T7L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C | doub | 1.22Å | 1.24Å | |
| C2 | C1 | doub | 1.37Å | 1.35Å | Aromatic |
| C2 | N | sing | 1.31Å | 1.38Å | Aromatic |
| C | O | sing | 1.35Å | 1.34Å | |
| C | C1 | sing | 1.46Å | 1.47Å | |
| C1 | S | sing | 1.76Å | 1.74Å | Aromatic |
| N | C3 | doub | 1.30Å | 1.31Å | Aromatic |
| C3 | S | sing | 1.71Å | 1.74Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | O | 123.7° | 120.0° |
| O1 | C | C1 | 120.2° | 120.0° |
| C1 | C2 | N | 116.9° | 114.0° |
| C2 | C1 | C | 130.1° | 126.1° |
| C2 | C1 | S | 108.6° | 107.7° |
| C1 | C2 | H6 | 121.6° | 123.0° |
| C2 | N | C3 | 110.6° | 117.3° |
| N | C2 | H6 | 121.5° | 123.0° |
| O | C | C1 | 116.1° | 120.0° |
| C | O | H5 | 109.5° | 117.0° |
| C | C1 | S | 121.2° | 126.2° |
| C1 | S | C3 | 89.6° | 90.4° |
| N | C3 | S | 114.2° | 110.5° |
| N | C3 | C4 | 123.9° | 124.8° |
| S | C3 | C4 | 121.8° | 124.7° |
| C3 | C4 | C5 | 120.5° | 120.1° |
| C3 | C4 | C9 | 120.7° | 120.2° |
| C5 | C4 | C9 | 118.8° | 119.7° |
| C4 | C5 | C6 | 120.5° | 119.8° |
| C4 | C5 | H1 | 119.8° | 120.1° |
| C4 | C9 | C8 | 120.4° | 119.9° |
| C4 | C9 | H7 | 119.8° | 120.1° |
| C5 | C6 | C7 | 120.3° | 120.1° |
| C6 | C5 | H1 | 119.8° | 120.1° |
| C5 | C6 | H2 | 119.8° | 119.9° |
| C9 | C8 | C7 | 120.3° | 120.1° |
| C9 | C8 | H4 | 119.9° | 119.9° |
| C8 | C9 | H7 | 119.8° | 120.0° |
| C6 | C7 | C8 | 119.8° | 120.4° |
| C7 | C6 | H2 | 119.9° | 120.0° |
| C6 | C7 | H3 | 120.1° | 119.9° |
| C8 | C7 | H3 | 120.1° | 119.8° |
| C7 | C8 | H4 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | C1 | C2 | 25.1° | 0.1° |
| O1 | C | O | C1 | 179.7° | 179.9° |
| O1 | C | C1 | S | 156.7° | 179.9° |
| O1 | C | O | H5 | 0.0° | 0.1° |
| C1 | C2 | N | H6 | 180.0° | 179.9° |
| C2 | C1 | C | O | 155.2° | 180.0° |
| C2 | C1 | C | S | 178.3° | 179.9° |
| C1 | C2 | N | C3 | 0.3° | 0.0° |
| C2 | C1 | S | C3 | 1.1° | 0.0° |
| N | C2 | C1 | C | 177.7° | 179.9° |
| N | C2 | C1 | S | 0.7° | 0.0° |
| C2 | N | C3 | S | 1.2° | 0.1° |
| C2 | N | C3 | C4 | 176.2° | 180.0° |
| O | C | C1 | S | 23.1° | 0.1° |
| C | C1 | S | C3 | 177.5° | 179.9° |
| C1 | C | O | H5 | 179.7° | 180.0° |
| C | C1 | C2 | H6 | 2.3° | 0.0° |
| C1 | S | C3 | N | 1.4° | 0.0° |
| C1 | S | C3 | C4 | 176.0° | 180.0° |
| S | C1 | C2 | H6 | 179.3° | 179.9° |
| N | C3 | S | C4 | 177.4° | 180.0° |
| N | C3 | C4 | C5 | 46.5° | 0.0° |
| N | C3 | C4 | C9 | 135.5° | 179.7° |
| C3 | N | C2 | H6 | 179.7° | 180.0° |
| S | C3 | C4 | C5 | 136.4° | 180.0° |
| S | C3 | C4 | C9 | 41.6° | 0.3° |
| C3 | C4 | C5 | C9 | 178.0° | 179.7° |
| C3 | C4 | C5 | C6 | 177.6° | 179.7° |
| C3 | C4 | C9 | C8 | 177.3° | 179.7° |
| C3 | C4 | C5 | H1 | 2.4° | 0.2° |
| C3 | C4 | C9 | H7 | 2.8° | 0.3° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 0.7° | 0.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H2 | 179.9° | 179.9° |
| C5 | C4 | C9 | H7 | 179.2° | 179.9° |
| C9 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C9 | C8 | H7 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 0.5° | 0.0° |
| C9 | C4 | C5 | H1 | 179.6° | 179.9° |
| C4 | C9 | C8 | H4 | 179.5° | 180.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.4° | 0.1° |
| C5 | C6 | C7 | H3 | 179.6° | 179.9° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | H3 | 179.9° | 179.9° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H1 | 179.8° | 179.9° |
| C6 | C7 | C8 | H4 | 179.9° | 179.9° |
| C8 | C7 | C6 | H2 | 179.6° | 180.0° |
| C7 | C8 | C9 | H7 | 179.5° | 180.0° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H2 | C6 | C7 | H3 | 0.4° | 0.1° |
| H3 | C7 | C8 | H4 | 0.1° | 0.0° |
| H4 | C8 | C9 | H7 | 0.5° | 0.1° |
