OUW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAJ | doub | 1.21Å | 1.19Å | |
| CAJ | CAL | sing | 1.48Å | 1.52Å | |
| CAJ | NAH | sing | 1.35Å | 1.44Å | |
| CAA | NAH | sing | 1.47Å | 1.45Å | |
| CAL | CAF | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | NAG | sing | 1.33Å | 1.32Å | Aromatic |
| CAF | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| NAG | CAD | doub | 1.32Å | 1.32Å | Aromatic |
| CAB | NAI | sing | 1.47Å | 1.45Å | |
| CAD | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAE | doub | 1.39Å | 1.38Å | Aromatic |
| CAK | NAI | sing | 1.39Å | 1.45Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| NAH | H10 | sing | 0.97Å | 1.00Å | |
| NAI | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAJ | CAL | 119.6° | 120.0° |
| OAC | CAJ | NAH | 121.7° | 120.0° |
| CAL | CAJ | NAH | 118.7° | 120.0° |
| CAJ | CAL | CAF | 119.2° | 119.7° |
| CAJ | CAL | NAG | 118.6° | 119.7° |
| CAJ | NAH | CAA | 120.3° | 120.0° |
| CAJ | NAH | H10 | 119.9° | 120.1° |
| NAH | CAA | H1 | 109.5° | 109.5° |
| NAH | CAA | H2 | 109.5° | 109.5° |
| NAH | CAA | H3 | 109.5° | 109.5° |
| CAA | NAH | H10 | 119.9° | 119.9° |
| CAF | CAL | NAG | 122.2° | 120.6° |
| CAL | CAF | CAK | 118.1° | 119.0° |
| CAL | CAF | H9 | 121.0° | 120.5° |
| CAL | NAG | CAD | 121.0° | 121.8° |
| CAF | CAK | CAE | 118.2° | 118.3° |
| CAF | CAK | NAI | 120.7° | 120.9° |
| CAK | CAF | H9 | 120.9° | 120.5° |
| NAG | CAD | CAE | 120.4° | 121.0° |
| NAG | CAD | H7 | 119.8° | 119.5° |
| CAB | NAI | CAK | 118.8° | 120.0° |
| NAI | CAB | H4 | 109.5° | 109.5° |
| NAI | CAB | H5 | 109.5° | 109.4° |
| NAI | CAB | H6 | 109.5° | 109.4° |
| CAB | NAI | H11 | 107.1° | 119.9° |
| CAD | CAE | CAK | 120.1° | 119.3° |
| CAE | CAD | H7 | 119.8° | 119.5° |
| CAD | CAE | H8 | 119.9° | 120.4° |
| CAE | CAK | NAI | 121.1° | 120.8° |
| CAK | CAE | H8 | 120.0° | 120.3° |
| CAK | NAI | H11 | 107.1° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAJ | CAL | NAH | 179.2° | 180.0° |
| OAC | CAJ | NAH | CAA | 0.6° | 0.0° |
| OAC | CAJ | CAL | CAF | 31.0° | 0.0° |
| OAC | CAJ | CAL | NAG | 149.4° | 179.3° |
| OAC | CAJ | NAH | H10 | 179.4° | 180.0° |
| CAL | CAJ | NAH | CAA | 179.8° | 180.0° |
| CAJ | CAL | CAF | NAG | 179.6° | 179.2° |
| CAJ | CAL | CAF | CAK | 179.9° | 180.0° |
| CAJ | CAL | NAG | CAD | 179.8° | 179.8° |
| CAJ | CAL | CAF | H9 | 0.0° | 0.5° |
| CAL | CAJ | NAH | H10 | 0.2° | 0.1° |
| CAJ | NAH | CAA | H10 | 180.0° | 179.9° |
| NAH | CAJ | CAL | CAF | 149.8° | 180.0° |
| NAH | CAJ | CAL | NAG | 29.8° | 0.8° |
| CAJ | NAH | CAA | H1 | 180.0° | 180.0° |
| CAJ | NAH | CAA | H2 | 60.0° | 60.0° |
| CAJ | NAH | CAA | H3 | 60.0° | 60.0° |
| NAH | CAA | H1 | H2 | 120.0° | 120.0° |
| NAH | CAA | H1 | H3 | 120.0° | 120.0° |
| NAH | CAA | H2 | H3 | 120.0° | 120.0° |
| CAL | CAF | CAK | H9 | 180.0° | 179.5° |
| CAF | CAL | NAG | CAD | 0.2° | 0.5° |
| CAL | CAF | CAK | CAE | 0.2° | 0.5° |
| CAL | CAF | CAK | NAI | 179.8° | 179.5° |
| NAG | CAL | CAF | CAK | 0.4° | 0.8° |
| CAL | NAG | CAD | CAE | 0.1° | 0.1° |
| CAL | NAG | CAD | H7 | 179.9° | 179.7° |
| NAG | CAL | CAF | H9 | 179.6° | 179.8° |
| CAF | CAK | NAI | CAB | 9.3° | 180.0° |
| CAF | CAK | CAE | CAD | 0.1° | 0.0° |
| CAF | CAK | CAE | NAI | 180.0° | 180.0° |
| CAF | CAK | CAE | H8 | 179.9° | 180.0° |
| CAF | CAK | NAI | H11 | 112.1° | 0.0° |
| NAG | CAD | CAE | H7 | 180.0° | 179.8° |
| NAG | CAD | CAE | CAK | 0.3° | 0.2° |
| NAG | CAD | CAE | H8 | 179.7° | 179.8° |
| CAB | NAI | CAK | CAE | 170.7° | 0.0° |
| CAB | NAI | CAK | H11 | 121.3° | 180.0° |
| NAI | CAB | H4 | H5 | 120.0° | 120.0° |
| NAI | CAB | H4 | H6 | 120.0° | 120.0° |
| NAI | CAB | H5 | H6 | 120.0° | 119.9° |
| CAD | CAE | CAK | H8 | 180.0° | 180.0° |
| CAD | CAE | CAK | NAI | 179.9° | 180.0° |
| CAK | CAE | CAD | H7 | 179.7° | 180.0° |
| CAE | CAK | CAF | H9 | 179.8° | 180.0° |
| CAE | CAK | NAI | H11 | 67.9° | 180.0° |
| CAK | NAI | CAB | H4 | 180.0° | 180.0° |
| CAK | NAI | CAB | H5 | 60.0° | 60.0° |
| CAK | NAI | CAB | H6 | 60.0° | 60.0° |
| NAI | CAK | CAE | H8 | 0.1° | 0.0° |
| NAI | CAK | CAF | H9 | 0.2° | 0.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | NAH | H10 | 0.0° | 0.0° |
| H2 | CAA | NAH | H10 | 120.0° | 119.9° |
| H3 | CAA | NAH | H10 | 120.0° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.1° |
| H4 | CAB | NAI | H11 | 58.7° | 0.0° |
| H5 | CAB | NAI | H11 | 61.3° | 120.0° |
| H6 | CAB | NAI | H11 | 178.7° | 120.0° |
| H7 | CAD | CAE | H8 | 0.3° | 0.0° |
