Z0B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAN | sing | 1.42Å | 1.43Å | Aromatic |
| CAO | CAL | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | CAM | doub | 1.47Å | 1.44Å | Aromatic |
| CAN | CAH | sing | 1.40Å | 1.41Å | Aromatic |
| CAN | CAK | doub | 1.40Å | 1.42Å | Aromatic |
| CAH | CAD | doub | 1.36Å | 1.36Å | Aromatic |
| CAD | N | sing | 1.32Å | 1.34Å | Aromatic |
| CAL | N | doub | 1.32Å | 1.33Å | Aromatic |
| CAC | CAG | doub | 1.32Å | 1.35Å | Aromatic |
| CAC | SAK | sing | 1.76Å | 1.72Å | Aromatic |
| CAG | CAM | sing | 1.40Å | 1.47Å | Aromatic |
| CAM | CAJ | sing | 1.40Å | 1.44Å | Aromatic |
| CAJ | NAC | doub | 1.34Å | 1.34Å | Aromatic |
| CAJ | SAK | sing | 1.76Å | 1.74Å | Aromatic |
| NAC | CAK | sing | 1.31Å | 1.32Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAO | CAL | 115.3° | 119.3° |
| CAN | CAO | CAM | 119.0° | 118.2° |
| CAO | CAN | CAH | 118.8° | 118.1° |
| CAO | CAN | CAK | 118.3° | 118.9° |
| CAL | CAO | CAM | 125.7° | 122.5° |
| CAO | CAL | N | 125.2° | 119.5° |
| CAO | CAL | HAL | 117.4° | 120.2° |
| CAO | CAM | CAG | 132.9° | 130.0° |
| CAO | CAM | CAJ | 114.1° | 117.2° |
| CAH | CAN | CAK | 122.9° | 123.0° |
| CAN | CAH | CAD | 119.1° | 118.5° |
| CAN | CAH | HAH | 120.4° | 120.8° |
| CAN | CAK | NAC | 124.7° | 120.8° |
| CAN | CAK | HAK | 117.6° | 119.6° |
| CAH | CAD | N | 124.1° | 122.0° |
| CAD | CAH | HAH | 120.4° | 120.7° |
| CAH | CAD | HAD | 118.0° | 119.0° |
| CAD | N | CAL | 117.4° | 122.7° |
| N | CAD | HAD | 117.9° | 119.0° |
| N | CAL | HAL | 117.4° | 120.2° |
| CAG | CAC | SAK | 113.6° | 110.7° |
| CAC | CAG | CAM | 111.5° | 115.8° |
| CAG | CAC | HAC | 123.2° | 124.7° |
| CAC | CAG | HAG | 124.2° | 122.1° |
| CAC | SAK | CAJ | 93.6° | 91.6° |
| SAK | CAC | HAC | 123.2° | 124.6° |
| CAG | CAM | CAJ | 112.9° | 112.8° |
| CAM | CAG | HAG | 124.2° | 122.1° |
| CAM | CAJ | NAC | 127.1° | 120.8° |
| CAM | CAJ | SAK | 108.3° | 109.1° |
| NAC | CAJ | SAK | 124.5° | 130.1° |
| CAJ | NAC | CAK | 116.7° | 124.1° |
| NAC | CAK | HAK | 117.6° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAO | CAL | CAM | 179.7° | 179.7° |
| CAO | CAN | CAH | CAK | 179.7° | 180.0° |
| CAO | CAN | CAH | CAD | 0.4° | 0.1° |
| CAN | CAO | CAL | N | 0.2° | 0.0° |
| CAN | CAO | CAM | CAG | 176.9° | 180.0° |
| CAN | CAO | CAM | CAJ | 0.6° | 0.0° |
| CAO | CAN | CAK | NAC | 0.1° | 0.6° |
| CAN | CAO | CAL | HAL | 179.8° | 180.0° |
| CAO | CAN | CAH | HAH | 179.6° | 180.0° |
| CAO | CAN | CAK | HAK | 179.9° | 180.0° |
| CAL | CAO | CAN | CAH | 0.4° | 0.0° |
| CAL | CAO | CAN | CAK | 179.9° | 180.0° |
| CAO | CAL | N | CAD | 0.7° | 0.0° |
| CAO | CAL | N | HAL | 180.0° | 180.0° |
| CAL | CAO | CAM | CAG | 2.8° | 0.3° |
| CAL | CAO | CAM | CAJ | 179.7° | 179.7° |
| CAM | CAO | CAN | CAH | 179.4° | 179.7° |
| CAM | CAO | CAN | CAK | 0.3° | 0.3° |
| CAM | CAO | CAL | N | 179.9° | 179.7° |
| CAO | CAM | CAG | CAC | 177.7° | 180.0° |
| CAO | CAM | CAG | CAJ | 177.5° | 180.0° |
| CAO | CAM | CAJ | NAC | 0.6° | 0.0° |
| CAO | CAM | CAJ | SAK | 178.3° | 180.0° |
| CAM | CAO | CAL | HAL | 0.1° | 0.3° |
| CAO | CAM | CAG | HAG | 2.3° | 0.0° |
| CAN | CAH | CAD | HAH | 180.0° | 179.9° |
| CAN | CAH | CAD | N | 0.1° | 0.1° |
| CAH | CAN | CAK | NAC | 179.8° | 179.4° |
| CAH | CAN | CAK | HAK | 0.2° | 0.0° |
| CAN | CAH | CAD | HAD | 179.9° | 180.0° |
| CAK | CAN | CAH | CAD | 179.9° | 180.0° |
| CAN | CAK | NAC | CAJ | 0.2° | 0.6° |
| CAN | CAK | NAC | HAK | 180.0° | 179.4° |
| CAK | CAN | CAH | HAH | 0.1° | 0.0° |
| CAH | CAD | N | HAD | 180.0° | 179.9° |
| CAH | CAD | N | CAL | 0.6° | 0.1° |
| CAD | N | CAL | HAL | 179.3° | 180.0° |
| N | CAD | CAH | HAH | 179.9° | 180.0° |
| CAL | N | CAD | HAD | 179.4° | 180.0° |
| CAG | CAC | SAK | HAC | 180.0° | 179.9° |
| CAC | CAG | CAM | HAG | 180.0° | 180.0° |
| CAC | CAG | CAM | CAJ | 0.2° | 0.0° |
| CAG | CAC | SAK | CAJ | 0.2° | 0.0° |
| SAK | CAC | CAG | CAM | 0.0° | 0.0° |
| CAC | SAK | CAJ | CAM | 0.3° | 0.0° |
| CAC | SAK | CAJ | NAC | 177.5° | 180.0° |
| SAK | CAC | CAG | HAG | 180.0° | 180.0° |
| CAG | CAM | CAJ | NAC | 177.4° | 180.0° |
| CAG | CAM | CAJ | SAK | 0.3° | 0.0° |
| CAM | CAG | CAC | HAC | 180.0° | 179.9° |
| CAM | CAJ | NAC | SAK | 177.4° | 180.0° |
| CAM | CAJ | NAC | CAK | 0.2° | 0.3° |
| CAJ | CAM | CAG | HAG | 179.8° | 180.0° |
| CAJ | NAC | CAK | HAK | 179.8° | 180.0° |
| SAK | CAJ | NAC | CAK | 177.6° | 179.7° |
| CAJ | SAK | CAC | HAC | 179.8° | 179.9° |
| HAH | CAH | CAD | HAD | 0.2° | 0.1° |
| HAC | CAC | CAG | HAG | 0.0° | 0.1° |
