UYT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAB | sing | 1.47Å | 1.40Å | |
| CAB | CAA | sing | 1.51Å | 1.51Å | |
| CAB | NAC | doub | 1.30Å | 1.34Å | |
| NAC | NAD | sing | 1.40Å | 1.36Å | |
| NAD | CAE | sing | 1.37Å | 1.35Å | |
| NAF | CAE | doub | 1.33Å | 1.34Å | |
| CAE | NAG | sing | 1.33Å | 1.33Å | |
| CAA | HAB | sing | 1.09Å | 1.10Å | |
| CAA | HAC | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAD | HAD | sing | 0.97Å | 1.00Å | |
| NAF | HAF | sing | 0.97Å | 1.00Å | |
| NAG | HAG | sing | 0.97Å | 1.00Å | |
| NAG | HAO | sing | 0.97Å | 1.00Å | |
| NAF | HAN | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAK | CAJ | 119.9° | 120.3° |
| CAK | CAL | CAM | 119.1° | 120.2° |
| CAL | CAK | HAK | 120.0° | 119.8° |
| CAK | CAL | HAL | 120.4° | 119.9° |
| CAK | CAJ | CAI | 120.6° | 120.2° |
| CAK | CAJ | HAJ | 119.7° | 119.9° |
| CAJ | CAK | HAK | 120.0° | 119.9° |
| CAL | CAM | CAH | 120.6° | 119.8° |
| CAM | CAL | HAL | 120.4° | 119.9° |
| CAL | CAM | HAM | 119.7° | 120.1° |
| CAJ | CAI | CAH | 119.5° | 119.8° |
| CAJ | CAI | HAI | 120.3° | 120.1° |
| CAI | CAJ | HAJ | 119.7° | 119.9° |
| CAM | CAH | CAI | 120.2° | 119.7° |
| CAM | CAH | CAB | 119.0° | 120.2° |
| CAH | CAM | HAM | 119.7° | 120.1° |
| CAI | CAH | CAB | 120.7° | 120.1° |
| CAH | CAI | HAI | 120.2° | 120.1° |
| CAH | CAB | CAA | 120.2° | 120.0° |
| CAH | CAB | NAC | 118.3° | 120.0° |
| CAA | CAB | NAC | 121.4° | 120.0° |
| CAB | CAA | HAB | 109.5° | 109.5° |
| CAB | CAA | HAC | 109.5° | 109.4° |
| CAB | CAA | HAA | 109.5° | 109.5° |
| CAB | NAC | NAD | 120.8° | 120.0° |
| NAC | NAD | CAE | 115.2° | 120.0° |
| NAC | NAD | HAD | 122.4° | 120.0° |
| NAD | CAE | NAF | 121.1° | 120.0° |
| NAD | CAE | NAG | 119.4° | 120.0° |
| CAE | NAD | HAD | 122.4° | 120.0° |
| NAF | CAE | NAG | 119.4° | 120.0° |
| CAE | NAF | HAF | 120.0° | 120.0° |
| CAE | NAF | HAN | 120.0° | 120.0° |
| CAE | NAG | HAG | 120.0° | 120.0° |
| CAE | NAG | HAO | 120.0° | 120.0° |
| HAB | CAA | HAC | 109.4° | 109.5° |
| HAB | CAA | HAA | 109.5° | 109.4° |
| HAC | CAA | HAA | 109.5° | 109.5° |
| HAF | NAF | HAN | 120.0° | 120.1° |
| HAG | NAG | HAO | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAK | CAJ | HAK | 180.0° | 179.7° |
| CAK | CAL | CAM | HAL | 180.0° | 179.8° |
| CAL | CAK | CAJ | CAI | 0.3° | 0.0° |
| CAK | CAL | CAM | CAH | 0.1° | 0.6° |
| CAL | CAK | CAJ | HAJ | 179.6° | 179.9° |
| CAK | CAL | CAM | HAM | 179.9° | 179.9° |
| CAJ | CAK | CAL | CAM | 1.0° | 0.2° |
| CAK | CAJ | CAI | HAJ | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAH | 1.5° | 0.0° |
| CAK | CAJ | CAI | HAI | 178.5° | 180.0° |
| CAJ | CAK | CAL | HAL | 178.9° | 179.9° |
| CAL | CAM | CAH | HAM | 180.0° | 179.4° |
| CAL | CAM | CAH | CAI | 1.9° | 0.6° |
| CAL | CAM | CAH | CAB | 177.8° | 179.7° |
| CAM | CAL | CAK | HAK | 178.9° | 180.0° |
| CAJ | CAI | CAH | CAM | 2.6° | 0.3° |
| CAJ | CAI | CAH | HAI | 180.0° | 180.0° |
| CAJ | CAI | CAH | CAB | 178.4° | 180.0° |
| CAI | CAJ | CAK | HAK | 179.6° | 179.7° |
| CAM | CAH | CAI | CAB | 175.8° | 179.7° |
| CAM | CAH | CAB | CAA | 21.7° | 0.3° |
| CAM | CAH | CAB | NAC | 154.8° | 179.7° |
| CAM | CAH | CAI | HAI | 177.3° | 179.7° |
| CAH | CAM | CAL | HAL | 180.0° | 179.6° |
| CAI | CAH | CAB | CAA | 162.5° | 180.0° |
| CAI | CAH | CAB | NAC | 21.0° | 0.0° |
| CAH | CAI | CAJ | HAJ | 178.5° | 180.0° |
| CAI | CAH | CAM | HAM | 178.1° | 180.0° |
| CAH | CAB | CAA | NAC | 176.4° | 180.0° |
| CAH | CAB | NAC | NAD | 177.6° | 180.0° |
| CAH | CAB | CAA | HAB | 180.0° | 90.0° |
| CAH | CAB | CAA | HAC | 60.0° | 30.0° |
| CAH | CAB | CAA | HAA | 60.0° | 150.0° |
| CAB | CAH | CAI | HAI | 1.5° | 0.0° |
| CAB | CAH | CAM | HAM | 2.2° | 0.3° |
| CAA | CAB | NAC | NAD | 1.2° | 0.0° |
| CAB | CAA | HAB | HAC | 120.0° | 120.0° |
| CAB | CAA | HAB | HAA | 120.0° | 120.0° |
| CAB | CAA | HAC | HAA | 120.0° | 120.0° |
| CAB | NAC | NAD | CAE | 177.7° | 179.9° |
| NAC | CAB | CAA | HAB | 3.6° | 90.0° |
| NAC | CAB | CAA | HAC | 116.4° | 149.9° |
| NAC | CAB | CAA | HAA | 123.7° | 30.0° |
| CAB | NAC | NAD | HAD | 2.3° | 0.0° |
| NAC | NAD | CAE | HAD | 180.0° | 179.9° |
| NAC | NAD | CAE | NAF | 1.4° | 180.0° |
| NAC | NAD | CAE | NAG | 176.4° | 0.0° |
| NAD | CAE | NAF | NAG | 177.8° | 180.0° |
| NAD | CAE | NAF | HAF | 177.8° | 180.0° |
| NAD | CAE | NAG | HAG | 177.8° | 0.0° |
| NAD | CAE | NAG | HAO | 2.2° | 180.0° |
| NAD | CAE | NAF | HAN | 2.2° | 0.1° |
| NAF | CAE | NAD | HAD | 178.6° | 0.1° |
| CAE | NAF | HAF | HAN | 180.0° | 179.9° |
| NAF | CAE | NAG | HAG | 0.0° | 180.0° |
| NAF | CAE | NAG | HAO | 180.0° | 0.0° |
| NAG | CAE | NAD | HAD | 3.6° | 180.0° |
| NAG | CAE | NAF | HAF | 0.0° | 0.0° |
| CAE | NAG | HAG | HAO | 180.0° | 180.0° |
| NAG | CAE | NAF | HAN | 180.0° | 180.0° |
| HAB | CAA | HAC | HAA | 120.0° | 120.0° |
| HAI | CAI | CAJ | HAJ | 1.5° | 0.1° |
| HAJ | CAJ | CAK | HAK | 0.4° | 0.3° |
| HAK | CAK | CAL | HAL | 1.1° | 0.2° |
| HAL | CAL | CAM | HAM | 0.0° | 0.2° |
