RWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | NAA | trip | 1.14Å | 1.14Å | |
| SAP | CAB | sing | 1.81Å | 1.64Å | |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAR | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAQ | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAS | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | OAN | sing | 1.43Å | 1.43Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| SAP | CAM | sing | 1.81Å | 1.83Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| OAN | CAQ | sing | 1.36Å | 1.36Å | |
| CAR | OAO | sing | 1.36Å | 1.36Å | |
| CAS | OAO | sing | 1.36Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAB | SAP | 179.9° | 180.0° |
| CAB | SAP | CAM | 100.3° | 100.0° |
| CAE | CAC | CAD | 120.1° | 120.1° |
| CAE | CAC | HAC | 120.0° | 119.9° |
| CAC | CAE | CAG | 120.1° | 120.0° |
| CAC | CAE | HAE | 119.9° | 120.0° |
| CAD | CAC | HAC | 119.9° | 120.0° |
| CAC | CAD | CAF | 119.8° | 120.1° |
| CAC | CAD | HAD | 120.1° | 120.0° |
| CAF | CAD | HAD | 120.1° | 119.9° |
| CAD | CAF | CAR | 120.1° | 119.9° |
| CAD | CAF | HAF | 120.0° | 120.0° |
| CAG | CAE | HAE | 120.0° | 120.0° |
| CAE | CAG | CAR | 119.7° | 120.0° |
| CAE | CAG | HAG | 120.1° | 120.0° |
| CAR | CAF | HAF | 119.9° | 120.1° |
| CAF | CAR | CAG | 120.1° | 119.9° |
| CAF | CAR | OAO | 119.7° | 120.1° |
| CAR | CAG | HAG | 120.1° | 120.0° |
| CAG | CAR | OAO | 120.2° | 120.1° |
| CAQ | CAH | CAJ | 119.9° | 120.0° |
| CAQ | CAH | HAH | 120.1° | 120.1° |
| CAH | CAQ | CAI | 120.1° | 120.0° |
| CAH | CAQ | OAN | 119.8° | 120.0° |
| CAJ | CAH | HAH | 120.0° | 120.0° |
| CAH | CAJ | CAS | 120.0° | 120.0° |
| CAH | CAJ | HAJ | 120.0° | 120.0° |
| CAK | CAI | CAQ | 120.0° | 120.0° |
| CAK | CAI | HAI | 120.0° | 120.1° |
| CAI | CAK | CAS | 119.9° | 120.0° |
| CAI | CAK | HAK | 120.0° | 120.0° |
| CAQ | CAI | HAI | 120.0° | 120.0° |
| CAI | CAQ | OAN | 120.1° | 120.0° |
| CAS | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAS | CAK | 120.1° | 120.0° |
| CAJ | CAS | OAO | 119.7° | 120.0° |
| CAS | CAK | HAK | 120.0° | 120.0° |
| CAK | CAS | OAO | 120.2° | 120.0° |
| OAN | CAL | CAM | 109.3° | 109.5° |
| OAN | CAL | HAL | 109.5° | 109.5° |
| OAN | CAL | HALA | 109.5° | 109.5° |
| CAL | OAN | CAQ | 108.8° | 117.0° |
| CAM | CAL | HAL | 109.5° | 109.5° |
| CAM | CAL | HALA | 109.5° | 109.5° |
| CAL | CAM | SAP | 112.9° | 109.5° |
| CAL | CAM | HAM | 108.4° | 109.5° |
| CAL | CAM | HAMA | 108.3° | 109.5° |
| HAL | CAL | HALA | 109.4° | 109.4° |
| SAP | CAM | HAM | 108.4° | 109.5° |
| SAP | CAM | HAMA | 108.4° | 109.4° |
| HAM | CAM | HAMA | 110.5° | 109.4° |
| CAR | OAO | CAS | 110.6° | 118.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAB | SAP | CAM | 175.6° | 161.9° |
| CAB | SAP | CAM | CAL | 129.5° | 180.0° |
| CAB | SAP | CAM | HAM | 110.5° | 60.0° |
| CAB | SAP | CAM | HAMA | 9.5° | 60.0° |
| CAE | CAC | CAD | HAC | 180.0° | 179.7° |
| CAE | CAC | CAD | CAF | 0.1° | 0.3° |
| CAE | CAC | CAD | HAD | 179.9° | 179.7° |
| CAC | CAE | CAG | HAE | 180.0° | 179.9° |
| CAC | CAE | CAG | CAR | 0.1° | 0.6° |
| CAC | CAE | CAG | HAG | 179.8° | 180.0° |
| CAC | CAD | CAF | HAD | 180.0° | 180.0° |
| CAD | CAC | CAE | CAG | 0.2° | 0.0° |
| CAD | CAC | CAE | HAE | 179.8° | 180.0° |
| CAC | CAD | CAF | CAR | 0.0° | 0.0° |
| CAC | CAD | CAF | HAF | 180.0° | 180.0° |
| HAC | CAC | CAD | CAF | 179.9° | 180.0° |
| HAC | CAC | CAD | HAD | 0.1° | 0.0° |
| HAC | CAC | CAE | CAG | 179.8° | 179.7° |
| HAC | CAC | CAE | HAE | 0.2° | 0.3° |
| CAD | CAF | CAR | HAF | 180.0° | 180.0° |
| CAD | CAF | CAR | CAG | 0.0° | 0.6° |
| CAD | CAF | CAR | OAO | 179.9° | 179.8° |
| HAD | CAD | CAF | CAR | 180.0° | 180.0° |
| HAD | CAD | CAF | HAF | 0.0° | 0.0° |
| CAE | CAG | CAR | CAF | 0.1° | 0.9° |
| CAE | CAG | CAR | HAG | 180.0° | 179.4° |
| CAE | CAG | CAR | OAO | 179.9° | 179.9° |
| HAE | CAE | CAG | CAR | 179.8° | 179.5° |
| HAE | CAE | CAG | HAG | 0.2° | 0.1° |
| CAF | CAR | CAG | OAO | 179.9° | 179.2° |
| CAF | CAR | CAG | HAG | 179.9° | 179.8° |
| CAF | CAR | OAO | CAS | 149.7° | 179.5° |
| HAF | CAF | CAR | CAG | 180.0° | 179.4° |
| HAF | CAF | CAR | OAO | 0.1° | 0.3° |
| CAG | CAR | OAO | CAS | 30.4° | 0.3° |
| HAG | CAG | CAR | OAO | 0.1° | 0.6° |
| CAQ | CAH | CAJ | HAH | 180.0° | 179.7° |
| CAH | CAQ | CAI | CAK | 0.1° | 0.5° |
| CAH | CAQ | CAI | OAN | 179.9° | 180.0° |
| CAH | CAQ | CAI | HAI | 179.9° | 179.8° |
| CAQ | CAH | CAJ | CAS | 0.0° | 0.3° |
| CAQ | CAH | CAJ | HAJ | 180.0° | 179.8° |
| CAH | CAQ | OAN | CAL | 104.6° | 0.0° |
| CAJ | CAH | CAQ | CAI | 0.0° | 0.0° |
| CAH | CAJ | CAS | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAS | CAK | 0.0° | 0.0° |
| CAJ | CAH | CAQ | OAN | 179.9° | 180.0° |
| CAH | CAJ | CAS | OAO | 179.8° | 179.4° |
| HAH | CAH | CAQ | CAI | 180.0° | 179.7° |
| HAH | CAH | CAJ | CAS | 180.0° | 180.0° |
| HAH | CAH | CAJ | HAJ | 0.0° | 0.1° |
| HAH | CAH | CAQ | OAN | 0.1° | 0.3° |
| CAK | CAI | CAQ | HAI | 180.0° | 179.2° |
| CAI | CAK | CAS | CAJ | 0.0° | 0.5° |
| CAI | CAK | CAS | HAK | 180.0° | 179.2° |
| CAK | CAI | CAQ | OAN | 180.0° | 179.5° |
| CAI | CAK | CAS | OAO | 179.8° | 180.0° |
| CAQ | CAI | CAK | CAS | 0.1° | 0.8° |
| CAQ | CAI | CAK | HAK | 180.0° | 180.0° |
| CAI | CAQ | OAN | CAL | 75.3° | 180.0° |
| HAI | CAI | CAK | CAS | 180.0° | 180.0° |
| HAI | CAI | CAK | HAK | 0.0° | 0.8° |
| HAI | CAI | CAQ | OAN | 0.1° | 0.3° |
| CAJ | CAS | CAK | OAO | 179.8° | 179.5° |
| CAJ | CAS | CAK | HAK | 180.0° | 179.7° |
| CAJ | CAS | OAO | CAR | 137.7° | 90.2° |
| HAJ | CAJ | CAS | CAK | 180.0° | 180.0° |
| HAJ | CAJ | CAS | OAO | 0.2° | 0.5° |
| CAK | CAS | OAO | CAR | 42.5° | 90.3° |
| HAK | CAK | CAS | OAO | 0.2° | 0.8° |
| OAN | CAL | CAM | HAL | 120.0° | 120.0° |
| OAN | CAL | CAM | HALA | 120.0° | 120.0° |
| OAN | CAL | HAL | HALA | 120.1° | 120.0° |
| OAN | CAL | CAM | SAP | 164.3° | 180.0° |
| OAN | CAL | CAM | HAM | 75.6° | 60.0° |
| OAN | CAL | CAM | HAMA | 44.3° | 60.0° |
| CAM | CAL | HAL | HALA | 120.0° | 120.0° |
| CAL | CAM | SAP | HAM | 120.0° | 120.1° |
| CAL | CAM | SAP | HAMA | 120.0° | 120.0° |
| CAL | CAM | HAM | HAMA | 118.6° | 120.1° |
| CAM | CAL | OAN | CAQ | 40.6° | 180.0° |
| HAL | CAL | CAM | SAP | 44.3° | 60.0° |
| HAL | CAL | CAM | HAM | 164.3° | 60.0° |
| HAL | CAL | CAM | HAMA | 75.7° | 179.9° |
| HAL | CAL | OAN | CAQ | 160.6° | 60.0° |
| HALA | CAL | CAM | SAP | 75.6° | 60.0° |
| HALA | CAL | CAM | HAM | 44.4° | 180.0° |
| HALA | CAL | CAM | HAMA | 164.4° | 60.0° |
| HALA | CAL | OAN | CAQ | 79.4° | 60.0° |
| SAP | CAM | HAM | HAMA | 118.6° | 119.9° |
