TZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAI | CAF | doub | 1.31Å | 1.32Å | Aromatic |
| NAI | CAE | sing | 1.33Å | 1.38Å | Aromatic |
| CAF | NAM | sing | 1.34Å | 1.38Å | Aromatic |
| CAE | NAJ | doub | 1.31Å | 1.35Å | Aromatic |
| NAM | CAH | sing | 1.46Å | 1.43Å | |
| NAM | NAJ | sing | 1.40Å | 1.28Å | Aromatic |
| CAH | CAL | sing | 1.51Å | 1.49Å | |
| CAL | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAG | sing | 1.38Å | 1.43Å | Aromatic |
| CAD | CAB | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAC | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | NAA | sing | 1.40Å | 1.45Å | |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| NAA | H2 | sing | 0.97Å | 1.00Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAB | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | NAI | CAE | 104.9° | 109.8° |
| NAI | CAF | NAM | 107.4° | 108.1° |
| NAI | CAF | H10 | 126.3° | 125.9° |
| NAI | CAE | NAJ | 110.2° | 109.0° |
| NAI | CAE | H9 | 124.9° | 125.5° |
| CAF | NAM | CAH | 127.0° | 126.8° |
| CAF | NAM | NAJ | 111.4° | 106.4° |
| NAM | CAF | H10 | 126.3° | 125.9° |
| CAE | NAJ | NAM | 104.9° | 106.8° |
| NAJ | CAE | H9 | 124.9° | 125.5° |
| CAH | NAM | NAJ | 121.0° | 126.8° |
| NAM | CAH | CAL | 117.8° | 109.5° |
| NAM | CAH | H7 | 107.3° | 109.5° |
| NAM | CAH | H8 | 107.3° | 109.5° |
| CAH | CAL | CAD | 112.6° | 120.0° |
| CAH | CAL | CAG | 125.4° | 119.9° |
| CAL | CAH | H7 | 107.4° | 109.5° |
| CAL | CAH | H8 | 107.4° | 109.4° |
| CAD | CAL | CAG | 121.9° | 120.0° |
| CAL | CAD | CAB | 116.7° | 120.2° |
| CAL | CAD | H6 | 121.7° | 119.9° |
| CAL | CAG | CAK | 118.8° | 119.9° |
| CAL | CAG | H1 | 120.6° | 120.0° |
| CAD | CAB | CAC | 122.8° | 120.0° |
| CAD | CAB | H5 | 118.6° | 120.0° |
| CAB | CAD | H6 | 121.6° | 119.9° |
| CAG | CAK | CAC | 120.3° | 119.8° |
| CAG | CAK | NAA | 119.3° | 120.1° |
| CAK | CAG | H1 | 120.6° | 120.0° |
| CAB | CAC | CAK | 119.2° | 119.9° |
| CAB | CAC | H4 | 120.5° | 120.1° |
| CAC | CAB | H5 | 118.6° | 120.0° |
| CAC | CAK | NAA | 119.9° | 120.1° |
| CAK | CAC | H4 | 120.4° | 120.0° |
| CAK | NAA | H2 | 109.5° | 120.0° |
| CAK | NAA | H3 | 109.5° | 120.0° |
| H2 | NAA | H3 | 109.5° | 120.0° |
| H7 | CAH | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAI | CAF | NAM | H10 | 180.0° | 179.6° |
| CAF | NAI | CAE | NAJ | 7.8° | 0.2° |
| NAI | CAF | NAM | CAH | 176.4° | 179.9° |
| NAI | CAF | NAM | NAJ | 5.5° | 0.4° |
| CAF | NAI | CAE | H9 | 172.1° | 179.8° |
| CAE | NAI | CAF | NAM | 1.6° | 0.4° |
| NAI | CAE | NAJ | H9 | 180.0° | 180.0° |
| NAI | CAE | NAJ | NAM | 11.1° | 0.0° |
| CAE | NAI | CAF | H10 | 178.4° | 180.0° |
| CAF | NAM | NAJ | CAE | 10.1° | 0.2° |
| CAF | NAM | CAH | NAJ | 170.1° | 179.7° |
| CAF | NAM | CAH | CAL | 134.8° | 124.7° |
| CAF | NAM | CAH | H7 | 104.0° | 4.7° |
| CAF | NAM | CAH | H8 | 13.6° | 115.3° |
| CAE | NAJ | NAM | CAH | 178.4° | 180.0° |
| NAM | CAH | CAL | H7 | 121.2° | 120.0° |
| NAM | CAH | CAL | H8 | 121.2° | 120.0° |
| NAM | CAH | CAL | CAD | 164.3° | 90.0° |
| NAM | CAH | CAL | CAG | 18.4° | 90.5° |
| NAM | CAH | H7 | H8 | 116.2° | 120.0° |
| CAH | NAM | CAF | H10 | 3.6° | 0.2° |
| NAJ | NAM | CAH | CAL | 55.1° | 54.9° |
| NAJ | NAM | CAH | H7 | 66.1° | 175.0° |
| NAJ | NAM | CAH | H8 | 176.3° | 65.0° |
| NAM | NAJ | CAE | H9 | 168.9° | 180.0° |
| NAJ | NAM | CAF | H10 | 174.5° | 180.0° |
| CAH | CAL | CAD | CAG | 177.4° | 179.5° |
| CAH | CAL | CAD | CAB | 175.9° | 180.0° |
| CAH | CAL | CAG | CAK | 179.6° | 180.0° |
| CAH | CAL | CAG | H1 | 0.5° | 0.2° |
| CAH | CAL | CAD | H6 | 4.0° | 0.2° |
| CAL | CAH | H7 | H8 | 116.3° | 119.9° |
| CAL | CAD | CAB | H6 | 180.0° | 179.8° |
| CAD | CAL | CAG | CAK | 2.5° | 0.5° |
| CAL | CAD | CAB | CAC | 1.5° | 0.3° |
| CAD | CAL | CAG | H1 | 177.5° | 179.7° |
| CAL | CAD | CAB | H5 | 178.5° | 179.7° |
| CAD | CAL | CAH | H7 | 43.2° | 149.9° |
| CAD | CAL | CAH | H8 | 74.5° | 30.0° |
| CAG | CAL | CAD | CAB | 1.5° | 0.5° |
| CAL | CAG | CAK | H1 | 180.0° | 179.8° |
| CAL | CAG | CAK | CAC | 6.5° | 0.2° |
| CAL | CAG | CAK | NAA | 178.6° | 179.7° |
| CAG | CAL | CAD | H6 | 178.6° | 179.7° |
| CAG | CAL | CAH | H7 | 139.5° | 29.6° |
| CAG | CAL | CAH | H8 | 102.8° | 149.5° |
| CAD | CAB | CAC | H5 | 180.0° | 180.0° |
| CAD | CAB | CAC | CAK | 2.4° | 0.0° |
| CAD | CAB | CAC | H4 | 177.6° | 179.9° |
| CAG | CAK | CAC | CAB | 6.5° | 0.1° |
| CAG | CAK | CAC | NAA | 172.0° | 179.9° |
| CAG | CAK | NAA | H2 | 180.0° | 0.0° |
| CAG | CAK | NAA | H3 | 60.0° | 179.9° |
| CAG | CAK | CAC | H4 | 173.5° | 180.0° |
| CAB | CAC | CAK | H4 | 180.0° | 179.9° |
| CAB | CAC | CAK | NAA | 178.5° | 180.0° |
| CAC | CAB | CAD | H6 | 178.5° | 180.0° |
| CAC | CAK | CAG | H1 | 173.5° | 180.0° |
| CAC | CAK | NAA | H2 | 7.9° | 179.9° |
| CAC | CAK | NAA | H3 | 112.1° | 0.0° |
| CAK | CAC | CAB | H5 | 177.6° | 180.0° |
| NAA | CAK | CAG | H1 | 1.4° | 0.1° |
| CAK | NAA | H2 | H3 | 120.0° | 179.9° |
| NAA | CAK | CAC | H4 | 1.5° | 0.1° |
| H4 | CAC | CAB | H5 | 2.4° | 0.1° |
| H5 | CAB | CAD | H6 | 1.5° | 0.1° |
