TP5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | S1 | sing | 1.73Å | 1.72Å | Aromatic |
| C4 | C1 | doub | 1.37Å | 1.41Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| S1 | C5 | sing | 1.78Å | 1.72Å | Aromatic |
| C5 | C3 | doub | 1.35Å | 1.40Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C3 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.48Å | 1.47Å | |
| C2 | N2 | sing | 1.38Å | 1.32Å | |
| C2 | N1 | doub | 1.30Å | 1.32Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C4 | C1 | 113.0° | 102.9° |
| S1 | C4 | HC4 | 123.5° | 128.6° |
| C4 | S1 | C5 | 91.1° | 98.8° |
| C1 | C4 | HC4 | 123.5° | 128.5° |
| C4 | C1 | C3 | 110.6° | 118.2° |
| C4 | C1 | C2 | 124.1° | 120.9° |
| S1 | C5 | C3 | 112.3° | 102.4° |
| S1 | C5 | HC5 | 123.9° | 128.8° |
| C3 | C5 | HC5 | 123.9° | 128.8° |
| C5 | C3 | C1 | 112.9° | 117.7° |
| C5 | C3 | HC3 | 123.6° | 121.1° |
| C1 | C3 | HC3 | 123.5° | 121.2° |
| C3 | C1 | C2 | 125.3° | 120.9° |
| C1 | C2 | N2 | 116.6° | 120.0° |
| C1 | C2 | N1 | 117.8° | 120.0° |
| N2 | C2 | N1 | 125.6° | 120.0° |
| C2 | N2 | HN21 | 125.8° | 120.0° |
| C2 | N2 | HN22 | 108.4° | 120.0° |
| C2 | N1 | HN1 | 108.3° | 120.0° |
| HN21 | N2 | HN22 | 125.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C4 | C1 | HC4 | 180.0° | 180.0° |
| C4 | S1 | C5 | C3 | 3.8° | 0.2° |
| C4 | S1 | C5 | HC5 | 176.2° | 180.0° |
| S1 | C4 | C1 | C3 | 2.7° | 0.2° |
| S1 | C4 | C1 | C2 | 178.5° | 179.9° |
| C1 | C4 | S1 | C5 | 3.7° | 0.0° |
| C4 | C1 | C3 | C5 | 0.2° | 0.5° |
| C4 | C1 | C3 | C2 | 178.8° | 179.7° |
| C4 | C1 | C3 | HC3 | 179.8° | 179.9° |
| C4 | C1 | C2 | N2 | 28.9° | 0.0° |
| C4 | C1 | C2 | N1 | 152.0° | 180.0° |
| HC4 | C4 | S1 | C5 | 176.2° | 180.0° |
| HC4 | C4 | C1 | C3 | 177.3° | 179.8° |
| HC4 | C4 | C1 | C2 | 1.6° | 0.0° |
| S1 | C5 | C3 | HC5 | 180.0° | 179.7° |
| S1 | C5 | C3 | C1 | 3.0° | 0.4° |
| S1 | C5 | C3 | HC3 | 177.0° | 180.0° |
| C5 | C3 | C1 | HC3 | 180.0° | 179.6° |
| C5 | C3 | C1 | C2 | 178.6° | 179.8° |
| HC5 | C5 | C3 | C1 | 177.0° | 179.9° |
| HC5 | C5 | C3 | HC3 | 3.0° | 0.2° |
| C3 | C1 | C2 | N2 | 149.7° | 179.8° |
| C3 | C1 | C2 | N1 | 29.3° | 0.3° |
| HC3 | C3 | C1 | C2 | 1.4° | 0.2° |
| C1 | C2 | N2 | N1 | 178.9° | 180.0° |
| C1 | C2 | N2 | HN21 | 0.0° | 0.0° |
| C1 | C2 | N2 | HN22 | 180.0° | 179.7° |
| C1 | C2 | N1 | HN1 | 0.5° | 180.0° |
| C2 | N2 | HN21 | HN22 | 180.0° | 179.7° |
| N2 | C2 | N1 | HN1 | 179.4° | 0.0° |
| N1 | C2 | N2 | HN21 | 178.9° | 179.9° |
| N1 | C2 | N2 | HN22 | 1.1° | 0.3° |
