0FR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAC | CAB | sing | 1.36Å | 1.38Å | Aromatic |
| NAC | CAD | sing | 1.38Å | 1.37Å | Aromatic |
| CAB | CAA | doub | 1.37Å | 1.36Å | Aromatic |
| CAN | CAO | sing | 1.40Å | 1.32Å | Aromatic |
| CAN | CAM | doub | 1.35Å | 1.34Å | Aromatic |
| CAO | CAK | doub | 1.37Å | 1.32Å | Aromatic |
| CAD | CAI | doub | 1.39Å | 1.35Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.37Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAA | CAE | sing | 1.47Å | 1.37Å | Aromatic |
| CAA | CAJ | sing | 1.47Å | 1.37Å | |
| CAM | OAL | sing | 1.34Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.39Å | 1.33Å | Aromatic |
| CAH | CAG | doub | 1.39Å | 1.42Å | Aromatic |
| CAK | CAJ | sing | 1.47Å | 1.35Å | |
| CAK | OAL | sing | 1.35Å | 1.43Å | Aromatic |
| CAJ | OAP | doub | 1.22Å | 1.25Å | |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| NAC | H5 | sing | 0.97Å | 1.00Å | |
| CAB | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | NAC | CAD | 108.4° | 110.5° |
| NAC | CAB | CAA | 107.0° | 109.7° |
| CAB | NAC | H5 | 125.8° | 124.8° |
| NAC | CAB | H6 | 126.5° | 125.1° |
| NAC | CAD | CAI | 131.9° | 133.2° |
| NAC | CAD | CAE | 108.0° | 107.4° |
| CAD | NAC | H5 | 125.8° | 124.8° |
| CAB | CAA | CAE | 109.0° | 106.5° |
| CAB | CAA | CAJ | 125.3° | 126.7° |
| CAA | CAB | H6 | 126.5° | 125.2° |
| CAO | CAN | CAM | 111.5° | 107.1° |
| CAN | CAO | CAK | 107.3° | 106.8° |
| CAO | CAN | H8 | 124.3° | 126.5° |
| CAN | CAO | H9 | 126.3° | 126.6° |
| CAN | CAM | OAL | 108.1° | 108.8° |
| CAN | CAM | H7 | 125.9° | 125.6° |
| CAM | CAN | H8 | 124.2° | 126.4° |
| CAO | CAK | CAJ | 126.4° | 126.0° |
| CAO | CAK | OAL | 110.5° | 108.0° |
| CAK | CAO | H9 | 126.3° | 126.6° |
| CAI | CAD | CAE | 120.0° | 119.3° |
| CAD | CAI | CAH | 121.0° | 120.0° |
| CAD | CAI | H1 | 119.5° | 120.0° |
| CAD | CAE | CAA | 107.5° | 105.9° |
| CAD | CAE | CAF | 120.5° | 120.2° |
| CAI | CAH | CAG | 119.1° | 120.6° |
| CAH | CAI | H1 | 119.5° | 120.0° |
| CAI | CAH | H2 | 120.4° | 119.7° |
| CAE | CAA | CAJ | 125.6° | 126.8° |
| CAA | CAE | CAF | 132.0° | 134.0° |
| CAA | CAJ | CAK | 117.9° | 120.0° |
| CAA | CAJ | OAP | 123.4° | 120.0° |
| CAM | OAL | CAK | 102.5° | 109.4° |
| OAL | CAM | H7 | 126.0° | 125.6° |
| CAE | CAF | CAG | 123.7° | 119.6° |
| CAE | CAF | H4 | 118.2° | 120.2° |
| CAH | CAG | CAF | 115.7° | 120.3° |
| CAG | CAH | H2 | 120.4° | 119.7° |
| CAH | CAG | H3 | 122.2° | 119.8° |
| CAJ | CAK | OAL | 123.0° | 126.0° |
| CAK | CAJ | OAP | 118.7° | 120.0° |
| CAF | CAG | H3 | 122.2° | 119.9° |
| CAG | CAF | H4 | 118.1° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | NAC | CAD | H5 | 180.0° | 179.2° |
| NAC | CAB | CAA | H6 | 180.0° | 179.3° |
| CAB | NAC | CAD | CAI | 178.8° | 180.0° |
| CAB | NAC | CAD | CAE | 3.0° | 0.5° |
| NAC | CAB | CAA | CAE | 0.6° | 0.6° |
| NAC | CAB | CAA | CAJ | 177.5° | 180.0° |
| CAD | NAC | CAB | CAA | 2.2° | 0.7° |
| NAC | CAD | CAI | CAE | 175.3° | 179.4° |
| NAC | CAD | CAI | CAH | 176.2° | 180.0° |
| NAC | CAD | CAE | CAA | 2.6° | 0.1° |
| NAC | CAD | CAE | CAF | 179.6° | 179.9° |
| NAC | CAD | CAI | H1 | 3.8° | 0.3° |
| CAD | NAC | CAB | H6 | 177.8° | 179.9° |
| CAB | CAA | CAE | CAD | 1.2° | 0.3° |
| CAB | CAA | CAE | CAJ | 178.1° | 179.4° |
| CAB | CAA | CAE | CAF | 178.7° | 179.4° |
| CAB | CAA | CAJ | CAK | 3.3° | 0.0° |
| CAB | CAA | CAJ | OAP | 179.3° | 179.9° |
| CAA | CAB | NAC | H5 | 177.7° | 180.0° |
| CAO | CAN | CAM | H8 | 180.0° | 179.6° |
| CAN | CAO | CAK | H9 | 180.0° | 179.7° |
| CAO | CAN | CAM | OAL | 0.4° | 0.2° |
| CAN | CAO | CAK | CAJ | 179.4° | 179.8° |
| CAN | CAO | CAK | OAL | 2.2° | 0.3° |
| CAO | CAN | CAM | H7 | 179.6° | 179.8° |
| CAM | CAN | CAO | CAK | 1.6° | 0.3° |
| CAN | CAM | OAL | H7 | 180.0° | 179.9° |
| CAN | CAM | OAL | CAK | 0.9° | 0.0° |
| CAM | CAN | CAO | H9 | 178.4° | 179.9° |
| CAO | CAK | CAJ | CAA | 11.7° | 179.8° |
| CAO | CAK | OAL | CAM | 1.9° | 0.2° |
| CAO | CAK | CAJ | OAL | 176.9° | 179.8° |
| CAO | CAK | CAJ | OAP | 165.8° | 0.2° |
| CAK | CAO | CAN | H8 | 178.4° | 180.0° |
| CAD | CAI | CAH | H1 | 180.0° | 179.7° |
| CAI | CAD | CAE | CAA | 179.0° | 179.7° |
| CAI | CAD | CAE | CAF | 3.2° | 0.6° |
| CAD | CAI | CAH | CAG | 1.3° | 0.3° |
| CAD | CAI | CAH | H2 | 178.7° | 179.7° |
| CAI | CAD | NAC | H5 | 1.2° | 0.8° |
| CAE | CAD | CAI | CAH | 0.9° | 0.6° |
| CAD | CAE | CAA | CAF | 177.5° | 179.7° |
| CAD | CAE | CAA | CAJ | 179.3° | 179.7° |
| CAD | CAE | CAF | CAG | 3.4° | 0.2° |
| CAE | CAD | CAI | H1 | 179.2° | 179.7° |
| CAD | CAE | CAF | H4 | 176.6° | 179.7° |
| CAE | CAD | NAC | H5 | 177.0° | 179.7° |
| CAI | CAH | CAG | H2 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAF | 1.2° | 0.0° |
| CAI | CAH | CAG | H3 | 178.9° | 180.0° |
| CAE | CAA | CAJ | CAK | 174.5° | 179.2° |
| CAE | CAA | CAJ | OAP | 2.9° | 0.8° |
| CAA | CAE | CAF | CAG | 179.4° | 179.9° |
| CAA | CAE | CAF | H4 | 0.6° | 0.0° |
| CAE | CAA | CAB | H6 | 179.4° | 180.0° |
| CAJ | CAA | CAE | CAF | 3.2° | 0.1° |
| CAA | CAJ | CAK | OAP | 177.6° | 179.9° |
| CAA | CAJ | CAK | OAL | 165.2° | 0.0° |
| CAJ | CAA | CAB | H6 | 2.5° | 0.7° |
| CAM | OAL | CAK | CAJ | 179.2° | 180.0° |
| OAL | CAM | CAN | H8 | 179.6° | 179.8° |
| CAE | CAF | CAG | CAH | 1.2° | 0.1° |
| CAE | CAF | CAG | H4 | 180.0° | 180.0° |
| CAE | CAF | CAG | H3 | 178.8° | 180.0° |
| CAH | CAG | CAF | H3 | 180.0° | 180.0° |
| CAG | CAH | CAI | H1 | 178.7° | 180.0° |
| CAH | CAG | CAF | H4 | 178.8° | 180.0° |
| CAJ | CAK | CAO | H9 | 0.6° | 0.1° |
| OAL | CAK | CAJ | OAP | 17.3° | 180.0° |
| CAK | OAL | CAM | H7 | 179.1° | 180.0° |
| OAL | CAK | CAO | H9 | 177.8° | 180.0° |
| CAF | CAG | CAH | H2 | 178.9° | 180.0° |
| H1 | CAI | CAH | H2 | 1.3° | 0.0° |
| H2 | CAH | CAG | H3 | 1.1° | 0.0° |
| H3 | CAG | CAF | H4 | 1.2° | 0.0° |
| H5 | NAC | CAB | H6 | 2.2° | 0.7° |
| H7 | CAM | CAN | H8 | 0.4° | 0.2° |
| H8 | CAN | CAO | H9 | 1.7° | 0.3° |
