FTE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.42Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.39Å | Aromatic |
| C2 | N13 | sing | 1.32Å | 1.40Å | |
| C3 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| N13 | C15 | doub | 1.25Å | 1.26Å | |
| C15 | S17 | doub | 1.55Å | 1.69Å | |
| C1 | H1 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.0° | 119.6° |
| C1 | C2 | C3 | 120.0° | 119.3° |
| C1 | C2 | N13 | 120.0° | 120.4° |
| C2 | C1 | H1 | 120.0° | 120.2° |
| C1 | C6 | C5 | 120.0° | 120.4° |
| C6 | C1 | H1 | 120.0° | 120.2° |
| C1 | C6 | H6 | 120.0° | 119.8° |
| C3 | C2 | N13 | 120.0° | 120.3° |
| C2 | C3 | C4 | 120.0° | 119.6° |
| C2 | C3 | H3 | 120.0° | 120.2° |
| C2 | N13 | C15 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.3° |
| C4 | C3 | H3 | 120.0° | 120.2° |
| C3 | C4 | H4 | 120.0° | 119.8° |
| C4 | C5 | C6 | 120.0° | 120.7° |
| C5 | C4 | H4 | 120.0° | 119.9° |
| C4 | C5 | H5 | 120.0° | 119.6° |
| C6 | C5 | H5 | 120.0° | 119.7° |
| C5 | C6 | H6 | 120.0° | 119.8° |
| N13 | C15 | S17 | 120.0° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | N13 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C1 | C2 | N13 | C15 | 94.7° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | N13 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | N13 | C15 | 85.3° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| N13 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | N13 | C15 | S17 | 180.0° | 0.0° |
| N13 | C2 | C1 | H1 | 0.0° | 0.2° |
| N13 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 180.0° | 179.8° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| H1 | C1 | C6 | H6 | 0.0° | 0.2° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
