TIU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAB | sing | 1.35Å | 1.27Å | |
| CAB | NAD | sing | 1.35Å | 1.36Å | |
| CAB | OAC | doub | 1.22Å | 1.20Å | |
| NAD | CAE | sing | 1.35Å | 1.33Å | |
| CAE | OAH | doub | 1.22Å | 1.22Å | |
| CAE | NAF | sing | 1.35Å | 1.38Å | |
| NAF | CAG | sing | 1.35Å | 1.36Å | |
| CAG | NAJ | sing | 1.35Å | 1.35Å | |
| CAG | OAI | doub | 1.22Å | 1.25Å | |
| NAA | H1 | sing | 0.97Å | 1.00Å | |
| NAA | H2 | sing | 0.97Å | 1.00Å | |
| NAD | H3 | sing | 0.97Å | 1.00Å | |
| NAF | H4 | sing | 0.97Å | 1.00Å | |
| NAJ | H5 | sing | 0.97Å | 1.00Å | |
| NAJ | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAB | NAD | 119.3° | 120.0° |
| NAA | CAB | OAC | 112.0° | 120.0° |
| CAB | NAA | H1 | 120.0° | 120.0° |
| CAB | NAA | H2 | 120.0° | 120.0° |
| NAD | CAB | OAC | 128.7° | 120.0° |
| CAB | NAD | CAE | 122.9° | 120.0° |
| CAB | NAD | H3 | 118.5° | 120.0° |
| NAD | CAE | OAH | 122.4° | 120.0° |
| NAD | CAE | NAF | 114.9° | 120.0° |
| CAE | NAD | H3 | 118.5° | 120.0° |
| OAH | CAE | NAF | 122.5° | 120.0° |
| CAE | NAF | CAG | 125.8° | 120.0° |
| CAE | NAF | H4 | 117.1° | 120.0° |
| NAF | CAG | NAJ | 121.8° | 120.0° |
| NAF | CAG | OAI | 123.2° | 120.0° |
| CAG | NAF | H4 | 117.1° | 120.0° |
| NAJ | CAG | OAI | 114.7° | 120.0° |
| CAG | NAJ | H5 | 120.0° | 120.0° |
| CAG | NAJ | H6 | 120.0° | 120.0° |
| H1 | NAA | H2 | 120.0° | 120.0° |
| H5 | NAJ | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAB | NAD | OAC | 179.7° | 180.0° |
| NAA | CAB | NAD | CAE | 145.9° | 180.0° |
| CAB | NAA | H1 | H2 | 180.0° | 179.7° |
| NAA | CAB | NAD | H3 | 34.1° | 0.0° |
| CAB | NAD | CAE | H3 | 180.0° | 180.0° |
| CAB | NAD | CAE | OAH | 178.0° | 0.0° |
| CAB | NAD | CAE | NAF | 6.1° | 180.0° |
| NAD | CAB | NAA | H1 | 179.7° | 0.0° |
| NAD | CAB | NAA | H2 | 0.3° | 179.7° |
| OAC | CAB | NAD | CAE | 33.7° | 0.0° |
| OAC | CAB | NAA | H1 | 0.0° | 180.0° |
| OAC | CAB | NAA | H2 | 180.0° | 0.3° |
| OAC | CAB | NAD | H3 | 146.3° | 180.0° |
| NAD | CAE | OAH | NAF | 175.6° | 180.0° |
| NAD | CAE | NAF | CAG | 172.2° | 180.0° |
| NAD | CAE | NAF | H4 | 7.9° | 0.0° |
| OAH | CAE | NAF | CAG | 11.9° | 0.0° |
| OAH | CAE | NAD | H3 | 2.0° | 180.0° |
| OAH | CAE | NAF | H4 | 168.0° | 180.0° |
| CAE | NAF | CAG | H4 | 180.0° | 180.0° |
| CAE | NAF | CAG | NAJ | 1.7° | 180.0° |
| CAE | NAF | CAG | OAI | 172.5° | 0.0° |
| NAF | CAE | NAD | H3 | 173.9° | 0.0° |
| NAF | CAG | NAJ | OAI | 174.7° | 180.0° |
| NAF | CAG | NAJ | H5 | 174.6° | 0.0° |
| NAF | CAG | NAJ | H6 | 5.4° | 180.0° |
| NAJ | CAG | NAF | H4 | 178.3° | 0.0° |
| CAG | NAJ | H5 | H6 | 180.0° | 180.0° |
| OAI | CAG | NAF | H4 | 7.5° | 180.0° |
| OAI | CAG | NAJ | H5 | 0.0° | 180.0° |
| OAI | CAG | NAJ | H6 | 180.0° | 0.0° |
