W9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | CL4 | sing | 1.74Å | 1.73Å | |
| C2 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | CL6 | sing | 1.74Å | 1.73Å | |
| C3 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | N9 | sing | 1.40Å | 1.42Å | |
| N9 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | N11 | sing | 1.35Å | 1.46Å | |
| C10 | O12 | doub | 1.22Å | 1.22Å | |
| N11 | C13 | sing | 1.46Å | 1.46Å | |
| N11 | C14 | sing | 1.47Å | 1.46Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.4° | 120.0° |
| C2 | C1 | CL4 | 120.8° | 120.0° |
| C1 | C2 | C5 | 119.9° | 120.1° |
| C1 | C2 | CL6 | 121.1° | 120.0° |
| C3 | C1 | CL4 | 118.8° | 120.0° |
| C1 | C3 | C7 | 119.7° | 120.0° |
| C1 | C3 | H3 | 120.2° | 120.0° |
| C5 | C2 | CL6 | 119.0° | 120.0° |
| C2 | C5 | C8 | 120.0° | 120.1° |
| C2 | C5 | H5 | 120.0° | 119.9° |
| C3 | C7 | C8 | 119.8° | 119.9° |
| C3 | C7 | N9 | 120.8° | 120.1° |
| C7 | C3 | H3 | 120.1° | 120.0° |
| C5 | C8 | C7 | 120.2° | 119.9° |
| C8 | C5 | H5 | 120.0° | 120.0° |
| C5 | C8 | H8 | 119.9° | 120.0° |
| C8 | C7 | N9 | 119.4° | 120.0° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C7 | N9 | C10 | 127.0° | 120.0° |
| C7 | N9 | H9 | 116.5° | 119.9° |
| N9 | C10 | N11 | 117.9° | 120.0° |
| N9 | C10 | O12 | 124.3° | 120.0° |
| C10 | N9 | H9 | 116.5° | 120.1° |
| N11 | C10 | O12 | 117.8° | 120.0° |
| C10 | N11 | C13 | 123.1° | 120.0° |
| C10 | N11 | C14 | 122.5° | 120.0° |
| C13 | N11 | C14 | 114.4° | 120.0° |
| N11 | C13 | H131 | 109.5° | 109.4° |
| N11 | C13 | H132 | 109.4° | 109.5° |
| N11 | C13 | H133 | 109.5° | 109.5° |
| N11 | C14 | H141 | 109.5° | 109.4° |
| N11 | C14 | H142 | 109.5° | 109.5° |
| N11 | C14 | H143 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | CL4 | 179.5° | 179.6° |
| C1 | C2 | C5 | CL6 | 179.9° | 179.9° |
| C2 | C1 | C3 | C7 | 1.9° | 0.1° |
| C1 | C2 | C5 | C8 | 0.2° | 0.1° |
| C2 | C1 | C3 | H3 | 178.1° | 179.9° |
| C1 | C2 | C5 | H5 | 179.8° | 179.9° |
| C3 | C1 | C2 | C5 | 0.8° | 0.1° |
| C3 | C1 | C2 | CL6 | 179.3° | 180.0° |
| C1 | C3 | C7 | H3 | 180.0° | 180.0° |
| C1 | C3 | C7 | C8 | 2.4° | 0.0° |
| C1 | C3 | C7 | N9 | 179.9° | 180.0° |
| CL4 | C1 | C2 | C5 | 179.7° | 179.7° |
| CL4 | C1 | C2 | CL6 | 0.2° | 0.3° |
| CL4 | C1 | C3 | C7 | 178.6° | 179.7° |
| CL4 | C1 | C3 | H3 | 1.4° | 0.3° |
| C2 | C5 | C8 | H5 | 180.0° | 180.0° |
| C2 | C5 | C8 | C7 | 0.8° | 0.0° |
| C2 | C5 | C8 | H8 | 179.2° | 179.9° |
| CL6 | C2 | C5 | C8 | 179.9° | 180.0° |
| CL6 | C2 | C5 | H5 | 0.1° | 0.0° |
| C3 | C7 | C8 | C5 | 1.9° | 0.0° |
| C3 | C7 | C8 | N9 | 177.7° | 180.0° |
| C3 | C7 | N9 | C10 | 62.3° | 157.1° |
| C3 | C7 | C8 | H8 | 178.1° | 179.9° |
| C3 | C7 | N9 | H9 | 117.7° | 23.0° |
| C5 | C8 | C7 | H8 | 180.0° | 179.9° |
| C5 | C8 | C7 | N9 | 179.5° | 180.0° |
| C8 | C7 | N9 | C10 | 120.0° | 22.9° |
| C8 | C7 | C3 | H3 | 177.6° | 180.0° |
| C7 | C8 | C5 | H5 | 179.3° | 179.9° |
| C8 | C7 | N9 | H9 | 60.0° | 157.0° |
| C7 | N9 | C10 | H9 | 180.0° | 179.9° |
| C7 | N9 | C10 | N11 | 176.5° | 170.8° |
| C7 | N9 | C10 | O12 | 3.4° | 9.3° |
| N9 | C7 | C3 | H3 | 0.1° | 0.0° |
| N9 | C7 | C8 | H8 | 0.4° | 0.1° |
| N9 | C10 | N11 | O12 | 179.9° | 179.9° |
| N9 | C10 | N11 | C13 | 0.0° | 172.5° |
| N9 | C10 | N11 | C14 | 180.0° | 7.5° |
| C10 | N11 | C13 | C14 | 180.0° | 179.9° |
| N11 | C10 | N9 | H9 | 3.5° | 9.3° |
| C10 | N11 | C13 | H131 | 180.0° | 90.1° |
| C10 | N11 | C13 | H132 | 60.0° | 150.0° |
| C10 | N11 | C13 | H133 | 60.0° | 30.0° |
| C10 | N11 | C14 | H141 | 180.0° | 4.7° |
| C10 | N11 | C14 | H142 | 60.0° | 115.2° |
| C10 | N11 | C14 | H143 | 60.0° | 124.8° |
| O12 | C10 | N11 | C13 | 179.9° | 7.4° |
| O12 | C10 | N11 | C14 | 0.1° | 172.5° |
| O12 | C10 | N9 | H9 | 176.6° | 170.6° |
| N11 | C13 | H131 | H132 | 120.0° | 120.0° |
| N11 | C13 | H131 | H133 | 120.0° | 120.0° |
| N11 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | N11 | C14 | H141 | 0.0° | 175.4° |
| C13 | N11 | C14 | H142 | 120.0° | 64.7° |
| C13 | N11 | C14 | H143 | 120.0° | 55.3° |
| C14 | N11 | C13 | H131 | 0.0° | 90.0° |
| C14 | N11 | C13 | H132 | 120.0° | 29.9° |
| C14 | N11 | C13 | H133 | 120.0° | 150.0° |
| N11 | C14 | H141 | H142 | 120.0° | 120.0° |
| N11 | C14 | H141 | H143 | 120.0° | 120.0° |
| N11 | C14 | H142 | H143 | 120.0° | 120.0° |
| H5 | C5 | C8 | H8 | 0.8° | 0.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
