4D3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAO | CAN | trip | 1.14Å | 1.14Å | |
| CAC | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.38Å | Aromatic |
| FAG | CAB | sing | 1.35Å | 1.36Å | |
| CAD | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAH | sing | 1.43Å | 1.43Å | |
| CAE | CAH | sing | 1.48Å | 1.39Å | |
| CAE | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | CAI | doub | 1.36Å | 1.52Å | |
| OAL | CAJ | doub | 1.22Å | 1.24Å | |
| CAI | CAJ | sing | 1.46Å | 1.52Å | |
| CAJ | OAK | sing | 1.35Å | 1.35Å | |
| OAK | CAM | sing | 1.43Å | 1.43Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAO | sing | 1.09Å | 1.10Å | |
| CAM | HAN | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAO | CAN | CAH | 178.7° | 180.0° |
| CAD | CAC | CAB | 119.6° | 120.2° |
| CAC | CAD | CAE | 120.0° | 119.8° |
| CAC | CAD | HAD | 120.0° | 120.1° |
| CAD | CAC | HAC | 120.2° | 119.9° |
| CAC | CAB | FAG | 119.0° | 119.9° |
| CAC | CAB | CAA | 121.0° | 120.2° |
| CAB | CAC | HAC | 120.2° | 119.9° |
| FAG | CAB | CAA | 120.0° | 119.9° |
| CAD | CAE | CAH | 119.7° | 120.1° |
| CAD | CAE | CAF | 120.2° | 119.7° |
| CAE | CAD | HAD | 120.0° | 120.1° |
| CAB | CAA | CAF | 119.4° | 120.1° |
| CAB | CAA | HAA | 120.3° | 119.9° |
| CAN | CAH | CAE | 119.4° | 120.0° |
| CAN | CAH | CAI | 121.0° | 120.0° |
| CAH | CAE | CAF | 120.1° | 120.2° |
| CAE | CAH | CAI | 119.5° | 120.0° |
| CAE | CAF | CAA | 119.8° | 119.9° |
| CAE | CAF | HAF | 120.1° | 120.0° |
| CAF | CAA | HAA | 120.3° | 119.9° |
| CAA | CAF | HAF | 120.1° | 120.1° |
| CAH | CAI | CAJ | 123.0° | 120.0° |
| CAH | CAI | HAI | 118.5° | 120.0° |
| OAL | CAJ | CAI | 123.0° | 120.0° |
| OAL | CAJ | OAK | 125.0° | 120.0° |
| CAI | CAJ | OAK | 111.9° | 120.0° |
| CAJ | CAI | HAI | 118.5° | 120.0° |
| CAJ | OAK | CAM | 112.6° | 117.0° |
| OAK | CAM | HAM | 109.5° | 109.5° |
| OAK | CAM | HAO | 109.5° | 109.5° |
| OAK | CAM | HAN | 109.5° | 109.4° |
| HAM | CAM | HAO | 109.5° | 109.5° |
| HAM | CAM | HAN | 109.4° | 109.5° |
| HAO | CAM | HAN | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAO | CAN | CAH | CAE | 0.7° | 33.2° |
| NAO | CAN | CAH | CAI | 178.0° | 146.8° |
| CAD | CAC | CAB | HAC | 180.0° | 179.9° |
| CAD | CAC | CAB | FAG | 179.6° | 180.0° |
| CAC | CAD | CAE | HAD | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.3° | 0.0° |
| CAC | CAD | CAE | CAH | 178.9° | 180.0° |
| CAC | CAD | CAE | CAF | 0.8° | 0.2° |
| CAC | CAB | FAG | CAA | 179.9° | 180.0° |
| CAB | CAC | CAD | CAE | 0.2° | 0.1° |
| CAC | CAB | CAA | CAF | 0.2° | 0.3° |
| CAB | CAC | CAD | HAD | 179.8° | 179.9° |
| CAC | CAB | CAA | HAA | 179.8° | 179.9° |
| FAG | CAB | CAA | CAF | 179.7° | 179.7° |
| FAG | CAB | CAC | HAC | 0.4° | 0.0° |
| FAG | CAB | CAA | HAA | 0.3° | 0.0° |
| CAD | CAE | CAH | CAN | 27.5° | 115.3° |
| CAD | CAE | CAH | CAF | 178.2° | 179.8° |
| CAD | CAE | CAF | CAA | 0.9° | 0.5° |
| CAD | CAE | CAH | CAI | 155.1° | 64.8° |
| CAE | CAD | CAC | HAC | 179.8° | 180.0° |
| CAD | CAE | CAF | HAF | 179.1° | 179.8° |
| CAB | CAA | CAF | CAE | 0.4° | 0.6° |
| CAB | CAA | CAF | HAA | 180.0° | 179.7° |
| CAA | CAB | CAC | HAC | 179.7° | 180.0° |
| CAB | CAA | CAF | HAF | 179.6° | 179.8° |
| CAN | CAH | CAE | CAI | 177.4° | 180.0° |
| CAN | CAH | CAE | CAF | 150.6° | 65.0° |
| CAN | CAH | CAI | CAJ | 1.4° | 0.0° |
| CAN | CAH | CAI | HAI | 178.6° | 180.0° |
| CAH | CAE | CAF | CAA | 179.1° | 179.7° |
| CAE | CAH | CAI | CAJ | 178.7° | 180.0° |
| CAE | CAH | CAI | HAI | 1.3° | 0.1° |
| CAH | CAE | CAD | HAD | 1.0° | 0.0° |
| CAH | CAE | CAF | HAF | 0.9° | 0.0° |
| CAE | CAF | CAA | HAF | 180.0° | 179.7° |
| CAF | CAE | CAH | CAI | 26.7° | 115.0° |
| CAF | CAE | CAD | HAD | 179.2° | 179.8° |
| CAE | CAF | CAA | HAA | 179.6° | 179.8° |
| CAH | CAI | CAJ | OAL | 2.2° | 0.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 179.9° |
| CAH | CAI | CAJ | OAK | 177.8° | 180.0° |
| OAL | CAJ | CAI | OAK | 180.0° | 180.0° |
| OAL | CAJ | OAK | CAM | 7.9° | 0.1° |
| OAL | CAJ | CAI | HAI | 177.8° | 180.0° |
| CAI | CAJ | OAK | CAM | 172.2° | 180.0° |
| CAJ | OAK | CAM | HAM | 180.0° | 180.0° |
| CAJ | OAK | CAM | HAO | 60.0° | 60.0° |
| CAJ | OAK | CAM | HAN | 60.0° | 60.0° |
| OAK | CAJ | CAI | HAI | 2.2° | 0.1° |
| OAK | CAM | HAM | HAO | 120.0° | 120.0° |
| OAK | CAM | HAM | HAN | 120.0° | 120.0° |
| OAK | CAM | HAO | HAN | 120.0° | 119.9° |
| HAM | CAM | HAO | HAN | 120.0° | 120.0° |
| HAD | CAD | CAC | HAC | 0.2° | 0.0° |
| HAA | CAA | CAF | HAF | 0.4° | 0.1° |
