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° |
