SWX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | O14 | sing | 1.43Å | 1.42Å | |
| C2 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N12 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.45Å | |
| C8 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| N12 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| O14 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C4 | C10 | 120.2° | 120.1° |
| C4 | C2 | C8 | 121.0° | 119.9° |
| C4 | C2 | H2 | 119.5° | 120.1° |
| C2 | C4 | H4 | 119.9° | 120.0° |
| C4 | C10 | C11 | 118.2° | 119.9° |
| C4 | C10 | C3 | 119.4° | 120.2° |
| C10 | C4 | H4 | 119.9° | 119.9° |
| C10 | C11 | O14 | 111.0° | 109.5° |
| C11 | C10 | C3 | 122.4° | 119.9° |
| C10 | C11 | H8 | 109.1° | 109.4° |
| C10 | C11 | H9 | 109.1° | 109.4° |
| O14 | C11 | H8 | 109.1° | 109.5° |
| O14 | C11 | H9 | 109.1° | 109.5° |
| C11 | O14 | H10 | 109.5° | 113.9° |
| C2 | C8 | C9 | 119.9° | 120.2° |
| C2 | C8 | C1 | 118.6° | 119.7° |
| C8 | C2 | H2 | 119.5° | 120.0° |
| C10 | C3 | C1 | 120.3° | 120.1° |
| C10 | C3 | H3 | 119.9° | 119.9° |
| N12 | C5 | C9 | 124.6° | 118.9° |
| C5 | N12 | C7 | 114.7° | 121.0° |
| N12 | C5 | H5 | 117.7° | 120.5° |
| C5 | C9 | C8 | 122.5° | 120.9° |
| C5 | C9 | C6 | 114.6° | 118.2° |
| C9 | C5 | H5 | 117.7° | 120.6° |
| C9 | C8 | C1 | 121.5° | 120.1° |
| C8 | C9 | C6 | 122.9° | 120.9° |
| C8 | C1 | C3 | 120.6° | 119.9° |
| C8 | C1 | H1 | 119.7° | 120.0° |
| N12 | C7 | N13 | 126.6° | 122.0° |
| N12 | C7 | H7 | 116.7° | 119.0° |
| C9 | C6 | N13 | 123.9° | 119.0° |
| C9 | C6 | H6 | 118.1° | 120.5° |
| C3 | C1 | H1 | 119.7° | 120.0° |
| C1 | C3 | H3 | 119.9° | 119.9° |
| C7 | N13 | C6 | 115.6° | 120.9° |
| N13 | C7 | H7 | 116.7° | 118.9° |
| N13 | C6 | H6 | 118.1° | 120.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C4 | C10 | H4 | 180.0° | 179.6° |
| C2 | C4 | C10 | C11 | 179.8° | 180.0° |
| C4 | C2 | C8 | H2 | 180.0° | 179.8° |
| C2 | C4 | C10 | C3 | 0.2° | 0.3° |
| C4 | C2 | C8 | C9 | 179.2° | 180.0° |
| C4 | C2 | C8 | C1 | 0.2° | 0.1° |
| C4 | C10 | C11 | C3 | 179.6° | 179.7° |
| C4 | C10 | C11 | O14 | 143.9° | 90.0° |
| C10 | C4 | C2 | C8 | 0.0° | 0.4° |
| C4 | C10 | C3 | C1 | 0.2° | 0.0° |
| C10 | C4 | C2 | H2 | 179.9° | 179.8° |
| C4 | C10 | C3 | H3 | 179.8° | 180.0° |
| C4 | C10 | C11 | H8 | 95.9° | 150.0° |
| C4 | C10 | C11 | H9 | 23.6° | 30.0° |
| C10 | C11 | O14 | H8 | 120.2° | 120.0° |
| C10 | C11 | O14 | H9 | 120.3° | 119.9° |
| C11 | C10 | C3 | C1 | 179.8° | 179.7° |
| C11 | C10 | C3 | H3 | 0.3° | 0.3° |
| C11 | C10 | C4 | H4 | 0.2° | 0.4° |
| C10 | C11 | H8 | H9 | 119.3° | 119.9° |
| C10 | C11 | O14 | H10 | 180.0° | 180.0° |
| O14 | C11 | C10 | C3 | 36.5° | 89.7° |
| O14 | C11 | H8 | H9 | 119.3° | 120.1° |
| C2 | C8 | C9 | C5 | 29.3° | 180.0° |
| C2 | C8 | C9 | C1 | 179.4° | 179.9° |
| C2 | C8 | C9 | C6 | 152.0° | 0.1° |
| C2 | C8 | C1 | C3 | 0.2° | 0.3° |
| C2 | C8 | C1 | H1 | 179.8° | 179.9° |
| C8 | C2 | C4 | H4 | 179.9° | 180.0° |
| C10 | C3 | C1 | C8 | 0.0° | 0.3° |
| C10 | C3 | C1 | H3 | 180.0° | 179.9° |
| C10 | C3 | C1 | H1 | 180.0° | 180.0° |
| C3 | C10 | C4 | H4 | 179.8° | 179.9° |
| C3 | C10 | C11 | H8 | 83.7° | 30.3° |
| C3 | C10 | C11 | H9 | 156.8° | 150.3° |
| N12 | C5 | C9 | H5 | 180.0° | 179.7° |
| N12 | C5 | C9 | C8 | 178.9° | 180.0° |
| N12 | C5 | C9 | C6 | 0.1° | 0.1° |
| C5 | N12 | C7 | N13 | 0.1° | 0.0° |
| C5 | N12 | C7 | H7 | 179.9° | 180.0° |
| C5 | C9 | C8 | C6 | 178.7° | 179.9° |
| C5 | C9 | C8 | C1 | 150.1° | 0.1° |
| C9 | C5 | N12 | C7 | 0.2° | 0.0° |
| C5 | C9 | C6 | N13 | 0.7° | 0.1° |
| C5 | C9 | C6 | H6 | 179.3° | 180.0° |
| C9 | C8 | C1 | C3 | 179.2° | 179.7° |
| C8 | C9 | C6 | N13 | 179.6° | 180.0° |
| C9 | C8 | C1 | H1 | 0.8° | 0.0° |
| C9 | C8 | C2 | H2 | 0.8° | 0.2° |
| C8 | C9 | C5 | H5 | 1.1° | 0.4° |
| C8 | C9 | C6 | H6 | 0.4° | 0.1° |
| C1 | C8 | C9 | C6 | 28.7° | 180.0° |
| C8 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C8 | C2 | H2 | 179.9° | 179.9° |
| C8 | C1 | C3 | H3 | 180.0° | 179.7° |
| N12 | C7 | N13 | H7 | 180.0° | 180.0° |
| N12 | C7 | N13 | C6 | 0.7° | 0.0° |
| C7 | N12 | C5 | H5 | 179.8° | 179.7° |
| C9 | C6 | N13 | C7 | 1.0° | 0.0° |
| C9 | C6 | N13 | H6 | 180.0° | 179.9° |
| C6 | C9 | C5 | H5 | 179.9° | 179.7° |
| C7 | N13 | C6 | H6 | 179.0° | 179.9° |
| C6 | N13 | C7 | H7 | 179.3° | 180.0° |
| H1 | C1 | C3 | H3 | 0.0° | 0.1° |
| H2 | C2 | C4 | H4 | 0.1° | 0.2° |
| H8 | C11 | O14 | H10 | 59.8° | 60.0° |
| H9 | C11 | O14 | H10 | 59.8° | 60.0° |
