179.6° | 34.9° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.0° | 0.0° |
| C2 | C7 | C6 | H6 | 180.0° | 180.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.5° |
| C7 | C2 | C3 | H3 | 179.9° | 179.7° |
| C3 | C2 | C7 | C6 | 0.0° | 0.3° |
| C3 | C2 | C7 | H7 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C2 | C3 | C4 | H3 | 180.0° | 179.7° |
| C2 | C3 | C4 | H4 | 179.9° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.1° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| H7 | C7 | C6 | C5 | 180.0° | 179.9° |
| H7 | C7 | C6 | H6 | 0.0° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.1° | 0.2° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| H6 | C6 | C5 | C4 | 180.0° | 180.0° |
| H6 | C6 | C5 | H5 | 0.1° | 0.1° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C5 | C4 | C3 | H3 | 179.9° | 179.8° |
| H5 | C5 | C4 | C3 | 179.9° | 179.7° |
| H5 | C5 | C4 | H4 | 0.1° | 0.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
