A1H0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAL | CAK | doub | 1.30Å | 1.36Å | |
| NAG | CAE | sing | 1.36Å | 1.33Å | Aromatic |
| NAG | CAH | doub | 1.31Å | 1.36Å | Aromatic |
| CAD | CAE | doub | 1.40Å | 1.34Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.41Å | Aromatic |
| CAK | NAM | sing | 1.37Å | 1.35Å | |
| CAK | NAJ | sing | 1.38Å | 1.34Å | |
| OAN | CAC | sing | 1.36Å | 1.38Å | |
| OAN | CAO | sing | 1.43Å | 1.45Å | |
| CAE | CAB | sing | 1.41Å | 1.36Å | Aromatic |
| CAC | CAA | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | NAJ | sing | 1.38Å | 1.33Å | |
| CAH | NAI | sing | 1.36Å | 1.32Å | Aromatic |
| CAB | NAI | sing | 1.39Å | 1.34Å | Aromatic |
| CAB | CAF | doub | 1.39Å | 1.36Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAA | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| NAI | H7 | sing | 0.97Å | 1.00Å | |
| NAJ | H9 | sing | 0.97Å | 1.00Å | |
| NAM | H10 | sing | 0.97Å | 1.00Å | |
| NAM | H11 | sing | 0.97Å | 1.00Å | |
| NAL | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAL | CAK | NAM | 122.8° | 120.0° |
| NAL | CAK | NAJ | 117.4° | 120.0° |
| CAK | NAL | H12 | 112.0° | 119.9° |
| CAE | NAG | CAH | 105.4° | 109.7° |
| NAG | CAE | CAD | 131.2° | 133.4° |
| NAG | CAE | CAB | 108.5° | 107.1° |
| NAG | CAH | NAJ | 127.6° | 125.0° |
| NAG | CAH | NAI | 111.4° | 109.9° |
| CAE | CAD | CAC | 120.1° | 119.8° |
| CAD | CAE | CAB | 120.3° | 119.5° |
| CAE | CAD | H4 | 119.9° | 120.2° |
| CAD | CAC | OAN | 120.0° | 119.8° |
| CAD | CAC | CAA | 120.0° | 120.4° |
| CAC | CAD | H4 | 120.0° | 120.1° |
| NAM | CAK | NAJ | 119.7° | 120.0° |
| CAK | NAM | H10 | 120.0° | 120.0° |
| CAK | NAM | H11 | 120.0° | 120.0° |
| CAK | NAJ | CAH | 125.2° | 120.0° |
| CAK | NAJ | H9 | 117.4° | 120.0° |
| CAC | OAN | CAO | 112.7° | 117.0° |
| OAN | CAC | CAA | 120.0° | 119.8° |
| OAN | CAO | H1 | 109.5° | 109.5° |
| OAN | CAO | H2 | 109.5° | 109.5° |
| OAN | CAO | H3 | 109.5° | 109.5° |
| CAE | CAB | NAI | 108.5° | 106.1° |
| CAE | CAB | CAF | 122.3° | 120.0° |
| CAC | CAA | CAF | 117.6° | 120.3° |
| CAC | CAA | H5 | 121.2° | 119.8° |
| NAJ | CAH | NAI | 120.8° | 125.1° |
| CAH | NAJ | H9 | 117.4° | 120.0° |
| CAH | NAI | CAB | 106.1° | 107.2° |
| CAH | NAI | H7 | 126.9° | 126.4° |
| NAI | CAB | CAF | 129.1° | 133.9° |
| CAB | NAI | H7 | 126.9° | 126.4° |
| CAB | CAF | CAA | 119.7° | 120.0° |
| CAB | CAF | H6 | 120.2° | 120.0° |
| CAF | CAA | H5 | 121.2° | 119.9° |
| CAA | CAF | H6 | 120.2° | 120.0° |
| H1 | CAO | H2 | 109.4° | 109.5° |
| H1 | CAO | H3 | 109.5° | 109.4° |
| H2 | CAO | H3 | 109.5° | 109.5° |
| H10 | NAM | H11 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAL | CAK | NAM | NAJ | 178.0° | 180.0° |
| NAL | CAK | NAJ | CAH | 6.4° | 157.4° |
| NAL | CAK | NAJ | H9 | 173.6° | 22.7° |
| NAL | CAK | NAM | H10 | 178.0° | 163.4° |
| NAL | CAK | NAM | H11 | 2.0° | 16.7° |
| NAG | CAE | CAD | CAB | 177.4° | 180.0° |
| NAG | CAE | CAD | CAC | 178.9° | 180.0° |
| CAE | NAG | CAH | NAJ | 176.9° | 180.0° |
| CAE | NAG | CAH | NAI | 1.2° | 0.5° |
| NAG | CAE | CAB | NAI | 1.5° | 0.1° |
| NAG | CAE | CAB | CAF | 179.5° | 179.7° |
| NAG | CAE | CAD | H4 | 1.1° | 0.1° |
| CAH | NAG | CAE | CAD | 179.3° | 179.7° |
| NAG | CAH | NAJ | CAK | 3.5° | 173.8° |
| CAH | NAG | CAE | CAB | 1.6° | 0.4° |
| NAG | CAH | NAJ | NAI | 175.4° | 179.4° |
| NAG | CAH | NAI | CAB | 0.2° | 0.5° |
| NAG | CAH | NAI | H7 | 179.7° | 179.4° |
| NAG | CAH | NAJ | H9 | 176.5° | 6.2° |
| CAE | CAD | CAC | H4 | 180.0° | 179.9° |
| CAE | CAD | CAC | OAN | 179.5° | 180.0° |
| CAE | CAD | CAC | CAA | 0.4° | 0.3° |
| CAD | CAE | CAB | NAI | 179.5° | 179.9° |
| CAD | CAE | CAB | CAF | 2.5° | 0.3° |
| CAD | CAC | OAN | CAA | 179.1° | 179.7° |
| CAD | CAC | OAN | CAO | 99.7° | 179.7° |
| CAC | CAD | CAE | CAB | 1.5° | 0.0° |
| CAD | CAC | CAA | CAF | 1.3° | 0.3° |
| CAD | CAC | CAA | H5 | 178.7° | 179.7° |
| NAM | CAK | NAJ | CAH | 175.5° | 22.5° |
| NAM | CAK | NAJ | H9 | 4.5° | 157.4° |
| CAK | NAM | H10 | H11 | 180.0° | 179.9° |
| NAM | CAK | NAL | H12 | 178.1° | 174.9° |
| CAK | NAJ | CAH | H9 | 180.0° | 179.9° |
| CAK | NAJ | CAH | NAI | 171.9° | 6.9° |
| NAJ | CAK | NAM | H10 | 0.0° | 16.6° |
| NAJ | CAK | NAM | H11 | 180.0° | 163.3° |
| NAJ | CAK | NAL | H12 | 0.0° | 5.1° |
| OAN | CAC | CAA | CAF | 179.6° | 180.0° |
| CAC | OAN | CAO | H1 | 180.0° | 180.0° |
| CAC | OAN | CAO | H2 | 60.0° | 60.0° |
| CAC | OAN | CAO | H3 | 60.0° | 60.0° |
| OAN | CAC | CAD | H4 | 0.5° | 0.1° |
| OAN | CAC | CAA | H5 | 0.4° | 0.0° |
| CAO | OAN | CAC | CAA | 81.2° | 0.0° |
| OAN | CAO | H1 | H2 | 120.0° | 120.0° |
| OAN | CAO | H1 | H3 | 120.0° | 120.0° |
| OAN | CAO | H2 | H3 | 120.0° | 120.0° |
| CAE | CAB | NAI | CAH | 0.8° | 0.2° |
| CAE | CAB | NAI | CAF | 177.8° | 179.8° |
| CAE | CAB | CAF | CAA | 1.5° | 0.3° |
| CAB | CAE | CAD | H4 | 178.5° | 179.9° |
| CAE | CAB | CAF | H6 | 178.5° | 179.8° |
| CAE | CAB | NAI | H7 | 179.2° | 179.7° |
| CAC | CAA | CAF | CAB | 0.4° | 0.0° |
| CAC | CAA | CAF | H5 | 180.0° | 180.0° |
| CAA | CAC | CAD | H4 | 179.6° | 179.8° |
| CAC | CAA | CAF | H6 | 179.6° | 180.0° |
| NAJ | CAH | NAI | CAB | 176.3° | 179.9° |
| NAJ | CAH | NAI | H7 | 3.7° | 0.0° |
| CAH | NAI | CAB | H7 | 180.0° | 179.9° |
| CAH | NAI | CAB | CAF | 178.6° | 180.0° |
| NAI | CAH | NAJ | H9 | 8.1° | 173.2° |
| NAI | CAB | CAF | CAA | 179.1° | 180.0° |
| NAI | CAB | CAF | H6 | 0.9° | 0.0° |
| CAB | CAF | CAA | H6 | 180.0° | 179.9° |
| CAB | CAF | CAA | H5 | 179.6° | 180.0° |
| CAF | CAB | NAI | H7 | 1.4° | 0.1° |
| H1 | CAO | H2 | H3 | 120.0° | 120.0° |
| H5 | CAA | CAF | H6 | 0.4° | 0.0° |
