1A7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.48Å | 1.49Å | |
| CAJ | FAB | sing | 1.35Å | 1.32Å | |
| NAH | CAK | sing | 1.37Å | 1.50Å | |
| NAH | CAM | sing | 1.34Å | 1.46Å | |
| CAK | CAG | doub | 1.34Å | 1.40Å | |
| OAA | CAM | doub | 1.22Å | 1.36Å | |
| CAM | SAI | sing | 1.77Å | 1.64Å | |
| CAG | SAI | sing | 1.77Å | 1.55Å | |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| NAH | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAF | 119.5° | 120.2° |
| CAD | CAC | CAE | 119.6° | 120.3° |
| CAD | CAC | H2 | 120.2° | 119.8° |
| CAC | CAD | H3 | 120.3° | 119.9° |
| CAD | CAF | CAL | 121.3° | 119.9° |
| CAF | CAD | H3 | 120.3° | 119.9° |
| CAD | CAF | H4 | 119.3° | 120.1° |
| CAC | CAE | CAJ | 120.7° | 120.1° |
| CAC | CAE | H1 | 119.7° | 120.0° |
| CAE | CAC | H2 | 120.2° | 119.9° |
| CAF | CAL | CAJ | 118.9° | 119.7° |
| CAF | CAL | CAK | 117.1° | 120.1° |
| CAL | CAF | H4 | 119.3° | 120.1° |
| CAE | CAJ | CAL | 120.0° | 119.8° |
| CAE | CAJ | FAB | 119.3° | 120.1° |
| CAJ | CAE | H1 | 119.7° | 119.9° |
| CAJ | CAL | CAK | 124.0° | 120.2° |
| CAL | CAJ | FAB | 120.6° | 120.1° |
| CAL | CAK | NAH | 118.7° | 121.3° |
| CAL | CAK | CAG | 130.3° | 121.2° |
| CAK | NAH | CAM | 108.1° | 117.4° |
| NAH | CAK | CAG | 111.0° | 117.5° |
| CAK | NAH | H6 | 125.9° | 121.3° |
| NAH | CAM | OAA | 122.3° | 127.4° |
| NAH | CAM | SAI | 108.4° | 105.3° |
| CAM | NAH | H6 | 126.0° | 121.3° |
| CAK | CAG | SAI | 111.8° | 105.4° |
| CAK | CAG | H5 | 124.1° | 127.4° |
| OAA | CAM | SAI | 129.3° | 127.3° |
| CAM | SAI | CAG | 100.7° | 94.5° |
| SAI | CAG | H5 | 124.1° | 127.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAF | H3 | 180.0° | 180.0° |
| CAD | CAC | CAE | H2 | 180.0° | 180.0° |
| CAC | CAD | CAF | CAL | 0.2° | 0.3° |
| CAD | CAC | CAE | CAJ | 0.0° | 0.0° |
| CAD | CAC | CAE | H1 | 180.0° | 180.0° |
| CAC | CAD | CAF | H4 | 179.8° | 179.9° |
| CAF | CAD | CAC | CAE | 0.1° | 0.0° |
| CAD | CAF | CAL | H4 | 180.0° | 179.8° |
| CAD | CAF | CAL | CAJ | 0.1° | 0.6° |
| CAD | CAF | CAL | CAK | 180.0° | 180.0° |
| CAF | CAD | CAC | H2 | 179.9° | 180.0° |
| CAC | CAE | CAJ | H1 | 180.0° | 180.0° |
| CAC | CAE | CAJ | CAL | 0.0° | 0.3° |
| CAC | CAE | CAJ | FAB | 179.3° | 180.0° |
| CAE | CAC | CAD | H3 | 180.0° | 180.0° |
| CAF | CAL | CAJ | CAE | 0.1° | 0.6° |
| CAF | CAL | CAJ | CAK | 179.9° | 179.4° |
| CAF | CAL | CAJ | FAB | 179.2° | 179.7° |
| CAF | CAL | CAK | NAH | 8.1° | 0.3° |
| CAF | CAL | CAK | CAG | 171.3° | 180.0° |
| CAL | CAF | CAD | H3 | 179.9° | 179.7° |
| CAE | CAJ | CAL | FAB | 179.2° | 179.7° |
| CAE | CAJ | CAL | CAK | 179.9° | 180.0° |
| CAJ | CAE | CAC | H2 | 180.0° | 180.0° |
| CAJ | CAL | CAK | NAH | 172.0° | 179.1° |
| CAJ | CAL | CAK | CAG | 8.5° | 0.5° |
| CAL | CAJ | CAE | H1 | 180.0° | 179.7° |
| CAJ | CAL | CAF | H4 | 179.8° | 179.6° |
| CAK | CAL | CAJ | FAB | 0.7° | 0.3° |
| CAL | CAK | NAH | CAG | 179.5° | 179.7° |
| CAL | CAK | NAH | CAM | 180.0° | 179.8° |
| CAL | CAK | CAG | SAI | 180.0° | 180.0° |
| CAK | CAL | CAF | H4 | 0.0° | 0.2° |
| CAL | CAK | CAG | H5 | 0.0° | 0.0° |
| CAL | CAK | NAH | H6 | 0.0° | 0.0° |
| FAB | CAJ | CAE | H1 | 0.7° | 0.0° |
| CAK | NAH | CAM | H6 | 180.0° | 179.8° |
| CAK | NAH | CAM | OAA | 179.9° | 179.8° |
| CAK | NAH | CAM | SAI | 0.1° | 0.5° |
| NAH | CAK | CAG | SAI | 0.6° | 0.3° |
| NAH | CAK | CAG | H5 | 179.4° | 179.7° |
| CAM | NAH | CAK | CAG | 0.4° | 0.6° |
| NAH | CAM | OAA | SAI | 179.7° | 179.7° |
| NAH | CAM | SAI | CAG | 0.2° | 0.3° |
| CAK | CAG | SAI | CAM | 0.5° | 0.0° |
| CAK | CAG | SAI | H5 | 180.0° | 180.0° |
| CAG | CAK | NAH | H6 | 179.6° | 179.6° |
| OAA | CAM | SAI | CAG | 179.6° | 180.0° |
| OAA | CAM | NAH | H6 | 0.1° | 0.0° |
| CAM | SAI | CAG | H5 | 179.5° | 180.0° |
| SAI | CAM | NAH | H6 | 179.9° | 179.7° |
| H1 | CAE | CAC | H2 | 0.0° | 0.0° |
| H2 | CAC | CAD | H3 | 0.0° | 0.0° |
| H3 | CAD | CAF | H4 | 0.2° | 0.1° |
