AX1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAG | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAO | sing | 1.40Å | 1.40Å | Aromatic |
CAQ | OAM | sing | 1.37Å | 1.36Å | |
CAQ | CAP | sing | 1.40Å | 1.40Å | Aromatic |
OAM | CAH | sing | 1.44Å | 1.44Å | |
CAH | OAL | sing | 1.44Å | 1.44Å | |
OAL | CAP | sing | 1.36Å | 1.36Å | |
CAP | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
CAE | CAO | doub | 1.40Å | 1.40Å | Aromatic |
CAO | CAS | sing | 1.48Å | 1.40Å | Aromatic |
CAS | NAK | sing | 1.37Å | 1.33Å | Aromatic |
CAS | CAR | doub | 1.39Å | 1.39Å | Aromatic |
NAK | CAU | sing | 1.37Å | 1.34Å | Aromatic |
CAU | NAI | sing | 1.34Å | 1.35Å | |
CAU | CAV | doub | 1.40Å | 1.40Å | Aromatic |
NAI | CAN | doub | 1.31Å | 1.35Å | |
CAN | NAB | sing | 1.37Å | 1.33Å | |
CAN | NAJ | sing | 1.36Å | 1.41Å | |
NAJ | CAT | sing | 1.35Å | 1.40Å | |
CAT | OAC | doub | 1.22Å | 1.23Å | |
CAT | CAV | sing | 1.41Å | 1.39Å | |
CAV | CAR | sing | 1.47Å | 1.38Å | Aromatic |
CAR | CAD | sing | 1.43Å | 1.44Å | |
CAD | NAA | trip | 1.14Å | 1.14Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.09Å | 1.10Å | |
CAH | HAHA | sing | 1.09Å | 1.10Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
NAK | HNAK | sing | 0.97Å | 1.00Å | |
NAB | HNAB | sing | 0.97Å | 1.00Å | |
NAB | HNAA | sing | 0.97Å | 1.00Å | |
NAJ | HNAJ | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAQ | CAG | CAO | 120.1° | 119.9° |
CAG | CAQ | OAM | 131.7° | 131.4° |
CAG | CAQ | CAP | 120.1° | 120.0° |
CAQ | CAG | HAG | 119.9° | 120.0° |
CAG | CAO | CAE | 119.1° | 119.8° |
CAG | CAO | CAS | 119.4° | 120.1° |
CAO | CAG | HAG | 119.9° | 120.1° |
OAM | CAQ | CAP | 108.3° | 108.6° |
CAQ | OAM | CAH | 103.7° | 105.5° |
CAQ | CAP | OAL | 108.5° | 108.5° |
CAQ | CAP | CAF | 120.2° | 120.1° |
OAM | CAH | OAL | 103.6° | 103.8° |
OAM | CAH | HAH | 111.5° | 110.6° |
OAM | CAH | HAHA | 112.7° | 110.5° |
CAH | OAL | CAP | 103.8° | 105.5° |
OAL | CAH | HAH | 111.4° | 110.6° |
OAL | CAH | HAHA | 112.7° | 110.6° |
OAL | CAP | CAF | 131.3° | 131.4° |
CAP | CAF | CAE | 119.3° | 120.3° |
CAP | CAF | HAF | 120.4° | 119.9° |
CAF | CAE | CAO | 121.2° | 120.0° |
CAE | CAF | HAF | 120.3° | 119.8° |
CAF | CAE | HAE | 119.4° | 120.1° |
CAE | CAO | CAS | 121.5° | 120.1° |
CAO | CAE | HAE | 119.4° | 120.0° |
CAO | CAS | NAK | 128.0° | 125.6° |
CAO | CAS | CAR | 124.4° | 125.5° |
NAK | CAS | CAR | 107.6° | 108.9° |
CAS | NAK | CAU | 110.2° | 110.6° |
CAS | NAK | HNAK | 124.9° | 124.7° |
CAS | CAR | CAV | 107.9° | 106.0° |
CAS | CAR | CAD | 126.3° | 127.0° |
NAK | CAU | NAI | 131.2° | 133.0° |
NAK | CAU | CAV | 108.6° | 108.0° |
CAU | NAK | HNAK | 124.9° | 124.7° |
NAI | CAU | CAV | 120.2° | 119.0° |
CAU | NAI | CAN | 121.7° | 121.3° |
CAU | CAV | CAT | 119.9° | 119.2° |
CAU | CAV | CAR | 105.8° | 106.5° |
NAI | CAN | NAB | 120.0° | 118.9° |
NAI | CAN | NAJ | 120.3° | 122.1° |
NAB | CAN | NAJ | 119.7° | 119.0° |
CAN | NAB | HNAB | 110.4° | 120.0° |
CAN | NAB | HNAA | 124.8° | 120.0° |
CAN | NAJ | CAT | 119.2° | 120.1° |
CAN | NAJ | HNAJ | 120.4° | 120.0° |
NAJ | CAT | OAC | 119.8° | 120.9° |
NAJ | CAT | CAV | 118.8° | 118.2° |
CAT | NAJ | HNAJ | 120.4° | 119.9° |
OAC | CAT | CAV | 121.4° | 120.9° |
CAT | CAV | CAR | 134.3° | 134.3° |
CAV | CAR | CAD | 125.9° | 127.0° |
CAR | CAD | NAA | 178.8° | 180.0° |
HAH | CAH | HAHA | 105.0° | 110.6° |
HNAB | NAB | HNAA | 124.7° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAQ | CAG | CAO | HAG | 180.0° | 179.7° |
CAG | CAQ | OAM | CAP | 180.0° | 180.0° |
CAG | CAQ | OAM | CAH | 159.0° | 162.7° |
CAG | CAQ | CAP | OAL | 180.0° | 180.0° |
CAG | CAQ | CAP | CAF | 0.1° | 0.0° |
CAQ | CAG | CAO | CAE | 0.0° | 0.1° |
CAQ | CAG | CAO | CAS | 179.4° | 180.0° |
CAO | CAG | CAQ | OAM | 180.0° | 180.0° |
CAO | CAG | CAQ | CAP | 0.0° | 0.0° |
CAG | CAO | CAE | CAF | 0.1° | 0.1° |
CAG | CAO | CAE | CAS | 179.3° | 179.9° |
CAG | CAO | CAS | NAK | 27.7° | 45.0° |
CAG | CAO | CAS | CAR | 150.6° | 135.3° |
CAG | CAO | CAE | HAE | 179.9° | 180.0° |
CAQ | OAM | CAH | OAL | 33.3° | 27.3° |
OAM | CAQ | CAP | OAL | 0.0° | 0.0° |
OAM | CAQ | CAP | CAF | 179.8° | 179.9° |
OAM | CAQ | CAG | HAG | 0.0° | 0.3° |
CAQ | OAM | CAH | HAH | 86.7° | 91.4° |
CAQ | OAM | CAH | HAHA | 155.4° | 145.8° |
CAP | CAQ | OAM | CAH | 20.9° | 17.4° |
CAQ | CAP | OAL | CAH | 21.0° | 17.3° |
CAQ | CAP | OAL | CAF | 179.8° | 180.0° |
CAQ | CAP | CAF | CAE | 0.3° | 0.0° |
CAP | CAQ | CAG | HAG | 180.0° | 179.7° |
CAQ | CAP | CAF | HAF | 179.7° | 179.9° |
OAM | CAH | OAL | HAH | 120.0° | 118.6° |
OAM | CAH | OAL | HAHA | 122.2° | 118.5° |
OAM | CAH | OAL | CAP | 33.3° | 27.3° |
OAM | CAH | HAH | HAHA | 122.4° | 122.7° |
CAH | OAL | CAP | CAF | 158.8° | 162.7° |
OAL | CAH | HAH | HAHA | 122.3° | 122.8° |
OAL | CAP | CAF | CAE | 179.9° | 179.9° |
CAP | OAL | CAH | HAH | 86.8° | 91.4° |
CAP | OAL | CAH | HAHA | 155.5° | 145.8° |
OAL | CAP | CAF | HAF | 0.1° | 0.1° |
CAP | CAF | CAE | HAF | 180.0° | 179.9° |
CAP | CAF | CAE | CAO | 0.3° | 0.1° |
CAP | CAF | CAE | HAE | 179.7° | 180.0° |
CAF | CAE | CAO | HAE | 180.0° | 179.9° |
CAF | CAE | CAO | CAS | 179.2° | 179.9° |
CAE | CAO | CAS | NAK | 152.9° | 135.1° |
CAE | CAO | CAS | CAR | 28.8° | 44.6° |
CAE | CAO | CAG | HAG | 180.0° | 179.6° |
CAO | CAE | CAF | HAF | 179.7° | 179.9° |
CAO | CAS | NAK | CAR | 178.5° | 179.8° |
CAO | CAS | NAK | CAU | 179.3° | 180.0° |
CAO | CAS | CAR | CAV | 179.3° | 179.9° |
CAO | CAS | CAR | CAD | 1.2° | 0.0° |
CAS | CAO | CAG | HAG | 0.6° | 0.4° |
CAS | CAO | CAE | HAE | 0.8° | 0.0° |
CAO | CAS | NAK | HNAK | 0.7° | 0.0° |
CAS | NAK | CAU | HNAK | 180.0° | 179.9° |
CAS | NAK | CAU | NAI | 179.7° | 180.0° |
CAS | NAK | CAU | CAV | 0.6° | 0.1° |
NAK | CAS | CAR | CAV | 0.7° | 0.3° |
NAK | CAS | CAR | CAD | 179.8° | 179.7° |
CAR | CAS | NAK | CAU | 0.8° | 0.2° |
CAS | CAR | CAV | CAU | 0.3° | 0.3° |
CAS | CAR | CAV | CAT | 179.7° | 180.0° |
CAS | CAR | CAV | CAD | 179.6° | 179.9° |
CAS | CAR | CAD | NAA | 2.2° | 151.5° |
CAR | CAS | NAK | HNAK | 179.2° | 179.7° |
NAK | CAU | NAI | CAV | 179.7° | 179.9° |
NAK | CAU | NAI | CAN | 179.7° | 180.0° |
NAK | CAU | CAV | CAT | 179.8° | 180.0° |
NAK | CAU | CAV | CAR | 0.1° | 0.2° |
CAU | NAI | CAN | NAB | 179.7° | 179.9° |
CAU | NAI | CAN | NAJ | 0.0° | 0.0° |
NAI | CAU | CAV | CAT | 0.1° | 0.1° |
NAI | CAU | CAV | CAR | 179.9° | 179.8° |
NAI | CAU | NAK | HNAK | 0.3° | 0.1° |
CAV | CAU | NAI | CAN | 0.0° | 0.1° |
CAU | CAV | CAT | NAJ | 0.2° | 0.0° |
CAU | CAV | CAT | OAC | 179.8° | 179.9° |
CAU | CAV | CAT | CAR | 179.9° | 179.7° |
CAU | CAV | CAR | CAD | 179.9° | 179.7° |
CAV | CAU | NAK | HNAK | 179.4° | 180.0° |
NAI | CAN | NAB | NAJ | 179.7° | 179.9° |
NAI | CAN | NAJ | CAT | 0.2° | 0.0° |
NAI | CAN | NAB | HNAB | 180.0° | 0.0° |
NAI | CAN | NAB | HNAA | 0.0° | 180.0° |
NAI | CAN | NAJ | HNAJ | 179.8° | 180.0° |
NAB | CAN | NAJ | CAT | 179.9° | 180.0° |
CAN | NAB | HNAB | HNAA | 180.0° | 180.0° |
NAB | CAN | NAJ | HNAJ | 0.1° | 0.0° |
CAN | NAJ | CAT | HNAJ | 180.0° | 180.0° |
CAN | NAJ | CAT | OAC | 179.8° | 180.0° |
CAN | NAJ | CAT | CAV | 0.3° | 0.0° |
NAJ | CAN | NAB | HNAB | 0.3° | 180.0° |
NAJ | CAN | NAB | HNAA | 179.7° | 0.1° |
NAJ | CAT | OAC | CAV | 179.9° | 180.0° |
NAJ | CAT | CAV | CAR | 179.7° | 179.7° |
OAC | CAT | CAV | CAR | 0.2° | 0.3° |
OAC | CAT | NAJ | HNAJ | 0.2° | 0.0° |
CAT | CAV | CAR | CAD | 0.2° | 0.0° |
CAV | CAT | NAJ | HNAJ | 179.7° | 180.0° |
CAV | CAR | CAD | NAA | 177.2° | 28.5° |
HAF | CAF | CAE | HAE | 0.3° | 0.1° |