9AN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAB | sing | 1.36Å | 1.36Å | |
| CAC | CAB | doub | 1.39Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAB | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.48Å | 1.40Å | |
| CAH | NAI | doub | 1.31Å | 1.33Å | |
| CAH | NAR | sing | 1.37Å | 1.40Å | |
| NAI | CAJ | sing | 1.35Å | 1.35Å | |
| NAR | CAP | sing | 1.35Å | 1.39Å | |
| CAJ | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.41Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | CAK | sing | 1.47Å | 1.40Å | |
| CAP | OAQ | doub | 1.22Å | 1.24Å | |
| CAK | CAL | doub | 1.39Å | 1.38Å | Aromatic |
| CAN | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| OAA | H2 | sing | 0.97Å | 0.95Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAO | H6 | sing | 1.08Å | 1.08Å | |
| CAN | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| NAR | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAB | CAC | 119.0° | 120.0° |
| OAA | CAB | CAG | 120.8° | 120.0° |
| CAB | OAA | H2 | 109.5° | 114.0° |
| CAB | CAC | CAD | 119.4° | 120.3° |
| CAC | CAB | CAG | 120.2° | 120.0° |
| CAB | CAC | H3 | 120.3° | 119.8° |
| CAC | CAD | CAE | 120.8° | 120.2° |
| CAD | CAC | H3 | 120.3° | 119.9° |
| CAC | CAD | H4 | 119.6° | 119.9° |
| CAB | CAG | CAF | 120.5° | 119.8° |
| CAB | CAG | H1 | 119.8° | 120.1° |
| CAD | CAE | CAF | 120.2° | 119.9° |
| CAE | CAD | H4 | 119.6° | 119.9° |
| CAD | CAE | H5 | 119.9° | 120.1° |
| CAG | CAF | CAE | 118.9° | 119.7° |
| CAG | CAF | CAH | 120.8° | 120.2° |
| CAF | CAG | H1 | 119.7° | 120.1° |
| CAE | CAF | CAH | 120.1° | 120.1° |
| CAF | CAE | H5 | 119.9° | 120.0° |
| CAF | CAH | NAI | 119.6° | 118.4° |
| CAF | CAH | NAR | 120.9° | 118.5° |
| NAI | CAH | NAR | 119.5° | 123.1° |
| CAH | NAI | CAJ | 120.9° | 121.7° |
| CAH | NAR | CAP | 121.5° | 120.5° |
| CAH | NAR | H10 | 119.2° | 119.8° |
| NAI | CAJ | CAO | 118.1° | 121.5° |
| NAI | CAJ | CAK | 121.8° | 119.2° |
| NAR | CAP | CAK | 117.3° | 117.4° |
| NAR | CAP | OAQ | 120.3° | 121.3° |
| CAP | NAR | H10 | 119.2° | 119.8° |
| CAO | CAJ | CAK | 120.0° | 119.4° |
| CAJ | CAO | CAN | 120.0° | 119.7° |
| CAJ | CAO | H6 | 120.0° | 120.2° |
| CAJ | CAK | CAP | 118.8° | 118.2° |
| CAJ | CAK | CAL | 120.4° | 120.0° |
| CAO | CAN | CAM | 120.2° | 120.8° |
| CAN | CAO | H6 | 120.0° | 120.1° |
| CAO | CAN | H7 | 119.9° | 119.6° |
| CAK | CAP | OAQ | 122.3° | 121.3° |
| CAP | CAK | CAL | 120.8° | 121.8° |
| CAK | CAL | CAM | 119.6° | 119.6° |
| CAK | CAL | H9 | 120.2° | 120.2° |
| CAN | CAM | CAL | 119.8° | 120.6° |
| CAM | CAN | H7 | 119.9° | 119.6° |
| CAN | CAM | H8 | 120.1° | 119.7° |
| CAL | CAM | H8 | 120.1° | 119.8° |
| CAM | CAL | H9 | 120.2° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAB | CAC | CAG | 177.8° | 180.0° |
| OAA | CAB | CAC | CAD | 178.8° | 180.0° |
| OAA | CAB | CAG | CAF | 178.0° | 180.0° |
| OAA | CAB | CAG | H1 | 2.0° | 0.2° |
| OAA | CAB | CAC | H3 | 1.2° | 0.0° |
| CAB | CAC | CAD | H3 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.1° | 0.0° |
| CAC | CAB | CAG | CAF | 0.3° | 0.0° |
| CAC | CAB | CAG | H1 | 179.7° | 179.8° |
| CAC | CAB | OAA | H2 | 180.0° | 90.0° |
| CAB | CAC | CAD | H4 | 179.9° | 180.0° |
| CAD | CAC | CAB | CAG | 1.0° | 0.0° |
| CAC | CAD | CAE | H4 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 1.4° | 0.1° |
| CAC | CAD | CAE | H5 | 178.6° | 180.0° |
| CAB | CAG | CAF | H1 | 180.0° | 179.8° |
| CAB | CAG | CAF | CAE | 1.2° | 0.0° |
| CAB | CAG | CAF | CAH | 177.8° | 179.7° |
| CAG | CAB | OAA | H2 | 2.2° | 90.0° |
| CAG | CAB | CAC | H3 | 179.0° | 180.0° |
| CAD | CAE | CAF | CAG | 2.1° | 0.1° |
| CAD | CAE | CAF | H5 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAH | 178.7° | 179.7° |
| CAE | CAD | CAC | H3 | 179.9° | 180.0° |
| CAG | CAF | CAE | CAH | 176.6° | 179.7° |
| CAG | CAF | CAH | NAI | 14.7° | 0.0° |
| CAG | CAF | CAH | NAR | 166.6° | 179.7° |
| CAG | CAF | CAE | H5 | 178.0° | 180.0° |
| CAE | CAF | CAH | NAI | 161.8° | 179.8° |
| CAE | CAF | CAH | NAR | 16.8° | 0.5° |
| CAE | CAF | CAG | H1 | 178.8° | 179.8° |
| CAF | CAE | CAD | H4 | 178.6° | 180.0° |
| CAF | CAH | NAI | NAR | 178.7° | 179.7° |
| CAF | CAH | NAI | CAJ | 179.2° | 179.9° |
| CAF | CAH | NAR | CAP | 178.2° | 179.8° |
| CAH | CAF | CAG | H1 | 2.2° | 0.1° |
| CAH | CAF | CAE | H5 | 1.3° | 0.3° |
| CAF | CAH | NAR | H10 | 1.8° | 0.0° |
| NAI | CAH | NAR | CAP | 0.5° | 0.5° |
| CAH | NAI | CAJ | CAO | 179.5° | 180.0° |
| CAH | NAI | CAJ | CAK | 2.2° | 0.0° |
| NAI | CAH | NAR | H10 | 179.5° | 179.7° |
| NAR | CAH | NAI | CAJ | 0.5° | 0.3° |
| CAH | NAR | CAP | H10 | 180.0° | 179.7° |
| CAH | NAR | CAP | CAK | 0.2° | 0.5° |
| CAH | NAR | CAP | OAQ | 178.7° | 179.7° |
| NAI | CAJ | CAO | CAK | 177.3° | 180.0° |
| NAI | CAJ | CAO | CAN | 179.0° | 180.0° |
| NAI | CAJ | CAK | CAP | 2.9° | 0.0° |
| NAI | CAJ | CAK | CAL | 179.3° | 180.0° |
| NAI | CAJ | CAO | H6 | 1.0° | 0.0° |
| NAR | CAP | CAK | CAJ | 1.8° | 0.2° |
| NAR | CAP | CAK | OAQ | 178.8° | 179.8° |
| NAR | CAP | CAK | CAL | 179.6° | 179.8° |
| CAJ | CAO | CAN | H6 | 180.0° | 180.0° |
| CAO | CAJ | CAK | CAP | 179.9° | 180.0° |
| CAO | CAJ | CAK | CAL | 2.1° | 0.0° |
| CAJ | CAO | CAN | CAM | 0.6° | 0.0° |
| CAJ | CAO | CAN | H7 | 179.4° | 180.0° |
| CAK | CAJ | CAO | CAN | 1.7° | 0.0° |
| CAJ | CAK | CAP | CAL | 177.8° | 180.0° |
| CAJ | CAK | CAP | OAQ | 177.0° | 180.0° |
| CAJ | CAK | CAL | CAM | 1.4° | 0.1° |
| CAK | CAJ | CAO | H6 | 178.3° | 180.0° |
| CAJ | CAK | CAL | H9 | 178.5° | 180.0° |
| CAO | CAN | CAM | H7 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAL | 0.0° | 0.0° |
| CAO | CAN | CAM | H8 | 180.0° | 180.0° |
| CAP | CAK | CAL | CAM | 179.2° | 180.0° |
| CAP | CAK | CAL | H9 | 0.7° | 0.0° |
| CAK | CAP | NAR | H10 | 179.8° | 179.8° |
| OAQ | CAP | CAK | CAL | 0.8° | 0.0° |
| OAQ | CAP | NAR | H10 | 1.3° | 0.0° |
| CAK | CAL | CAM | CAN | 0.4° | 0.0° |
| CAK | CAL | CAM | H9 | 180.0° | 180.0° |
| CAK | CAL | CAM | H8 | 179.6° | 180.0° |
| CAN | CAM | CAL | H8 | 180.0° | 180.0° |
| CAM | CAN | CAO | H6 | 179.4° | 180.0° |
| CAN | CAM | CAL | H9 | 179.6° | 180.0° |
| CAL | CAM | CAN | H7 | 180.0° | 179.9° |
| H3 | CAC | CAD | H4 | 0.1° | 0.0° |
| H4 | CAD | CAE | H5 | 1.4° | 0.0° |
| H6 | CAO | CAN | H7 | 0.6° | 0.0° |
| H7 | CAN | CAM | H8 | 0.0° | 0.0° |
| H8 | CAM | CAL | H9 | 0.4° | 0.0° |
