NWL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.51Å | 1.53Å | |
| CAC | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | NAG | sing | 1.47Å | 1.49Å | |
| OAE | CAF | doub | 1.22Å | 1.23Å | |
| CAF | NAG | sing | 1.35Å | 1.40Å | |
| CAF | NAJ | sing | 1.35Å | 1.39Å | |
| NAG | CAH | sing | 1.38Å | 1.41Å | |
| CAH | NAI | sing | 1.38Å | 1.33Å | |
| CAH | CAL | doub | 1.37Å | 1.40Å | |
| NAJ | CAK | sing | 1.35Å | 1.41Å | |
| CAK | CAL | sing | 1.41Å | 1.40Å | |
| CAK | OAQ | doub | 1.22Å | 1.23Å | |
| CAL | NAM | sing | 1.41Å | 1.34Å | |
| NAM | CAN | sing | 1.47Å | 1.47Å | |
| CAN | CAR | sing | 1.53Å | 1.53Å | |
| CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| NAI | HNAI | sing | 0.97Å | 1.00Å | |
| NAI | HNAA | sing | 0.97Å | 1.00Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAR | HARB | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAS | 120.0° | 120.0° |
| CAA | CAB | CAC | 120.9° | 120.0° |
| CAB | CAA | HAA | 120.0° | 119.9° |
| CAA | CAB | HAB | 119.6° | 120.0° |
| CAA | CAS | CAP | 119.1° | 120.0° |
| CAS | CAA | HAA | 120.0° | 120.1° |
| CAA | CAS | HAS | 120.5° | 120.0° |
| CAB | CAC | CAD | 117.2° | 120.0° |
| CAB | CAC | CAQ | 119.0° | 120.0° |
| CAC | CAB | HAB | 119.6° | 120.0° |
| CAD | CAC | CAQ | 123.8° | 120.0° |
| CAC | CAD | NAG | 115.5° | 109.4° |
| CAC | CAD | HAD | 107.9° | 109.5° |
| CAC | CAD | HADA | 108.0° | 109.4° |
| CAC | CAQ | CAP | 120.2° | 120.0° |
| CAC | CAQ | HAQ | 119.9° | 120.0° |
| CAD | NAG | CAF | 119.6° | 119.8° |
| CAD | NAG | CAH | 120.3° | 119.8° |
| NAG | CAD | HAD | 108.0° | 109.5° |
| NAG | CAD | HADA | 107.9° | 109.5° |
| OAE | CAF | NAG | 121.1° | 119.5° |
| OAE | CAF | NAJ | 119.8° | 119.5° |
| NAG | CAF | NAJ | 119.1° | 121.0° |
| CAF | NAG | CAH | 120.0° | 120.4° |
| CAF | NAJ | CAK | 121.0° | 120.6° |
| CAF | NAJ | HNAJ | 119.5° | 119.7° |
| NAG | CAH | NAI | 119.7° | 120.3° |
| NAG | CAH | CAL | 120.9° | 119.4° |
| NAI | CAH | CAL | 119.4° | 120.3° |
| CAH | NAI | HNAI | 109.5° | 120.0° |
| CAH | NAI | HNAA | 109.5° | 120.0° |
| CAH | CAL | CAK | 118.7° | 119.0° |
| CAH | CAL | NAM | 118.3° | 120.5° |
| NAJ | CAK | CAL | 120.3° | 119.6° |
| NAJ | CAK | OAQ | 117.8° | 120.2° |
| CAK | NAJ | HNAJ | 119.5° | 119.7° |
| CAL | CAK | OAQ | 121.9° | 120.2° |
| CAK | CAL | NAM | 123.0° | 120.5° |
| CAL | NAM | CAN | 125.1° | 120.0° |
| CAL | NAM | HNAM | 105.5° | 120.0° |
| NAM | CAN | CAR | 113.3° | 109.5° |
| CAN | NAM | HNAM | 105.5° | 120.0° |
| NAM | CAN | HAN | 108.5° | 109.5° |
| NAM | CAN | HANA | 108.5° | 109.5° |
| CAR | CAN | HAN | 108.5° | 109.4° |
| CAR | CAN | HANA | 108.5° | 109.4° |
| CAN | CAR | HAR | 109.5° | 109.5° |
| CAN | CAR | HARA | 109.5° | 109.5° |
| CAN | CAR | HARB | 109.5° | 109.5° |
| CAQ | CAP | CAS | 120.8° | 120.0° |
| CAQ | CAP | HAP | 119.6° | 120.0° |
| CAP | CAQ | HAQ | 119.9° | 120.0° |
| CAS | CAP | HAP | 119.6° | 120.0° |
| CAP | CAS | HAS | 120.4° | 120.0° |
| HAD | CAD | HADA | 109.5° | 109.5° |
| HNAI | NAI | HNAA | 109.4° | 120.0° |
| HAN | CAN | HANA | 109.5° | 109.5° |
| HAR | CAR | HARA | 109.5° | 109.5° |
| HAR | CAR | HARB | 109.5° | 109.4° |
| HARA | CAR | HARB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAS | HAA | 180.0° | 179.7° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 179.9° | 180.0° |
| CAA | CAB | CAC | CAQ | 1.1° | 0.0° |
| CAB | CAA | CAS | CAP | 0.0° | 0.1° |
| CAB | CAA | CAS | HAS | 180.0° | 180.0° |
| CAS | CAA | CAB | CAC | 0.7° | 0.0° |
| CAA | CAS | CAP | CAQ | 0.2° | 0.1° |
| CAA | CAS | CAP | HAS | 180.0° | 179.9° |
| CAS | CAA | CAB | HAB | 179.3° | 180.0° |
| CAA | CAS | CAP | HAP | 179.8° | 180.0° |
| CAB | CAC | CAD | CAQ | 178.8° | 180.0° |
| CAB | CAC | CAD | NAG | 152.5° | 90.0° |
| CAB | CAC | CAQ | CAP | 0.8° | 0.0° |
| CAC | CAB | CAA | HAA | 179.4° | 179.7° |
| CAB | CAC | CAD | HAD | 31.6° | 150.0° |
| CAB | CAC | CAD | HADA | 86.7° | 29.9° |
| CAB | CAC | CAQ | HAQ | 179.1° | 180.0° |
| CAC | CAD | NAG | HAD | 120.9° | 120.0° |
| CAC | CAD | NAG | HADA | 120.9° | 119.9° |
| CAC | CAD | NAG | CAF | 85.2° | 90.0° |
| CAC | CAD | NAG | CAH | 97.2° | 90.0° |
| CAD | CAC | CAQ | CAP | 179.6° | 180.0° |
| CAD | CAC | CAB | HAB | 0.1° | 0.1° |
| CAC | CAD | HAD | HADA | 117.3° | 120.0° |
| CAD | CAC | CAQ | HAQ | 0.4° | 0.0° |
| CAQ | CAC | CAD | NAG | 28.8° | 90.0° |
| CAC | CAQ | CAP | HAQ | 180.0° | 180.0° |
| CAC | CAQ | CAP | CAS | 0.2° | 0.0° |
| CAQ | CAC | CAB | HAB | 178.9° | 180.0° |
| CAQ | CAC | CAD | HAD | 149.6° | 30.0° |
| CAQ | CAC | CAD | HADA | 92.1° | 150.0° |
| CAC | CAQ | CAP | HAP | 179.8° | 180.0° |
| CAD | NAG | CAF | OAE | 2.1° | 0.0° |
| CAD | NAG | CAF | CAH | 177.6° | 180.0° |
| CAD | NAG | CAF | NAJ | 179.4° | 179.8° |
| CAD | NAG | CAH | NAI | 1.6° | 0.1° |
| CAD | NAG | CAH | CAL | 178.9° | 180.0° |
| NAG | CAD | HAD | HADA | 117.2° | 120.0° |
| OAE | CAF | NAG | NAJ | 178.5° | 179.7° |
| OAE | CAF | NAG | CAH | 179.7° | 180.0° |
| OAE | CAF | NAJ | CAK | 179.8° | 180.0° |
| OAE | CAF | NAJ | HNAJ | 0.2° | 0.0° |
| CAF | NAG | CAH | NAI | 179.2° | 179.9° |
| CAF | NAG | CAH | CAL | 1.3° | 0.0° |
| NAG | CAF | NAJ | CAK | 1.2° | 0.3° |
| CAF | NAG | CAD | HAD | 153.9° | 30.0° |
| CAF | NAG | CAD | HADA | 35.7° | 150.0° |
| NAG | CAF | NAJ | HNAJ | 178.8° | 179.7° |
| NAJ | CAF | NAG | CAH | 1.8° | 0.3° |
| CAF | NAJ | CAK | HNAJ | 180.0° | 180.0° |
| CAF | NAJ | CAK | CAL | 0.1° | 0.1° |
| CAF | NAJ | CAK | OAQ | 179.7° | 180.0° |
| NAG | CAH | NAI | CAL | 179.5° | 179.9° |
| NAG | CAH | CAL | CAK | 0.2° | 0.2° |
| NAG | CAH | CAL | NAM | 179.0° | 180.0° |
| CAH | NAG | CAD | HAD | 23.7° | 150.0° |
| CAH | NAG | CAD | HADA | 141.9° | 29.9° |
| NAG | CAH | NAI | HNAI | 180.0° | 0.1° |
| NAG | CAH | NAI | HNAA | 60.0° | 180.0° |
| NAI | CAH | CAL | CAK | 179.7° | 179.7° |
| NAI | CAH | CAL | NAM | 0.5° | 0.1° |
| CAH | NAI | HNAI | HNAA | 120.0° | 179.9° |
| CAH | CAL | CAK | NAJ | 0.4° | 0.2° |
| CAH | CAL | CAK | NAM | 179.2° | 179.8° |
| CAH | CAL | CAK | OAQ | 179.7° | 179.7° |
| CAH | CAL | NAM | CAN | 135.7° | 179.9° |
| CAL | CAH | NAI | HNAI | 0.5° | 180.0° |
| CAL | CAH | NAI | HNAA | 119.5° | 0.1° |
| CAH | CAL | NAM | HNAM | 102.2° | 0.0° |
| NAJ | CAK | CAL | OAQ | 179.9° | 179.9° |
| NAJ | CAK | CAL | NAM | 179.5° | 180.0° |
| CAK | CAL | NAM | CAN | 45.2° | 0.2° |
| CAL | CAK | NAJ | HNAJ | 179.9° | 180.0° |
| CAK | CAL | NAM | HNAM | 77.0° | 179.8° |
| OAQ | CAK | CAL | NAM | 0.6° | 0.1° |
| OAQ | CAK | NAJ | HNAJ | 0.2° | 0.0° |
| CAL | NAM | CAN | HNAM | 122.1° | 180.0° |
| CAL | NAM | CAN | CAR | 62.1° | 180.0° |
| CAL | NAM | CAN | HAN | 58.5° | 60.1° |
| CAL | NAM | CAN | HANA | 177.4° | 60.0° |
| NAM | CAN | CAR | HAN | 120.6° | 119.9° |
| NAM | CAN | CAR | HANA | 120.6° | 120.0° |
| NAM | CAN | HAN | HANA | 118.2° | 120.1° |
| NAM | CAN | CAR | HAR | 180.0° | 60.1° |
| NAM | CAN | CAR | HARA | 60.0° | 60.0° |
| NAM | CAN | CAR | HARB | 60.0° | 180.0° |
| CAR | CAN | NAM | HNAM | 175.8° | 0.1° |
| CAR | CAN | HAN | HANA | 118.2° | 120.0° |
| CAN | CAR | HAR | HARA | 120.0° | 120.0° |
| CAN | CAR | HAR | HARB | 120.0° | 120.0° |
| CAN | CAR | HARA | HARB | 120.0° | 120.1° |
| CAQ | CAP | CAS | HAP | 180.0° | 179.9° |
| CAQ | CAP | CAS | HAS | 179.8° | 180.0° |
| CAP | CAS | CAA | HAA | 180.0° | 179.7° |
| CAS | CAP | CAQ | HAQ | 179.7° | 179.9° |
| HAA | CAA | CAB | HAB | 0.6° | 0.3° |
| HAA | CAA | CAS | HAS | 0.0° | 0.2° |
| HNAM | NAM | CAN | HAN | 63.6° | 120.0° |
| HNAM | NAM | CAN | HANA | 55.3° | 119.9° |
| HAN | CAN | CAR | HAR | 59.4° | 180.0° |
| HAN | CAN | CAR | HARA | 179.4° | 60.0° |
| HAN | CAN | CAR | HARB | 60.6° | 60.0° |
| HANA | CAN | CAR | HAR | 59.4° | 60.0° |
| HANA | CAN | CAR | HARA | 60.6° | 180.0° |
| HANA | CAN | CAR | HARB | 179.4° | 60.0° |
| HAP | CAP | CAQ | HAQ | 0.2° | 0.0° |
| HAP | CAP | CAS | HAS | 0.2° | 0.1° |
| HAR | CAR | HARA | HARB | 120.0° | 119.9° |
