SW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C7 | doub | 1.22Å | 1.23Å | |
| C7 | N | sing | 1.35Å | 1.38Å | |
| C7 | C4 | sing | 1.48Å | 1.51Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C7 | N | 118.8° | 120.0° |
| O | C7 | C4 | 123.3° | 120.0° |
| N | C7 | C4 | 117.8° | 120.0° |
| C7 | N | H3 | 120.0° | 120.0° |
| C7 | N | H4 | 120.0° | 120.0° |
| C7 | C4 | C3 | 120.0° | 120.2° |
| C7 | C4 | C5 | 119.9° | 120.1° |
| C4 | C3 | C2 | 120.3° | 119.9° |
| C3 | C4 | C5 | 120.0° | 119.7° |
| C4 | C3 | H9 | 119.9° | 120.1° |
| C3 | C2 | C1 | 119.9° | 120.1° |
| C3 | C2 | H8 | 120.1° | 120.0° |
| C2 | C3 | H9 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.9° | 119.8° |
| C4 | C5 | H1 | 120.0° | 120.1° |
| C2 | C1 | C6 | 119.6° | 120.3° |
| C2 | C1 | C | 119.1° | 119.8° |
| C1 | C2 | H8 | 120.1° | 119.9° |
| C5 | C6 | C1 | 120.3° | 120.2° |
| C6 | C5 | H1 | 120.1° | 120.1° |
| C5 | C6 | H2 | 119.9° | 119.9° |
| C6 | C1 | C | 121.3° | 119.9° |
| C1 | C6 | H2 | 119.8° | 119.9° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.4° | 109.5° |
| H3 | N | H4 | 120.0° | 120.0° |
| H5 | C | H6 | 109.5° | 109.4° |
| H5 | C | H7 | 109.5° | 109.4° |
| H6 | C | H7 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C7 | N | C4 | 177.9° | 180.0° |
| O | C7 | C4 | C3 | 19.3° | 179.7° |
| O | C7 | C4 | C5 | 165.2° | 0.0° |
| O | C7 | N | H3 | 0.0° | 180.0° |
| O | C7 | N | H4 | 180.0° | 0.0° |
| N | C7 | C4 | C3 | 158.5° | 0.3° |
| N | C7 | C4 | C5 | 17.0° | 180.0° |
| C7 | N | H3 | H4 | 180.0° | 180.0° |
| C7 | C4 | C3 | C5 | 175.5° | 179.7° |
| C7 | C4 | C3 | C2 | 174.5° | 179.8° |
| C7 | C4 | C5 | C6 | 174.5° | 180.0° |
| C7 | C4 | C5 | H1 | 5.5° | 0.0° |
| C4 | C7 | N | H3 | 177.8° | 0.0° |
| C4 | C7 | N | H4 | 2.2° | 180.0° |
| C7 | C4 | C3 | H9 | 5.5° | 0.3° |
| C4 | C3 | C2 | H9 | 180.0° | 179.5° |
| C4 | C3 | C2 | C1 | 0.5° | 0.5° |
| C3 | C4 | C5 | C6 | 1.0° | 0.3° |
| C3 | C4 | C5 | H1 | 179.0° | 179.7° |
| C4 | C3 | C2 | H8 | 179.5° | 179.8° |
| C2 | C3 | C4 | C5 | 1.0° | 0.5° |
| C3 | C2 | C1 | H8 | 180.0° | 179.7° |
| C3 | C2 | C1 | C6 | 0.1° | 0.3° |
| C3 | C2 | C1 | C | 179.3° | 179.8° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.0° |
| C4 | C5 | C6 | H2 | 179.5° | 180.0° |
| C5 | C4 | C3 | H9 | 179.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | C | 179.4° | 180.0° |
| C2 | C1 | C6 | H2 | 179.9° | 180.0° |
| C2 | C1 | C | H5 | 90.3° | 90.0° |
| C2 | C1 | C | H6 | 149.7° | 30.0° |
| C2 | C1 | C | H7 | 29.7° | 150.0° |
| C1 | C2 | C3 | H9 | 179.5° | 180.0° |
| C5 | C6 | C1 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | C | 179.3° | 180.0° |
| C1 | C6 | C5 | H1 | 179.5° | 179.9° |
| C6 | C1 | C | H5 | 90.3° | 90.0° |
| C6 | C1 | C | H6 | 29.7° | 150.0° |
| C6 | C1 | C | H7 | 149.7° | 30.0° |
| C6 | C1 | C2 | H8 | 180.0° | 180.0° |
| C | C1 | C6 | H2 | 0.7° | 0.1° |
| C1 | C | H5 | H6 | 120.0° | 120.1° |
| C1 | C | H5 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H7 | 119.9° | 120.1° |
| C | C1 | C2 | H8 | 0.6° | 0.0° |
| H1 | C5 | C6 | H2 | 0.5° | 0.0° |
| H5 | C | H6 | H7 | 120.0° | 119.9° |
| H8 | C2 | C3 | H9 | 0.5° | 0.3° |
