O7L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | sing | 1.42Å | 1.47Å | |
| C1 | O | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.37Å | Aromatic |
| C2 | S | sing | 1.76Å | 1.73Å | Aromatic |
| C5 | C6 | sing | 1.43Å | 1.42Å | |
| C5 | S | sing | 1.76Å | 1.74Å | Aromatic |
| C6 | N | trip | 1.14Å | 1.14Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 118.2° | 120.0° |
| C | C1 | O | 121.1° | 120.0° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C2 | C1 | O | 120.7° | 120.0° |
| C1 | C2 | C3 | 130.3° | 125.1° |
| C1 | C2 | S | 118.8° | 125.2° |
| C4 | C3 | C2 | 113.6° | 114.7° |
| C3 | C4 | C5 | 113.1° | 114.8° |
| C4 | C3 | H1 | 123.2° | 122.6° |
| C3 | C4 | H2 | 123.5° | 122.6° |
| C3 | C2 | S | 110.7° | 109.7° |
| C2 | C3 | H1 | 123.2° | 122.6° |
| C4 | C5 | C6 | 127.4° | 125.2° |
| C4 | C5 | S | 110.9° | 109.7° |
| C5 | C4 | H2 | 123.4° | 122.6° |
| C2 | S | C5 | 91.7° | 91.2° |
| C6 | C5 | S | 121.7° | 125.1° |
| C5 | C6 | N | 178.0° | 180.0° |
| H3 | C | H4 | 109.4° | 109.5° |
| H3 | C | H5 | 109.5° | 109.4° |
| H4 | C | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | O | 178.3° | 179.7° |
| C | C1 | C2 | C3 | 16.7° | 179.4° |
| C | C1 | C2 | S | 157.4° | 0.3° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 174.0° | 180.0° |
| C1 | C2 | C3 | S | 174.5° | 179.8° |
| C1 | C2 | S | C5 | 174.6° | 180.0° |
| C1 | C2 | C3 | H1 | 6.0° | 0.0° |
| C2 | C1 | C | H3 | 178.3° | 60.0° |
| C2 | C1 | C | H4 | 61.7° | 180.0° |
| C2 | C1 | C | H5 | 58.3° | 60.0° |
| O | C1 | C2 | C3 | 165.0° | 0.3° |
| O | C1 | C2 | S | 20.9° | 180.0° |
| O | C1 | C | H3 | 0.0° | 119.7° |
| O | C1 | C | H4 | 120.0° | 0.3° |
| O | C1 | C | H5 | 120.0° | 120.3° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | S | 0.5° | 0.2° |
| C3 | C4 | C5 | C6 | 179.5° | 180.0° |
| C3 | C4 | C5 | S | 0.3° | 0.3° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | S | C5 | 0.6° | 0.3° |
| C2 | C3 | C4 | H2 | 179.8° | 180.0° |
| C4 | C5 | S | C2 | 0.5° | 0.3° |
| C4 | C5 | C6 | S | 179.8° | 179.7° |
| C4 | C5 | C6 | N | 173.8° | 0.3° |
| C5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C2 | S | C5 | C6 | 179.3° | 180.0° |
| S | C2 | C3 | H1 | 179.5° | 179.8° |
| C6 | C5 | C4 | H2 | 0.5° | 0.1° |
| S | C5 | C6 | N | 6.0° | 180.0° |
| S | C5 | C4 | H2 | 179.7° | 179.8° |
| H1 | C3 | C4 | H2 | 0.2° | 0.1° |
| H3 | C | H4 | H5 | 120.0° | 120.0° |
