A05
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAB | sing | 1.35Å | 1.25Å | |
| OAN | HOAN | sing | 0.97Å | 0.95Å | |
| CAB | OAO | doub | 1.22Å | 1.25Å | |
| CAB | CAA | sing | 1.46Å | 1.53Å | |
| CAA | OAM | sing | 1.35Å | 1.37Å | Aromatic |
| CAA | CAD | doub | 1.38Å | 1.53Å | Aromatic |
| OAM | CAC | sing | 1.34Å | 1.37Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.53Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAC | doub | 1.37Å | 1.53Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | CAG | sing | 1.48Å | 1.39Å | Aromatic |
| CAG | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAH | CAF | doub | 1.38Å | 1.53Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAF | NAL | sing | 1.48Å | 1.33Å | |
| CAF | CAI | sing | 1.38Å | 1.53Å | Aromatic |
| NAL | OAQ | sing | 1.22Å | 1.42Å | |
| NAL | OAP | doub | 1.22Å | 1.42Å | |
| CAI | CAJ | doub | 1.38Å | 1.53Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CLAR | sing | 1.74Å | 1.73Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | OAN | HOAN | 109.5° | 114.0° |
| OAN | CAB | OAO | 124.1° | 120.0° |
| OAN | CAB | CAA | 118.8° | 120.0° |
| OAO | CAB | CAA | 117.1° | 120.0° |
| CAB | CAA | OAM | 122.8° | 126.0° |
| CAB | CAA | CAD | 125.8° | 125.9° |
| OAM | CAA | CAD | 111.4° | 108.1° |
| CAA | OAM | CAC | 110.6° | 109.3° |
| CAA | CAD | CAE | 102.6° | 106.7° |
| CAA | CAD | HAD | 128.7° | 126.6° |
| OAM | CAC | CAE | 110.5° | 108.7° |
| OAM | CAC | CAG | 118.9° | 125.6° |
| CAE | CAD | HAD | 128.7° | 126.6° |
| CAD | CAE | CAC | 103.9° | 107.1° |
| CAD | CAE | HAE | 128.0° | 126.4° |
| CAC | CAE | HAE | 128.1° | 126.5° |
| CAE | CAC | CAG | 130.4° | 125.7° |
| CAC | CAG | CAK | 116.8° | 120.2° |
| CAC | CAG | CAJ | 123.7° | 120.1° |
| CAK | CAG | CAJ | 119.4° | 119.7° |
| CAG | CAK | CAH | 128.6° | 119.9° |
| CAG | CAK | HAK | 115.7° | 120.0° |
| CAG | CAJ | CAI | 123.1° | 119.8° |
| CAG | CAJ | CLAR | 120.5° | 120.1° |
| CAH | CAK | HAK | 115.7° | 120.1° |
| CAK | CAH | CAF | 113.1° | 120.2° |
| CAK | CAH | HAH | 123.5° | 119.9° |
| CAF | CAH | HAH | 123.4° | 119.9° |
| CAH | CAF | NAL | 118.5° | 119.9° |
| CAH | CAF | CAI | 123.0° | 120.3° |
| NAL | CAF | CAI | 118.4° | 119.8° |
| CAF | NAL | OAQ | 119.9° | 120.0° |
| CAF | NAL | OAP | 119.9° | 120.0° |
| CAF | CAI | CAJ | 112.0° | 120.2° |
| CAF | CAI | HAI | 124.0° | 119.9° |
| OAQ | NAL | OAP | 120.2° | 120.0° |
| CAJ | CAI | HAI | 124.0° | 119.9° |
| CAI | CAJ | CLAR | 116.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAB | OAO | CAA | 179.6° | 180.0° |
| OAN | CAB | CAA | OAM | 177.6° | 0.0° |
| OAN | CAB | CAA | CAD | 4.3° | 179.7° |
| HOAN | OAN | CAB | OAO | 0.0° | 0.0° |
| HOAN | OAN | CAB | CAA | 179.6° | 180.0° |
| OAO | CAB | CAA | OAM | 2.8° | 180.0° |
| OAO | CAB | CAA | CAD | 175.4° | 0.3° |
| CAB | CAA | OAM | CAD | 178.4° | 179.7° |
| CAB | CAA | OAM | CAC | 179.6° | 180.0° |
| CAB | CAA | CAD | CAE | 174.3° | 180.0° |
| CAB | CAA | CAD | HAD | 5.6° | 0.0° |
| OAM | CAA | CAD | CAE | 7.3° | 0.2° |
| OAM | CAA | CAD | HAD | 172.7° | 179.8° |
| CAA | OAM | CAC | CAE | 4.4° | 0.1° |
| CAA | OAM | CAC | CAG | 179.6° | 180.0° |
| CAD | CAA | OAM | CAC | 2.0° | 0.2° |
| CAA | CAD | CAE | HAD | 180.0° | 180.0° |
| CAA | CAD | CAE | CAC | 9.1° | 0.1° |
| CAA | CAD | CAE | HAE | 170.9° | 179.9° |
| OAM | CAC | CAE | CAD | 8.8° | 0.0° |
| OAM | CAC | CAE | CAG | 174.4° | 179.9° |
| OAM | CAC | CAE | HAE | 171.2° | 179.9° |
| OAM | CAC | CAG | CAK | 21.8° | 50.0° |
| OAM | CAC | CAG | CAJ | 159.1° | 129.8° |
| CAD | CAE | CAC | HAE | 180.0° | 179.9° |
| CAD | CAE | CAC | CAG | 176.8° | 179.9° |
| HAD | CAD | CAE | CAC | 170.9° | 179.9° |
| HAD | CAD | CAE | HAE | 9.1° | 0.0° |
| CAE | CAC | CAG | CAK | 152.2° | 130.2° |
| CAE | CAC | CAG | CAJ | 26.9° | 50.1° |
| HAE | CAE | CAC | CAG | 3.2° | 0.0° |
| CAC | CAG | CAK | CAJ | 179.1° | 179.7° |
| CAC | CAG | CAK | CAH | 180.0° | 180.0° |
| CAC | CAG | CAK | HAK | 0.0° | 0.0° |
| CAC | CAG | CAJ | CAI | 172.0° | 179.7° |
| CAC | CAG | CAJ | CLAR | 7.9° | 0.0° |
| CAG | CAK | CAH | HAK | 180.0° | 180.0° |
| CAG | CAK | CAH | CAF | 5.9° | 0.0° |
| CAG | CAK | CAH | HAH | 174.1° | 180.0° |
| CAK | CAG | CAJ | CAI | 7.0° | 0.5° |
| CAK | CAG | CAJ | CLAR | 173.1° | 179.7° |
| CAJ | CAG | CAK | CAH | 0.9° | 0.3° |
| CAJ | CAG | CAK | HAK | 179.1° | 179.7° |
| CAG | CAJ | CAI | CAF | 8.3° | 0.5° |
| CAG | CAJ | CAI | CLAR | 179.9° | 179.8° |
| CAG | CAJ | CAI | HAI | 171.7° | 179.7° |
| CAK | CAH | CAF | HAH | 180.0° | 180.0° |
| CAK | CAH | CAF | NAL | 176.8° | 180.0° |
| CAK | CAH | CAF | CAI | 3.5° | 0.0° |
| HAK | CAK | CAH | CAF | 174.1° | 180.0° |
| HAK | CAK | CAH | HAH | 5.9° | 0.0° |
| CAH | CAF | NAL | CAI | 179.7° | 180.0° |
| CAH | CAF | NAL | OAQ | 0.4° | 0.0° |
| CAH | CAF | NAL | OAP | 180.0° | 180.0° |
| CAH | CAF | CAI | CAJ | 2.8° | 0.2° |
| CAH | CAF | CAI | HAI | 177.2° | 180.0° |
| HAH | CAH | CAF | NAL | 3.2° | 0.0° |
| HAH | CAH | CAF | CAI | 176.5° | 180.0° |
| CAF | NAL | OAQ | OAP | 179.6° | 180.0° |
| NAL | CAF | CAI | CAJ | 176.9° | 179.8° |
| NAL | CAF | CAI | HAI | 3.1° | 0.0° |
| CAI | CAF | NAL | OAQ | 179.3° | 180.0° |
| CAI | CAF | NAL | OAP | 0.3° | 0.0° |
| CAF | CAI | CAJ | HAI | 180.0° | 179.8° |
| CAF | CAI | CAJ | CLAR | 171.8° | 179.7° |
| HAI | CAI | CAJ | CLAR | 8.2° | 0.0° |
