FYX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CPO | CPR | sing | 1.38Å | 1.41Å | Aromatic |
| CPO | CPP | doub | 1.40Å | 1.42Å | Aromatic |
| CPO | HPO | sing | 1.08Å | 1.10Å | |
| CPR | NPS | doub | 1.32Å | 1.36Å | Aromatic |
| CPR | HPR | sing | 1.08Å | 1.10Å | |
| NPS | CPT | sing | 1.32Å | 1.35Å | Aromatic |
| CPT | CPQ | doub | 1.38Å | 1.41Å | Aromatic |
| CPT | HPT | sing | 1.08Å | 1.10Å | |
| CPQ | CPP | sing | 1.40Å | 1.43Å | Aromatic |
| CPQ | HPQ | sing | 1.08Å | 1.10Å | |
| CPP | CPM | sing | 1.48Å | 1.40Å | Aromatic |
| CPM | NPJ | doub | 1.32Å | 1.38Å | Aromatic |
| CPM | NPN | sing | 1.35Å | 1.38Å | Aromatic |
| NPJ | CPK | sing | 1.34Å | 1.38Å | Aromatic |
| NPN | NPL | sing | 1.40Å | 1.27Å | Aromatic |
| NPN | HPN | sing | 0.97Å | 1.02Å | |
| NPL | CPK | doub | 1.32Å | 1.38Å | Aromatic |
| CPK | CPH | sing | 1.48Å | 1.40Å | Aromatic |
| CPH | CPG | doub | 1.40Å | 1.43Å | Aromatic |
| CPH | CPI | sing | 1.40Å | 1.42Å | Aromatic |
| CPG | CPD | sing | 1.39Å | 1.41Å | Aromatic |
| CPG | HPG | sing | 1.08Å | 1.10Å | |
| CPI | CPF | doub | 1.38Å | 1.42Å | Aromatic |
| CPI | HPI | sing | 1.08Å | 1.10Å | |
| CPF | NPE | sing | 1.32Å | 1.34Å | Aromatic |
| CPF | HPF | sing | 1.08Å | 1.10Å | |
| NPE | CPD | doub | 1.33Å | 1.37Å | Aromatic |
| CPD | CPB | sing | 1.43Å | 1.40Å | |
| CPB | NPC | trip | 1.14Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CPR | CPO | CPP | 118.4° | 119.0° |
| CPR | CPO | HPO | 120.3° | 120.5° |
| CPO | CPR | NPS | 118.0° | 120.9° |
| CPO | CPR | HPR | 122.8° | 119.6° |
| CPP | CPO | HPO | 121.3° | 120.5° |
| CPO | CPP | CPQ | 121.3° | 118.2° |
| CPO | CPP | CPM | 118.9° | 120.9° |
| NPS | CPR | HPR | 119.2° | 119.5° |
| CPR | NPS | CPT | 126.3° | 122.0° |
| NPS | CPT | CPQ | 118.6° | 120.9° |
| NPS | CPT | HPT | 118.5° | 119.5° |
| CPQ | CPT | HPT | 122.9° | 119.6° |
| CPT | CPQ | CPP | 117.5° | 119.0° |
| CPT | CPQ | HPQ | 120.6° | 120.5° |
| CPP | CPQ | HPQ | 121.9° | 120.5° |
| CPQ | CPP | CPM | 119.9° | 120.9° |
| CPP | CPM | NPJ | 128.0° | 126.0° |
| CPP | CPM | NPN | 127.5° | 126.0° |
| NPJ | CPM | NPN | 104.5° | 107.9° |
| CPM | NPJ | CPK | 109.3° | 109.8° |
| CPM | NPN | NPL | 110.7° | 106.4° |
| CPM | NPN | HPN | 128.0° | 126.8° |
| NPJ | CPK | NPL | 104.5° | 109.0° |
| NPJ | CPK | CPH | 127.4° | 125.5° |
| NPL | NPN | HPN | 121.3° | 126.8° |
| NPN | NPL | CPK | 111.0° | 106.9° |
| NPL | CPK | CPH | 128.1° | 125.5° |
| CPK | CPH | CPG | 121.2° | 120.9° |
| CPK | CPH | CPI | 118.3° | 120.8° |
| CPG | CPH | CPI | 120.4° | 118.3° |
| CPH | CPG | CPD | 117.4° | 118.9° |
| CPH | CPG | HPG | 121.8° | 120.5° |
| CPH | CPI | CPF | 119.7° | 119.2° |
| CPH | CPI | HPI | 120.1° | 120.4° |
| CPD | CPG | HPG | 120.8° | 120.6° |
| CPG | CPD | NPE | 119.6° | 120.6° |
| CPG | CPD | CPB | 121.5° | 119.7° |
| CPF | CPI | HPI | 120.1° | 120.4° |
| CPI | CPF | NPE | 118.0° | 121.0° |
| CPI | CPF | HPF | 123.6° | 119.4° |
| NPE | CPF | HPF | 118.4° | 119.5° |
| CPF | NPE | CPD | 124.9° | 121.9° |
| NPE | CPD | CPB | 118.9° | 119.6° |
| CPD | CPB | NPC | 178.8° | 179.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CPR | CPO | CPP | HPO | 180.0° | 180.0° |
| CPO | CPR | NPS | HPR | 180.0° | 180.0° |
| CPO | CPR | NPS | CPT | 0.3° | 0.1° |
| CPR | CPO | CPP | CPQ | 0.1° | 0.2° |
| CPR | CPO | CPP | CPM | 179.6° | 180.0° |
| CPP | CPO | CPR | NPS | 0.2° | 0.1° |
| CPP | CPO | CPR | HPR | 179.8° | 179.9° |
| CPO | CPP | CPQ | CPT | 0.0° | 0.4° |
| CPO | CPP | CPQ | CPM | 179.5° | 179.8° |
| CPO | CPP | CPQ | HPQ | 179.9° | 179.9° |
| CPO | CPP | CPM | NPJ | 0.1° | 39.5° |
| CPO | CPP | CPM | NPN | 179.9° | 140.3° |
| HPO | CPO | CPR | NPS | 179.8° | 179.9° |
| HPO | CPO | CPR | HPR | 0.2° | 0.0° |
| HPO | CPO | CPP | CPQ | 180.0° | 179.8° |
| HPO | CPO | CPP | CPM | 0.5° | 0.0° |
| CPR | NPS | CPT | CPQ | 0.2° | 0.2° |
| CPR | NPS | CPT | HPT | 179.8° | 180.0° |
| HPR | CPR | NPS | CPT | 179.7° | 179.9° |
| NPS | CPT | CPQ | HPT | 180.0° | 179.8° |
| NPS | CPT | CPQ | CPP | 0.0° | 0.4° |
| NPS | CPT | CPQ | HPQ | 180.0° | 180.0° |
| CPT | CPQ | CPP | HPQ | 180.0° | 179.5° |
| CPT | CPQ | CPP | CPM | 179.5° | 179.8° |
| HPT | CPT | CPQ | CPP | 180.0° | 179.8° |
| HPT | CPT | CPQ | HPQ | 0.0° | 0.2° |
| CPQ | CPP | CPM | NPJ | 179.6° | 140.4° |
| CPQ | CPP | CPM | NPN | 0.4° | 39.9° |
| HPQ | CPQ | CPP | CPM | 0.6° | 0.2° |
| CPP | CPM | NPJ | NPN | 180.0° | 179.8° |
| CPP | CPM | NPJ | CPK | 179.7° | 179.8° |
| CPP | CPM | NPN | NPL | 179.8° | 180.0° |
| CPP | CPM | NPN | HPN | 0.3° | 0.1° |
| NPJ | CPM | NPN | NPL | 0.2° | 0.3° |
| NPJ | CPM | NPN | HPN | 179.8° | 179.7° |
| CPM | NPJ | CPK | NPL | 0.2° | 0.4° |
| CPM | NPJ | CPK | CPH | 179.7° | 179.9° |
| NPN | CPM | NPJ | CPK | 0.2° | 0.4° |
| CPM | NPN | NPL | HPN | 180.0° | 179.9° |
| CPM | NPN | NPL | CPK | 0.0° | 0.0° |
| NPJ | CPK | NPL | NPN | 0.1° | 0.2° |
| NPJ | CPK | NPL | CPH | 179.9° | 179.7° |
| NPJ | CPK | CPH | CPG | 20.2° | 179.7° |
| NPJ | CPK | CPH | CPI | 159.8° | 0.4° |
| NPN | NPL | CPK | CPH | 179.8° | 179.9° |
| HPN | NPN | NPL | CPK | 179.9° | 179.9° |
| NPL | CPK | CPH | CPG | 160.0° | 0.1° |
| NPL | CPK | CPH | CPI | 20.0° | 180.0° |
| CPK | CPH | CPG | CPI | 180.0° | 179.9° |
| CPK | CPH | CPG | CPD | 179.9° | 180.0° |
| CPK | CPH | CPG | HPG | 0.1° | 0.1° |
| CPK | CPH | CPI | CPF | 179.9° | 179.9° |
| CPK | CPH | CPI | HPI | 0.1° | 0.0° |
| CPH | CPG | CPD | HPG | 180.0° | 180.0° |
| CPG | CPH | CPI | CPF | 0.0° | 0.0° |
| CPG | CPH | CPI | HPI | 180.0° | 179.9° |
| CPH | CPG | CPD | NPE | 0.0° | 0.2° |
| CPH | CPG | CPD | CPB | 179.8° | 180.0° |
| CPI | CPH | CPG | CPD | 0.0° | 0.1° |
| CPI | CPH | CPG | HPG | 179.9° | 179.9° |
| CPH | CPI | CPF | HPI | 180.0° | 180.0° |
| CPH | CPI | CPF | NPE | 0.0° | 0.3° |
| CPH | CPI | CPF | HPF | 180.0° | 180.0° |
| CPG | CPD | NPE | CPF | 0.1° | 0.6° |
| CPG | CPD | NPE | CPB | 179.8° | 179.8° |
| CPG | CPD | CPB | NPC | 141.9° | 31.4° |
| HPG | CPG | CPD | NPE | 180.0° | 179.8° |
| HPG | CPG | CPD | CPB | 0.2° | 0.0° |
| CPI | CPF | NPE | HPF | 180.0° | 179.6° |
| CPI | CPF | NPE | CPD | 0.1° | 0.6° |
| HPI | CPI | CPF | NPE | 180.0° | 179.7° |
| HPI | CPI | CPF | HPF | 0.0° | 0.1° |
| CPF | NPE | CPD | CPB | 179.9° | 179.6° |
| HPF | CPF | NPE | CPD | 180.0° | 179.7° |
| NPE | CPD | CPB | NPC | 37.9° | 148.3° |
