A1H0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLAH | CAE | sing | 1.74Å | 1.80Å | |
| NAN | CAM | doub | 1.30Å | 1.36Å | |
| CAE | CAF | doub | 1.40Å | 1.33Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| NAI | CAF | sing | 1.36Å | 1.34Å | Aromatic |
| NAI | CAJ | doub | 1.31Å | 1.34Å | Aromatic |
| CAM | NAO | sing | 1.37Å | 1.33Å | |
| CAM | NAL | sing | 1.38Å | 1.33Å | |
| CAF | CAC | sing | 1.40Å | 1.36Å | Aromatic |
| CAD | CAA | doub | 1.39Å | 1.38Å | Aromatic |
| CAJ | NAL | sing | 1.38Å | 1.33Å | |
| CAJ | NAK | sing | 1.37Å | 1.33Å | Aromatic |
| CAC | NAK | sing | 1.38Å | 1.34Å | Aromatic |
| CAC | CAG | doub | 1.39Å | 1.34Å | Aromatic |
| CAA | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CLAB | sing | 1.74Å | 1.79Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| NAK | H4 | sing | 0.97Å | 1.00Å | |
| NAL | H5 | sing | 0.97Å | 1.00Å | |
| NAO | H6 | sing | 0.97Å | 1.00Å | |
| NAO | H7 | sing | 0.97Å | 1.00Å | |
| NAN | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLAH | CAE | CAF | 119.1° | 120.1° |
| CLAH | CAE | CAD | 120.3° | 120.2° |
| NAN | CAM | NAO | 120.0° | 120.0° |
| NAN | CAM | NAL | 121.0° | 120.0° |
| CAM | NAN | H8 | 112.0° | 120.0° |
| CAF | CAE | CAD | 120.6° | 119.7° |
| CAE | CAF | NAI | 131.7° | 133.3° |
| CAE | CAF | CAC | 119.5° | 119.6° |
| CAE | CAD | CAA | 119.5° | 120.5° |
| CAE | CAD | H2 | 120.2° | 119.7° |
| CAF | NAI | CAJ | 106.4° | 109.6° |
| NAI | CAF | CAC | 108.8° | 107.1° |
| NAI | CAJ | NAL | 126.8° | 125.1° |
| NAI | CAJ | NAK | 110.1° | 109.9° |
| NAO | CAM | NAL | 119.0° | 120.0° |
| CAM | NAO | H6 | 120.0° | 120.0° |
| CAM | NAO | H7 | 120.0° | 120.0° |
| CAM | NAL | CAJ | 127.3° | 120.0° |
| CAM | NAL | H5 | 116.4° | 120.0° |
| CAF | CAC | NAK | 107.6° | 106.2° |
| CAF | CAC | CAG | 122.8° | 119.9° |
| CAD | CAA | CAG | 118.9° | 120.4° |
| CAD | CAA | CLAB | 119.8° | 119.8° |
| CAA | CAD | H2 | 120.3° | 119.8° |
| NAL | CAJ | NAK | 123.1° | 125.0° |
| CAJ | NAL | H5 | 116.3° | 120.0° |
| CAJ | NAK | CAC | 107.1° | 107.2° |
| CAJ | NAK | H4 | 126.5° | 126.4° |
| NAK | CAC | CAG | 129.7° | 133.9° |
| CAC | NAK | H4 | 126.5° | 126.4° |
| CAC | CAG | CAA | 118.7° | 119.8° |
| CAC | CAG | H3 | 120.6° | 120.0° |
| CAG | CAA | CLAB | 121.3° | 119.8° |
| CAA | CAG | H3 | 120.6° | 120.1° |
| H6 | NAO | H7 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLAH | CAE | CAF | CAD | 178.5° | 180.0° |
| CLAH | CAE | CAF | NAI | 1.2° | 0.1° |
| CLAH | CAE | CAF | CAC | 179.2° | 180.0° |
| CLAH | CAE | CAD | CAA | 178.6° | 180.0° |
| CLAH | CAE | CAD | H2 | 1.4° | 0.0° |
| NAN | CAM | NAO | NAL | 178.5° | 179.9° |
| NAN | CAM | NAL | CAJ | 1.7° | 157.2° |
| NAN | CAM | NAL | H5 | 178.3° | 22.7° |
| NAN | CAM | NAO | H6 | 178.5° | 161.8° |
| NAN | CAM | NAO | H7 | 1.5° | 18.2° |
| CAE | CAF | NAI | CAC | 179.6° | 180.0° |
| CAE | CAF | NAI | CAJ | 179.3° | 180.0° |
| CAF | CAE | CAD | CAA | 0.1° | 0.0° |
| CAE | CAF | CAC | NAK | 179.7° | 180.0° |
| CAE | CAF | CAC | CAG | 0.7° | 0.0° |
| CAF | CAE | CAD | H2 | 179.9° | 180.0° |
| CAD | CAE | CAF | NAI | 179.8° | 180.0° |
| CAD | CAE | CAF | CAC | 0.7° | 0.0° |
| CAE | CAD | CAA | H2 | 180.0° | 180.0° |
| CAE | CAD | CAA | CAG | 0.5° | 0.0° |
| CAE | CAD | CAA | CLAB | 180.0° | 180.0° |
| CAF | NAI | CAJ | NAL | 179.4° | 179.9° |
| CAF | NAI | CAJ | NAK | 0.6° | 0.0° |
| NAI | CAF | CAC | NAK | 0.1° | 0.0° |
| NAI | CAF | CAC | CAG | 179.6° | 180.0° |
| NAI | CAJ | NAL | CAM | 5.2° | 173.9° |
| CAJ | NAI | CAF | CAC | 0.3° | 0.0° |
| NAI | CAJ | NAL | NAK | 179.9° | 179.9° |
| NAI | CAJ | NAK | CAC | 0.7° | 0.0° |
| NAI | CAJ | NAK | H4 | 179.3° | 180.0° |
| NAI | CAJ | NAL | H5 | 174.8° | 6.2° |
| NAO | CAM | NAL | CAJ | 179.8° | 22.8° |
| NAO | CAM | NAL | H5 | 0.2° | 157.2° |
| CAM | NAO | H6 | H7 | 180.0° | 180.0° |
| NAO | CAM | NAN | H8 | 178.5° | 175.0° |
| CAM | NAL | CAJ | H5 | 180.0° | 179.9° |
| CAM | NAL | CAJ | NAK | 174.9° | 6.0° |
| NAL | CAM | NAO | H6 | 0.0° | 18.1° |
| NAL | CAM | NAO | H7 | 180.0° | 161.9° |
| NAL | CAM | NAN | H8 | 0.0° | 4.9° |
| CAF | CAC | NAK | CAJ | 0.5° | 0.0° |
| CAF | CAC | NAK | CAG | 179.5° | 179.9° |
| CAF | CAC | CAG | CAA | 0.2° | 0.0° |
| CAF | CAC | CAG | H3 | 179.8° | 180.0° |
| CAF | CAC | NAK | H4 | 179.5° | 180.0° |
| CAD | CAA | CAG | CAC | 0.4° | 0.0° |
| CAD | CAA | CAG | CLAB | 179.5° | 180.0° |
| CAD | CAA | CAG | H3 | 179.6° | 179.9° |
| NAL | CAJ | NAK | CAC | 179.4° | 179.9° |
| NAL | CAJ | NAK | H4 | 0.6° | 0.1° |
| CAJ | NAK | CAC | H4 | 180.0° | 180.0° |
| CAJ | NAK | CAC | CAG | 179.9° | 179.9° |
| NAK | CAJ | NAL | H5 | 5.1° | 173.9° |
| NAK | CAC | CAG | CAA | 179.6° | 179.9° |
| NAK | CAC | CAG | H3 | 0.4° | 0.1° |
| CAC | CAG | CAA | H3 | 180.0° | 179.9° |
| CAC | CAG | CAA | CLAB | 179.9° | 180.0° |
| CAG | CAC | NAK | H4 | 0.1° | 0.1° |
| CAG | CAA | CAD | H2 | 179.5° | 180.0° |
| CLAB | CAA | CAD | H2 | 0.0° | 0.0° |
| CLAB | CAA | CAG | H3 | 0.1° | 0.0° |
