A1CXP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAM | CAB | sing | 1.43Å | 1.45Å | |
| CAT | OAM | sing | 1.36Å | 1.38Å | |
| CAT | CAI | doub | 1.36Å | 1.38Å | Aromatic |
| CAT | CAR | sing | 1.40Å | 1.37Å | Aromatic |
| CAW | CAI | sing | 1.42Å | 1.34Å | Aromatic |
| CAR | OAF | sing | 1.36Å | 1.37Å | |
| CAR | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CAJ | sing | 1.40Å | 1.33Å | Aromatic |
| CAX | SAN | sing | 1.76Å | 1.69Å | Aromatic |
| CAX | CAW | doub | 1.40Å | 1.37Å | Aromatic |
| CAV | SAN | sing | 1.76Å | 1.68Å | Aromatic |
| CAW | NAK | sing | 1.33Å | 1.36Å | Aromatic |
| CAV | NAK | doub | 1.29Å | 1.35Å | Aromatic |
| CAV | CAO | sing | 1.48Å | 1.36Å | |
| CAO | OAC | doub | 1.22Å | 1.23Å | |
| CAU | CAO | sing | 1.47Å | 1.42Å | |
| CAU | CAH | doub | 1.40Å | 1.41Å | Aromatic |
| CAU | CAQ | sing | 1.40Å | 1.42Å | Aromatic |
| CAP | CAH | sing | 1.38Å | 1.43Å | Aromatic |
| CAP | OAD | sing | 1.36Å | 1.38Å | |
| CAP | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAS | OAL | sing | 1.36Å | 1.40Å | |
| CAS | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| OAL | CAA | sing | 1.43Å | 1.43Å | |
| CAQ | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | OAE | sing | 1.36Å | 1.35Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAK | sing | 1.09Å | 1.10Å | |
| CAA | HAL | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HAC | sing | 1.09Å | 1.10Å | |
| CAB | HAD | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| OAD | HAM | sing | 0.97Å | 0.95Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | OAM | CAT | 110.4° | 117.0° |
| OAM | CAB | HAB | 109.5° | 109.4° |
| OAM | CAB | HAC | 109.5° | 109.5° |
| OAM | CAB | HAD | 109.5° | 109.4° |
| OAM | CAT | CAI | 126.2° | 119.6° |
| OAM | CAT | CAR | 114.5° | 119.6° |
| CAI | CAT | CAR | 119.2° | 120.8° |
| CAT | CAI | CAW | 118.8° | 120.5° |
| CAT | CAI | HAI | 120.6° | 119.8° |
| CAT | CAR | OAF | 112.8° | 120.1° |
| CAT | CAR | CAJ | 121.4° | 119.9° |
| CAI | CAW | CAX | 121.3° | 118.4° |
| CAI | CAW | NAK | 124.8° | 128.7° |
| CAW | CAI | HAI | 120.6° | 119.7° |
| OAF | CAR | CAJ | 125.6° | 120.0° |
| CAR | OAF | HAF | 109.5° | 114.0° |
| CAR | CAJ | CAX | 117.2° | 120.0° |
| CAR | CAJ | HAJ | 121.4° | 120.0° |
| CAJ | CAX | SAN | 129.5° | 131.3° |
| CAJ | CAX | CAW | 121.9° | 120.4° |
| CAX | CAJ | HAJ | 121.4° | 119.9° |
| SAN | CAX | CAW | 108.5° | 108.3° |
| CAX | SAN | CAV | 94.2° | 90.3° |
| CAX | CAW | NAK | 113.8° | 112.9° |
| SAN | CAV | NAK | 109.2° | 110.3° |
| SAN | CAV | CAO | 123.5° | 124.9° |
| CAW | NAK | CAV | 114.4° | 118.3° |
| NAK | CAV | CAO | 127.3° | 124.9° |
| CAV | CAO | OAC | 118.1° | 120.0° |
| CAV | CAO | CAU | 121.9° | 120.0° |
| OAC | CAO | CAU | 118.8° | 120.0° |
| CAO | CAU | CAH | 125.5° | 120.2° |
| CAO | CAU | CAQ | 118.9° | 120.1° |
| CAH | CAU | CAQ | 115.3° | 119.7° |
| CAU | CAH | CAP | 120.5° | 119.9° |
| CAU | CAH | HAH | 119.7° | 120.0° |
| CAU | CAQ | CAG | 124.8° | 119.8° |
| CAU | CAQ | OAE | 117.0° | 120.1° |
| CAH | CAP | OAD | 124.7° | 120.0° |
| CAH | CAP | CAS | 121.8° | 120.1° |
| CAP | CAH | HAH | 119.7° | 120.0° |
| OAD | CAP | CAS | 113.5° | 119.9° |
| CAP | OAD | HAM | 109.5° | 114.1° |
| CAP | CAS | OAL | 117.1° | 119.8° |
| CAP | CAS | CAG | 118.2° | 120.2° |
| OAL | CAS | CAG | 124.6° | 119.9° |
| CAS | OAL | CAA | 113.1° | 116.9° |
| CAS | CAG | CAQ | 119.1° | 120.1° |
| CAS | CAG | HAG | 120.4° | 119.9° |
| OAL | CAA | HAA | 109.5° | 109.5° |
| OAL | CAA | HAK | 109.5° | 109.5° |
| OAL | CAA | HAL | 109.5° | 109.5° |
| CAG | CAQ | OAE | 118.1° | 120.1° |
| CAQ | CAG | HAG | 120.5° | 119.9° |
| CAQ | OAE | HAE | 109.5° | 114.0° |
| HAA | CAA | HAK | 109.4° | 109.5° |
| HAA | CAA | HAL | 109.5° | 109.5° |
| HAK | CAA | HAL | 109.5° | 109.5° |
| HAB | CAB | HAC | 109.5° | 109.5° |
| HAB | CAB | HAD | 109.5° | 109.5° |
| HAC | CAB | HAD | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | OAM | CAT | CAI | 4.2° | 0.0° |
| CAB | OAM | CAT | CAR | 179.1° | 179.9° |
| OAM | CAB | HAB | HAC | 120.0° | 120.0° |
| OAM | CAB | HAB | HAD | 120.0° | 119.9° |
| OAM | CAB | HAC | HAD | 120.0° | 119.9° |
| OAM | CAT | CAI | CAR | 176.5° | 179.9° |
| OAM | CAT | CAI | CAW | 178.8° | 179.7° |
| OAM | CAT | CAR | OAF | 2.5° | 0.1° |
| OAM | CAT | CAR | CAJ | 179.1° | 180.0° |
| CAT | OAM | CAB | HAB | 180.0° | 180.0° |
| CAT | OAM | CAB | HAC | 60.0° | 59.9° |
| CAT | OAM | CAB | HAD | 60.0° | 60.0° |
| OAM | CAT | CAI | HAI | 1.2° | 0.1° |
| CAT | CAI | CAW | HAI | 180.0° | 179.6° |
| CAI | CAT | CAR | OAF | 179.4° | 180.0° |
| CAI | CAT | CAR | CAJ | 4.1° | 0.2° |
| CAT | CAI | CAW | CAX | 1.2° | 0.4° |
| CAT | CAI | CAW | NAK | 177.2° | 179.8° |
| CAR | CAT | CAI | CAW | 2.3° | 0.4° |
| CAT | CAR | OAF | CAJ | 176.4° | 179.9° |
| CAT | CAR | CAJ | CAX | 4.7° | 0.1° |
| CAR | CAT | CAI | HAI | 177.7° | 180.0° |
| CAT | CAR | CAJ | HAJ | 175.4° | 180.0° |
| CAT | CAR | OAF | HAF | 180.0° | 90.1° |
| CAI | CAW | CAX | CAJ | 2.0° | 0.1° |
| CAI | CAW | CAX | SAN | 177.9° | 179.8° |
| CAI | CAW | CAX | NAK | 178.6° | 179.9° |
| CAI | CAW | NAK | CAV | 178.4° | 180.0° |
| OAF | CAR | CAJ | CAX | 179.2° | 179.8° |
| OAF | CAR | CAJ | HAJ | 0.7° | 0.1° |
| CAR | CAJ | CAX | HAJ | 180.0° | 179.9° |
| CAR | CAJ | CAX | SAN | 178.6° | 180.0° |
| CAR | CAJ | CAX | CAW | 3.6° | 0.1° |
| CAJ | CAR | OAF | HAF | 3.6° | 90.0° |
| CAJ | CAX | SAN | CAW | 175.5° | 180.0° |
| CAJ | CAX | SAN | CAV | 176.4° | 179.9° |
| CAJ | CAX | CAW | NAK | 176.6° | 180.0° |
| SAN | CAX | CAW | NAK | 0.7° | 0.1° |
| CAX | SAN | CAV | NAK | 0.8° | 0.2° |
| CAX | SAN | CAV | CAO | 180.0° | 180.0° |
| SAN | CAX | CAJ | HAJ | 1.4° | 0.0° |
| CAW | CAX | SAN | CAV | 0.8° | 0.1° |
| CAX | CAW | NAK | CAV | 0.1° | 0.1° |
| CAX | CAW | CAI | HAI | 178.7° | 180.0° |
| CAW | CAX | CAJ | HAJ | 176.4° | 180.0° |
| SAN | CAV | NAK | CAW | 0.5° | 0.2° |
| SAN | CAV | NAK | CAO | 179.2° | 179.8° |
| SAN | CAV | CAO | OAC | 0.9° | 177.8° |
| SAN | CAV | CAO | CAU | 168.4° | 2.2° |
| CAW | NAK | CAV | CAO | 179.7° | 180.0° |
| NAK | CAW | CAI | HAI | 2.8° | 0.1° |
| NAK | CAV | CAO | OAC | 178.2° | 2.4° |
| NAK | CAV | CAO | CAU | 10.7° | 177.6° |
| CAV | CAO | OAC | CAU | 167.9° | 180.0° |
| CAV | CAO | CAU | CAH | 7.8° | 104.4° |
| CAV | CAO | CAU | CAQ | 179.1° | 75.5° |
| OAC | CAO | CAU | CAH | 159.7° | 75.6° |
| OAC | CAO | CAU | CAQ | 13.5° | 104.5° |
| CAO | CAU | CAH | CAQ | 173.4° | 179.9° |
| CAO | CAU | CAH | CAP | 177.3° | 179.8° |
| CAO | CAU | CAQ | CAG | 178.5° | 179.9° |
| CAO | CAU | CAQ | OAE | 4.1° | 0.0° |
| CAO | CAU | CAH | HAH | 2.7° | 0.1° |
| CAU | CAH | CAP | HAH | 180.0° | 179.7° |
| CAU | CAH | CAP | OAD | 179.0° | 179.7° |
| CAU | CAH | CAP | CAS | 2.1° | 0.3° |
| CAH | CAU | CAQ | CAG | 4.7° | 0.0° |
| CAH | CAU | CAQ | OAE | 178.0° | 179.9° |
| CAQ | CAU | CAH | CAP | 3.9° | 0.3° |
| CAU | CAQ | CAG | CAS | 3.4° | 0.2° |
| CAU | CAQ | CAG | OAE | 177.3° | 179.9° |
| CAU | CAQ | CAG | HAG | 176.6° | 180.0° |
| CAQ | CAU | CAH | HAH | 176.1° | 180.0° |
| CAU | CAQ | OAE | HAE | 10.1° | 90.0° |
| CAH | CAP | OAD | CAS | 178.9° | 180.0° |
| CAH | CAP | CAS | OAL | 179.8° | 180.0° |
| CAH | CAP | CAS | CAG | 0.6° | 0.1° |
| CAH | CAP | OAD | HAM | 180.0° | 89.9° |
| OAD | CAP | CAS | OAL | 0.8° | 0.0° |
| OAD | CAP | CAS | CAG | 179.6° | 179.9° |
| OAD | CAP | CAH | HAH | 0.9° | 0.0° |
| CAP | CAS | OAL | CAG | 179.6° | 179.9° |
| CAP | CAS | OAL | CAA | 179.8° | 180.0° |
| CAP | CAS | CAG | CAQ | 1.2° | 0.2° |
| CAP | CAS | CAG | HAG | 178.8° | 180.0° |
| CAS | CAP | CAH | HAH | 177.9° | 180.0° |
| CAS | CAP | OAD | HAM | 1.1° | 90.1° |
| OAL | CAS | CAG | CAQ | 179.3° | 179.7° |
| CAS | OAL | CAA | HAA | 180.0° | 180.0° |
| CAS | OAL | CAA | HAK | 60.0° | 60.0° |
| CAS | OAL | CAA | HAL | 60.0° | 60.0° |
| OAL | CAS | CAG | HAG | 0.7° | 0.0° |
| CAG | CAS | OAL | CAA | 0.6° | 0.0° |
| CAS | CAG | CAQ | HAG | 180.0° | 179.8° |
| CAS | CAG | CAQ | OAE | 179.3° | 179.8° |
| OAL | CAA | HAA | HAK | 120.0° | 120.0° |
| OAL | CAA | HAA | HAL | 120.0° | 120.0° |
| OAL | CAA | HAK | HAL | 120.0° | 120.0° |
| CAG | CAQ | OAE | HAE | 172.4° | 90.1° |
| OAE | CAQ | CAG | HAG | 0.7° | 0.0° |
| HAA | CAA | HAK | HAL | 120.0° | 120.0° |
| HAB | CAB | HAC | HAD | 120.0° | 120.1° |






