ZYC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | OAK | sing | 1.43Å | 1.34Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| OAD | CAO | sing | 1.36Å | 1.26Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAE | CAM | sing | 1.42Å | 1.36Å | |
| CAE | CAF | doub | 1.35Å | 1.35Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAN | sing | 1.40Å | 1.42Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAO | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAA | sing | 1.53Å | 1.54Å | |
| CAJ | OAL | sing | 1.43Å | 1.34Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| OAL | CAM | sing | 1.35Å | 1.24Å | |
| CAM | OAC | doub | 1.22Å | 1.23Å | |
| CAN | CAF | sing | 1.47Å | 1.41Å | |
| CAN | CAI | doub | 1.40Å | 1.42Å | Aromatic |
| CAO | CAP | doub | 1.39Å | 1.41Å | Aromatic |
| CAP | CAI | sing | 1.38Å | 1.42Å | Aromatic |
| CAP | OAK | sing | 1.36Å | 1.28Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAA | CAA | CAJ | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | CAJ | 109.5° | 109.5° |
| HAAB | CAA | CAJ | 109.5° | 109.5° |
| OAK | CAB | HAB | 109.5° | 109.5° |
| OAK | CAB | HABA | 109.5° | 109.5° |
| OAK | CAB | HABB | 109.5° | 109.5° |
| CAB | OAK | CAP | 132.0° | 117.0° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| CAO | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAO | CAH | 119.6° | 119.9° |
| OAD | CAO | CAP | 120.3° | 119.9° |
| CAM | CAE | CAF | 125.1° | 120.0° |
| CAM | CAE | HAE | 117.4° | 120.0° |
| CAE | CAM | OAL | 122.3° | 120.0° |
| CAE | CAM | OAC | 119.1° | 120.0° |
| CAF | CAE | HAE | 117.4° | 120.0° |
| CAE | CAF | HAF | 116.4° | 120.0° |
| CAE | CAF | CAN | 127.3° | 120.0° |
| HAF | CAF | CAN | 116.4° | 120.0° |
| CAN | CAG | HAG | 119.2° | 120.0° |
| CAN | CAG | CAH | 121.5° | 120.0° |
| CAG | CAN | CAF | 118.6° | 120.1° |
| CAG | CAN | CAI | 117.1° | 119.8° |
| HAG | CAG | CAH | 119.2° | 120.1° |
| CAG | CAH | CAO | 120.2° | 120.2° |
| CAG | CAH | HAH | 119.9° | 119.9° |
| CAO | CAH | HAH | 119.9° | 119.9° |
| CAH | CAO | CAP | 120.1° | 120.2° |
| HAI | CAI | CAN | 119.0° | 120.1° |
| HAI | CAI | CAP | 118.9° | 120.1° |
| CAA | CAJ | OAL | 109.7° | 109.5° |
| CAA | CAJ | HAJ | 109.4° | 109.5° |
| CAA | CAJ | HAJA | 109.4° | 109.4° |
| OAL | CAJ | HAJ | 109.4° | 109.5° |
| OAL | CAJ | HAJA | 109.4° | 109.5° |
| CAJ | OAL | CAM | 127.3° | 117.0° |
| HAJ | CAJ | HAJA | 109.5° | 109.5° |
| OAL | CAM | OAC | 118.5° | 120.0° |
| CAF | CAN | CAI | 124.3° | 120.1° |
| CAN | CAI | CAP | 122.1° | 119.9° |
| CAO | CAP | CAI | 119.0° | 120.0° |
| CAO | CAP | OAK | 116.9° | 120.0° |
| CAI | CAP | OAK | 124.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | HAAA | CAJ | 120.0° | 120.0° |
| HAA | CAA | HAAB | CAJ | 120.0° | 120.0° |
| HAA | CAA | CAJ | OAL | 180.0° | 60.0° |
| HAA | CAA | CAJ | HAJ | 60.0° | 60.0° |
| HAA | CAA | CAJ | HAJA | 60.0° | 180.0° |
| HAAA | CAA | HAAB | CAJ | 120.0° | 120.1° |
| HAAA | CAA | CAJ | OAL | 60.0° | 60.0° |
| HAAA | CAA | CAJ | HAJ | 60.0° | 180.0° |
| HAAA | CAA | CAJ | HAJA | 180.0° | 60.0° |
| HAAB | CAA | CAJ | OAL | 60.0° | 180.0° |
| HAAB | CAA | CAJ | HAJ | 180.0° | 59.9° |
| HAAB | CAA | CAJ | HAJA | 60.0° | 60.0° |
| OAK | CAB | HAB | HABA | 120.0° | 120.0° |
| OAK | CAB | HAB | HABB | 120.0° | 120.0° |
| OAK | CAB | HABA | HABB | 120.0° | 120.1° |
| CAB | OAK | CAP | CAO | 178.6° | 180.0° |
| CAB | OAK | CAP | CAI | 1.2° | 0.2° |
| HAB | CAB | HABA | HABB | 120.0° | 119.9° |
| HAB | CAB | OAK | CAP | 180.0° | 60.0° |
| HABA | CAB | OAK | CAP | 60.0° | 180.0° |
| HABB | CAB | OAK | CAP | 60.0° | 60.0° |
| OAD | CAO | CAH | CAG | 179.5° | 180.0° |
| OAD | CAO | CAH | CAP | 180.0° | 179.9° |
| OAD | CAO | CAH | HAH | 0.5° | 0.0° |
| OAD | CAO | CAP | CAI | 179.5° | 179.8° |
| OAD | CAO | CAP | OAK | 0.8° | 0.1° |
| HOAD | OAD | CAO | CAH | 180.0° | 90.0° |
| HOAD | OAD | CAO | CAP | 0.1° | 90.1° |
| CAM | CAE | CAF | HAE | 180.0° | 180.0° |
| CAM | CAE | CAF | HAF | 1.9° | 0.0° |
| CAE | CAM | OAL | CAJ | 123.3° | 180.0° |
| CAE | CAM | OAL | OAC | 179.2° | 179.9° |
| CAM | CAE | CAF | CAN | 178.1° | 180.0° |
| CAE | CAF | HAF | CAN | 180.0° | 180.0° |
| CAE | CAF | CAN | CAG | 176.3° | 0.0° |
| CAF | CAE | CAM | OAL | 1.0° | 180.0° |
| CAF | CAE | CAM | OAC | 178.2° | 0.1° |
| CAE | CAF | CAN | CAI | 4.5° | 180.0° |
| HAE | CAE | CAF | HAF | 178.1° | 180.0° |
| HAE | CAE | CAM | OAL | 179.1° | 0.0° |
| HAE | CAE | CAM | OAC | 1.8° | 180.0° |
| HAE | CAE | CAF | CAN | 2.0° | 0.0° |
| HAF | CAF | CAN | CAG | 3.7° | 180.0° |
| HAF | CAF | CAN | CAI | 175.5° | 0.1° |
| CAN | CAG | HAG | CAH | 180.0° | 179.8° |
| CAN | CAG | CAH | CAO | 0.1° | 0.1° |
| CAN | CAG | CAH | HAH | 179.9° | 179.9° |
| CAG | CAN | CAI | HAI | 179.6° | 180.0° |
| CAG | CAN | CAF | CAI | 179.2° | 179.9° |
| CAG | CAN | CAI | CAP | 0.4° | 0.4° |
| HAG | CAG | CAH | CAO | 179.9° | 179.8° |
| HAG | CAG | CAH | HAH | 0.1° | 0.3° |
| HAG | CAG | CAN | CAF | 0.4° | 0.1° |
| HAG | CAG | CAN | CAI | 179.6° | 180.0° |
| CAG | CAH | CAO | HAH | 180.0° | 180.0° |
| CAH | CAG | CAN | CAF | 179.6° | 179.7° |
| CAH | CAG | CAN | CAI | 0.4° | 0.2° |
| CAG | CAH | CAO | CAP | 0.6° | 0.1° |
| CAH | CAO | CAP | CAI | 0.6° | 0.2° |
| CAH | CAO | CAP | OAK | 179.2° | 180.0° |
| HAH | CAH | CAO | CAP | 179.4° | 179.9° |
| HAI | CAI | CAN | CAF | 0.4° | 0.1° |
| HAI | CAI | CAN | CAP | 180.0° | 179.5° |
| HAI | CAI | CAP | CAO | 179.9° | 180.0° |
| HAI | CAI | CAP | OAK | 0.3° | 0.2° |
| CAA | CAJ | OAL | HAJ | 120.0° | 120.1° |
| CAA | CAJ | OAL | HAJA | 120.0° | 120.0° |
| CAA | CAJ | HAJ | HAJA | 119.9° | 120.0° |
| CAA | CAJ | OAL | CAM | 174.6° | 180.0° |
| OAL | CAJ | HAJ | HAJA | 119.9° | 120.0° |
| CAJ | OAL | CAM | OAC | 57.5° | 0.0° |
| HAJ | CAJ | OAL | CAM | 54.6° | 60.0° |
| HAJA | CAJ | OAL | CAM | 65.4° | 60.0° |
| CAF | CAN | CAI | CAP | 179.6° | 179.5° |
| CAN | CAI | CAP | CAO | 0.1° | 0.4° |
| CAN | CAI | CAP | OAK | 179.7° | 179.8° |
| CAO | CAP | CAI | OAK | 179.8° | 179.8° |
