XEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | NAH | doub | 1.31Å | 1.33Å | Aromatic |
| CAC | CAN | sing | 1.41Å | 1.32Å | Aromatic |
| NAH | NAM | sing | 1.40Å | 1.23Å | Aromatic |
| NAM | CAF | sing | 1.35Å | 1.33Å | Aromatic |
| CAF | CAN | doub | 1.36Å | 1.32Å | Aromatic |
| CAN | CAP | sing | 1.48Å | 1.39Å | Aromatic |
| CAP | CAG | doub | 1.36Å | 1.38Å | Aromatic |
| CAP | NAI | sing | 1.34Å | 1.34Å | Aromatic |
| CAG | NAS | sing | 1.37Å | 1.38Å | Aromatic |
| NAS | CAR | sing | 1.37Å | 1.38Å | Aromatic |
| NAS | CAQ | sing | 1.37Å | 1.37Å | Aromatic |
| NAI | CAE | doub | 1.31Å | 1.32Å | Aromatic |
| CAE | CAR | sing | 1.41Å | 1.39Å | Aromatic |
| CAR | NAJ | doub | 1.33Å | 1.33Å | Aromatic |
| NAJ | CAD | sing | 1.33Å | 1.33Å | Aromatic |
| CAD | CAQ | doub | 1.38Å | 1.33Å | Aromatic |
| CAQ | CAO | sing | 1.48Å | 1.38Å | Aromatic |
| CAO | CAB | sing | 1.41Å | 1.32Å | Aromatic |
| CAO | NAK | doub | 1.32Å | 1.32Å | Aromatic |
| CAB | CAA | doub | 1.35Å | 1.32Å | Aromatic |
| CAA | NAL | sing | 1.35Å | 1.33Å | Aromatic |
| NAL | NAK | sing | 1.40Å | 1.23Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| NAM | HAM | sing | 0.97Å | 1.00Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| NAL | HAK | sing | 0.97Å | 1.00Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAH | CAC | CAN | 107.1° | 108.1° |
| CAC | NAH | NAM | 109.6° | 108.6° |
| NAH | CAC | HAC | 126.4° | 126.0° |
| CAC | CAN | CAF | 106.6° | 107.6° |
| CAC | CAN | CAP | 126.4° | 126.2° |
| CAN | CAC | HAC | 126.4° | 125.9° |
| NAH | NAM | CAF | 109.5° | 108.2° |
| NAH | NAM | HAM | 125.3° | 126.0° |
| NAM | CAF | CAN | 107.1° | 107.6° |
| CAF | NAM | HAM | 125.2° | 125.8° |
| NAM | CAF | HAF | 126.4° | 126.2° |
| CAF | CAN | CAP | 126.9° | 126.2° |
| CAN | CAF | HAF | 126.4° | 126.2° |
| CAN | CAP | CAG | 119.1° | 119.5° |
| CAN | CAP | NAI | 120.3° | 119.6° |
| CAG | CAP | NAI | 120.5° | 120.9° |
| CAP | CAG | NAS | 118.6° | 119.6° |
| CAP | CAG | HAG | 120.7° | 120.2° |
| CAP | NAI | CAE | 121.6° | 121.3° |
| CAG | NAS | CAR | 119.9° | 119.4° |
| CAG | NAS | CAQ | 133.8° | 133.5° |
| NAS | CAG | HAG | 120.7° | 120.2° |
| CAR | NAS | CAQ | 106.2° | 107.1° |
| NAS | CAR | CAE | 118.8° | 118.9° |
| NAS | CAR | NAJ | 107.5° | 108.4° |
| NAS | CAQ | CAD | 108.3° | 106.6° |
| NAS | CAQ | CAO | 121.5° | 126.7° |
| NAI | CAE | CAR | 120.6° | 119.9° |
| NAI | CAE | HAE | 119.7° | 120.0° |
| CAE | CAR | NAJ | 133.8° | 132.8° |
| CAR | CAE | HAE | 119.7° | 120.1° |
| CAR | NAJ | CAD | 109.3° | 109.5° |
| NAJ | CAD | CAQ | 108.7° | 108.3° |
| NAJ | CAD | HAD | 125.7° | 125.8° |
| CAD | CAQ | CAO | 130.2° | 126.7° |
| CAQ | CAD | HAD | 125.7° | 125.8° |
| CAQ | CAO | CAB | 125.5° | 126.1° |
| CAQ | CAO | NAK | 126.8° | 126.1° |
| CAB | CAO | NAK | 107.6° | 107.8° |
| CAO | CAB | CAA | 106.1° | 107.8° |
| CAO | CAB | HAB | 126.9° | 126.1° |
| CAO | NAK | NAL | 109.3° | 108.1° |
| CAB | CAA | NAL | 107.3° | 108.1° |
| CAA | CAB | HAB | 126.9° | 126.1° |
| CAB | CAA | HAA | 126.4° | 125.9° |
| CAA | NAL | NAK | 109.6° | 108.2° |
| CAA | NAL | HAK | 125.2° | 125.9° |
| NAL | CAA | HAA | 126.4° | 126.0° |
| NAK | NAL | HAK | 125.2° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAH | CAC | CAN | HAC | 180.0° | 179.8° |
| CAC | NAH | NAM | CAF | 0.0° | 0.0° |
| NAH | CAC | CAN | CAF | 0.1° | 0.0° |
| NAH | CAC | CAN | CAP | 180.0° | 180.0° |
| CAC | NAH | NAM | HAM | 180.0° | 180.0° |
| CAN | CAC | NAH | NAM | 0.1° | 0.0° |
| CAC | CAN | CAF | NAM | 0.1° | 0.1° |
| CAC | CAN | CAF | CAP | 180.0° | 179.9° |
| CAC | CAN | CAP | CAG | 0.5° | 0.1° |
| CAC | CAN | CAP | NAI | 179.9° | 179.8° |
| CAC | CAN | CAF | HAF | 179.9° | 180.0° |
| NAH | NAM | CAF | HAM | 180.0° | 180.0° |
| NAH | NAM | CAF | CAN | 0.0° | 0.1° |
| NAM | NAH | CAC | HAC | 180.0° | 179.8° |
| NAH | NAM | CAF | HAF | 180.0° | 180.0° |
| NAM | CAF | CAN | HAF | 180.0° | 179.9° |
| NAM | CAF | CAN | CAP | 180.0° | 180.0° |
| CAF | CAN | CAP | CAG | 179.5° | 179.9° |
| CAF | CAN | CAP | NAI | 0.1° | 0.3° |
| CAF | CAN | CAC | HAC | 179.9° | 179.8° |
| CAN | CAF | NAM | HAM | 180.0° | 180.0° |
| CAN | CAP | CAG | NAI | 179.6° | 179.8° |
| CAN | CAP | CAG | NAS | 180.0° | 180.0° |
| CAN | CAP | NAI | CAE | 179.9° | 180.0° |
| CAP | CAN | CAC | HAC | 0.0° | 0.1° |
| CAP | CAN | CAF | HAF | 0.0° | 0.1° |
| CAN | CAP | CAG | HAG | 0.0° | 0.0° |
| CAP | CAG | NAS | HAG | 180.0° | 179.9° |
| CAP | CAG | NAS | CAR | 0.1° | 0.0° |
| CAP | CAG | NAS | CAQ | 180.0° | 180.0° |
| CAG | CAP | NAI | CAE | 0.5° | 0.2° |
| NAI | CAP | CAG | NAS | 0.4° | 0.2° |
| CAP | NAI | CAE | CAR | 0.4° | 0.0° |
| NAI | CAP | CAG | HAG | 179.6° | 179.7° |
| CAP | NAI | CAE | HAE | 179.6° | 180.0° |
| CAG | NAS | CAR | CAQ | 179.9° | 180.0° |
| CAG | NAS | CAR | CAE | 0.0° | 0.3° |
| CAG | NAS | CAR | NAJ | 179.9° | 180.0° |
| CAG | NAS | CAQ | CAD | 179.8° | 180.0° |
| CAG | NAS | CAQ | CAO | 0.7° | 0.0° |
| NAS | CAR | CAE | NAI | 0.2° | 0.3° |
| NAS | CAR | CAE | NAJ | 179.9° | 179.7° |
| NAS | CAR | NAJ | CAD | 0.1° | 0.0° |
| CAR | NAS | CAQ | CAD | 0.0° | 0.0° |
| CAR | NAS | CAQ | CAO | 179.1° | 180.0° |
| CAR | NAS | CAG | HAG | 179.9° | 180.0° |
| NAS | CAR | CAE | HAE | 179.8° | 179.7° |
| CAQ | NAS | CAR | CAE | 179.9° | 179.8° |
| CAQ | NAS | CAR | NAJ | 0.1° | 0.0° |
| NAS | CAQ | CAD | NAJ | 0.1° | 0.0° |
| NAS | CAQ | CAD | CAO | 179.0° | 180.0° |
| NAS | CAQ | CAO | CAB | 0.5° | 0.0° |
| NAS | CAQ | CAO | NAK | 179.1° | 179.7° |
| CAQ | NAS | CAG | HAG | 0.0° | 0.1° |
| NAS | CAQ | CAD | HAD | 179.9° | 180.0° |
| NAI | CAE | CAR | HAE | 180.0° | 180.0° |
| NAI | CAE | CAR | NAJ | 179.8° | 179.9° |
| CAE | CAR | NAJ | CAD | 179.8° | 179.7° |
| CAR | NAJ | CAD | CAQ | 0.1° | 0.0° |
| NAJ | CAR | CAE | HAE | 0.2° | 0.1° |
| CAR | NAJ | CAD | HAD | 179.9° | 180.0° |
| NAJ | CAD | CAQ | HAD | 180.0° | 180.0° |
| NAJ | CAD | CAQ | CAO | 179.1° | 180.0° |
| CAD | CAQ | CAO | CAB | 178.4° | 179.9° |
| CAD | CAQ | CAO | NAK | 0.2° | 0.4° |
| CAQ | CAO | CAB | NAK | 178.8° | 179.7° |
| CAQ | CAO | CAB | CAA | 179.2° | 180.0° |
| CAQ | CAO | NAK | NAL | 179.1° | 179.9° |
| CAO | CAQ | CAD | HAD | 0.9° | 0.1° |
| CAQ | CAO | CAB | HAB | 0.8° | 0.0° |
| CAO | CAB | CAA | HAB | 180.0° | 180.0° |
| CAO | CAB | CAA | NAL | 0.3° | 0.0° |
| CAB | CAO | NAK | NAL | 0.3° | 0.4° |
| CAO | CAB | CAA | HAA | 179.7° | 180.0° |
| NAK | CAO | CAB | CAA | 0.4° | 0.2° |
| CAO | NAK | NAL | CAA | 0.0° | 0.4° |
| NAK | CAO | CAB | HAB | 179.6° | 179.7° |
| CAO | NAK | NAL | HAK | 180.0° | 179.8° |
| CAB | CAA | NAL | HAA | 180.0° | 180.0° |
| CAB | CAA | NAL | NAK | 0.2° | 0.3° |
| CAB | CAA | NAL | HAK | 179.8° | 180.0° |
| CAA | NAL | NAK | HAK | 180.0° | 179.8° |
| NAL | CAA | CAB | HAB | 179.7° | 180.0° |
| NAK | NAL | CAA | HAA | 179.8° | 179.8° |
| HAM | NAM | CAF | HAF | 0.0° | 0.1° |
| HAB | CAB | CAA | HAA | 0.3° | 0.1° |
| HAK | NAL | CAA | HAA | 0.2° | 0.0° |
