TT4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAJ | sing | 1.39Å | 1.32Å | |
| CAJ | NAI | doub | 1.31Å | 1.32Å | Aromatic |
| CAJ | NAH | sing | 1.34Å | 1.32Å | Aromatic |
| NAI | NAM | sing | 1.40Å | 1.18Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| NAM | CAK | sing | 1.40Å | 1.34Å | |
| NAM | CAL | sing | 1.35Å | 1.33Å | Aromatic |
| NAH | CAL | doub | 1.32Å | 1.32Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | NAB | sing | 1.38Å | 1.33Å | |
| CAC | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| NAA | H6 | sing | 0.97Å | 1.00Å | |
| NAA | H7 | sing | 0.97Å | 1.00Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAJ | NAI | 124.1° | 125.5° |
| NAA | CAJ | NAH | 125.9° | 125.5° |
| CAJ | NAA | H6 | 109.5° | 120.0° |
| CAJ | NAA | H7 | 109.4° | 120.0° |
| NAI | CAJ | NAH | 110.1° | 109.0° |
| CAJ | NAI | NAM | 109.8° | 106.9° |
| CAJ | NAH | CAL | 101.5° | 109.7° |
| NAI | NAM | CAK | 123.3° | 126.8° |
| NAI | NAM | CAL | 108.4° | 106.4° |
| CAD | CAF | CAK | 119.5° | 119.9° |
| CAF | CAD | CAC | 120.8° | 120.1° |
| CAD | CAF | H1 | 120.2° | 120.1° |
| CAF | CAD | H2 | 119.6° | 120.0° |
| CAF | CAK | NAM | 121.3° | 120.1° |
| CAF | CAK | CAG | 119.6° | 119.8° |
| CAK | CAF | H1 | 120.2° | 120.0° |
| CAK | NAM | CAL | 128.2° | 126.8° |
| NAM | CAK | CAG | 119.1° | 120.1° |
| NAM | CAL | NAH | 110.1° | 107.9° |
| NAM | CAL | NAB | 125.3° | 126.0° |
| NAH | CAL | NAB | 124.6° | 126.0° |
| CAD | CAC | CAE | 119.8° | 120.2° |
| CAC | CAD | H2 | 119.6° | 120.0° |
| CAD | CAC | H3 | 120.1° | 119.9° |
| CAK | CAG | CAE | 120.3° | 119.9° |
| CAK | CAG | H5 | 119.9° | 120.0° |
| CAL | NAB | H8 | 109.5° | 120.0° |
| CAL | NAB | H9 | 109.5° | 120.0° |
| CAC | CAE | CAG | 120.0° | 120.1° |
| CAE | CAC | H3 | 120.1° | 119.9° |
| CAC | CAE | H4 | 120.0° | 120.0° |
| CAG | CAE | H4 | 120.0° | 120.0° |
| CAE | CAG | H5 | 119.9° | 120.1° |
| H6 | NAA | H7 | 109.5° | 120.0° |
| H8 | NAB | H9 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAJ | NAI | NAH | 179.8° | 180.0° |
| NAA | CAJ | NAI | NAM | 179.8° | 180.0° |
| NAA | CAJ | NAH | CAL | 179.2° | 179.7° |
| CAJ | NAA | H6 | H7 | 120.0° | 179.9° |
| CAJ | NAI | NAM | CAK | 179.9° | 180.0° |
| CAJ | NAI | NAM | CAL | 0.4° | 0.2° |
| NAI | CAJ | NAH | CAL | 1.0° | 0.3° |
| NAI | CAJ | NAA | H6 | 0.0° | 0.0° |
| NAI | CAJ | NAA | H7 | 120.0° | 180.0° |
| NAH | CAJ | NAI | NAM | 0.4° | 0.0° |
| CAJ | NAH | CAL | NAM | 1.2° | 0.4° |
| CAJ | NAH | CAL | NAB | 179.9° | 179.7° |
| NAH | CAJ | NAA | H6 | 179.8° | 180.0° |
| NAH | CAJ | NAA | H7 | 60.2° | 0.0° |
| NAI | NAM | CAK | CAF | 137.8° | 34.7° |
| NAI | NAM | CAK | CAL | 179.4° | 179.7° |
| NAI | NAM | CAL | NAH | 1.1° | 0.4° |
| NAI | NAM | CAK | CAG | 39.5° | 145.3° |
| NAI | NAM | CAL | NAB | 180.0° | 179.8° |
| CAD | CAF | CAK | H1 | 180.0° | 179.7° |
| CAD | CAF | CAK | NAM | 178.9° | 180.0° |
| CAF | CAD | CAC | H2 | 180.0° | 179.9° |
| CAD | CAF | CAK | CAG | 1.6° | 0.0° |
| CAF | CAD | CAC | CAE | 0.5° | 0.0° |
| CAF | CAD | CAC | H3 | 179.6° | 179.9° |
| CAF | CAK | NAM | CAG | 177.3° | 180.0° |
| CAF | CAK | NAM | CAL | 42.8° | 145.0° |
| CAK | CAF | CAD | CAC | 1.1° | 0.0° |
| CAF | CAK | CAG | CAE | 1.6° | 0.1° |
| CAK | CAF | CAD | H2 | 178.9° | 179.9° |
| CAF | CAK | CAG | H5 | 178.5° | 180.0° |
| CAK | NAM | CAL | NAH | 179.5° | 179.9° |
| CAK | NAM | CAL | NAB | 0.5° | 0.0° |
| NAM | CAK | CAG | CAE | 178.9° | 180.0° |
| NAM | CAK | CAF | H1 | 1.1° | 0.3° |
| NAM | CAK | CAG | H5 | 1.1° | 0.0° |
| NAM | CAL | NAH | NAB | 178.9° | 179.8° |
| CAL | NAM | CAK | CAG | 139.9° | 35.1° |
| NAM | CAL | NAB | H8 | 178.8° | 0.0° |
| NAM | CAL | NAB | H9 | 61.2° | 180.0° |
| NAH | CAL | NAB | H8 | 0.0° | 179.8° |
| NAH | CAL | NAB | H9 | 120.0° | 0.2° |
| CAD | CAC | CAE | H3 | 180.0° | 179.9° |
| CAD | CAC | CAE | CAG | 0.4° | 0.1° |
| CAC | CAD | CAF | H1 | 178.9° | 179.7° |
| CAD | CAC | CAE | H4 | 179.6° | 180.0° |
| CAK | CAG | CAE | CAC | 0.9° | 0.1° |
| CAK | CAG | CAE | H5 | 180.0° | 179.9° |
| CAG | CAK | CAF | H1 | 178.4° | 179.7° |
| CAK | CAG | CAE | H4 | 179.1° | 180.0° |
| CAL | NAB | H8 | H9 | 120.0° | 180.0° |
| CAC | CAE | CAG | H4 | 180.0° | 179.9° |
| CAE | CAC | CAD | H2 | 179.5° | 180.0° |
| CAC | CAE | CAG | H5 | 179.1° | 179.9° |
| CAG | CAE | CAC | H3 | 179.6° | 180.0° |
| H1 | CAF | CAD | H2 | 1.1° | 0.3° |
| H2 | CAD | CAC | H3 | 0.4° | 0.1° |
| H3 | CAC | CAE | H4 | 0.4° | 0.1° |
| H4 | CAE | CAG | H5 | 0.9° | 0.0° |






