5ZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAB | doub | 1.21Å | 1.22Å | |
| CAB | CAC | sing | 1.51Å | 1.53Å | |
| CAB | NAP | sing | 1.35Å | 1.35Å | |
| CAC | CAD | sing | 1.53Å | 1.52Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAD | CAE | sing | 1.51Å | 1.40Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAE | NAF | doub | 1.30Å | 1.35Å | |
| CAE | NAO | sing | 1.36Å | 1.40Å | |
| NAF | CAG | sing | 1.36Å | 1.34Å | |
| CAG | CAH | doub | 1.41Å | 1.39Å | Aromatic |
| CAG | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAM | sing | 1.47Å | 1.38Å | |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | OAN | doub | 1.22Å | 1.24Å | |
| CAM | NAO | sing | 1.35Å | 1.41Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| NAP | CAQ | sing | 1.39Å | 1.33Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAQ | CAR | doub | 1.39Å | 1.37Å | Aromatic |
| CAQ | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.37Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | CAT | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAT | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAT | CAW | sing | 1.48Å | 1.40Å | |
| CAU | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | OAX | doub | 1.22Å | 1.23Å | |
| CAW | NAY | sing | 1.35Å | 1.35Å | |
| NAY | CAZ | sing | 1.40Å | 1.35Å | |
| NAY | HNAY | sing | 0.97Å | 1.00Å | |
| CAZ | CBA | doub | 1.41Å | 1.40Å | Aromatic |
| CAZ | CBI | sing | 1.38Å | 1.39Å | Aromatic |
| CBA | NBB | sing | 1.34Å | 1.34Å | Aromatic |
| CBA | CBF | sing | 1.42Å | 1.39Å | Aromatic |
| NBB | CBC | doub | 1.31Å | 1.40Å | Aromatic |
| CBC | CBD | sing | 1.39Å | 1.38Å | Aromatic |
| CBC | HBC | sing | 1.08Å | 1.08Å | |
| CBD | CBE | doub | 1.37Å | 1.39Å | Aromatic |
| CBD | HBD | sing | 1.08Å | 1.08Å | |
| CBE | CBF | sing | 1.41Å | 1.39Å | Aromatic |
| CBE | HBE | sing | 1.08Å | 1.08Å | |
| CBF | CBG | doub | 1.40Å | 1.39Å | Aromatic |
| CBG | CBH | sing | 1.36Å | 1.39Å | Aromatic |
| CBG | HBG | sing | 1.08Å | 1.08Å | |
| CBH | CBI | doub | 1.39Å | 1.39Å | Aromatic |
| CBH | HBH | sing | 1.08Å | 1.08Å | |
| CBI | HBI | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAB | CAC | 122.9° | 120.1° |
| OAA | CAB | NAP | 126.9° | 120.0° |
| CAC | CAB | NAP | 110.0° | 120.0° |
| CAB | CAC | CAD | 119.2° | 109.4° |
| CAB | CAC | HAC | 107.0° | 109.4° |
| CAB | CAC | HACA | 107.0° | 109.5° |
| CAB | NAP | CAQ | 126.5° | 120.0° |
| CAB | NAP | HNAP | 116.8° | 119.9° |
| CAD | CAC | HAC | 107.0° | 109.5° |
| CAD | CAC | HACA | 107.0° | 109.5° |
| CAC | CAD | CAE | 120.4° | 109.5° |
| CAC | CAD | HAD | 106.7° | 109.5° |
| CAC | CAD | HADA | 106.7° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| CAE | CAD | HAD | 106.7° | 109.4° |
| CAE | CAD | HADA | 106.7° | 109.4° |
| CAD | CAE | NAF | 116.8° | 118.3° |
| CAD | CAE | NAO | 122.8° | 118.3° |
| HAD | CAD | HADA | 109.5° | 109.5° |
| NAF | CAE | NAO | 120.1° | 123.4° |
| CAE | NAF | CAG | 121.3° | 121.6° |
| CAE | NAO | CAM | 119.4° | 120.5° |
| CAE | NAO | HNAO | 120.3° | 119.7° |
| NAF | CAG | CAH | 120.9° | 119.0° |
| NAF | CAG | CAL | 119.4° | 121.6° |
| CAH | CAG | CAL | 119.7° | 119.3° |
| CAG | CAH | CAI | 120.1° | 120.1° |
| CAG | CAH | CAM | 119.8° | 117.9° |
| CAG | CAL | CAK | 120.2° | 119.7° |
| CAG | CAL | HAL | 119.9° | 120.1° |
| CAI | CAH | CAM | 120.1° | 122.0° |
| CAH | CAI | CAJ | 120.0° | 119.5° |
| CAH | CAI | HAI | 120.0° | 120.3° |
| CAH | CAM | OAN | 120.6° | 121.2° |
| CAH | CAM | NAO | 118.5° | 117.5° |
| CAJ | CAI | HAI | 120.0° | 120.2° |
| CAI | CAJ | CAK | 119.9° | 120.6° |
| CAI | CAJ | HAJ | 120.1° | 119.7° |
| CAK | CAJ | HAJ | 120.1° | 119.7° |
| CAJ | CAK | CAL | 120.1° | 120.8° |
| CAJ | CAK | HAK | 119.9° | 119.6° |
| CAL | CAK | HAK | 119.9° | 119.6° |
| CAK | CAL | HAL | 119.9° | 120.2° |
| OAN | CAM | NAO | 120.8° | 121.3° |
| CAM | NAO | HNAO | 120.3° | 119.7° |
| CAQ | NAP | HNAP | 116.8° | 120.0° |
| NAP | CAQ | CAR | 112.4° | 119.9° |
| NAP | CAQ | CAV | 128.9° | 119.9° |
| CAR | CAQ | CAV | 118.5° | 120.1° |
| CAQ | CAR | CAS | 120.9° | 120.1° |
| CAQ | CAR | HAR | 119.6° | 120.0° |
| CAQ | CAV | CAU | 120.6° | 120.1° |
| CAQ | CAV | HAV | 119.7° | 119.9° |
| CAS | CAR | HAR | 119.5° | 119.9° |
| CAR | CAS | CAT | 122.4° | 119.9° |
| CAR | CAS | HAS | 118.8° | 120.1° |
| CAT | CAS | HAS | 118.8° | 120.0° |
| CAS | CAT | CAU | 116.9° | 119.9° |
| CAS | CAT | CAW | 119.9° | 120.1° |
| CAU | CAT | CAW | 123.1° | 120.1° |
| CAT | CAU | CAV | 120.6° | 119.9° |
| CAT | CAU | HAU | 119.7° | 120.1° |
| CAT | CAW | OAX | 120.1° | 120.0° |
| CAT | CAW | NAY | 114.0° | 120.0° |
| CAV | CAU | HAU | 119.7° | 120.0° |
| CAU | CAV | HAV | 119.7° | 120.0° |
| OAX | CAW | NAY | 125.1° | 120.0° |
| CAW | NAY | CAZ | 125.2° | 120.0° |
| CAW | NAY | HNAY | 117.4° | 120.0° |
| CAZ | NAY | HNAY | 117.4° | 120.0° |
| NAY | CAZ | CBA | 114.2° | 120.3° |
| NAY | CAZ | CBI | 127.0° | 120.3° |
| CBA | CAZ | CBI | 118.7° | 119.5° |
| CAZ | CBA | NBB | 119.6° | 121.0° |
| CAZ | CBA | CBF | 121.0° | 119.1° |
| CAZ | CBI | CBH | 120.1° | 120.9° |
| CAZ | CBI | HBI | 119.9° | 119.6° |
| NBB | CBA | CBF | 119.4° | 119.9° |
| CBA | NBB | CBC | 121.5° | 121.3° |
| CBA | CBF | CBE | 120.2° | 119.0° |
| CBA | CBF | CBG | 119.9° | 119.7° |
| NBB | CBC | CBD | 119.6° | 121.7° |
| NBB | CBC | HBC | 120.2° | 119.1° |
| CBD | CBC | HBC | 120.2° | 119.2° |
| CBC | CBD | CBE | 119.2° | 119.9° |
| CBC | CBD | HBD | 120.4° | 120.0° |
| CBE | CBD | HBD | 120.4° | 120.1° |
| CBD | CBE | CBF | 120.1° | 118.2° |
| CBD | CBE | HBE | 120.0° | 120.9° |
| CBF | CBE | HBE | 120.0° | 120.9° |
| CBE | CBF | CBG | 119.9° | 121.3° |
| CBF | CBG | CBH | 119.4° | 119.9° |
| CBF | CBG | HBG | 120.3° | 120.0° |
| CBH | CBG | HBG | 120.3° | 120.0° |
| CBG | CBH | CBI | 120.8° | 120.9° |
| CBG | CBH | HBH | 119.6° | 119.5° |
| CBI | CBH | HBH | 119.6° | 119.5° |
| CBH | CBI | HBI | 120.0° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAB | CAC | NAP | 175.8° | 179.7° |
| OAA | CAB | CAC | CAD | 67.7° | 0.0° |
| OAA | CAB | CAC | HAC | 53.7° | 119.9° |
| OAA | CAB | CAC | HACA | 170.9° | 120.0° |
| OAA | CAB | NAP | CAQ | 4.4° | 4.9° |
| OAA | CAB | NAP | HNAP | 175.6° | 175.0° |
| CAB | CAC | CAD | HAC | 121.4° | 119.9° |
| CAB | CAC | CAD | HACA | 121.4° | 120.0° |
| CAB | CAC | HAC | HACA | 115.6° | 120.0° |
| CAB | CAC | CAD | CAE | 67.3° | 180.0° |
| CAB | CAC | CAD | HAD | 171.2° | 60.0° |
| CAB | CAC | CAD | HADA | 54.2° | 60.0° |
| CAC | CAB | NAP | CAQ | 180.0° | 174.7° |
| CAC | CAB | NAP | HNAP | 0.1° | 5.3° |
| NAP | CAB | CAC | CAD | 108.1° | 179.7° |
| NAP | CAB | CAC | HAC | 130.5° | 59.8° |
| NAP | CAB | CAC | HACA | 13.3° | 60.3° |
| CAB | NAP | CAQ | HNAP | 180.0° | 180.0° |
| CAB | NAP | CAQ | CAR | 174.5° | 146.6° |
| CAB | NAP | CAQ | CAV | 0.4° | 33.7° |
| CAD | CAC | HAC | HACA | 115.6° | 120.0° |
| CAC | CAD | CAE | HAD | 121.5° | 120.0° |
| CAC | CAD | CAE | HADA | 121.5° | 120.0° |
| CAC | CAD | HAD | HADA | 115.1° | 120.1° |
| CAC | CAD | CAE | NAF | 81.3° | 0.0° |
| CAC | CAD | CAE | NAO | 105.2° | 179.8° |
| HAC | CAC | CAD | CAE | 54.1° | 60.1° |
| HAC | CAC | CAD | HAD | 67.4° | 180.0° |
| HAC | CAC | CAD | HADA | 175.6° | 59.9° |
| HACA | CAC | CAD | CAE | 171.3° | 60.0° |
| HACA | CAC | CAD | HAD | 49.8° | 60.0° |
| HACA | CAC | CAD | HADA | 67.1° | 180.0° |
| CAE | CAD | HAD | HADA | 115.0° | 119.9° |
| CAD | CAE | NAF | NAO | 173.7° | 179.8° |
| CAD | CAE | NAF | CAG | 176.7° | 180.0° |
| CAD | CAE | NAO | CAM | 176.4° | 179.7° |
| CAD | CAE | NAO | HNAO | 3.7° | 0.1° |
| HAD | CAD | CAE | NAF | 40.2° | 120.0° |
| HAD | CAD | CAE | NAO | 133.3° | 59.7° |
| HADA | CAD | CAE | NAF | 157.2° | 120.0° |
| HADA | CAD | CAE | NAO | 16.4° | 60.3° |
| CAE | NAF | CAG | CAH | 1.3° | 0.0° |
| CAE | NAF | CAG | CAL | 178.7° | 180.0° |
| NAF | CAE | NAO | CAM | 3.0° | 0.5° |
| NAF | CAE | NAO | HNAO | 177.0° | 179.7° |
| NAO | CAE | NAF | CAG | 3.0° | 0.3° |
| CAE | NAO | CAM | CAH | 1.4° | 0.5° |
| CAE | NAO | CAM | OAN | 178.7° | 179.8° |
| CAE | NAO | CAM | HNAO | 180.0° | 179.8° |
| NAF | CAG | CAH | CAL | 179.9° | 180.0° |
| NAF | CAG | CAH | CAI | 179.5° | 180.0° |
| NAF | CAG | CAH | CAM | 0.4° | 0.0° |
| NAF | CAG | CAL | CAK | 179.9° | 180.0° |
| NAF | CAG | CAL | HAL | 0.1° | 0.1° |
| CAG | CAH | CAI | CAM | 179.9° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.7° | 0.0° |
| CAG | CAH | CAI | HAI | 179.4° | 180.0° |
| CAH | CAG | CAL | CAK | 0.0° | 0.0° |
| CAH | CAG | CAL | HAL | 179.9° | 180.0° |
| CAG | CAH | CAM | OAN | 179.6° | 179.9° |
| CAG | CAH | CAM | NAO | 0.3° | 0.3° |
| CAL | CAG | CAH | CAI | 0.5° | 0.0° |
| CAL | CAG | CAH | CAM | 179.6° | 180.0° |
| CAG | CAL | CAK | CAJ | 0.3° | 0.1° |
| CAG | CAL | CAK | HAL | 180.0° | 180.0° |
| CAG | CAL | CAK | HAK | 179.7° | 180.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 179.9° |
| CAH | CAI | CAJ | CAK | 0.4° | 0.0° |
| CAH | CAI | CAJ | HAJ | 179.6° | 179.9° |
| CAI | CAH | CAM | OAN | 0.5° | 0.1° |
| CAI | CAH | CAM | NAO | 179.5° | 179.7° |
| CAM | CAH | CAI | CAJ | 179.5° | 180.0° |
| CAM | CAH | CAI | HAI | 0.5° | 0.1° |
| CAH | CAM | OAN | NAO | 180.0° | 179.6° |
| CAH | CAM | NAO | HNAO | 178.7° | 179.7° |
| CAI | CAJ | CAK | HAJ | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAL | 0.1° | 0.1° |
| CAI | CAJ | CAK | HAK | 179.9° | 180.0° |
| HAI | CAI | CAJ | CAK | 179.7° | 179.9° |
| HAI | CAI | CAJ | HAJ | 0.3° | 0.0° |
| CAJ | CAK | CAL | HAK | 180.0° | 179.9° |
| CAJ | CAK | CAL | HAL | 179.8° | 179.9° |
| HAJ | CAJ | CAK | CAL | 179.9° | 180.0° |
| HAJ | CAJ | CAK | HAK | 0.1° | 0.1° |
| HAK | CAK | CAL | HAL | 0.2° | 0.0° |
| OAN | CAM | NAO | HNAO | 1.3° | 0.1° |
| NAP | CAQ | CAR | CAV | 175.5° | 179.7° |
| NAP | CAQ | CAR | CAS | 178.1° | 180.0° |
| NAP | CAQ | CAR | HAR | 1.9° | 0.1° |
| NAP | CAQ | CAV | CAU | 178.3° | 179.8° |
| NAP | CAQ | CAV | HAV | 1.7° | 0.0° |
| HNAP | NAP | CAQ | CAR | 5.5° | 33.4° |
| HNAP | NAP | CAQ | CAV | 179.6° | 146.3° |
| CAQ | CAR | CAS | HAR | 180.0° | 179.9° |
| CAQ | CAR | CAS | CAT | 0.2° | 0.0° |
| CAQ | CAR | CAS | HAS | 179.8° | 180.0° |
| CAR | CAQ | CAV | CAU | 3.6° | 0.5° |
| CAR | CAQ | CAV | HAV | 176.4° | 179.7° |
| CAV | CAQ | CAR | CAS | 2.6° | 0.3° |
| CAV | CAQ | CAR | HAR | 177.4° | 179.8° |
| CAQ | CAV | CAU | CAT | 1.8° | 0.4° |
| CAQ | CAV | CAU | HAV | 180.0° | 179.8° |
| CAQ | CAV | CAU | HAU | 178.2° | 179.7° |
| CAR | CAS | CAT | HAS | 180.0° | 180.0° |
| CAR | CAS | CAT | CAU | 2.0° | 0.1° |
| CAR | CAS | CAT | CAW | 178.2° | 180.0° |
| HAR | CAR | CAS | CAT | 179.8° | 179.9° |
| HAR | CAR | CAS | HAS | 0.2° | 0.1° |
| CAS | CAT | CAU | CAW | 176.1° | 179.9° |
| CAS | CAT | CAU | CAV | 1.0° | 0.2° |
| CAS | CAT | CAU | HAU | 179.0° | 180.0° |
| CAS | CAT | CAW | OAX | 170.7° | 0.1° |
| CAS | CAT | CAW | NAY | 0.3° | 180.0° |
| HAS | CAS | CAT | CAU | 178.0° | 179.9° |
| HAS | CAS | CAT | CAW | 1.8° | 0.0° |
| CAT | CAU | CAV | HAU | 180.0° | 179.9° |
| CAT | CAU | CAV | HAV | 178.2° | 179.8° |
| CAU | CAT | CAW | OAX | 13.3° | 180.0° |
| CAU | CAT | CAW | NAY | 175.7° | 0.1° |
| CAW | CAT | CAU | CAV | 177.1° | 179.8° |
| CAW | CAT | CAU | HAU | 2.9° | 0.1° |
| CAT | CAW | OAX | NAY | 169.9° | 179.9° |
| CAT | CAW | NAY | CAZ | 179.9° | 174.4° |
| CAT | CAW | NAY | HNAY | 0.1° | 5.6° |
| HAU | CAU | CAV | HAV | 1.8° | 0.0° |
| OAX | CAW | NAY | CAZ | 9.5° | 5.7° |
| OAX | CAW | NAY | HNAY | 170.5° | 174.3° |
| CAW | NAY | CAZ | HNAY | 180.0° | 180.0° |
| CAW | NAY | CAZ | CBA | 175.8° | 157.4° |
| CAW | NAY | CAZ | CBI | 0.3° | 22.3° |
| NAY | CAZ | CBA | CBI | 176.4° | 179.7° |
| NAY | CAZ | CBA | NBB | 1.8° | 0.0° |
| NAY | CAZ | CBA | CBF | 178.8° | 180.0° |
| NAY | CAZ | CBI | CBH | 179.6° | 179.8° |
| NAY | CAZ | CBI | HBI | 0.4° | 0.0° |
| HNAY | NAY | CAZ | CBA | 4.2° | 22.7° |
| HNAY | NAY | CAZ | CBI | 179.7° | 157.7° |
| CAZ | CBA | NBB | CBF | 179.5° | 180.0° |
| CAZ | CBA | NBB | CBC | 179.5° | 180.0° |
| CAZ | CBA | CBF | CBE | 179.3° | 180.0° |
| CAZ | CBA | CBF | CBG | 0.9° | 0.0° |
| CBA | CAZ | CBI | CBH | 3.7° | 0.5° |
| CBA | CAZ | CBI | HBI | 176.3° | 179.7° |
| CBI | CAZ | CBA | NBB | 178.2° | 179.6° |
| CBI | CAZ | CBA | CBF | 2.4° | 0.3° |
| CAZ | CBI | CBH | CBG | 3.6° | 0.5° |
| CAZ | CBI | CBH | HBI | 180.0° | 179.7° |
| CAZ | CBI | CBH | HBH | 176.4° | 179.7° |
| CBA | NBB | CBC | CBD | 0.2° | 0.0° |
| CBA | NBB | CBC | HBC | 179.8° | 180.0° |
| NBB | CBA | CBF | CBE | 0.2° | 0.0° |
| NBB | CBA | CBF | CBG | 179.7° | 179.9° |
| CBF | CBA | NBB | CBC | 0.1° | 0.1° |
| CBA | CBF | CBE | CBD | 0.3° | 0.0° |
| CBA | CBF | CBE | CBG | 179.9° | 180.0° |
| CBA | CBF | CBE | HBE | 179.7° | 179.9° |
| CBA | CBF | CBG | CBH | 0.7° | 0.0° |
| CBA | CBF | CBG | HBG | 179.4° | 179.9° |
| NBB | CBC | CBD | HBC | 180.0° | 180.0° |
| NBB | CBC | CBD | CBE | 0.1° | 0.0° |
| NBB | CBC | CBD | HBD | 179.9° | 180.0° |
| CBC | CBD | CBE | HBD | 180.0° | 180.0° |
| CBC | CBD | CBE | CBF | 0.2° | 0.0° |
| CBC | CBD | CBE | HBE | 179.8° | 180.0° |
| HBC | CBC | CBD | CBE | 179.9° | 180.0° |
| HBC | CBC | CBD | HBD | 0.1° | 0.0° |
| CBD | CBE | CBF | HBE | 180.0° | 179.9° |
| CBD | CBE | CBF | CBG | 179.6° | 180.0° |
| HBD | CBD | CBE | CBF | 179.8° | 180.0° |
| HBD | CBD | CBE | HBE | 0.2° | 0.1° |
| CBE | CBF | CBG | CBH | 179.5° | 180.0° |
| CBE | CBF | CBG | HBG | 0.5° | 0.1° |
| HBE | CBE | CBF | CBG | 0.4° | 0.1° |
| CBF | CBG | CBH | HBG | 180.0° | 179.9° |
| CBF | CBG | CBH | CBI | 2.0° | 0.2° |
| CBF | CBG | CBH | HBH | 178.0° | 180.0° |
| CBG | CBH | CBI | HBH | 180.0° | 179.8° |
| CBG | CBH | CBI | HBI | 176.4° | 179.7° |
| HBG | CBG | CBH | CBI | 178.0° | 179.8° |
| HBG | CBG | CBH | HBH | 2.0° | 0.0° |
| HBH | CBH | CBI | HBI | 3.6° | 0.1° |
