ZZW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAQ | doub | 1.22Å | 1.22Å | |
| OAB | NAP | sing | 1.42Å | 1.27Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| FAC | CAR | sing | 1.35Å | 1.30Å | |
| CAD | CAE | doub | 1.39Å | 1.41Å | Aromatic |
| CAD | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAR | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | CAR | doub | 1.39Å | 1.41Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAS | sing | 1.38Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAS | doub | 1.38Å | 1.42Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAU | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAW | doub | 1.39Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | NAO | doub | 1.31Å | 1.37Å | Aromatic |
| CAL | CAX | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAT | doub | 1.39Å | 1.42Å | Aromatic |
| CAM | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAS | sing | 1.51Å | 1.49Å | |
| CAN | NAY | sing | 1.47Å | 1.44Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| NAO | CAT | sing | 1.33Å | 1.37Å | Aromatic |
| NAP | CAQ | sing | 1.35Å | 1.29Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAQ | CAT | sing | 1.48Å | 1.39Å | |
| CAU | CAV | sing | 1.47Å | 1.38Å | Aromatic |
| CAU | CAW | sing | 1.40Å | 1.40Å | Aromatic |
| CAV | CAX | doub | 1.41Å | 1.40Å | Aromatic |
| CAW | NAY | sing | 1.38Å | 1.36Å | Aromatic |
| CAX | NAY | sing | 1.38Å | 1.36Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAQ | NAP | 115.2° | 120.0° |
| OAA | CAQ | CAT | 121.6° | 120.0° |
| NAP | OAB | HOAB | 109.5° | 114.0° |
| OAB | NAP | CAQ | 121.3° | 120.0° |
| OAB | NAP | HNAP | 119.4° | 120.0° |
| FAC | CAR | CAF | 120.1° | 120.0° |
| FAC | CAR | CAG | 120.0° | 120.0° |
| CAE | CAD | CAJ | 120.5° | 120.3° |
| CAE | CAD | HAD | 119.7° | 119.8° |
| CAD | CAE | CAK | 120.4° | 120.5° |
| CAD | CAE | HAE | 119.8° | 119.7° |
| CAJ | CAD | HAD | 119.8° | 119.9° |
| CAD | CAJ | CAU | 118.1° | 119.8° |
| CAD | CAJ | HAJ | 121.0° | 120.1° |
| CAK | CAE | HAE | 119.8° | 119.7° |
| CAE | CAK | CAW | 119.3° | 120.0° |
| CAE | CAK | HAK | 120.4° | 119.9° |
| CAH | CAF | CAR | 120.0° | 120.0° |
| CAH | CAF | HAF | 120.0° | 120.0° |
| CAF | CAH | CAS | 120.8° | 120.0° |
| CAF | CAH | HAH | 119.6° | 120.0° |
| CAR | CAF | HAF | 120.0° | 120.0° |
| CAF | CAR | CAG | 119.9° | 119.9° |
| CAI | CAG | CAR | 120.0° | 120.0° |
| CAI | CAG | HAG | 120.0° | 120.0° |
| CAG | CAI | CAS | 120.8° | 120.0° |
| CAG | CAI | HAI | 119.6° | 120.0° |
| CAR | CAG | HAG | 120.0° | 120.0° |
| CAS | CAH | HAH | 119.6° | 120.0° |
| CAH | CAS | CAI | 118.5° | 120.0° |
| CAH | CAS | CAN | 120.0° | 120.0° |
| CAS | CAI | HAI | 119.6° | 120.0° |
| CAI | CAS | CAN | 121.6° | 120.0° |
| CAU | CAJ | HAJ | 120.9° | 120.1° |
| CAJ | CAU | CAV | 130.7° | 133.7° |
| CAJ | CAU | CAW | 122.4° | 120.0° |
| CAW | CAK | HAK | 120.3° | 120.0° |
| CAK | CAW | CAU | 119.3° | 119.4° |
| CAK | CAW | NAY | 131.3° | 132.3° |
| NAO | CAL | CAX | 119.0° | 120.7° |
| NAO | CAL | HAL | 120.5° | 119.6° |
| CAL | NAO | CAT | 124.6° | 122.4° |
| CAX | CAL | HAL | 120.5° | 119.7° |
| CAL | CAX | CAV | 117.7° | 118.6° |
| CAL | CAX | NAY | 132.9° | 133.1° |
| CAT | CAM | CAV | 118.1° | 118.6° |
| CAT | CAM | HAM | 120.9° | 120.7° |
| CAM | CAT | NAO | 117.9° | 120.8° |
| CAM | CAT | CAQ | 122.0° | 119.6° |
| CAV | CAM | HAM | 120.9° | 120.7° |
| CAM | CAV | CAU | 130.4° | 134.6° |
| CAM | CAV | CAX | 122.7° | 118.9° |
| CAS | CAN | NAY | 112.1° | 109.5° |
| CAS | CAN | HAN | 108.6° | 109.5° |
| CAS | CAN | HANA | 108.6° | 109.4° |
| NAY | CAN | HAN | 108.6° | 109.5° |
| NAY | CAN | HANA | 108.6° | 109.4° |
| CAN | NAY | CAW | 125.2° | 124.7° |
| CAN | NAY | CAX | 127.4° | 124.8° |
| HAN | CAN | HANA | 110.3° | 109.5° |
| NAO | CAT | CAQ | 120.0° | 119.7° |
| CAQ | NAP | HNAP | 119.4° | 120.0° |
| NAP | CAQ | CAT | 123.1° | 120.0° |
| CAV | CAU | CAW | 106.9° | 106.3° |
| CAU | CAV | CAX | 106.9° | 106.5° |
| CAU | CAW | NAY | 109.4° | 108.4° |
| CAV | CAX | NAY | 109.4° | 108.3° |
| CAW | NAY | CAX | 107.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAQ | NAP | OAB | 98.8° | 0.0° |
| OAA | CAQ | CAT | CAM | 0.9° | 0.1° |
| OAA | CAQ | CAT | NAO | 178.8° | 180.0° |
| OAA | CAQ | NAP | CAT | 177.9° | 180.0° |
| OAA | CAQ | NAP | HNAP | 81.3° | 179.9° |
| OAB | NAP | CAQ | HNAP | 180.0° | 179.9° |
| OAB | NAP | CAQ | CAT | 83.3° | 180.0° |
| HOAB | OAB | NAP | CAQ | 36.9° | 179.9° |
| HOAB | OAB | NAP | HNAP | 143.1° | 0.0° |
| FAC | CAR | CAF | CAH | 179.1° | 180.0° |
| FAC | CAR | CAF | CAG | 179.8° | 180.0° |
| FAC | CAR | CAF | HAF | 0.9° | 0.2° |
| FAC | CAR | CAG | CAI | 179.3° | 179.9° |
| FAC | CAR | CAG | HAG | 0.7° | 0.1° |
| CAE | CAD | CAJ | HAD | 180.0° | 179.9° |
| CAD | CAE | CAK | HAE | 180.0° | 179.9° |
| CAE | CAD | CAJ | CAU | 0.1° | 0.1° |
| CAE | CAD | CAJ | HAJ | 179.9° | 180.0° |
| CAD | CAE | CAK | CAW | 0.4° | 0.1° |
| CAD | CAE | CAK | HAK | 179.7° | 180.0° |
| CAJ | CAD | CAE | CAK | 0.1° | 0.1° |
| CAJ | CAD | CAE | HAE | 179.9° | 180.0° |
| CAD | CAJ | CAU | HAJ | 180.0° | 179.9° |
| CAD | CAJ | CAU | CAV | 179.7° | 180.0° |
| CAD | CAJ | CAU | CAW | 0.5° | 0.0° |
| HAD | CAD | CAE | CAK | 179.9° | 179.8° |
| HAD | CAD | CAE | HAE | 0.1° | 0.1° |
| HAD | CAD | CAJ | CAU | 179.9° | 179.8° |
| HAD | CAD | CAJ | HAJ | 0.1° | 0.2° |
| CAE | CAK | CAW | HAK | 180.0° | 179.9° |
| CAE | CAK | CAW | CAU | 0.9° | 0.0° |
| CAE | CAK | CAW | NAY | 178.7° | 180.0° |
| HAE | CAE | CAK | CAW | 179.6° | 180.0° |
| HAE | CAE | CAK | HAK | 0.3° | 0.1° |
| CAH | CAF | CAR | HAF | 180.0° | 179.8° |
| CAH | CAF | CAR | CAG | 0.6° | 0.0° |
| CAF | CAH | CAS | HAH | 180.0° | 179.9° |
| CAF | CAH | CAS | CAI | 1.1° | 0.1° |
| CAF | CAH | CAS | CAN | 178.2° | 180.0° |
| CAF | CAR | CAG | CAI | 0.4° | 0.0° |
| CAF | CAR | CAG | HAG | 179.6° | 180.0° |
| CAR | CAF | CAH | CAS | 1.0° | 0.1° |
| CAR | CAF | CAH | HAH | 179.1° | 180.0° |
| HAF | CAF | CAR | CAG | 179.4° | 179.7° |
| HAF | CAF | CAH | CAS | 179.0° | 179.7° |
| HAF | CAF | CAH | HAH | 0.9° | 0.2° |
| CAI | CAG | CAR | HAG | 180.0° | 180.0° |
| CAG | CAI | CAS | CAH | 0.9° | 0.1° |
| CAG | CAI | CAS | HAI | 180.0° | 179.9° |
| CAG | CAI | CAS | CAN | 178.4° | 180.0° |
| CAR | CAG | CAI | CAS | 0.6° | 0.0° |
| CAR | CAG | CAI | HAI | 179.4° | 180.0° |
| HAG | CAG | CAI | CAS | 179.4° | 180.0° |
| HAG | CAG | CAI | HAI | 0.6° | 0.1° |
| CAH | CAS | CAI | CAN | 179.3° | 179.9° |
| CAH | CAS | CAI | HAI | 179.1° | 180.0° |
| CAH | CAS | CAN | NAY | 56.5° | 90.0° |
| CAH | CAS | CAN | HAN | 176.5° | 150.0° |
| CAH | CAS | CAN | HANA | 63.5° | 29.9° |
| HAH | CAH | CAS | CAI | 178.9° | 180.0° |
| HAH | CAH | CAS | CAN | 1.8° | 0.1° |
| CAI | CAS | CAN | NAY | 122.8° | 90.1° |
| CAI | CAS | CAN | HAN | 2.8° | 30.0° |
| CAI | CAS | CAN | HANA | 117.2° | 150.0° |
| HAI | CAI | CAS | CAN | 1.6° | 0.1° |
| CAJ | CAU | CAW | CAK | 0.9° | 0.0° |
| CAJ | CAU | CAV | CAM | 0.7° | 0.0° |
| CAJ | CAU | CAV | CAW | 179.9° | 180.0° |
| CAJ | CAU | CAV | CAX | 179.2° | 180.0° |
| CAJ | CAU | CAW | NAY | 178.7° | 180.0° |
| HAJ | CAJ | CAU | CAV | 0.3° | 0.0° |
| HAJ | CAJ | CAU | CAW | 179.6° | 180.0° |
| CAK | CAW | NAY | CAN | 1.4° | 0.0° |
| CAK | CAW | CAU | CAV | 179.2° | 180.0° |
| CAK | CAW | CAU | NAY | 179.6° | 180.0° |
| CAK | CAW | NAY | CAX | 179.2° | 180.0° |
| HAK | CAK | CAW | CAU | 179.2° | 179.9° |
| HAK | CAK | CAW | NAY | 1.3° | 0.1° |
| NAO | CAL | CAX | HAL | 180.0° | 179.9° |
| CAL | NAO | CAT | CAM | 0.3° | 0.1° |
| CAL | NAO | CAT | CAQ | 179.5° | 180.0° |
| NAO | CAL | CAX | CAV | 0.7° | 0.1° |
| NAO | CAL | CAX | NAY | 179.9° | 180.0° |
| CAL | CAX | CAV | CAM | 0.2° | 0.1° |
| CAL | CAX | NAY | CAN | 1.0° | 0.1° |
| CAX | CAL | NAO | CAT | 0.5° | 0.1° |
| CAL | CAX | CAV | CAU | 179.7° | 179.9° |
| CAL | CAX | CAV | NAY | 179.6° | 179.9° |
| CAL | CAX | NAY | CAW | 179.6° | 179.9° |
| HAL | CAL | NAO | CAT | 179.5° | 180.0° |
| HAL | CAL | CAX | CAV | 179.3° | 180.0° |
| HAL | CAL | CAX | NAY | 0.1° | 0.1° |
| CAT | CAM | CAV | HAM | 180.0° | 180.0° |
| CAM | CAT | NAO | CAQ | 179.8° | 179.9° |
| CAM | CAT | CAQ | NAP | 178.7° | 180.0° |
| CAT | CAM | CAV | CAU | 179.6° | 180.0° |
| CAT | CAM | CAV | CAX | 0.5° | 0.0° |
| CAV | CAM | CAT | NAO | 0.7° | 0.0° |
| CAV | CAM | CAT | CAQ | 179.1° | 180.0° |
| CAM | CAV | CAU | CAX | 179.9° | 180.0° |
| CAM | CAV | CAU | CAW | 179.4° | 180.0° |
| CAM | CAV | CAX | NAY | 179.8° | 180.0° |
| HAM | CAM | CAT | NAO | 179.3° | 180.0° |
| HAM | CAM | CAT | CAQ | 0.9° | 0.0° |
| HAM | CAM | CAV | CAU | 0.4° | 0.0° |
| HAM | CAM | CAV | CAX | 179.5° | 180.0° |
| CAS | CAN | NAY | HAN | 120.0° | 120.1° |
| CAS | CAN | NAY | HANA | 120.0° | 119.9° |
| CAS | CAN | HAN | HANA | 119.0° | 120.0° |
| CAS | CAN | NAY | CAW | 63.4° | 90.0° |
| CAS | CAN | NAY | CAX | 115.9° | 89.9° |
| NAY | CAN | HAN | HANA | 118.9° | 120.0° |
| CAN | NAY | CAW | CAU | 178.1° | 180.0° |
| CAN | NAY | CAX | CAV | 178.5° | 180.0° |
| CAN | NAY | CAW | CAX | 179.4° | 180.0° |
| HAN | CAN | NAY | CAW | 56.6° | 30.0° |
| HAN | CAN | NAY | CAX | 124.1° | 150.0° |
| HANA | CAN | NAY | CAW | 176.6° | 150.0° |
| HANA | CAN | NAY | CAX | 4.2° | 30.0° |
| NAO | CAT | CAQ | NAP | 1.0° | 0.0° |
| HNAP | NAP | CAQ | CAT | 96.7° | 0.0° |
| CAV | CAU | CAW | NAY | 1.2° | 0.0° |
| CAU | CAV | CAX | NAY | 0.1° | 0.0° |
| CAW | CAU | CAV | CAX | 0.6° | 0.0° |
| CAU | CAW | NAY | CAX | 1.3° | 0.0° |
| CAV | CAX | NAY | CAW | 0.9° | 0.0° |
