4A2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAA | CAC | sing | 1.40Å | 1.34Å | |
| CAC | FAB | sing | 1.40Å | 1.33Å | |
| CAC | FAG | sing | 1.40Å | 1.31Å | |
| CAC | CAD | sing | 1.51Å | 1.53Å | |
| CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAH | sing | 1.51Å | 1.53Å | |
| CAH | NAP | sing | 1.46Å | 1.47Å | |
| NAP | CAO | sing | 1.39Å | 1.35Å | |
| NAP | CBA | sing | 1.37Å | 1.34Å | |
| CAO | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAO | CAY | doub | 1.40Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAW | sing | 1.40Å | 1.40Å | Aromatic |
| CAW | CAV | sing | 1.47Å | 1.54Å | |
| CAW | CAX | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | OAL | sing | 1.35Å | 1.25Å | |
| CAV | OBG | doub | 1.22Å | 1.25Å | |
| CAX | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | NAZ | sing | 1.39Å | 1.33Å | |
| NAZ | CBA | sing | 1.37Å | 1.35Å | |
| CBA | NBB | doub | 1.32Å | 1.34Å | |
| NBB | CBC | sing | 1.37Å | 1.35Å | |
| CBC | CBD | sing | 1.40Å | 1.39Å | Aromatic |
| CBC | CAQ | doub | 1.40Å | 1.40Å | Aromatic |
| CBD | CBE | doub | 1.38Å | 1.40Å | Aromatic |
| CBE | FBF | sing | 1.35Å | 1.35Å | |
| CBE | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | OAT | sing | 1.36Å | 1.38Å | |
| CAS | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| OAT | CAU | sing | 1.43Å | 1.45Å | |
| CAR | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| OAL | HAL | sing | 0.97Å | 0.95Å | |
| NAZ | HAZ | sing | 0.97Å | 1.00Å | |
| CBD | HBD | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| CAU | HAU3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAA | CAC | FAB | 112.7° | 109.4° |
| FAA | CAC | FAG | 108.5° | 109.5° |
| FAA | CAC | CAD | 105.9° | 109.5° |
| FAB | CAC | FAG | 108.6° | 109.5° |
| FAB | CAC | CAD | 112.5° | 109.4° |
| FAG | CAC | CAD | 108.5° | 109.5° |
| CAC | CAD | CAE | 118.4° | 120.0° |
| CAC | CAD | CAI | 120.2° | 120.0° |
| CAE | CAD | CAI | 121.4° | 120.0° |
| CAD | CAE | CAF | 119.3° | 119.9° |
| CAD | CAE | HAE | 120.4° | 120.0° |
| CAD | CAI | CAJ | 119.0° | 120.0° |
| CAD | CAI | CAH | 123.2° | 120.0° |
| CAE | CAF | CAK | 119.4° | 120.0° |
| CAF | CAE | HAE | 120.3° | 120.1° |
| CAE | CAF | HAF | 120.3° | 119.9° |
| CAF | CAK | CAJ | 121.4° | 120.0° |
| CAK | CAF | HAF | 120.3° | 120.1° |
| CAF | CAK | HAK | 119.3° | 120.0° |
| CAK | CAJ | CAI | 119.5° | 120.0° |
| CAJ | CAK | HAK | 119.3° | 120.0° |
| CAK | CAJ | HAJ | 120.3° | 120.0° |
| CAJ | CAI | CAH | 117.8° | 120.0° |
| CAI | CAJ | HAJ | 120.3° | 120.0° |
| CAI | CAH | NAP | 113.2° | 109.5° |
| CAI | CAH | HAH1 | 108.5° | 109.5° |
| CAI | CAH | HAH2 | 108.5° | 109.5° |
| CAH | NAP | CAO | 124.7° | 125.9° |
| CAH | NAP | CBA | 126.5° | 125.8° |
| NAP | CAH | HAH1 | 108.6° | 109.5° |
| NAP | CAH | HAH2 | 108.5° | 109.5° |
| CAO | NAP | CBA | 108.8° | 108.3° |
| NAP | CAO | CAN | 132.5° | 132.5° |
| NAP | CAO | CAY | 107.2° | 107.4° |
| NAP | CBA | NAZ | 107.6° | 108.9° |
| NAP | CBA | NBB | 128.2° | 125.6° |
| CAN | CAO | CAY | 120.2° | 120.1° |
| CAO | CAN | CAM | 119.9° | 120.1° |
| CAO | CAN | HAN | 120.1° | 120.0° |
| CAO | CAY | CAX | 120.2° | 120.0° |
| CAO | CAY | NAZ | 106.7° | 107.4° |
| CAN | CAM | CAW | 119.8° | 120.2° |
| CAM | CAN | HAN | 120.0° | 119.9° |
| CAN | CAM | HAM | 120.1° | 119.9° |
| CAM | CAW | CAV | 119.8° | 120.1° |
| CAM | CAW | CAX | 119.9° | 119.9° |
| CAW | CAM | HAM | 120.1° | 119.9° |
| CAV | CAW | CAX | 120.3° | 120.0° |
| CAW | CAV | OAL | 120.4° | 120.0° |
| CAW | CAV | OBG | 119.9° | 120.0° |
| CAW | CAX | CAY | 120.0° | 119.8° |
| CAW | CAX | HAX | 120.0° | 120.1° |
| OAL | CAV | OBG | 119.7° | 120.0° |
| CAV | OAL | HAL | 109.5° | 117.0° |
| CAX | CAY | NAZ | 133.1° | 132.6° |
| CAY | CAX | HAX | 120.0° | 120.1° |
| CAY | NAZ | CBA | 109.6° | 108.0° |
| CAY | NAZ | HAZ | 125.2° | 126.0° |
| NAZ | CBA | NBB | 124.2° | 125.5° |
| CBA | NAZ | HAZ | 125.2° | 126.0° |
| CBA | NBB | CBC | 124.5° | 120.0° |
| NBB | CBC | CBD | 120.8° | 120.1° |
| NBB | CBC | CAQ | 119.9° | 120.1° |
| CBD | CBC | CAQ | 119.3° | 119.8° |
| CBC | CBD | CBE | 119.4° | 119.9° |
| CBC | CBD | HBD | 120.3° | 120.0° |
| CBC | CAQ | CAR | 121.2° | 119.9° |
| CBC | CAQ | HAQ | 119.4° | 120.0° |
| CBD | CBE | FBF | 119.3° | 120.0° |
| CBD | CBE | CAS | 121.6° | 120.1° |
| CBE | CBD | HBD | 120.3° | 120.1° |
| FBF | CBE | CAS | 119.1° | 119.9° |
| CBE | CAS | OAT | 123.2° | 119.9° |
| CBE | CAS | CAR | 118.6° | 120.2° |
| OAT | CAS | CAR | 118.2° | 119.9° |
| CAS | OAT | CAU | 111.2° | 117.0° |
| CAS | CAR | CAQ | 119.9° | 120.2° |
| CAS | CAR | HAR | 120.1° | 120.0° |
| OAT | CAU | HAU1 | 109.5° | 109.5° |
| OAT | CAU | HAU2 | 109.5° | 109.5° |
| OAT | CAU | HAU3 | 109.5° | 109.5° |
| CAR | CAQ | HAQ | 119.4° | 120.1° |
| CAQ | CAR | HAR | 120.0° | 119.9° |
| HAH1 | CAH | HAH2 | 109.5° | 109.4° |
| HAU1 | CAU | HAU2 | 109.5° | 109.5° |
| HAU1 | CAU | HAU3 | 109.5° | 109.4° |
| HAU2 | CAU | HAU3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAA | CAC | FAB | FAG | 120.3° | 120.0° |
| FAA | CAC | FAB | CAD | 119.6° | 120.0° |
| FAA | CAC | FAG | CAD | 114.6° | 120.0° |
| FAA | CAC | CAD | CAE | 131.4° | 4.3° |
| FAA | CAC | CAD | CAI | 48.6° | 175.5° |
| FAB | CAC | FAG | CAD | 122.6° | 120.0° |
| FAB | CAC | CAD | CAE | 7.9° | 124.3° |
| FAB | CAC | CAD | CAI | 172.1° | 55.5° |
| FAG | CAC | CAD | CAE | 112.3° | 115.7° |
| FAG | CAC | CAD | CAI | 67.7° | 64.5° |
| CAC | CAD | CAE | CAI | 180.0° | 179.8° |
| CAC | CAD | CAE | CAF | 179.5° | 180.0° |
| CAC | CAD | CAI | CAJ | 179.6° | 179.8° |
| CAC | CAD | CAI | CAH | 0.6° | 0.0° |
| CAC | CAD | CAE | HAE | 0.5° | 0.0° |
| CAD | CAE | CAF | HAE | 180.0° | 180.0° |
| CAD | CAE | CAF | CAK | 0.4° | 0.0° |
| CAE | CAD | CAI | CAJ | 0.3° | 0.5° |
| CAE | CAD | CAI | CAH | 179.3° | 179.7° |
| CAD | CAE | CAF | HAF | 179.6° | 180.0° |
| CAI | CAD | CAE | CAF | 0.5° | 0.2° |
| CAD | CAI | CAJ | CAK | 0.1° | 0.5° |
| CAD | CAI | CAJ | CAH | 179.1° | 179.8° |
| CAD | CAI | CAH | NAP | 143.9° | 175.7° |
| CAI | CAD | CAE | HAE | 179.6° | 179.8° |
| CAD | CAI | CAJ | HAJ | 179.9° | 179.7° |
| CAD | CAI | CAH | HAH1 | 23.3° | 55.7° |
| CAD | CAI | CAH | HAH2 | 95.6° | 64.2° |
| CAE | CAF | CAK | HAF | 180.0° | 180.0° |
| CAE | CAF | CAK | CAJ | 0.2° | 0.0° |
| CAE | CAF | CAK | HAK | 179.8° | 179.9° |
| CAF | CAK | CAJ | HAK | 180.0° | 179.9° |
| CAF | CAK | CAJ | CAI | 0.1° | 0.2° |
| CAK | CAF | CAE | HAE | 179.6° | 180.0° |
| CAF | CAK | CAJ | HAJ | 179.9° | 180.0° |
| CAK | CAJ | CAI | HAJ | 180.0° | 179.8° |
| CAK | CAJ | CAI | CAH | 179.2° | 179.7° |
| CAJ | CAK | CAF | HAF | 179.8° | 180.0° |
| CAJ | CAI | CAH | NAP | 37.1° | 4.5° |
| CAI | CAJ | CAK | HAK | 179.9° | 179.8° |
| CAJ | CAI | CAH | HAH1 | 157.7° | 124.5° |
| CAJ | CAI | CAH | HAH2 | 83.4° | 115.6° |
| CAI | CAH | NAP | HAH1 | 120.5° | 120.0° |
| CAI | CAH | NAP | HAH2 | 120.5° | 120.0° |
| CAI | CAH | NAP | CAO | 83.2° | 94.5° |
| CAI | CAH | NAP | CBA | 98.6° | 85.8° |
| CAH | CAI | CAJ | HAJ | 0.8° | 0.1° |
| CAI | CAH | HAH1 | HAH2 | 118.3° | 120.0° |
| CAH | NAP | CAO | CBA | 178.5° | 179.7° |
| CAH | NAP | CAO | CAN | 1.3° | 0.1° |
| CAH | NAP | CAO | CAY | 179.3° | 180.0° |
| CAH | NAP | CBA | NAZ | 178.7° | 179.9° |
| CAH | NAP | CBA | NBB | 1.1° | 0.1° |
| NAP | CAH | HAH1 | HAH2 | 118.3° | 120.0° |
| NAP | CAO | CAN | CAY | 179.3° | 179.9° |
| NAP | CAO | CAN | CAM | 179.6° | 180.0° |
| NAP | CAO | CAY | CAX | 179.8° | 180.0° |
| NAP | CAO | CAY | NAZ | 1.0° | 0.1° |
| CAO | NAP | CBA | NAZ | 0.3° | 0.4° |
| CAO | NAP | CBA | NBB | 179.5° | 179.6° |
| CAO | NAP | CAH | HAH1 | 37.3° | 25.6° |
| CAO | NAP | CAH | HAH2 | 156.2° | 145.5° |
| NAP | CAO | CAN | HAN | 0.4° | 0.0° |
| CBA | NAP | CAO | CAN | 179.8° | 179.8° |
| CBA | NAP | CAO | CAY | 0.8° | 0.3° |
| NAP | CBA | NAZ | CAY | 0.4° | 0.3° |
| NAP | CBA | NAZ | NBB | 179.8° | 180.0° |
| NAP | CBA | NBB | CBC | 164.5° | 173.7° |
| CBA | NAP | CAH | HAH1 | 140.9° | 154.1° |
| CBA | NAP | CAH | HAH2 | 22.0° | 34.1° |
| NAP | CBA | NAZ | HAZ | 179.6° | 179.8° |
| CAO | CAN | CAM | HAN | 180.0° | 180.0° |
| CAO | CAN | CAM | CAW | 0.2° | 0.0° |
| CAN | CAO | CAY | CAX | 0.4° | 0.1° |
| CAN | CAO | CAY | NAZ | 179.5° | 180.0° |
| CAO | CAN | CAM | HAM | 179.8° | 180.0° |
| CAY | CAO | CAN | CAM | 0.3° | 0.1° |
| CAO | CAY | CAX | CAW | 0.0° | 0.1° |
| CAO | CAY | CAX | NAZ | 178.8° | 179.9° |
| CAO | CAY | NAZ | CBA | 0.9° | 0.2° |
| CAY | CAO | CAN | HAN | 179.7° | 179.9° |
| CAO | CAY | CAX | HAX | 180.0° | 180.0° |
| CAO | CAY | NAZ | HAZ | 179.1° | 180.0° |
| CAN | CAM | CAW | HAM | 180.0° | 179.9° |
| CAN | CAM | CAW | CAV | 179.7° | 180.0° |
| CAN | CAM | CAW | CAX | 0.6° | 0.0° |
| CAM | CAW | CAV | CAX | 179.1° | 180.0° |
| CAM | CAW | CAV | OAL | 163.8° | 0.0° |
| CAM | CAW | CAV | OBG | 15.2° | 180.0° |
| CAM | CAW | CAX | CAY | 0.5° | 0.0° |
| CAW | CAM | CAN | HAN | 179.8° | 180.0° |
| CAM | CAW | CAX | HAX | 179.5° | 180.0° |
| CAW | CAV | OAL | OBG | 179.0° | 180.0° |
| CAV | CAW | CAX | CAY | 179.6° | 180.0° |
| CAV | CAW | CAM | HAM | 0.3° | 0.1° |
| CAV | CAW | CAX | HAX | 0.4° | 0.0° |
| CAW | CAV | OAL | HAL | 179.0° | 180.0° |
| CAX | CAW | CAV | OAL | 15.2° | 180.0° |
| CAX | CAW | CAV | OBG | 165.8° | 0.0° |
| CAW | CAX | CAY | HAX | 180.0° | 180.0° |
| CAW | CAX | CAY | NAZ | 178.8° | 179.9° |
| CAX | CAW | CAM | HAM | 179.4° | 179.9° |
| OBG | CAV | OAL | HAL | 0.0° | 0.0° |
| CAX | CAY | NAZ | CBA | 179.8° | 179.7° |
| CAX | CAY | NAZ | HAZ | 0.2° | 0.1° |
| CAY | NAZ | CBA | HAZ | 180.0° | 179.8° |
| CAY | NAZ | CBA | NBB | 179.8° | 179.7° |
| NAZ | CAY | CAX | HAX | 1.2° | 0.1° |
| NAZ | CBA | NBB | CBC | 15.8° | 6.2° |
| CBA | NBB | CBC | CBD | 51.4° | 135.0° |
| CBA | NBB | CBC | CAQ | 128.8° | 45.2° |
| NBB | CBA | NAZ | HAZ | 0.2° | 0.2° |
| NBB | CBC | CBD | CAQ | 179.8° | 179.7° |
| NBB | CBC | CBD | CBE | 179.6° | 180.0° |
| NBB | CBC | CAQ | CAR | 179.5° | 179.7° |
| NBB | CBC | CBD | HBD | 0.4° | 0.0° |
| NBB | CBC | CAQ | HAQ | 0.5° | 0.0° |
| CBC | CBD | CBE | HBD | 180.0° | 180.0° |
| CBC | CBD | CBE | FBF | 179.2° | 179.9° |
| CBC | CBD | CBE | CAS | 0.3° | 0.0° |
| CBD | CBC | CAQ | CAR | 0.3° | 0.5° |
| CBD | CBC | CAQ | HAQ | 179.7° | 179.7° |
| CAQ | CBC | CBD | CBE | 0.2° | 0.3° |
| CBC | CAQ | CAR | CAS | 0.1° | 0.5° |
| CBC | CAQ | CAR | HAQ | 180.0° | 179.7° |
| CAQ | CBC | CBD | HBD | 179.8° | 179.7° |
| CBC | CAQ | CAR | HAR | 179.9° | 179.7° |
| CBD | CBE | FBF | CAS | 179.0° | 179.9° |
| CBD | CBE | CAS | OAT | 179.9° | 180.0° |
| CBD | CBE | CAS | CAR | 0.6° | 0.0° |
| FBF | CBE | CAS | OAT | 1.1° | 0.1° |
| FBF | CBE | CAS | CAR | 179.6° | 179.9° |
| FBF | CBE | CBD | HBD | 0.8° | 0.1° |
| CBE | CAS | OAT | CAR | 179.3° | 180.0° |
| CBE | CAS | OAT | CAU | 74.3° | 180.0° |
| CBE | CAS | CAR | CAQ | 0.5° | 0.2° |
| CAS | CBE | CBD | HBD | 179.7° | 180.0° |
| CBE | CAS | CAR | HAR | 179.4° | 180.0° |
| OAT | CAS | CAR | CAQ | 179.9° | 179.7° |
| OAT | CAS | CAR | HAR | 0.1° | 0.0° |
| CAS | OAT | CAU | HAU1 | 180.0° | 180.0° |
| CAS | OAT | CAU | HAU2 | 60.0° | 60.0° |
| CAS | OAT | CAU | HAU3 | 60.0° | 60.0° |
| CAR | CAS | OAT | CAU | 106.4° | 0.0° |
| CAS | CAR | CAQ | HAR | 180.0° | 179.7° |
| CAS | CAR | CAQ | HAQ | 179.9° | 179.8° |
| OAT | CAU | HAU1 | HAU2 | 120.0° | 120.0° |
| OAT | CAU | HAU1 | HAU3 | 120.0° | 120.0° |
| OAT | CAU | HAU2 | HAU3 | 120.0° | 120.0° |
| HAE | CAE | CAF | HAF | 0.4° | 0.0° |
| HAF | CAF | CAK | HAK | 0.2° | 0.0° |
| HAK | CAK | CAJ | HAJ | 0.1° | 0.0° |
| HAN | CAN | CAM | HAM | 0.2° | 0.0° |
| HAQ | CAQ | CAR | HAR | 0.1° | 0.0° |
| HAU1 | CAU | HAU2 | HAU3 | 120.0° | 120.0° |
