NJZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAC | CAB | doub | 1.30Å | 1.33Å | |
| CAB | NAA | sing | 1.38Å | 1.33Å | |
| CAB | SAD | sing | 1.76Å | 1.74Å | |
| SAD | CAE | sing | 1.81Å | 1.83Å | |
| CAE | CAF | sing | 1.51Å | 1.39Å | |
| CAQ | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAK | sing | 1.51Å | 1.36Å | |
| CAL | SAM | sing | 1.81Å | 1.86Å | |
| NAP | CAN | doub | 1.30Å | 1.33Å | |
| CAK | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | SAM | sing | 1.76Å | 1.76Å | |
| CAN | NAO | sing | 1.38Å | 1.34Å | |
| CAG | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | BR1 | sing | 1.89Å | 1.88Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAF | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAM | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| NAA | HAA | sing | 0.97Å | 1.00Å | |
| NAA | HAT | sing | 0.97Å | 1.00Å | |
| NAC | HAC | sing | 0.97Å | 1.00Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| NAO | HAU | sing | 0.97Å | 1.00Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAC | CAB | NAA | 123.7° | 120.0° |
| NAC | CAB | SAD | 117.5° | 120.0° |
| CAB | NAC | HAC | 112.0° | 120.0° |
| NAA | CAB | SAD | 118.7° | 120.0° |
| CAB | NAA | HAA | 120.0° | 120.0° |
| CAB | NAA | HAT | 120.0° | 119.9° |
| CAB | SAD | CAE | 103.7° | 100.0° |
| SAD | CAE | CAF | 108.9° | 109.5° |
| SAD | CAE | HAE | 109.6° | 109.5° |
| SAD | CAE | HAF | 109.6° | 109.4° |
| CAE | CAF | CAQ | 118.5° | 120.0° |
| CAE | CAF | CAG | 121.1° | 120.0° |
| CAF | CAE | HAE | 109.6° | 109.5° |
| CAF | CAE | HAF | 109.6° | 109.5° |
| CAF | CAQ | CAK | 120.0° | 120.0° |
| CAQ | CAF | CAG | 120.4° | 120.0° |
| CAF | CAQ | HAQ | 120.0° | 120.0° |
| CAQ | CAK | CAL | 121.0° | 120.0° |
| CAQ | CAK | CAJ | 119.6° | 120.0° |
| CAK | CAQ | HAQ | 120.0° | 120.0° |
| CAF | CAG | CAH | 119.2° | 120.0° |
| CAF | CAG | HAG | 120.4° | 120.0° |
| CAK | CAL | SAM | 96.8° | 109.4° |
| CAL | CAK | CAJ | 119.3° | 120.0° |
| CAK | CAL | HAM | 112.5° | 109.5° |
| CAK | CAL | HAL | 112.6° | 109.5° |
| CAL | SAM | CAN | 113.7° | 100.0° |
| SAM | CAL | HAM | 112.5° | 109.5° |
| SAM | CAL | HAL | 112.5° | 109.5° |
| NAP | CAN | SAM | 119.7° | 120.0° |
| NAP | CAN | NAO | 123.3° | 120.0° |
| CAN | NAP | HAP | 112.0° | 120.0° |
| CAK | CAJ | CAH | 120.7° | 120.0° |
| CAK | CAJ | HAJ | 119.6° | 120.0° |
| SAM | CAN | NAO | 117.0° | 120.0° |
| CAN | NAO | HAO | 120.0° | 120.0° |
| CAN | NAO | HAU | 120.0° | 120.0° |
| CAG | CAH | CAJ | 120.0° | 120.0° |
| CAG | CAH | BR1 | 123.0° | 120.0° |
| CAH | CAG | HAG | 120.4° | 120.0° |
| CAJ | CAH | BR1 | 117.0° | 120.0° |
| CAH | CAJ | HAJ | 119.6° | 120.0° |
| HAE | CAE | HAF | 109.5° | 109.5° |
| HAM | CAL | HAL | 109.5° | 109.5° |
| HAA | NAA | HAT | 120.0° | 120.0° |
| HAO | NAO | HAU | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAC | CAB | NAA | SAD | 176.6° | 179.7° |
| NAC | CAB | SAD | CAE | 125.0° | 0.3° |
| NAC | CAB | NAA | HAA | 176.7° | 179.7° |
| NAC | CAB | NAA | HAT | 3.3° | 0.3° |
| NAA | CAB | SAD | CAE | 58.2° | 180.0° |
| CAB | NAA | HAA | HAT | 180.0° | 179.9° |
| NAA | CAB | NAC | HAC | 176.7° | 179.9° |
| CAB | SAD | CAE | CAF | 178.1° | 180.0° |
| CAB | SAD | CAE | HAE | 62.0° | 60.0° |
| CAB | SAD | CAE | HAF | 58.2° | 60.0° |
| SAD | CAB | NAA | HAA | 0.0° | 0.0° |
| SAD | CAB | NAA | HAT | 180.0° | 180.0° |
| SAD | CAB | NAC | HAC | 0.0° | 0.2° |
| SAD | CAE | CAF | HAE | 119.9° | 120.0° |
| SAD | CAE | CAF | HAF | 119.9° | 119.9° |
| SAD | CAE | CAF | CAQ | 91.5° | 90.3° |
| SAD | CAE | CAF | CAG | 86.7° | 90.0° |
| SAD | CAE | HAE | HAF | 120.2° | 120.0° |
| CAE | CAF | CAQ | CAG | 178.2° | 179.7° |
| CAE | CAF | CAQ | CAK | 177.8° | 179.8° |
| CAE | CAF | CAG | CAH | 178.8° | 179.9° |
| CAF | CAE | HAE | HAF | 120.3° | 120.0° |
| CAE | CAF | CAG | HAG | 1.2° | 0.1° |
| CAE | CAF | CAQ | HAQ | 2.2° | 0.0° |
| CAF | CAQ | CAK | HAQ | 180.0° | 179.8° |
| CAF | CAQ | CAK | CAL | 179.5° | 179.7° |
| CAF | CAQ | CAK | CAJ | 1.8° | 0.5° |
| CAQ | CAF | CAG | CAH | 0.7° | 0.3° |
| CAQ | CAF | CAE | HAE | 148.6° | 29.7° |
| CAQ | CAF | CAE | HAF | 28.4° | 149.8° |
| CAQ | CAF | CAG | HAG | 179.3° | 179.7° |
| CAK | CAQ | CAF | CAG | 0.4° | 0.5° |
| CAQ | CAK | CAL | CAJ | 177.6° | 179.8° |
| CAQ | CAK | CAL | SAM | 104.6° | 89.8° |
| CAQ | CAK | CAJ | CAH | 2.3° | 0.2° |
| CAQ | CAK | CAJ | HAJ | 177.7° | 179.8° |
| CAQ | CAK | CAL | HAM | 13.2° | 30.2° |
| CAQ | CAK | CAL | HAL | 137.5° | 150.2° |
| CAF | CAG | CAH | HAG | 180.0° | 180.0° |
| CAF | CAG | CAH | CAJ | 0.3° | 0.0° |
| CAF | CAG | CAH | BR1 | 179.4° | 180.0° |
| CAG | CAF | CAE | HAE | 33.2° | 150.0° |
| CAG | CAF | CAE | HAF | 153.4° | 29.9° |
| CAG | CAF | CAQ | HAQ | 179.6° | 179.7° |
| CAK | CAL | SAM | HAM | 117.8° | 120.0° |
| CAK | CAL | SAM | HAL | 117.9° | 119.9° |
| CAK | CAL | SAM | CAN | 178.3° | 180.0° |
| CAL | CAK | CAJ | CAH | 180.0° | 180.0° |
| CAL | CAK | CAJ | HAJ | 0.1° | 0.0° |
| CAK | CAL | HAM | HAL | 126.0° | 120.0° |
| CAL | CAK | CAQ | HAQ | 0.5° | 0.1° |
| CAL | SAM | CAN | NAP | 6.1° | 0.0° |
| SAM | CAL | CAK | CAJ | 73.0° | 90.0° |
| CAL | SAM | CAN | NAO | 176.6° | 180.0° |
| SAM | CAL | HAM | HAL | 125.9° | 120.0° |
| NAP | CAN | SAM | NAO | 177.3° | 180.0° |
| NAP | CAN | NAO | HAO | 177.2° | 179.9° |
| NAP | CAN | NAO | HAU | 2.9° | 0.0° |
| CAK | CAJ | CAH | CAG | 1.2° | 0.1° |
| CAK | CAJ | CAH | HAJ | 180.0° | 180.0° |
| CAK | CAJ | CAH | BR1 | 179.0° | 180.0° |
| CAJ | CAK | CAL | HAM | 169.1° | 150.0° |
| CAJ | CAK | CAL | HAL | 44.9° | 29.9° |
| CAJ | CAK | CAQ | HAQ | 178.1° | 179.7° |
| CAN | SAM | CAL | HAM | 60.5° | 60.0° |
| CAN | SAM | CAL | HAL | 63.8° | 60.0° |
| SAM | CAN | NAO | HAO | 0.0° | 0.1° |
| SAM | CAN | NAO | HAU | 180.0° | 180.0° |
| SAM | CAN | NAP | HAP | 177.1° | 180.0° |
| CAN | NAO | HAO | HAU | 180.0° | 179.9° |
| NAO | CAN | NAP | HAP | 0.0° | 0.0° |
| CAG | CAH | CAJ | BR1 | 179.7° | 179.9° |
| CAG | CAH | CAJ | HAJ | 178.8° | 180.0° |
| CAJ | CAH | CAG | HAG | 179.7° | 180.0° |
| BR1 | CAH | CAG | HAG | 0.6° | 0.1° |
| BR1 | CAH | CAJ | HAJ | 0.9° | 0.0° |
