A1H0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAG | CAE | sing | 1.39Å | 1.34Å | Aromatic |
| NAG | CAH | sing | 1.37Å | 1.36Å | Aromatic |
| CAE | CAD | doub | 1.39Å | 1.37Å | Aromatic |
| CAE | CAF | sing | 1.41Å | 1.36Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAB | doub | 1.39Å | 1.41Å | Aromatic |
| CAB | CLAO | sing | 1.74Å | 1.85Å | |
| CAB | CAA | sing | 1.38Å | 1.41Å | Aromatic |
| CAA | CAF | doub | 1.40Å | 1.36Å | Aromatic |
| CAF | NAI | sing | 1.36Å | 1.37Å | Aromatic |
| NAI | CAH | doub | 1.31Å | 1.36Å | Aromatic |
| CAH | NAJ | sing | 1.38Å | 1.35Å | |
| NAJ | CAK | sing | 1.38Å | 1.35Å | |
| CAK | NAM | doub | 1.30Å | 1.37Å | |
| CAK | NAL | sing | 1.37Å | 1.36Å | |
| CAC | CLAN | sing | 1.74Å | 1.92Å | |
| NAG | H1 | sing | 0.97Å | 1.00Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.08Å | 1.08Å | |
| NAJ | H5 | sing | 0.97Å | 1.00Å | |
| NAM | H6 | sing | 0.97Å | 1.00Å | |
| NAL | H7 | sing | 0.97Å | 1.00Å | |
| NAL | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | NAG | CAH | 106.9° | 107.2° |
| NAG | CAE | CAD | 129.7° | 133.9° |
| NAG | CAE | CAF | 109.2° | 106.1° |
| CAE | NAG | H1 | 126.6° | 126.4° |
| NAG | CAH | NAI | 109.8° | 109.9° |
| NAG | CAH | NAJ | 123.3° | 125.1° |
| CAH | NAG | H1 | 126.6° | 126.4° |
| CAD | CAE | CAF | 121.0° | 120.0° |
| CAE | CAD | CAC | 122.0° | 119.9° |
| CAE | CAD | H2 | 119.0° | 120.1° |
| CAE | CAF | CAA | 119.2° | 119.5° |
| CAE | CAF | NAI | 107.8° | 107.1° |
| CAD | CAC | CAB | 117.1° | 120.4° |
| CAD | CAC | CLAN | 118.7° | 119.8° |
| CAC | CAD | H2 | 119.0° | 120.1° |
| CAC | CAB | CLAO | 120.1° | 119.8° |
| CAC | CAB | CAA | 119.1° | 120.4° |
| CAB | CAC | CLAN | 124.2° | 119.8° |
| CLAO | CAB | CAA | 120.7° | 119.8° |
| CAB | CAA | CAF | 121.6° | 119.8° |
| CAB | CAA | H3 | 119.2° | 120.1° |
| CAA | CAF | NAI | 133.0° | 133.4° |
| CAF | CAA | H3 | 119.2° | 120.1° |
| CAF | NAI | CAH | 106.2° | 109.6° |
| NAI | CAH | NAJ | 126.7° | 125.0° |
| CAH | NAJ | CAK | 125.4° | 120.0° |
| CAH | NAJ | H5 | 117.3° | 120.1° |
| NAJ | CAK | NAM | 120.4° | 120.0° |
| NAJ | CAK | NAL | 118.7° | 120.0° |
| CAK | NAJ | H5 | 117.3° | 119.9° |
| NAM | CAK | NAL | 120.7° | 120.0° |
| CAK | NAM | H6 | 112.0° | 120.0° |
| CAK | NAL | H7 | 120.0° | 120.0° |
| CAK | NAL | H8 | 120.0° | 120.0° |
| H7 | NAL | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | NAG | CAH | H1 | 180.0° | 179.8° |
| NAG | CAE | CAD | CAF | 179.7° | 180.0° |
| NAG | CAE | CAD | CAC | 180.0° | 180.0° |
| NAG | CAE | CAF | CAA | 179.7° | 180.0° |
| NAG | CAE | CAF | NAI | 0.2° | 0.0° |
| CAE | NAG | CAH | NAI | 2.3° | 0.0° |
| CAE | NAG | CAH | NAJ | 178.0° | 179.9° |
| NAG | CAE | CAD | H2 | 0.0° | 0.0° |
| CAH | NAG | CAE | CAD | 178.5° | 180.0° |
| CAH | NAG | CAE | CAF | 1.3° | 0.0° |
| NAG | CAH | NAI | CAF | 2.4° | 0.0° |
| NAG | CAH | NAI | NAJ | 175.5° | 179.9° |
| NAG | CAH | NAJ | CAK | 169.4° | 0.0° |
| NAG | CAH | NAJ | H5 | 10.6° | 180.0° |
| CAE | CAD | CAC | H2 | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.6° | 0.0° |
| CAD | CAE | CAF | CAA | 0.5° | 0.0° |
| CAD | CAE | CAF | NAI | 180.0° | 180.0° |
| CAE | CAD | CAC | CLAN | 179.8° | 180.0° |
| CAD | CAE | NAG | H1 | 1.6° | 0.2° |
| CAF | CAE | CAD | CAC | 0.3° | 0.0° |
| CAE | CAF | CAA | CAB | 0.2° | 0.0° |
| CAE | CAF | CAA | NAI | 179.4° | 179.9° |
| CAE | CAF | NAI | CAH | 1.6° | 0.0° |
| CAF | CAE | NAG | H1 | 178.7° | 179.8° |
| CAF | CAE | CAD | H2 | 179.8° | 180.0° |
| CAE | CAF | CAA | H3 | 179.8° | 180.0° |
| CAD | CAC | CAB | CLAN | 179.1° | 179.9° |
| CAD | CAC | CAB | CLAO | 179.8° | 180.0° |
| CAD | CAC | CAB | CAA | 1.3° | 0.0° |
| CAC | CAB | CLAO | CAA | 178.5° | 180.0° |
| CAC | CAB | CAA | CAF | 1.1° | 0.0° |
| CAB | CAC | CAD | H2 | 179.3° | 180.0° |
| CAC | CAB | CAA | H3 | 178.9° | 180.0° |
| CLAO | CAB | CAA | CAF | 179.6° | 180.0° |
| CLAO | CAB | CAC | CLAN | 1.1° | 0.0° |
| CLAO | CAB | CAA | H3 | 0.4° | 0.0° |
| CAB | CAA | CAF | H3 | 180.0° | 180.0° |
| CAB | CAA | CAF | NAI | 179.2° | 180.0° |
| CAA | CAB | CAC | CLAN | 179.6° | 180.0° |
| CAA | CAF | NAI | CAH | 179.0° | 179.9° |
| CAF | NAI | CAH | NAJ | 177.9° | 179.9° |
| NAI | CAF | CAA | H3 | 0.8° | 0.1° |
| NAI | CAH | NAJ | CAK | 5.6° | 179.9° |
| NAI | CAH | NAG | H1 | 177.6° | 179.8° |
| NAI | CAH | NAJ | H5 | 174.5° | 0.1° |
| CAH | NAJ | CAK | H5 | 180.0° | 180.0° |
| CAH | NAJ | CAK | NAM | 169.7° | 0.1° |
| CAH | NAJ | CAK | NAL | 5.8° | 180.0° |
| NAJ | CAH | NAG | H1 | 2.0° | 0.2° |
| NAJ | CAK | NAM | NAL | 175.4° | 179.9° |
| NAJ | CAK | NAM | H6 | 175.4° | 180.0° |
| NAJ | CAK | NAL | H7 | 175.5° | 0.1° |
| NAJ | CAK | NAL | H8 | 4.5° | 180.0° |
| NAM | CAK | NAJ | H5 | 10.3° | 179.9° |
| NAM | CAK | NAL | H7 | 0.0° | 180.0° |
| NAM | CAK | NAL | H8 | 180.0° | 0.1° |
| NAL | CAK | NAJ | H5 | 174.2° | 0.0° |
| NAL | CAK | NAM | H6 | 0.0° | 0.1° |
| CAK | NAL | H7 | H8 | 180.0° | 179.9° |
| CLAN | CAC | CAD | H2 | 0.2° | 0.0° |
