0X3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAC | CAD | doub | 1.31Å | 1.34Å | Aromatic |
| NAC | OAB | sing | 1.22Å | 1.33Å | Aromatic |
| CAE | CAD | sing | 1.45Å | 1.42Å | Aromatic |
| CAE | CAF | doub | 1.36Å | 1.35Å | Aromatic |
| CAD | CAK | sing | 1.49Å | 1.45Å | Aromatic |
| OAB | NAJ | sing | 1.21Å | 1.33Å | Aromatic |
| CAF | CAM | sing | 1.41Å | 1.45Å | Aromatic |
| CAK | NAJ | doub | 1.31Å | 1.35Å | Aromatic |
| CAK | CAL | sing | 1.40Å | 1.43Å | Aromatic |
| CL1 | CAH | sing | 1.74Å | 1.74Å | |
| CAH | CAI | doub | 1.38Å | 1.37Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.36Å | Aromatic |
| CAM | CAL | doub | 1.36Å | 1.37Å | Aromatic |
| CAM | NAN | sing | 1.39Å | 1.36Å | |
| CAI | CAQ | sing | 1.39Å | 1.38Å | Aromatic |
| CAG | CAO | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | NAT | sing | 1.48Å | 1.42Å | |
| CAO | CAP | sing | 1.39Å | 1.37Å | Aromatic |
| CAO | NAN | sing | 1.40Å | 1.43Å | |
| CAQ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | FAR | sing | 1.35Å | 1.34Å | |
| NAT | OAU | doub | 1.22Å | 1.21Å | |
| NAT | OAS | sing | 1.22Å | 1.23Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | NAC | OAB | 105.7° | 109.1° |
| NAC | CAD | CAE | 133.8° | 138.7° |
| NAC | CAD | CAK | 107.7° | 102.8° |
| NAC | OAB | NAJ | 114.3° | 116.4° |
| CAD | CAE | CAF | 119.2° | 118.8° |
| CAE | CAD | CAK | 118.5° | 118.4° |
| CAD | CAE | HAE | 120.4° | 120.6° |
| CAE | CAF | CAM | 123.6° | 121.8° |
| CAE | CAF | HAF | 118.2° | 119.1° |
| CAF | CAE | HAE | 120.4° | 120.6° |
| CAD | CAK | NAJ | 106.1° | 102.7° |
| CAD | CAK | CAL | 120.2° | 118.6° |
| OAB | NAJ | CAK | 106.2° | 109.0° |
| CAF | CAM | CAL | 118.0° | 122.4° |
| CAF | CAM | NAN | 116.9° | 118.8° |
| CAM | CAF | HAF | 118.2° | 119.1° |
| NAJ | CAK | CAL | 133.7° | 138.7° |
| CAK | CAL | CAM | 120.5° | 119.9° |
| CAK | CAL | NAT | 117.7° | 120.0° |
| CL1 | CAH | CAI | 117.1° | 120.0° |
| CL1 | CAH | CAG | 118.6° | 120.0° |
| CAI | CAH | CAG | 124.1° | 120.1° |
| CAH | CAI | CAQ | 115.2° | 120.1° |
| CAH | CAI | HAI | 122.4° | 120.0° |
| CAH | CAG | CAO | 119.4° | 120.0° |
| CAH | CAG | HAG | 120.3° | 120.0° |
| CAL | CAM | NAN | 125.1° | 118.8° |
| CAM | CAL | NAT | 121.8° | 120.1° |
| CAM | NAN | CAO | 125.3° | 120.0° |
| CAM | NAN | HNAN | 117.4° | 120.0° |
| CAI | CAQ | CAP | 122.7° | 120.1° |
| CAI | CAQ | FAR | 118.5° | 119.9° |
| CAQ | CAI | HAI | 122.4° | 119.9° |
| CAG | CAO | CAP | 119.1° | 119.9° |
| CAG | CAO | NAN | 120.7° | 120.1° |
| CAO | CAG | HAG | 120.3° | 120.0° |
| CAL | NAT | OAU | 120.9° | 120.0° |
| CAL | NAT | OAS | 117.5° | 120.0° |
| CAP | CAO | NAN | 120.2° | 120.0° |
| CAO | CAP | CAQ | 119.3° | 119.9° |
| CAO | CAP | HAP | 120.3° | 120.1° |
| CAO | NAN | HNAN | 117.3° | 120.0° |
| CAP | CAQ | FAR | 118.7° | 120.0° |
| CAQ | CAP | HAP | 120.3° | 120.0° |
| OAU | NAT | OAS | 121.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAC | CAD | CAE | CAK | 178.5° | 179.7° |
| NAC | CAD | CAE | CAF | 180.0° | 179.9° |
| CAD | NAC | OAB | NAJ | 0.3° | 0.2° |
| NAC | CAD | CAK | NAJ | 0.3° | 0.2° |
| NAC | CAD | CAK | CAL | 179.5° | 179.8° |
| NAC | CAD | CAE | HAE | 0.1° | 0.3° |
| OAB | NAC | CAD | CAE | 178.6° | 180.0° |
| OAB | NAC | CAD | CAK | 0.0° | 0.2° |
| NAC | OAB | NAJ | CAK | 0.5° | 0.1° |
| CAD | CAE | CAF | HAE | 180.0° | 179.8° |
| CAD | CAE | CAF | CAM | 1.8° | 0.1° |
| CAE | CAD | CAK | NAJ | 178.5° | 180.0° |
| CAE | CAD | CAK | CAL | 0.7° | 0.4° |
| CAD | CAE | CAF | HAF | 178.2° | 180.0° |
| CAF | CAE | CAD | CAK | 1.6° | 0.2° |
| CAE | CAF | CAM | HAF | 180.0° | 179.9° |
| CAE | CAF | CAM | CAL | 1.0° | 0.1° |
| CAE | CAF | CAM | NAN | 179.5° | 179.7° |
| CAD | CAK | NAJ | OAB | 0.5° | 0.0° |
| CAD | CAK | NAJ | CAL | 179.0° | 179.5° |
| CAD | CAK | CAL | CAM | 0.1° | 0.4° |
| CAD | CAK | CAL | NAT | 179.4° | 179.5° |
| CAK | CAD | CAE | HAE | 178.4° | 180.0° |
| OAB | NAJ | CAK | CAL | 179.5° | 179.5° |
| CAF | CAM | CAL | CAK | 0.0° | 0.1° |
| CAF | CAM | CAL | NAN | 178.4° | 179.9° |
| CAF | CAM | CAL | NAT | 179.2° | 179.8° |
| CAF | CAM | NAN | CAO | 13.2° | 7.8° |
| CAF | CAM | NAN | HNAN | 166.8° | 172.2° |
| CAM | CAF | CAE | HAE | 178.2° | 179.7° |
| NAJ | CAK | CAL | CAM | 179.0° | 179.8° |
| NAJ | CAK | CAL | NAT | 1.7° | 0.1° |
| CAK | CAL | CAM | NAT | 179.3° | 179.9° |
| CAK | CAL | CAM | NAN | 178.4° | 180.0° |
| CAK | CAL | NAT | OAU | 3.0° | 90.0° |
| CAK | CAL | NAT | OAS | 177.4° | 90.1° |
| CL1 | CAH | CAI | CAG | 176.1° | 179.7° |
| CL1 | CAH | CAI | CAQ | 177.4° | 180.0° |
| CL1 | CAH | CAG | CAO | 179.4° | 180.0° |
| CL1 | CAH | CAG | HAG | 0.6° | 0.0° |
| CL1 | CAH | CAI | HAI | 2.5° | 0.1° |
| CAH | CAI | CAQ | HAI | 180.0° | 179.9° |
| CAI | CAH | CAG | CAO | 3.4° | 0.3° |
| CAH | CAI | CAQ | CAP | 1.1° | 0.1° |
| CAH | CAI | CAQ | FAR | 179.6° | 180.0° |
| CAI | CAH | CAG | HAG | 176.6° | 179.7° |
| CAG | CAH | CAI | CAQ | 1.4° | 0.3° |
| CAH | CAG | CAO | HAG | 180.0° | 180.0° |
| CAH | CAG | CAO | CAP | 2.8° | 0.0° |
| CAH | CAG | CAO | NAN | 179.9° | 180.0° |
| CAG | CAH | CAI | HAI | 178.6° | 179.8° |
| CAL | CAM | NAN | CAO | 168.4° | 172.0° |
| CAM | CAL | NAT | OAU | 176.3° | 89.9° |
| CAM | CAL | NAT | OAS | 3.3° | 90.0° |
| CAL | CAM | NAN | HNAN | 11.6° | 7.9° |
| CAL | CAM | CAF | HAF | 179.0° | 180.0° |
| CAM | NAN | CAO | CAG | 56.5° | 43.7° |
| NAN | CAM | CAL | NAT | 0.9° | 0.1° |
| CAM | NAN | CAO | CAP | 126.2° | 136.3° |
| CAM | NAN | CAO | HNAN | 180.0° | 179.9° |
| NAN | CAM | CAF | HAF | 0.5° | 0.2° |
| CAI | CAQ | CAP | CAO | 1.6° | 0.2° |
| CAI | CAQ | CAP | FAR | 178.4° | 179.9° |
| CAI | CAQ | CAP | HAP | 178.4° | 180.0° |
| CAG | CAO | CAP | NAN | 177.3° | 180.0° |
| CAG | CAO | CAP | CAQ | 0.4° | 0.3° |
| CAG | CAO | CAP | HAP | 179.6° | 180.0° |
| CAG | CAO | NAN | HNAN | 123.4° | 136.2° |
| CAL | NAT | OAU | OAS | 179.6° | 179.9° |
| CAO | CAP | CAQ | HAP | 180.0° | 179.7° |
| CAO | CAP | CAQ | FAR | 180.0° | 179.7° |
| CAP | CAO | CAG | HAG | 177.2° | 180.0° |
| CAP | CAO | NAN | HNAN | 53.8° | 43.8° |
| NAN | CAO | CAP | CAQ | 177.7° | 179.7° |
| NAN | CAO | CAG | HAG | 0.1° | 0.0° |
| NAN | CAO | CAP | HAP | 2.3° | 0.0° |
| CAP | CAQ | CAI | HAI | 178.9° | 180.0° |
| FAR | CAQ | CAI | HAI | 0.4° | 0.1° |
| FAR | CAQ | CAP | HAP | 0.1° | 0.1° |
| HAF | CAF | CAE | HAE | 1.8° | 0.2° |
