ANW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAA | CAL | doub | 1.33Å | 1.34Å | Aromatic |
NAA | CAM | sing | 1.32Å | 1.34Å | Aromatic |
NAB | CAM | sing | 1.38Å | 1.33Å | |
CAC | CAD | sing | 1.53Å | 1.53Å | |
CAD | CAE | sing | 1.53Å | 1.53Å | |
CAD | CAF | sing | 1.51Å | 1.39Å | |
CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAK | sing | 1.39Å | 1.39Å | Aromatic |
CAG | CAH | sing | 1.39Å | 1.39Å | Aromatic |
CAH | CAI | doub | 1.40Å | 1.39Å | Aromatic |
CAH | CAQ | sing | 1.48Å | 1.39Å | |
CAI | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
CAI | OAS | sing | 1.35Å | 1.36Å | |
CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
CAL | CAP | sing | 1.41Å | 1.39Å | Aromatic |
CAL | OAS | sing | 1.35Å | 1.36Å | |
CAM | CAN | doub | 1.41Å | 1.39Å | Aromatic |
CAN | CAO | sing | 1.40Å | 1.39Å | Aromatic |
CAN | CAR | sing | 1.47Å | 1.39Å | |
CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
CAP | CAQ | sing | 1.48Å | 1.39Å | |
CAQ | OAT | doub | 1.22Å | 1.23Å | |
CAR | OAU | doub | 1.22Å | 1.25Å | |
CAR | OAV | sing | 1.35Å | 1.25Å | |
NAB | HNAB | sing | 0.97Å | 1.00Å | |
NAB | HNAA | sing | 0.97Å | 1.00Å | |
CAC | HAC | sing | 1.09Å | 1.10Å | |
CAC | HACA | sing | 1.09Å | 1.10Å | |
CAC | HACB | sing | 1.09Å | 1.10Å | |
CAD | HAD | sing | 1.09Å | 1.10Å | |
CAE | HAE | sing | 1.09Å | 1.10Å | |
CAE | HAEA | sing | 1.09Å | 1.10Å | |
CAE | HAEB | sing | 1.09Å | 1.10Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
OAV | HOAV | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAL | NAA | CAM | 121.2° | 122.1° |
NAA | CAL | CAP | 120.2° | 119.7° |
NAA | CAL | OAS | 119.1° | 119.6° |
NAA | CAM | NAB | 121.0° | 119.4° |
NAA | CAM | CAN | 121.1° | 121.2° |
NAB | CAM | CAN | 116.5° | 119.4° |
CAM | NAB | HNAB | 109.5° | 120.0° |
CAM | NAB | HNAA | 109.5° | 120.0° |
CAC | CAD | CAE | 109.4° | 109.5° |
CAC | CAD | CAF | 109.6° | 109.5° |
CAD | CAC | HAC | 109.5° | 109.4° |
CAD | CAC | HACA | 109.4° | 109.4° |
CAD | CAC | HACB | 109.5° | 109.4° |
CAC | CAD | HAD | 109.8° | 109.4° |
CAE | CAD | CAF | 110.6° | 109.5° |
CAE | CAD | HAD | 108.8° | 109.5° |
CAD | CAE | HAE | 109.5° | 109.5° |
CAD | CAE | HAEA | 109.5° | 109.4° |
CAD | CAE | HAEB | 109.5° | 109.5° |
CAD | CAF | CAG | 119.5° | 119.9° |
CAD | CAF | CAK | 120.7° | 119.9° |
CAF | CAD | HAD | 108.6° | 109.5° |
CAG | CAF | CAK | 119.7° | 120.1° |
CAF | CAG | CAH | 120.2° | 119.5° |
CAF | CAG | HAG | 119.9° | 120.2° |
CAF | CAK | CAJ | 120.2° | 120.8° |
CAF | CAK | HAK | 119.9° | 119.7° |
CAG | CAH | CAI | 120.0° | 120.6° |
CAG | CAH | CAQ | 119.9° | 121.1° |
CAH | CAG | HAG | 119.9° | 120.3° |
CAI | CAH | CAQ | 119.7° | 118.3° |
CAH | CAI | CAJ | 119.9° | 118.8° |
CAH | CAI | OAS | 120.0° | 121.2° |
CAH | CAQ | CAP | 117.4° | 115.8° |
CAH | CAQ | OAT | 121.3° | 122.1° |
CAJ | CAI | OAS | 119.9° | 120.0° |
CAI | CAJ | CAK | 119.9° | 120.1° |
CAI | CAJ | HAJ | 120.1° | 119.9° |
CAI | OAS | CAL | 119.4° | 122.1° |
CAK | CAJ | HAJ | 120.0° | 120.0° |
CAJ | CAK | HAK | 119.9° | 119.6° |
CAP | CAL | OAS | 117.9° | 120.8° |
CAL | CAP | CAO | 119.7° | 120.3° |
CAL | CAP | CAQ | 119.2° | 118.6° |
CAM | CAN | CAO | 118.7° | 118.8° |
CAM | CAN | CAR | 120.9° | 120.6° |
CAO | CAN | CAR | 120.0° | 120.6° |
CAN | CAO | CAP | 119.1° | 117.9° |
CAN | CAO | HAO | 120.5° | 121.0° |
CAN | CAR | OAU | 119.8° | 120.0° |
CAN | CAR | OAV | 120.2° | 120.0° |
CAO | CAP | CAQ | 120.3° | 121.1° |
CAP | CAO | HAO | 120.4° | 121.0° |
CAP | CAQ | OAT | 121.3° | 122.1° |
OAU | CAR | OAV | 120.0° | 120.0° |
CAR | OAV | HOAV | 109.5° | 117.0° |
HNAB | NAB | HNAA | 109.5° | 119.9° |
HAC | CAC | HACA | 109.5° | 109.5° |
HAC | CAC | HACB | 109.5° | 109.5° |
HACA | CAC | HACB | 109.5° | 109.6° |
HAE | CAE | HAEA | 109.5° | 109.5° |
HAE | CAE | HAEB | 109.5° | 109.4° |
HAEA | CAE | HAEB | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAL | NAA | CAM | NAB | 165.9° | 179.9° |
NAA | CAL | OAS | CAI | 177.8° | 163.9° |
NAA | CAL | CAP | OAS | 160.9° | 179.6° |
CAL | NAA | CAM | CAN | 0.2° | 0.1° |
NAA | CAL | CAP | CAO | 0.1° | 0.7° |
NAA | CAL | CAP | CAQ | 169.4° | 179.0° |
NAA | CAM | NAB | CAN | 166.7° | 180.0° |
CAM | NAA | CAL | CAP | 0.2° | 0.4° |
CAM | NAA | CAL | OAS | 160.8° | 179.2° |
NAA | CAM | CAN | CAO | 0.7° | 0.3° |
NAA | CAM | CAN | CAR | 171.9° | 179.7° |
NAA | CAM | NAB | HNAB | 0.0° | 5.7° |
NAA | CAM | NAB | HNAA | 120.0° | 174.3° |
NAB | CAM | CAN | CAO | 166.0° | 179.7° |
NAB | CAM | CAN | CAR | 21.4° | 0.3° |
CAM | NAB | HNAB | HNAA | 120.0° | 180.0° |
CAC | CAD | CAE | CAF | 120.8° | 120.0° |
CAC | CAD | CAE | HAD | 120.0° | 120.0° |
CAC | CAD | CAF | HAD | 120.0° | 119.9° |
CAC | CAD | CAF | CAG | 104.1° | 120.0° |
CAC | CAD | CAF | CAK | 73.5° | 60.0° |
CAD | CAC | HAC | HACA | 120.0° | 119.9° |
CAD | CAC | HAC | HACB | 120.0° | 119.9° |
CAD | CAC | HACA | HACB | 120.0° | 120.0° |
CAC | CAD | CAE | HAE | 180.0° | 60.0° |
CAC | CAD | CAE | HAEA | 60.0° | 180.0° |
CAC | CAD | CAE | HAEB | 60.0° | 60.0° |
CAE | CAD | CAF | HAD | 119.3° | 120.1° |
CAE | CAD | CAF | CAG | 135.2° | 120.0° |
CAE | CAD | CAF | CAK | 47.2° | 60.0° |
CAE | CAD | CAC | HAC | 180.0° | 60.0° |
CAE | CAD | CAC | HACA | 60.0° | 180.0° |
CAE | CAD | CAC | HACB | 60.0° | 60.0° |
CAD | CAE | HAE | HAEA | 120.0° | 120.0° |
CAD | CAE | HAE | HAEB | 120.0° | 120.0° |
CAD | CAE | HAEA | HAEB | 120.0° | 120.0° |
CAD | CAF | CAG | CAK | 177.6° | 180.0° |
CAD | CAF | CAG | CAH | 177.6° | 180.0° |
CAD | CAF | CAK | CAJ | 178.5° | 179.8° |
CAF | CAD | CAC | HAC | 58.6° | 180.0° |
CAF | CAD | CAC | HACA | 178.6° | 60.0° |
CAF | CAD | CAC | HACB | 61.4° | 60.0° |
CAF | CAD | CAE | HAE | 59.2° | 60.0° |
CAF | CAD | CAE | HAEA | 60.8° | 60.0° |
CAF | CAD | CAE | HAEB | 179.2° | 180.0° |
CAD | CAF | CAG | HAG | 2.4° | 0.0° |
CAD | CAF | CAK | HAK | 1.5° | 0.1° |
CAF | CAG | CAH | HAG | 180.0° | 180.0° |
CAF | CAG | CAH | CAI | 1.1° | 0.2° |
CAF | CAG | CAH | CAQ | 171.5° | 179.3° |
CAG | CAF | CAK | CAJ | 0.9° | 0.1° |
CAG | CAF | CAD | HAD | 15.9° | 0.0° |
CAG | CAF | CAK | HAK | 179.1° | 179.9° |
CAK | CAF | CAG | CAH | 0.0° | 0.0° |
CAF | CAK | CAJ | CAI | 0.7° | 0.0° |
CAF | CAK | CAJ | HAK | 180.0° | 180.0° |
CAK | CAF | CAD | HAD | 166.5° | 180.0° |
CAK | CAF | CAG | HAG | 180.0° | 180.0° |
CAF | CAK | CAJ | HAJ | 179.3° | 180.0° |
CAG | CAH | CAI | CAQ | 172.5° | 179.5° |
CAG | CAH | CAI | CAJ | 1.3° | 0.3° |
CAG | CAH | CAI | OAS | 173.9° | 179.2° |
CAG | CAH | CAQ | CAP | 177.6° | 167.0° |
CAG | CAH | CAQ | OAT | 3.1° | 13.0° |
CAH | CAI | CAJ | OAS | 175.2° | 179.6° |
CAH | CAI | CAJ | CAK | 0.4° | 0.2° |
CAH | CAI | OAS | CAL | 0.2° | 16.5° |
CAI | CAH | CAQ | CAP | 5.0° | 12.5° |
CAI | CAH | CAQ | OAT | 175.6° | 167.5° |
CAI | CAH | CAG | HAG | 179.0° | 179.8° |
CAH | CAI | CAJ | HAJ | 179.6° | 179.8° |
CAQ | CAH | CAI | CAJ | 171.3° | 179.2° |
CAQ | CAH | CAI | OAS | 13.6° | 1.2° |
CAH | CAQ | CAP | CAL | 16.3° | 12.4° |
CAH | CAQ | CAP | CAO | 174.4° | 167.2° |
CAH | CAQ | CAP | OAT | 179.3° | 180.0° |
CAQ | CAH | CAG | HAG | 8.5° | 0.7° |
CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
CAJ | CAI | OAS | CAL | 175.3° | 163.9° |
CAI | CAJ | CAK | HAK | 179.3° | 180.0° |
OAS | CAI | CAJ | CAK | 174.8° | 179.4° |
CAI | OAS | CAL | CAP | 21.1° | 16.5° |
OAS | CAI | CAJ | HAJ | 5.2° | 0.6° |
CAL | CAP | CAO | CAN | 0.4° | 0.4° |
CAL | CAP | CAO | CAQ | 169.2° | 179.6° |
CAL | CAP | CAQ | OAT | 163.0° | 167.6° |
CAL | CAP | CAO | HAO | 179.6° | 179.6° |
OAS | CAL | CAP | CAO | 161.0° | 178.9° |
OAS | CAL | CAP | CAQ | 29.7° | 1.4° |
CAM | CAN | CAO | CAR | 172.7° | 180.0° |
CAM | CAN | CAO | CAP | 0.8° | 0.0° |
CAM | CAN | CAR | OAU | 175.5° | 5.9° |
CAM | CAN | CAR | OAV | 5.8° | 174.0° |
CAN | CAM | NAB | HNAB | 166.7° | 174.3° |
CAN | CAM | NAB | HNAA | 73.3° | 5.7° |
CAM | CAN | CAO | HAO | 179.2° | 180.0° |
CAN | CAO | CAP | HAO | 180.0° | 180.0° |
CAN | CAO | CAP | CAQ | 168.8° | 179.2° |
CAO | CAN | CAR | OAU | 11.9° | 174.1° |
CAO | CAN | CAR | OAV | 166.8° | 6.0° |
CAR | CAN | CAO | CAP | 171.9° | 179.9° |
CAN | CAR | OAU | OAV | 178.7° | 180.0° |
CAR | CAN | CAO | HAO | 8.1° | 0.1° |
CAN | CAR | OAV | HOAV | 178.7° | 180.0° |
CAO | CAP | CAQ | OAT | 6.3° | 12.8° |
CAQ | CAP | CAO | HAO | 11.3° | 0.8° |
OAU | CAR | OAV | HOAV | 0.0° | 0.0° |
HAC | CAC | HACA | HACB | 120.0° | 120.1° |
HAC | CAC | CAD | HAD | 60.6° | 60.0° |
HACA | CAC | CAD | HAD | 59.3° | 59.9° |
HACB | CAC | CAD | HAD | 179.3° | 180.0° |
HAD | CAD | CAE | HAE | 60.0° | 180.0° |
HAD | CAD | CAE | HAEA | 180.0° | 60.0° |
HAD | CAD | CAE | HAEB | 60.0° | 60.0° |
HAE | CAE | HAEA | HAEB | 120.0° | 120.0° |
HAJ | CAJ | CAK | HAK | 0.7° | 0.0° |