NZA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAM | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
CAM | CAV | doub | 1.38Å | 1.40Å | Aromatic |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAJ | CAT | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAT | CLAC | sing | 1.74Å | 1.74Å | |
CAT | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAK | CAN | doub | 1.38Å | 1.40Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAN | CAV | sing | 1.38Å | 1.39Å | Aromatic |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAV | CAQ | sing | 1.51Å | 1.55Å | |
CAQ | NBB | sing | 1.47Å | 1.48Å | |
CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
NBB | CBA | sing | 1.38Å | 1.34Å | Aromatic |
NBB | CAY | sing | 1.39Å | 1.33Å | Aromatic |
CAY | CAS | sing | 1.41Å | 1.52Å | |
CAY | CAX | doub | 1.38Å | 1.38Å | Aromatic |
CAS | OAA | doub | 1.22Å | 1.25Å | |
CAS | OAB | sing | 1.35Å | 1.24Å | |
OAB | HOAB | sing | 0.97Å | 0.95Å | |
CBA | CAO | sing | 1.39Å | 1.39Å | Aromatic |
CBA | CAZ | doub | 1.41Å | 1.40Å | Aromatic |
CAO | CAL | doub | 1.38Å | 1.39Å | Aromatic |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CAL | CAU | sing | 1.39Å | 1.39Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAU | CLAD | sing | 1.74Å | 1.72Å | |
CAU | CAP | doub | 1.37Å | 1.39Å | Aromatic |
CAP | CAZ | sing | 1.40Å | 1.39Å | Aromatic |
CAP | HAP | sing | 1.08Å | 1.08Å | |
CAZ | CAX | sing | 1.47Å | 1.38Å | Aromatic |
CAX | SAR | sing | 1.76Å | 1.75Å | |
SAR | CAW | sing | 1.76Å | 1.78Å | |
CAW | CAI | doub | 1.39Å | 1.40Å | Aromatic |
CAW | CAH | sing | 1.39Å | 1.40Å | Aromatic |
CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAF | CAE | sing | 1.38Å | 1.40Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAJ | CAM | CAV | 120.7° | 120.0° |
CAJ | CAM | HAM | 119.6° | 120.0° |
CAM | CAJ | CAT | 119.8° | 120.0° |
CAM | CAJ | HAJ | 120.1° | 120.0° |
CAV | CAM | HAM | 119.6° | 120.0° |
CAM | CAV | CAN | 119.0° | 120.1° |
CAM | CAV | CAQ | 121.1° | 120.0° |
CAT | CAJ | HAJ | 120.1° | 120.0° |
CAJ | CAT | CLAC | 120.0° | 120.0° |
CAJ | CAT | CAK | 119.8° | 120.0° |
CLAC | CAT | CAK | 120.2° | 120.0° |
CAT | CAK | CAN | 120.3° | 120.0° |
CAT | CAK | HAK | 119.8° | 120.0° |
CAN | CAK | HAK | 119.8° | 120.0° |
CAK | CAN | CAV | 120.2° | 120.0° |
CAK | CAN | HAN | 119.9° | 120.0° |
CAV | CAN | HAN | 119.9° | 120.0° |
CAN | CAV | CAQ | 119.9° | 119.9° |
CAV | CAQ | NBB | 108.3° | 109.5° |
CAV | CAQ | HAQ1 | 109.8° | 109.5° |
CAV | CAQ | HAQ2 | 110.1° | 109.5° |
NBB | CAQ | HAQ1 | 109.9° | 109.4° |
NBB | CAQ | HAQ2 | 110.1° | 109.4° |
CAQ | NBB | CBA | 124.5° | 125.1° |
CAQ | NBB | CAY | 125.4° | 125.1° |
HAQ1 | CAQ | HAQ2 | 108.6° | 109.5° |
CBA | NBB | CAY | 110.1° | 109.9° |
NBB | CBA | CAO | 132.1° | 132.7° |
NBB | CBA | CAZ | 108.0° | 108.0° |
NBB | CAY | CAS | 126.5° | 125.6° |
NBB | CAY | CAX | 108.2° | 108.8° |
CAS | CAY | CAX | 125.3° | 125.6° |
CAY | CAS | OAA | 118.2° | 120.0° |
CAY | CAS | OAB | 117.7° | 120.0° |
CAY | CAX | CAZ | 107.5° | 106.6° |
CAY | CAX | SAR | 125.4° | 126.7° |
OAA | CAS | OAB | 124.1° | 120.0° |
CAS | OAB | HOAB | 109.5° | 114.0° |
CAO | CBA | CAZ | 119.9° | 119.3° |
CBA | CAO | CAL | 119.8° | 119.8° |
CBA | CAO | HAO | 120.1° | 120.1° |
CBA | CAZ | CAP | 120.6° | 119.9° |
CBA | CAZ | CAX | 106.2° | 106.7° |
CAL | CAO | HAO | 120.1° | 120.0° |
CAO | CAL | CAU | 119.8° | 120.7° |
CAO | CAL | HAL | 120.1° | 119.7° |
CAU | CAL | HAL | 120.1° | 119.7° |
CAL | CAU | CLAD | 119.3° | 119.8° |
CAL | CAU | CAP | 120.8° | 120.5° |
CLAD | CAU | CAP | 119.9° | 119.7° |
CAU | CAP | CAZ | 119.0° | 119.8° |
CAU | CAP | HAP | 120.5° | 120.1° |
CAZ | CAP | HAP | 120.5° | 120.1° |
CAP | CAZ | CAX | 133.2° | 133.4° |
CAZ | CAX | SAR | 127.1° | 126.7° |
CAX | SAR | CAW | 105.2° | 100.0° |
SAR | CAW | CAI | 118.8° | 120.1° |
SAR | CAW | CAH | 121.8° | 120.1° |
CAI | CAW | CAH | 119.4° | 119.8° |
CAW | CAI | CAG | 121.2° | 119.9° |
CAW | CAI | HAI | 119.4° | 120.0° |
CAW | CAH | CAF | 119.5° | 119.9° |
CAW | CAH | HAH | 120.2° | 120.1° |
CAF | CAH | HAH | 120.3° | 120.0° |
CAH | CAF | CAE | 120.9° | 120.0° |
CAH | CAF | HAF | 119.6° | 120.0° |
CAE | CAF | HAF | 119.6° | 120.0° |
CAF | CAE | CAG | 119.8° | 120.2° |
CAF | CAE | HAE | 120.1° | 119.9° |
CAG | CAE | HAE | 120.1° | 119.9° |
CAE | CAG | CAI | 119.2° | 120.1° |
CAE | CAG | HAG | 120.4° | 119.9° |
CAI | CAG | HAG | 120.4° | 120.0° |
CAG | CAI | HAI | 119.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAJ | CAM | CAV | HAM | 180.0° | 179.8° |
CAM | CAJ | CAT | HAJ | 180.0° | 179.9° |
CAM | CAJ | CAT | CLAC | 180.0° | 180.0° |
CAM | CAJ | CAT | CAK | 0.5° | 0.0° |
CAJ | CAM | CAV | CAN | 0.1° | 0.0° |
CAJ | CAM | CAV | CAQ | 179.7° | 179.9° |
CAV | CAM | CAJ | CAT | 0.4° | 0.0° |
CAV | CAM | CAJ | HAJ | 179.6° | 179.9° |
CAM | CAV | CAN | CAK | 0.0° | 0.1° |
CAM | CAV | CAN | CAQ | 179.8° | 179.9° |
CAM | CAV | CAN | HAN | 179.9° | 180.0° |
CAM | CAV | CAQ | NBB | 17.4° | 90.0° |
CAM | CAV | CAQ | HAQ1 | 102.6° | 150.0° |
CAM | CAV | CAQ | HAQ2 | 137.9° | 29.9° |
HAM | CAM | CAJ | CAT | 179.6° | 179.8° |
HAM | CAM | CAJ | HAJ | 0.4° | 0.3° |
HAM | CAM | CAV | CAN | 179.9° | 179.7° |
HAM | CAM | CAV | CAQ | 0.3° | 0.2° |
CAJ | CAT | CLAC | CAK | 179.5° | 179.9° |
CAJ | CAT | CAK | CAN | 0.4° | 0.0° |
CAJ | CAT | CAK | HAK | 179.7° | 179.9° |
HAJ | CAJ | CAT | CLAC | 0.0° | 0.1° |
HAJ | CAJ | CAT | CAK | 179.5° | 179.9° |
CLAC | CAT | CAK | CAN | 179.9° | 179.9° |
CLAC | CAT | CAK | HAK | 0.2° | 0.0° |
CAT | CAK | CAN | HAK | 180.0° | 179.9° |
CAT | CAK | CAN | CAV | 0.1° | 0.1° |
CAT | CAK | CAN | HAN | 179.9° | 180.0° |
CAK | CAN | CAV | HAN | 180.0° | 179.9° |
CAK | CAN | CAV | CAQ | 179.8° | 180.0° |
HAK | CAK | CAN | CAV | 179.9° | 180.0° |
HAK | CAK | CAN | HAN | 0.0° | 0.1° |
CAN | CAV | CAQ | NBB | 162.7° | 90.1° |
CAN | CAV | CAQ | HAQ1 | 77.2° | 29.9° |
CAN | CAV | CAQ | HAQ2 | 42.3° | 150.0° |
HAN | CAN | CAV | CAQ | 0.1° | 0.1° |
CAV | CAQ | NBB | HAQ1 | 120.0° | 120.0° |
CAV | CAQ | NBB | HAQ2 | 120.4° | 120.0° |
CAV | CAQ | HAQ1 | HAQ2 | 120.5° | 120.1° |
CAV | CAQ | NBB | CBA | 86.4° | 90.0° |
CAV | CAQ | NBB | CAY | 91.5° | 89.7° |
NBB | CAQ | HAQ1 | HAQ2 | 120.5° | 119.9° |
CAQ | NBB | CBA | CAY | 178.1° | 179.7° |
CAQ | NBB | CAY | CAS | 1.5° | 0.0° |
CAQ | NBB | CAY | CAX | 179.2° | 180.0° |
CAQ | NBB | CBA | CAO | 1.6° | 0.0° |
CAQ | NBB | CBA | CAZ | 178.8° | 180.0° |
HAQ1 | CAQ | NBB | CBA | 33.6° | 30.0° |
HAQ1 | CAQ | NBB | CAY | 148.5° | 150.3° |
HAQ2 | CAQ | NBB | CBA | 153.2° | 150.0° |
HAQ2 | CAQ | NBB | CAY | 29.0° | 30.3° |
CBA | NBB | CAY | CAS | 179.6° | 179.7° |
CBA | NBB | CAY | CAX | 1.1° | 0.2° |
NBB | CBA | CAO | CAZ | 179.5° | 180.0° |
NBB | CBA | CAO | CAL | 179.6° | 180.0° |
NBB | CBA | CAO | HAO | 0.4° | 0.0° |
NBB | CBA | CAZ | CAP | 179.6° | 180.0° |
NBB | CBA | CAZ | CAX | 0.1° | 0.2° |
NBB | CAY | CAS | CAX | 179.2° | 179.9° |
NBB | CAY | CAS | OAA | 155.1° | 180.0° |
NBB | CAY | CAS | OAB | 24.4° | 0.0° |
CAY | NBB | CBA | CAO | 179.8° | 179.7° |
CAY | NBB | CBA | CAZ | 0.6° | 0.3° |
NBB | CAY | CAX | CAZ | 1.1° | 0.1° |
NBB | CAY | CAX | SAR | 179.5° | 180.0° |
CAY | CAS | OAA | OAB | 179.5° | 179.9° |
CAY | CAS | OAB | HOAB | 179.5° | 180.0° |
CAS | CAY | CAX | CAZ | 179.6° | 179.8° |
CAS | CAY | CAX | SAR | 1.3° | 0.1° |
CAX | CAY | CAS | OAA | 25.8° | 0.1° |
CAX | CAY | CAS | OAB | 154.7° | 179.9° |
CAY | CAX | CAZ | CBA | 0.7° | 0.0° |
CAY | CAX | CAZ | CAP | 179.8° | 179.8° |
CAY | CAX | CAZ | SAR | 178.3° | 179.9° |
CAY | CAX | SAR | CAW | 122.3° | 90.0° |
OAA | CAS | OAB | HOAB | 0.0° | 0.1° |
CBA | CAO | CAL | HAO | 180.0° | 179.9° |
CBA | CAO | CAL | CAU | 0.2° | 0.0° |
CBA | CAO | CAL | HAL | 179.8° | 180.0° |
CAO | CBA | CAZ | CAP | 0.0° | 0.0° |
CAO | CBA | CAZ | CAX | 179.6° | 179.8° |
CAZ | CBA | CAO | CAL | 0.1° | 0.0° |
CAZ | CBA | CAO | HAO | 179.9° | 179.9° |
CBA | CAZ | CAP | CAU | 0.1° | 0.0° |
CBA | CAZ | CAP | CAX | 179.4° | 179.7° |
CBA | CAZ | CAP | HAP | 179.9° | 179.9° |
CBA | CAZ | CAX | SAR | 179.0° | 179.9° |
CAO | CAL | CAU | HAL | 180.0° | 180.0° |
CAO | CAL | CAU | CLAD | 179.8° | 180.0° |
CAO | CAL | CAU | CAP | 0.3° | 0.0° |
HAO | CAO | CAL | CAU | 179.7° | 179.9° |
HAO | CAO | CAL | HAL | 0.2° | 0.0° |
CAL | CAU | CLAD | CAP | 179.5° | 180.0° |
CAL | CAU | CAP | CAZ | 0.2° | 0.0° |
CAL | CAU | CAP | HAP | 179.7° | 179.9° |
HAL | CAL | CAU | CLAD | 0.2° | 0.0° |
HAL | CAL | CAU | CAP | 179.7° | 180.0° |
CLAD | CAU | CAP | CAZ | 179.7° | 180.0° |
CLAD | CAU | CAP | HAP | 0.3° | 0.0° |
CAU | CAP | CAZ | HAP | 180.0° | 180.0° |
CAU | CAP | CAZ | CAX | 179.3° | 179.7° |
CAP | CAZ | CAX | SAR | 1.5° | 0.1° |
HAP | CAP | CAZ | CAX | 0.7° | 0.2° |
CAZ | CAX | SAR | CAW | 59.7° | 89.9° |
CAX | SAR | CAW | CAI | 159.3° | 179.9° |
CAX | SAR | CAW | CAH | 21.4° | 0.3° |
SAR | CAW | CAI | CAH | 179.4° | 179.6° |
SAR | CAW | CAH | CAF | 179.8° | 180.0° |
SAR | CAW | CAH | HAH | 0.2° | 0.1° |
SAR | CAW | CAI | CAG | 179.5° | 179.7° |
SAR | CAW | CAI | HAI | 0.4° | 0.1° |
CAI | CAW | CAH | CAF | 0.5° | 0.4° |
CAI | CAW | CAH | HAH | 179.5° | 179.8° |
CAW | CAI | CAG | CAE | 0.2° | 0.7° |
CAW | CAI | CAG | HAI | 180.0° | 179.6° |
CAW | CAI | CAG | HAG | 179.8° | 179.6° |
CAW | CAH | CAF | HAH | 180.0° | 179.9° |
CAW | CAH | CAF | CAE | 0.5° | 0.0° |
CAW | CAH | CAF | HAF | 179.5° | 179.9° |
CAH | CAW | CAI | CAG | 0.2° | 0.7° |
CAH | CAW | CAI | HAI | 179.8° | 179.7° |
CAH | CAF | CAE | HAF | 180.0° | 179.9° |
CAH | CAF | CAE | CAG | 0.1° | 0.0° |
CAH | CAF | CAE | HAE | 179.9° | 180.0° |
HAH | CAH | CAF | CAE | 179.5° | 179.9° |
HAH | CAH | CAF | HAF | 0.5° | 0.0° |
CAF | CAE | CAG | HAE | 180.0° | 180.0° |
CAF | CAE | CAG | CAI | 0.2° | 0.3° |
CAF | CAE | CAG | HAG | 179.8° | 180.0° |
HAF | CAF | CAE | CAG | 179.9° | 179.9° |
HAF | CAF | CAE | HAE | 0.1° | 0.1° |
CAE | CAG | CAI | HAG | 180.0° | 179.7° |
CAE | CAG | CAI | HAI | 179.9° | 179.7° |
HAE | CAE | CAG | CAI | 179.8° | 179.7° |
HAE | CAE | CAG | HAG | 0.2° | 0.1° |
HAG | CAG | CAI | HAI | 0.2° | 0.0° |