YRW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | NAI | doub | 1.32Å | 1.40Å | Aromatic |
| CAJ | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| NAG | CAF | sing | 1.39Å | 1.33Å | |
| NAI | CAH | sing | 1.32Å | 1.40Å | Aromatic |
| CAF | CAE | doub | 1.41Å | 1.39Å | Aromatic |
| CAH | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAB | sing | 1.48Å | 1.39Å | |
| OAC | CAB | doub | 1.22Å | 1.23Å | |
| CAB | NAA | sing | 1.35Å | 1.33Å | |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| NAA | H4 | sing | 0.97Å | 1.00Å | |
| NAA | H5 | sing | 0.97Å | 1.00Å | |
| NAG | H6 | sing | 0.97Å | 1.00Å | |
| NAG | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAI | CAJ | CAF | 119.3° | 120.7° |
| CAJ | NAI | CAH | 119.4° | 122.2° |
| NAI | CAJ | H3 | 120.4° | 119.7° |
| CAJ | CAF | NAG | 122.1° | 120.6° |
| CAJ | CAF | CAE | 121.4° | 118.8° |
| CAF | CAJ | H3 | 120.3° | 119.6° |
| NAG | CAF | CAE | 116.5° | 120.6° |
| CAF | NAG | H6 | 109.5° | 120.0° |
| CAF | NAG | H7 | 109.4° | 119.9° |
| NAI | CAH | CAD | 120.4° | 121.1° |
| NAI | CAH | H2 | 119.8° | 119.4° |
| CAF | CAE | CAD | 119.3° | 118.1° |
| CAF | CAE | CAB | 120.4° | 121.0° |
| CAH | CAD | CAE | 120.1° | 119.1° |
| CAH | CAD | H1 | 119.9° | 120.5° |
| CAD | CAH | H2 | 119.8° | 119.4° |
| CAD | CAE | CAB | 120.3° | 120.9° |
| CAE | CAD | H1 | 119.9° | 120.5° |
| CAE | CAB | OAC | 121.4° | 120.0° |
| CAE | CAB | NAA | 115.3° | 120.0° |
| OAC | CAB | NAA | 123.3° | 120.0° |
| CAB | NAA | H4 | 120.0° | 120.0° |
| CAB | NAA | H5 | 120.0° | 120.0° |
| H4 | NAA | H5 | 120.0° | 120.0° |
| H6 | NAG | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAI | CAJ | CAF | H3 | 180.0° | 179.7° |
| NAI | CAJ | CAF | NAG | 179.8° | 179.7° |
| NAI | CAJ | CAF | CAE | 0.2° | 0.3° |
| CAJ | NAI | CAH | CAD | 0.1° | 0.1° |
| CAJ | NAI | CAH | H2 | 179.8° | 180.0° |
| CAJ | CAF | NAG | CAE | 179.9° | 180.0° |
| CAF | CAJ | NAI | CAH | 0.2° | 0.4° |
| CAJ | CAF | CAE | CAD | 0.2° | 0.0° |
| CAJ | CAF | CAE | CAB | 179.8° | 179.9° |
| CAJ | CAF | NAG | H6 | 180.0° | 174.6° |
| CAJ | CAF | NAG | H7 | 60.0° | 5.4° |
| NAG | CAF | CAE | CAD | 179.8° | 179.9° |
| NAG | CAF | CAE | CAB | 0.3° | 0.0° |
| NAG | CAF | CAJ | H3 | 0.2° | 0.1° |
| CAF | NAG | H6 | H7 | 120.0° | 180.0° |
| NAI | CAH | CAD | H2 | 180.0° | 179.9° |
| NAI | CAH | CAD | CAE | 0.2° | 0.3° |
| NAI | CAH | CAD | H1 | 179.8° | 179.9° |
| CAH | NAI | CAJ | H3 | 179.8° | 180.0° |
| CAF | CAE | CAD | CAH | 0.2° | 0.3° |
| CAF | CAE | CAD | CAB | 179.5° | 179.9° |
| CAF | CAE | CAB | OAC | 3.6° | 5.8° |
| CAF | CAE | CAB | NAA | 176.1° | 174.5° |
| CAF | CAE | CAD | H1 | 179.8° | 179.9° |
| CAE | CAF | CAJ | H3 | 179.8° | 180.0° |
| CAE | CAF | NAG | H6 | 0.1° | 5.4° |
| CAE | CAF | NAG | H7 | 119.9° | 174.6° |
| CAH | CAD | CAE | H1 | 180.0° | 179.6° |
| CAH | CAD | CAE | CAB | 179.7° | 179.8° |
| CAD | CAE | CAB | OAC | 176.9° | 174.3° |
| CAD | CAE | CAB | NAA | 3.4° | 5.4° |
| CAE | CAD | CAH | H2 | 179.8° | 179.7° |
| CAE | CAB | OAC | NAA | 179.6° | 179.7° |
| CAB | CAE | CAD | H1 | 0.3° | 0.2° |
| CAE | CAB | NAA | H4 | 179.6° | 0.0° |
| CAE | CAB | NAA | H5 | 0.4° | 180.0° |
| OAC | CAB | NAA | H4 | 0.0° | 179.8° |
| OAC | CAB | NAA | H5 | 180.0° | 0.2° |
| CAB | NAA | H4 | H5 | 180.0° | 180.0° |
| H1 | CAD | CAH | H2 | 0.2° | 0.0° |
