1V1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | CAK | sing | 1.74Å | 1.74Å | |
| CAK | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAG | doub | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAG | sing | 1.40Å | 1.41Å | Aromatic |
| CAG | CAA | sing | 1.48Å | 1.42Å | |
| CAA | OAC | sing | 1.34Å | 1.37Å | |
| CAA | CAB | doub | 1.36Å | 1.36Å | |
| OAC | CAF | sing | 1.35Å | 1.36Å | |
| CAB | CAD | sing | 1.41Å | 1.39Å | |
| CAF | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CAF | CAE | sing | 1.40Å | 1.40Å | Aromatic |
| CAP | CAR | sing | 1.38Å | 1.41Å | Aromatic |
| CAD | CAE | sing | 1.48Å | 1.40Å | |
| CAD | OAH | doub | 1.22Å | 1.23Å | |
| CAE | CAO | doub | 1.39Å | 1.37Å | Aromatic |
| CAR | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| CAO | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAO | H2 | sing | 1.08Å | 1.08Å | |
| CAQ | H3 | sing | 1.08Å | 1.08Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| CAP | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | CAK | CAM | 118.9° | 119.8° |
| CL1 | CAK | CAL | 120.4° | 119.9° |
| CAM | CAK | CAL | 120.7° | 120.3° |
| CAK | CAM | CAI | 119.9° | 120.1° |
| CAK | CAM | H7 | 120.0° | 120.0° |
| CAK | CAL | CAJ | 119.5° | 120.2° |
| CAK | CAL | H8 | 120.2° | 119.9° |
| CAM | CAI | CAG | 120.4° | 119.9° |
| CAM | CAI | H6 | 119.8° | 120.1° |
| CAI | CAM | H7 | 120.0° | 119.9° |
| CAL | CAJ | CAG | 120.6° | 119.9° |
| CAJ | CAL | H8 | 120.2° | 120.0° |
| CAL | CAJ | H9 | 119.7° | 120.1° |
| CAI | CAG | CAJ | 118.8° | 119.7° |
| CAI | CAG | CAA | 118.2° | 120.1° |
| CAG | CAI | H6 | 119.8° | 120.1° |
| CAJ | CAG | CAA | 123.0° | 120.2° |
| CAG | CAJ | H9 | 119.7° | 120.0° |
| CAG | CAA | OAC | 115.9° | 118.8° |
| CAG | CAA | CAB | 124.4° | 118.7° |
| OAC | CAA | CAB | 119.1° | 122.5° |
| CAA | OAC | CAF | 120.6° | 122.4° |
| CAA | CAB | CAD | 121.4° | 119.5° |
| CAA | CAB | H1 | 119.3° | 120.2° |
| OAC | CAF | CAP | 117.0° | 120.9° |
| OAC | CAF | CAE | 120.4° | 119.8° |
| CAB | CAD | CAE | 118.7° | 117.4° |
| CAB | CAD | OAH | 118.3° | 121.3° |
| CAD | CAB | H1 | 119.3° | 120.3° |
| CAP | CAF | CAE | 122.5° | 119.4° |
| CAF | CAP | CAR | 118.4° | 119.9° |
| CAF | CAP | H5 | 120.8° | 120.0° |
| CAF | CAE | CAD | 118.7° | 118.4° |
| CAF | CAE | CAO | 119.8° | 120.2° |
| CAP | CAR | CAQ | 118.8° | 120.7° |
| CAP | CAR | H4 | 120.6° | 119.6° |
| CAR | CAP | H5 | 120.8° | 120.1° |
| CAE | CAD | OAH | 122.8° | 121.3° |
| CAD | CAE | CAO | 121.4° | 121.4° |
| CAE | CAO | CAQ | 119.0° | 119.6° |
| CAE | CAO | H2 | 120.5° | 120.2° |
| CAR | CAQ | CAO | 121.5° | 120.3° |
| CAR | CAQ | H3 | 119.2° | 119.9° |
| CAQ | CAR | H4 | 120.6° | 119.6° |
| CAQ | CAO | H2 | 120.5° | 120.2° |
| CAO | CAQ | H3 | 119.3° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | CAK | CAM | CAL | 178.4° | 179.9° |
| CL1 | CAK | CAM | CAI | 179.8° | 180.0° |
| CL1 | CAK | CAL | CAJ | 178.9° | 179.7° |
| CL1 | CAK | CAM | H7 | 0.3° | 0.0° |
| CL1 | CAK | CAL | H8 | 1.1° | 0.1° |
| CAK | CAM | CAI | H7 | 180.0° | 180.0° |
| CAM | CAK | CAL | CAJ | 0.6° | 0.2° |
| CAK | CAM | CAI | CAG | 2.0° | 0.0° |
| CAK | CAM | CAI | H6 | 178.1° | 180.0° |
| CAM | CAK | CAL | H8 | 179.5° | 180.0° |
| CAL | CAK | CAM | CAI | 1.9° | 0.0° |
| CAK | CAL | CAJ | H8 | 180.0° | 179.8° |
| CAK | CAL | CAJ | CAG | 0.7° | 0.5° |
| CAL | CAK | CAM | H7 | 178.1° | 180.0° |
| CAK | CAL | CAJ | H9 | 179.4° | 180.0° |
| CAM | CAI | CAG | H6 | 180.0° | 179.9° |
| CAM | CAI | CAG | CAJ | 0.7° | 0.2° |
| CAM | CAI | CAG | CAA | 178.6° | 180.0° |
| CAL | CAJ | CAG | CAI | 0.6° | 0.5° |
| CAL | CAJ | CAG | H9 | 180.0° | 179.5° |
| CAL | CAJ | CAG | CAA | 179.9° | 179.8° |
| CAI | CAG | CAJ | CAA | 179.3° | 179.7° |
| CAI | CAG | CAA | OAC | 0.8° | 0.0° |
| CAI | CAG | CAA | CAB | 171.9° | 179.3° |
| CAG | CAI | CAM | H7 | 178.0° | 180.0° |
| CAI | CAG | CAJ | H9 | 179.4° | 180.0° |
| CAJ | CAG | CAA | OAC | 178.5° | 179.8° |
| CAJ | CAG | CAA | CAB | 7.5° | 0.9° |
| CAJ | CAG | CAI | H6 | 179.3° | 179.7° |
| CAG | CAJ | CAL | H8 | 179.3° | 179.7° |
| CAG | CAA | OAC | CAB | 171.5° | 179.3° |
| CAG | CAA | OAC | CAF | 178.3° | 180.0° |
| CAG | CAA | CAB | CAD | 178.3° | 179.9° |
| CAG | CAA | CAB | H1 | 1.7° | 0.4° |
| CAA | CAG | CAI | H6 | 1.3° | 0.0° |
| CAA | CAG | CAJ | H9 | 0.1° | 0.3° |
| OAC | CAA | CAB | CAD | 7.5° | 0.7° |
| CAA | OAC | CAF | CAP | 172.6° | 179.6° |
| CAA | OAC | CAF | CAE | 4.4° | 0.4° |
| OAC | CAA | CAB | H1 | 172.5° | 179.7° |
| CAB | CAA | OAC | CAF | 10.2° | 0.7° |
| CAA | CAB | CAD | H1 | 180.0° | 179.7° |
| CAA | CAB | CAD | CAE | 0.9° | 0.3° |
| CAA | CAB | CAD | OAH | 174.2° | 179.6° |
| OAC | CAF | CAP | CAE | 176.9° | 180.0° |
| OAC | CAF | CAP | CAR | 177.5° | 180.0° |
| OAC | CAF | CAE | CAD | 4.1° | 0.1° |
| OAC | CAF | CAE | CAO | 177.0° | 180.0° |
| OAC | CAF | CAP | H5 | 2.5° | 0.0° |
| CAB | CAD | CAE | CAF | 6.7° | 0.0° |
| CAB | CAD | CAE | OAH | 174.9° | 179.9° |
| CAB | CAD | CAE | CAO | 174.5° | 180.0° |
| CAF | CAP | CAR | H5 | 180.0° | 180.0° |
| CAP | CAF | CAE | CAD | 179.1° | 180.0° |
| CAP | CAF | CAE | CAO | 0.2° | 0.0° |
| CAF | CAP | CAR | CAQ | 0.3° | 0.0° |
| CAF | CAP | CAR | H4 | 179.7° | 180.0° |
| CAE | CAF | CAP | CAR | 0.6° | 0.0° |
| CAF | CAE | CAD | CAO | 178.8° | 179.9° |
| CAF | CAE | CAD | OAH | 168.2° | 179.9° |
| CAF | CAE | CAO | CAQ | 0.4° | 0.0° |
| CAF | CAE | CAO | H2 | 179.6° | 180.0° |
| CAE | CAF | CAP | H5 | 179.4° | 179.9° |
| CAP | CAR | CAQ | H4 | 180.0° | 180.0° |
| CAP | CAR | CAQ | CAO | 0.3° | 0.0° |
| CAP | CAR | CAQ | H3 | 179.7° | 180.0° |
| CAD | CAE | CAO | CAQ | 178.4° | 179.9° |
| CAE | CAD | CAB | H1 | 179.1° | 180.0° |
| CAD | CAE | CAO | H2 | 1.6° | 0.0° |
| OAH | CAD | CAE | CAO | 10.6° | 0.0° |
| OAH | CAD | CAB | H1 | 5.8° | 0.1° |
| CAE | CAO | CAQ | CAR | 0.6° | 0.0° |
| CAE | CAO | CAQ | H2 | 180.0° | 180.0° |
| CAE | CAO | CAQ | H3 | 179.4° | 180.0° |
| CAR | CAQ | CAO | H3 | 180.0° | 180.0° |
| CAR | CAQ | CAO | H2 | 179.4° | 180.0° |
| CAQ | CAR | CAP | H5 | 179.6° | 180.0° |
| CAO | CAQ | CAR | H4 | 179.7° | 179.9° |
| H2 | CAO | CAQ | H3 | 0.6° | 0.0° |
| H3 | CAQ | CAR | H4 | 0.3° | 0.0° |
| H4 | CAR | CAP | H5 | 0.3° | 0.0° |
| H6 | CAI | CAM | H7 | 1.9° | 0.0° |
| H8 | CAL | CAJ | H9 | 0.7° | 0.2° |
