JJZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAA | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| OAD | CAK | doub | 1.21Å | 1.34Å | |
| OAE | CAN | doub | 1.21Å | 1.34Å | |
| CLAF | CAG | sing | 1.74Å | 1.73Å | |
| CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | NAJ | sing | 1.40Å | 1.43Å | |
| NAJ | CAK | sing | 1.35Å | 1.34Å | |
| CAK | CAL | sing | 1.51Å | 1.51Å | |
| CAL | CAM | sing | 1.53Å | 1.51Å | |
| CAM | CAN | sing | 1.51Å | 1.50Å | |
| CAN | NAO | sing | 1.35Å | 1.36Å | |
| NAO | NAP | sing | 1.40Å | 1.35Å | |
| NAP | CAQ | doub | 1.30Å | 1.31Å | |
| CAQ | CAU | sing | 1.47Å | 1.49Å | |
| CAR | CAS | doub | 1.36Å | 1.39Å | Aromatic |
| CAR | CAY | sing | 1.39Å | 1.38Å | Aromatic |
| CAS | CAT | sing | 1.41Å | 1.39Å | Aromatic |
| CAT | CAU | doub | 1.41Å | 1.40Å | Aromatic |
| CAT | CBA | sing | 1.46Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.41Å | 1.40Å | Aromatic |
| CAV | CAW | sing | 1.41Å | 1.39Å | Aromatic |
| CAV | CBC | doub | 1.47Å | 1.39Å | Aromatic |
| CAW | CAX | doub | 1.36Å | 1.39Å | Aromatic |
| CAX | CBE | sing | 1.39Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.36Å | 1.39Å | Aromatic |
| CAZ | CBA | sing | 1.41Å | 1.39Å | Aromatic |
| CBA | CBB | doub | 1.39Å | 1.39Å | Aromatic |
| CBB | CBC | sing | 1.39Å | 1.39Å | Aromatic |
| CBC | CBD | sing | 1.41Å | 1.39Å | Aromatic |
| CBD | CBE | doub | 1.36Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CBB | HBB | sing | 1.08Å | 1.08Å | |
| CBD | HBD | sing | 1.08Å | 1.08Å | |
| CBE | HBE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAG | 119.8° | 120.1° |
| CAA | CAB | CAC | 119.4° | 120.1° |
| CAB | CAA | HAA | 120.1° | 120.0° |
| CAA | CAB | HAB | 120.3° | 119.9° |
| CAA | CAG | CLAF | 118.8° | 120.0° |
| CAA | CAG | CAH | 120.8° | 120.0° |
| CAG | CAA | HAA | 120.1° | 119.9° |
| CAB | CAC | CAI | 121.3° | 120.0° |
| CAC | CAB | HAB | 120.4° | 120.0° |
| CAB | CAC | HAC | 119.3° | 120.1° |
| CAC | CAI | CAH | 119.1° | 119.9° |
| CAC | CAI | NAJ | 117.9° | 120.1° |
| CAI | CAC | HAC | 119.4° | 120.0° |
| OAD | CAK | NAJ | 138.3° | 120.0° |
| OAD | CAK | CAL | 110.4° | 120.0° |
| OAE | CAN | CAM | 108.9° | 120.0° |
| OAE | CAN | NAO | 138.5° | 120.0° |
| CLAF | CAG | CAH | 120.3° | 120.0° |
| CAG | CAH | CAI | 119.7° | 119.9° |
| CAG | CAH | HAH | 120.1° | 120.1° |
| CAH | CAI | NAJ | 123.0° | 120.1° |
| CAI | CAH | HAH | 120.2° | 120.0° |
| CAI | NAJ | CAK | 122.5° | 120.0° |
| CAI | NAJ | HNAJ | 118.8° | 120.0° |
| NAJ | CAK | CAL | 111.0° | 120.0° |
| CAK | NAJ | HNAJ | 118.7° | 120.0° |
| CAK | CAL | CAM | 111.8° | 109.4° |
| CAK | CAL | HAL | 108.7° | 109.4° |
| CAK | CAL | HALA | 108.7° | 109.5° |
| CAL | CAM | CAN | 113.2° | 109.5° |
| CAM | CAL | HAL | 108.7° | 109.5° |
| CAM | CAL | HALA | 108.7° | 109.5° |
| CAL | CAM | HAM | 108.2° | 109.5° |
| CAL | CAM | HAMA | 108.3° | 109.5° |
| CAM | CAN | NAO | 112.6° | 120.0° |
| CAN | CAM | HAM | 108.2° | 109.4° |
| CAN | CAM | HAMA | 108.2° | 109.5° |
| CAN | NAO | NAP | 123.3° | 120.0° |
| CAN | NAO | HNAO | 118.3° | 120.0° |
| NAO | NAP | CAQ | 121.0° | 120.0° |
| NAP | NAO | HNAO | 118.3° | 120.0° |
| NAP | CAQ | CAU | 123.0° | 120.0° |
| NAP | CAQ | HAQ | 118.5° | 119.9° |
| CAQ | CAU | CAT | 119.5° | 120.4° |
| CAQ | CAU | CAV | 120.9° | 120.3° |
| CAU | CAQ | HAQ | 118.5° | 120.1° |
| CAS | CAR | CAY | 120.0° | 121.6° |
| CAR | CAS | CAT | 120.5° | 119.6° |
| CAS | CAR | HAR | 120.0° | 119.2° |
| CAR | CAS | HAS | 119.7° | 120.2° |
| CAR | CAY | CAZ | 119.8° | 121.7° |
| CAY | CAR | HAR | 120.0° | 119.1° |
| CAR | CAY | HAY | 120.1° | 119.2° |
| CAS | CAT | CAU | 120.3° | 121.1° |
| CAS | CAT | CBA | 119.3° | 118.8° |
| CAT | CAS | HAS | 119.8° | 120.2° |
| CAU | CAT | CBA | 120.4° | 120.1° |
| CAT | CAU | CAV | 119.5° | 119.3° |
| CAT | CBA | CAZ | 120.4° | 118.7° |
| CAT | CBA | CBB | 119.9° | 120.3° |
| CAU | CAV | CAW | 120.7° | 121.1° |
| CAU | CAV | CBC | 119.9° | 120.0° |
| CAW | CAV | CBC | 119.5° | 118.9° |
| CAV | CAW | CAX | 120.1° | 119.6° |
| CAV | CAW | HAW | 120.0° | 120.2° |
| CAV | CBC | CBB | 120.2° | 120.3° |
| CAV | CBC | CBD | 120.3° | 118.7° |
| CAW | CAX | CBE | 120.5° | 121.6° |
| CAX | CAW | HAW | 119.9° | 120.2° |
| CAW | CAX | HAX | 119.8° | 119.2° |
| CAX | CBE | CBD | 119.6° | 121.7° |
| CBE | CAX | HAX | 119.7° | 119.2° |
| CAX | CBE | HBE | 120.2° | 119.2° |
| CAY | CAZ | CBA | 120.1° | 119.5° |
| CAZ | CAY | HAY | 120.1° | 119.2° |
| CAY | CAZ | HAZ | 120.0° | 120.3° |
| CAZ | CBA | CBB | 119.7° | 121.0° |
| CBA | CAZ | HAZ | 120.0° | 120.2° |
| CBA | CBB | CBC | 120.1° | 120.0° |
| CBA | CBB | HBB | 120.0° | 120.0° |
| CBB | CBC | CBD | 119.5° | 121.0° |
| CBC | CBB | HBB | 119.9° | 120.0° |
| CBC | CBD | CBE | 120.1° | 119.5° |
| CBC | CBD | HBD | 120.0° | 120.2° |
| CBE | CBD | HBD | 119.9° | 120.2° |
| CBD | CBE | HBE | 120.2° | 119.2° |
| HAL | CAL | HALA | 110.2° | 109.4° |
| HAM | CAM | HAMA | 110.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAG | HAA | 180.0° | 179.7° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAI | 0.3° | 0.1° |
| CAB | CAA | CAG | CLAF | 180.0° | 180.0° |
| CAB | CAA | CAG | CAH | 0.3° | 0.0° |
| CAA | CAB | CAC | HAC | 179.7° | 180.0° |
| CAG | CAA | CAB | CAC | 0.6° | 0.0° |
| CAA | CAG | CLAF | CAH | 179.7° | 180.0° |
| CAA | CAG | CAH | CAI | 0.4° | 0.1° |
| CAG | CAA | CAB | HAB | 179.4° | 180.0° |
| CAA | CAG | CAH | HAH | 179.6° | 180.0° |
| CAB | CAC | CAI | HAC | 180.0° | 180.0° |
| CAB | CAC | CAI | CAH | 0.4° | 0.0° |
| CAB | CAC | CAI | NAJ | 178.2° | 180.0° |
| CAC | CAB | CAA | HAA | 179.4° | 179.7° |
| CAC | CAI | CAH | CAG | 0.7° | 0.1° |
| CAC | CAI | CAH | NAJ | 177.7° | 179.9° |
| CAC | CAI | NAJ | CAK | 149.2° | 33.3° |
| CAI | CAC | CAB | HAB | 179.7° | 180.0° |
| CAC | CAI | CAH | HAH | 179.3° | 179.9° |
| CAC | CAI | NAJ | HNAJ | 30.8° | 146.8° |
| OAD | CAK | NAJ | CAI | 8.1° | 5.2° |
| OAD | CAK | NAJ | CAL | 172.9° | 179.9° |
| OAD | CAK | CAL | CAM | 14.5° | 0.1° |
| OAD | CAK | NAJ | HNAJ | 171.9° | 174.7° |
| OAD | CAK | CAL | HAL | 134.5° | 120.0° |
| OAD | CAK | CAL | HALA | 105.5° | 120.0° |
| OAE | CAN | CAM | CAL | 3.6° | 0.0° |
| OAE | CAN | CAM | NAO | 179.9° | 180.0° |
| OAE | CAN | NAO | NAP | 136.9° | 0.1° |
| OAE | CAN | CAM | HAM | 116.4° | 120.0° |
| OAE | CAN | CAM | HAMA | 123.6° | 120.0° |
| OAE | CAN | NAO | HNAO | 43.1° | 180.0° |
| CLAF | CAG | CAH | CAI | 179.3° | 180.0° |
| CLAF | CAG | CAA | HAA | 0.0° | 0.3° |
| CLAF | CAG | CAH | HAH | 0.7° | 0.1° |
| CAG | CAH | CAI | HAH | 180.0° | 179.9° |
| CAG | CAH | CAI | NAJ | 178.4° | 179.9° |
| CAH | CAG | CAA | HAA | 179.7° | 179.7° |
| CAH | CAI | NAJ | CAK | 28.5° | 146.8° |
| CAH | CAI | CAC | HAC | 179.6° | 180.0° |
| CAH | CAI | NAJ | HNAJ | 151.5° | 33.1° |
| CAI | NAJ | CAK | HNAJ | 180.0° | 179.9° |
| CAI | NAJ | CAK | CAL | 179.0° | 174.7° |
| NAJ | CAI | CAC | HAC | 1.8° | 0.1° |
| NAJ | CAI | CAH | HAH | 1.5° | 0.0° |
| NAJ | CAK | CAL | CAM | 170.5° | 180.0° |
| NAJ | CAK | CAL | HAL | 50.5° | 60.0° |
| NAJ | CAK | CAL | HALA | 69.5° | 59.9° |
| CAK | CAL | CAM | HAL | 120.0° | 119.9° |
| CAK | CAL | CAM | HALA | 120.0° | 120.1° |
| CAK | CAL | CAM | CAN | 176.8° | 180.0° |
| CAL | CAK | NAJ | HNAJ | 1.0° | 5.4° |
| CAK | CAL | HAL | HALA | 119.1° | 120.0° |
| CAK | CAL | CAM | HAM | 63.3° | 60.1° |
| CAK | CAL | CAM | HAMA | 56.8° | 60.0° |
| CAL | CAM | CAN | HAM | 120.0° | 120.0° |
| CAL | CAM | CAN | HAMA | 120.0° | 120.0° |
| CAL | CAM | CAN | NAO | 176.3° | 180.0° |
| CAM | CAL | HAL | HALA | 119.0° | 120.0° |
| CAL | CAM | HAM | HAMA | 118.5° | 120.0° |
| CAM | CAN | NAO | NAP | 42.9° | 180.0° |
| CAN | CAM | CAL | HAL | 56.8° | 60.0° |
| CAN | CAM | CAL | HALA | 63.2° | 60.0° |
| CAN | CAM | HAM | HAMA | 118.5° | 120.0° |
| CAM | CAN | NAO | HNAO | 137.1° | 0.1° |
| CAN | NAO | NAP | HNAO | 180.0° | 179.9° |
| CAN | NAO | NAP | CAQ | 157.3° | 180.0° |
| NAO | CAN | CAM | HAM | 63.8° | 60.0° |
| NAO | CAN | CAM | HAMA | 56.2° | 60.0° |
| NAO | NAP | CAQ | CAU | 140.8° | 179.9° |
| NAO | NAP | CAQ | HAQ | 39.2° | 0.0° |
| NAP | CAQ | CAU | HAQ | 180.0° | 179.9° |
| NAP | CAQ | CAU | CAT | 147.4° | 5.8° |
| NAP | CAQ | CAU | CAV | 32.9° | 174.3° |
| CAQ | NAP | NAO | HNAO | 22.7° | 0.1° |
| CAQ | CAU | CAT | CAS | 0.2° | 0.1° |
| CAQ | CAU | CAT | CAV | 179.8° | 179.9° |
| CAQ | CAU | CAT | CBA | 179.6° | 179.9° |
| CAQ | CAU | CAV | CAW | 0.1° | 0.1° |
| CAQ | CAU | CAV | CBC | 179.6° | 179.9° |
| CAS | CAR | CAY | HAR | 180.0° | 179.7° |
| CAR | CAS | CAT | HAS | 180.0° | 180.0° |
| CAR | CAS | CAT | CAU | 179.7° | 179.9° |
| CAR | CAS | CAT | CBA | 0.1° | 0.0° |
| CAS | CAR | CAY | CAZ | 0.2° | 0.1° |
| CAS | CAR | CAY | HAY | 179.8° | 180.0° |
| CAY | CAR | CAS | CAT | 0.3° | 0.1° |
| CAR | CAY | CAZ | HAY | 180.0° | 179.9° |
| CAR | CAY | CAZ | CBA | 0.1° | 0.1° |
| CAY | CAR | CAS | HAS | 179.7° | 180.0° |
| CAR | CAY | CAZ | HAZ | 179.9° | 180.0° |
| CAS | CAT | CAU | CBA | 179.8° | 180.0° |
| CAS | CAT | CAU | CAV | 179.5° | 180.0° |
| CAS | CAT | CBA | CAZ | 0.2° | 0.0° |
| CAS | CAT | CBA | CBB | 179.7° | 180.0° |
| CAT | CAS | CAR | HAR | 179.7° | 179.7° |
| CAT | CAU | CAV | CAW | 179.9° | 180.0° |
| CAT | CAU | CAV | CBC | 0.6° | 0.0° |
| CAU | CAT | CBA | CAZ | 180.0° | 179.9° |
| CAU | CAT | CBA | CBB | 0.5° | 0.0° |
| CAT | CAU | CAQ | HAQ | 32.6° | 174.2° |
| CAU | CAT | CAS | HAS | 0.3° | 0.0° |
| CBA | CAT | CAU | CAV | 0.6° | 0.0° |
| CAT | CBA | CAZ | CAY | 0.3° | 0.1° |
| CAT | CBA | CAZ | CBB | 179.5° | 180.0° |
| CAT | CBA | CBB | CBC | 0.2° | 0.0° |
| CBA | CAT | CAS | HAS | 179.9° | 180.0° |
| CAT | CBA | CAZ | HAZ | 179.7° | 180.0° |
| CAT | CBA | CBB | HBB | 179.8° | 179.9° |
| CAU | CAV | CAW | CBC | 179.5° | 179.9° |
| CAU | CAV | CAW | CAX | 179.7° | 180.0° |
| CAU | CAV | CBC | CBB | 0.4° | 0.1° |
| CAU | CAV | CBC | CBD | 179.6° | 180.0° |
| CAV | CAU | CAQ | HAQ | 147.1° | 5.7° |
| CAU | CAV | CAW | HAW | 0.4° | 0.1° |
| CAV | CAW | CAX | HAW | 180.0° | 179.9° |
| CAV | CAW | CAX | CBE | 0.2° | 0.0° |
| CAW | CAV | CBC | CBB | 179.9° | 180.0° |
| CAW | CAV | CBC | CBD | 0.1° | 0.1° |
| CAV | CAW | CAX | HAX | 179.8° | 180.0° |
| CBC | CAV | CAW | CAX | 0.2° | 0.0° |
| CAV | CBC | CBB | CBA | 0.2° | 0.1° |
| CAV | CBC | CBB | CBD | 179.9° | 179.9° |
| CAV | CBC | CBD | CBE | 0.0° | 0.1° |
| CBC | CAV | CAW | HAW | 179.9° | 180.0° |
| CAV | CBC | CBB | HBB | 179.8° | 180.0° |
| CAV | CBC | CBD | HBD | 180.0° | 180.0° |
| CAW | CAX | CBE | HAX | 180.0° | 180.0° |
| CAW | CAX | CBE | CBD | 0.1° | 0.0° |
| CAW | CAX | CBE | HBE | 180.0° | 180.0° |
| CAX | CBE | CBD | CBC | 0.0° | 0.0° |
| CAX | CBE | CBD | HBE | 180.0° | 180.0° |
| CBE | CAX | CAW | HAW | 179.9° | 179.9° |
| CAX | CBE | CBD | HBD | 179.9° | 179.9° |
| CAY | CAZ | CBA | HAZ | 180.0° | 179.9° |
| CAY | CAZ | CBA | CBB | 179.8° | 180.0° |
| CAZ | CAY | CAR | HAR | 179.8° | 179.7° |
| CAZ | CBA | CBB | CBC | 179.8° | 179.9° |
| CBA | CAZ | CAY | HAY | 179.9° | 180.0° |
| CAZ | CBA | CBB | HBB | 0.2° | 0.0° |
| CBA | CBB | CBC | HBB | 180.0° | 179.9° |
| CBA | CBB | CBC | CBD | 179.8° | 180.0° |
| CBB | CBA | CAZ | HAZ | 0.2° | 0.0° |
| CBB | CBC | CBD | CBE | 180.0° | 180.0° |
| CBB | CBC | CBD | HBD | 0.0° | 0.1° |
| CBC | CBD | CBE | HBD | 180.0° | 179.9° |
| CBD | CBC | CBB | HBB | 0.2° | 0.1° |
| CBC | CBD | CBE | HBE | 179.9° | 180.0° |
| CBD | CBE | CAX | HAX | 179.9° | 180.0° |
| HAA | CAA | CAB | HAB | 0.6° | 0.3° |
| HAB | CAB | CAC | HAC | 0.3° | 0.0° |
| HAL | CAL | CAM | HAM | 176.7° | 180.0° |
| HAL | CAL | CAM | HAMA | 63.2° | 60.0° |
| HALA | CAL | CAM | HAM | 56.8° | 60.0° |
| HALA | CAL | CAM | HAMA | 176.8° | 180.0° |
| HAR | CAR | CAS | HAS | 0.3° | 0.3° |
| HAR | CAR | CAY | HAY | 0.2° | 0.2° |
| HAW | CAW | CAX | HAX | 0.2° | 0.0° |
| HAX | CAX | CBE | HBE | 0.1° | 0.0° |
| HAY | CAY | CAZ | HAZ | 0.1° | 0.1° |
| HBD | CBD | CBE | HBE | 0.1° | 0.1° |
