Z88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.51Å | 1.50Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | CAK | doub | 1.21Å | 1.23Å | |
| SAN | OAC | doub | 1.42Å | 1.42Å | |
| SAN | OAD | doub | 1.42Å | 1.43Å | |
| CAL | BRAE | sing | 1.89Å | 1.94Å | |
| CAL | CAF | doub | 1.38Å | 1.42Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAI | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAL | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | NAJ | sing | 1.35Å | 1.35Å | |
| NAJ | SAN | sing | 1.66Å | 1.55Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| SAN | CAM | sing | 1.76Å | 1.61Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAA | HAA | 109.5° | 109.4° |
| CAK | CAA | HAAA | 109.5° | 109.5° |
| CAK | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAK | OAB | 120.5° | 120.0° |
| CAA | CAK | NAJ | 117.8° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAK | NAJ | 121.7° | 120.0° |
| OAC | SAN | OAD | 109.2° | 123.1° |
| OAC | SAN | NAJ | 104.2° | 106.4° |
| OAC | SAN | CAM | 104.6° | 106.4° |
| OAD | SAN | NAJ | 114.6° | 106.4° |
| OAD | SAN | CAM | 108.3° | 106.4° |
| BRAE | CAL | CAF | 123.8° | 120.0° |
| BRAE | CAL | CAG | 116.6° | 120.0° |
| CAL | CAF | CAH | 118.8° | 120.0° |
| CAL | CAF | HAF | 120.6° | 120.0° |
| CAF | CAL | CAG | 119.6° | 119.9° |
| CAH | CAF | HAF | 120.6° | 120.0° |
| CAF | CAH | CAM | 120.5° | 120.0° |
| CAF | CAH | HAH | 119.8° | 120.0° |
| CAI | CAG | CAL | 121.9° | 120.0° |
| CAI | CAG | HAG | 119.0° | 120.0° |
| CAG | CAI | CAM | 118.6° | 120.0° |
| CAG | CAI | HAI | 120.7° | 120.1° |
| CAL | CAG | HAG | 119.0° | 120.0° |
| CAM | CAH | HAH | 119.7° | 120.0° |
| CAH | CAM | CAI | 120.7° | 120.1° |
| CAH | CAM | SAN | 122.3° | 120.0° |
| CAM | CAI | HAI | 120.7° | 119.9° |
| CAI | CAM | SAN | 117.0° | 120.0° |
| CAK | NAJ | SAN | 132.7° | 120.0° |
| CAK | NAJ | HNAJ | 113.7° | 120.0° |
| SAN | NAJ | HNAJ | 113.6° | 120.0° |
| NAJ | SAN | CAM | 115.2° | 107.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAK | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAK | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAK | OAB | NAJ | 179.9° | 180.0° |
| CAA | CAK | NAJ | SAN | 1.1° | 180.0° |
| CAA | CAK | NAJ | HNAJ | 178.9° | 0.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAK | OAB | 0.0° | 0.0° |
| HAA | CAA | CAK | NAJ | 179.9° | 180.0° |
| HAAA | CAA | CAK | OAB | 120.0° | 120.0° |
| HAAA | CAA | CAK | NAJ | 59.9° | 60.0° |
| HAAB | CAA | CAK | OAB | 120.0° | 120.0° |
| HAAB | CAA | CAK | NAJ | 60.1° | 60.0° |
| OAB | CAK | NAJ | SAN | 178.7° | 0.0° |
| OAB | CAK | NAJ | HNAJ | 1.2° | 180.0° |
| OAC | SAN | OAD | NAJ | 116.5° | 122.9° |
| OAC | SAN | OAD | CAM | 113.4° | 123.0° |
| OAC | SAN | CAM | CAH | 114.9° | 156.7° |
| OAC | SAN | CAM | CAI | 63.0° | 23.6° |
| OAC | SAN | NAJ | CAK | 161.7° | 178.5° |
| OAC | SAN | NAJ | CAM | 114.0° | 113.6° |
| OAC | SAN | NAJ | HNAJ | 18.3° | 1.4° |
| OAD | SAN | CAM | CAH | 1.6° | 23.8° |
| OAD | SAN | CAM | CAI | 179.4° | 156.5° |
| OAD | SAN | NAJ | CAK | 42.4° | 48.6° |
| OAD | SAN | NAJ | CAM | 126.7° | 113.5° |
| OAD | SAN | NAJ | HNAJ | 137.6° | 131.5° |
| BRAE | CAL | CAF | CAG | 178.7° | 180.0° |
| BRAE | CAL | CAF | CAH | 178.7° | 179.7° |
| BRAE | CAL | CAF | HAF | 1.3° | 0.0° |
| BRAE | CAL | CAG | CAI | 178.4° | 180.0° |
| BRAE | CAL | CAG | HAG | 1.7° | 0.0° |
| CAL | CAF | CAH | HAF | 180.0° | 179.7° |
| CAF | CAL | CAG | CAI | 0.4° | 0.0° |
| CAF | CAL | CAG | HAG | 179.5° | 179.9° |
| CAL | CAF | CAH | CAM | 0.1° | 0.3° |
| CAL | CAF | CAH | HAH | 179.9° | 179.8° |
| CAH | CAF | CAL | CAG | 0.0° | 0.3° |
| CAF | CAH | CAM | HAH | 180.0° | 179.9° |
| CAF | CAH | CAM | CAI | 0.8° | 0.0° |
| CAF | CAH | CAM | SAN | 178.5° | 179.7° |
| HAF | CAF | CAL | CAG | 180.0° | 180.0° |
| HAF | CAF | CAH | CAM | 179.9° | 180.0° |
| HAF | CAF | CAH | HAH | 0.1° | 0.0° |
| CAI | CAG | CAL | HAG | 180.0° | 179.9° |
| CAG | CAI | CAM | CAH | 1.2° | 0.2° |
| CAG | CAI | CAM | HAI | 180.0° | 179.7° |
| CAG | CAI | CAM | SAN | 179.1° | 180.0° |
| CAL | CAG | CAI | CAM | 1.0° | 0.3° |
| CAL | CAG | CAI | HAI | 178.9° | 180.0° |
| HAG | CAG | CAI | CAM | 178.9° | 179.7° |
| HAG | CAG | CAI | HAI | 1.1° | 0.0° |
| CAH | CAM | CAI | SAN | 177.9° | 179.7° |
| CAH | CAM | CAI | HAI | 178.8° | 179.9° |
| CAH | CAM | SAN | NAJ | 131.4° | 89.8° |
| HAH | CAH | CAM | CAI | 179.2° | 180.0° |
| HAH | CAH | CAM | SAN | 1.4° | 0.2° |
| CAI | CAM | SAN | NAJ | 50.8° | 90.0° |
| HAI | CAI | CAM | SAN | 0.9° | 0.3° |
| CAK | NAJ | SAN | HNAJ | 180.0° | 179.9° |
| CAK | NAJ | SAN | CAM | 84.3° | 65.0° |
| HNAJ | NAJ | SAN | CAM | 95.7° | 115.0° |
