1V4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAH | doub | 1.40Å | 1.40Å | Aromatic |
| CAO | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAA | sing | 1.48Å | 1.42Å | |
| CAA | OAE | sing | 1.34Å | 1.38Å | |
| CAA | CAB | doub | 1.36Å | 1.39Å | |
| OAE | CAF | sing | 1.35Å | 1.35Å | |
| CAB | CAD | sing | 1.41Å | 1.39Å | |
| CAF | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAC | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.48Å | 1.42Å | |
| CAD | OAI | doub | 1.22Å | 1.25Å | |
| CAC | CAG | doub | 1.39Å | 1.37Å | Aromatic |
| CAL | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAK | F1 | sing | 1.35Å | 1.35Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAR | H7 | sing | 1.08Å | 1.08Å | |
| CAQ | 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) |
| CAP | CAR | CAQ | 118.1° | 120.3° |
| CAR | CAP | CAN | 121.5° | 120.2° |
| CAR | CAP | H6 | 119.2° | 119.9° |
| CAP | CAR | H7 | 120.9° | 119.9° |
| CAR | CAQ | CAO | 120.5° | 120.2° |
| CAQ | CAR | H7 | 120.9° | 119.8° |
| CAR | CAQ | H8 | 119.8° | 120.0° |
| CAP | CAN | CAH | 120.4° | 119.8° |
| CAP | CAN | H5 | 119.8° | 120.1° |
| CAN | CAP | H6 | 119.2° | 119.9° |
| CAQ | CAO | CAH | 122.3° | 119.8° |
| CAO | CAQ | H8 | 119.7° | 119.9° |
| CAQ | CAO | H9 | 118.9° | 120.1° |
| CAN | CAH | CAO | 117.1° | 119.7° |
| CAN | CAH | CAA | 119.1° | 120.1° |
| CAH | CAN | H5 | 119.8° | 120.1° |
| CAO | CAH | CAA | 123.7° | 120.1° |
| CAH | CAO | H9 | 118.8° | 120.1° |
| CAH | CAA | OAE | 115.1° | 118.7° |
| CAH | CAA | CAB | 125.2° | 118.7° |
| OAE | CAA | CAB | 119.6° | 122.6° |
| CAA | OAE | CAF | 121.3° | 122.3° |
| CAA | CAB | CAD | 120.5° | 119.6° |
| CAA | CAB | H1 | 119.7° | 120.3° |
| OAE | CAF | CAJ | 117.9° | 120.9° |
| OAE | CAF | CAC | 119.6° | 119.8° |
| CAB | CAD | CAC | 117.7° | 117.3° |
| CAB | CAD | OAI | 118.6° | 121.4° |
| CAD | CAB | H1 | 119.7° | 120.2° |
| CAJ | CAF | CAC | 122.4° | 119.3° |
| CAF | CAJ | CAL | 121.0° | 120.0° |
| CAF | CAJ | H4 | 119.5° | 119.9° |
| CAF | CAC | CAD | 120.8° | 118.5° |
| CAF | CAC | CAG | 117.1° | 120.2° |
| CAJ | CAL | CAK | 116.5° | 120.7° |
| CAJ | CAL | H3 | 121.8° | 119.7° |
| CAL | CAJ | H4 | 119.5° | 120.1° |
| CAC | CAD | OAI | 123.7° | 121.3° |
| CAD | CAC | CAG | 122.1° | 121.3° |
| CAC | CAG | CAK | 121.0° | 119.5° |
| CAC | CAG | H2 | 119.5° | 120.2° |
| CAL | CAK | CAG | 122.0° | 120.2° |
| CAL | CAK | F1 | 117.8° | 119.9° |
| CAK | CAL | H3 | 121.7° | 119.6° |
| CAG | CAK | F1 | 120.2° | 119.9° |
| CAK | CAG | H2 | 119.5° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAR | CAQ | H7 | 180.0° | 179.9° |
| CAR | CAP | CAN | H6 | 180.0° | 180.0° |
| CAP | CAR | CAQ | CAO | 0.2° | 0.3° |
| CAR | CAP | CAN | CAH | 1.0° | 0.0° |
| CAR | CAP | CAN | H5 | 179.1° | 180.0° |
| CAP | CAR | CAQ | H8 | 179.8° | 179.9° |
| CAQ | CAR | CAP | CAN | 0.9° | 0.0° |
| CAR | CAQ | CAO | H8 | 180.0° | 179.8° |
| CAR | CAQ | CAO | CAH | 0.5° | 0.6° |
| CAQ | CAR | CAP | H6 | 179.1° | 180.0° |
| CAR | CAQ | CAO | H9 | 179.5° | 180.0° |
| CAP | CAN | CAH | H5 | 180.0° | 180.0° |
| CAP | CAN | CAH | CAO | 0.3° | 0.3° |
| CAP | CAN | CAH | CAA | 179.0° | 180.0° |
| CAN | CAP | CAR | H7 | 179.1° | 179.9° |
| CAQ | CAO | CAH | CAN | 0.4° | 0.6° |
| CAQ | CAO | CAH | H9 | 180.0° | 179.4° |
| CAQ | CAO | CAH | CAA | 178.3° | 179.8° |
| CAO | CAQ | CAR | H7 | 179.8° | 179.8° |
| CAN | CAH | CAO | CAA | 178.7° | 179.7° |
| CAN | CAH | CAA | OAE | 0.7° | 0.0° |
| CAN | CAH | CAA | CAB | 179.1° | 179.4° |
| CAH | CAN | CAP | H6 | 179.1° | 180.0° |
| CAN | CAH | CAO | H9 | 179.6° | 180.0° |
| CAO | CAH | CAA | OAE | 179.3° | 179.7° |
| CAO | CAH | CAA | CAB | 2.2° | 0.9° |
| CAO | CAH | CAN | H5 | 179.7° | 179.7° |
| CAH | CAO | CAQ | H8 | 179.5° | 179.7° |
| CAH | CAA | OAE | CAB | 178.6° | 179.3° |
| CAH | CAA | OAE | CAF | 174.7° | 180.0° |
| CAH | CAA | CAB | CAD | 178.5° | 179.9° |
| CAH | CAA | CAB | H1 | 1.5° | 0.4° |
| CAA | CAH | CAN | H5 | 1.0° | 0.0° |
| CAA | CAH | CAO | H9 | 1.7° | 0.4° |
| OAE | CAA | CAB | CAD | 3.0° | 0.6° |
| CAA | OAE | CAF | CAJ | 173.9° | 179.6° |
| CAA | OAE | CAF | CAC | 4.5° | 0.4° |
| OAE | CAA | CAB | H1 | 177.0° | 179.7° |
| CAB | CAA | OAE | CAF | 6.8° | 0.7° |
| CAA | CAB | CAD | H1 | 180.0° | 179.7° |
| CAA | CAB | CAD | CAC | 2.7° | 0.3° |
| CAA | CAB | CAD | OAI | 179.3° | 179.7° |
| OAE | CAF | CAJ | CAC | 178.3° | 179.9° |
| OAE | CAF | CAJ | CAL | 177.3° | 179.9° |
| OAE | CAF | CAC | CAD | 1.5° | 0.1° |
| OAE | CAF | CAC | CAG | 177.0° | 180.0° |
| OAE | CAF | CAJ | H4 | 2.7° | 0.1° |
| CAB | CAD | CAC | CAF | 5.0° | 0.0° |
| CAB | CAD | CAC | OAI | 177.9° | 179.9° |
| CAB | CAD | CAC | CAG | 173.4° | 180.0° |
| CAF | CAJ | CAL | H4 | 180.0° | 180.0° |
| CAJ | CAF | CAC | CAD | 179.8° | 180.0° |
| CAJ | CAF | CAC | CAG | 1.3° | 0.0° |
| CAF | CAJ | CAL | CAK | 0.4° | 0.0° |
| CAF | CAJ | CAL | H3 | 179.6° | 180.0° |
| CAC | CAF | CAJ | CAL | 1.0° | 0.0° |
| CAF | CAC | CAD | CAG | 178.4° | 179.9° |
| CAF | CAC | CAD | OAI | 177.1° | 179.9° |
| CAF | CAC | CAG | CAK | 1.0° | 0.0° |
| CAF | CAC | CAG | H2 | 179.0° | 180.0° |
| CAC | CAF | CAJ | H4 | 179.0° | 180.0° |
| CAJ | CAL | CAK | H3 | 180.0° | 179.9° |
| CAJ | CAL | CAK | CAG | 0.2° | 0.0° |
| CAJ | CAL | CAK | F1 | 178.5° | 180.0° |
| CAD | CAC | CAG | CAK | 179.4° | 180.0° |
| CAC | CAD | CAB | H1 | 177.3° | 180.0° |
| CAD | CAC | CAG | H2 | 0.6° | 0.0° |
| OAI | CAD | CAC | CAG | 4.5° | 0.0° |
| OAI | CAD | CAB | H1 | 0.7° | 0.1° |
| CAC | CAG | CAK | CAL | 0.5° | 0.0° |
| CAC | CAG | CAK | H2 | 180.0° | 180.0° |
| CAC | CAG | CAK | F1 | 178.7° | 180.0° |
| CAL | CAK | CAG | F1 | 178.3° | 180.0° |
| CAL | CAK | CAG | H2 | 179.5° | 180.0° |
| CAK | CAL | CAJ | H4 | 179.6° | 180.0° |
| CAG | CAK | CAL | H3 | 179.8° | 180.0° |
| F1 | CAK | CAG | H2 | 1.3° | 0.0° |
| F1 | CAK | CAL | H3 | 1.5° | 0.0° |
| H3 | CAL | CAJ | H4 | 0.4° | 0.1° |
| H5 | CAN | CAP | H6 | 0.9° | 0.0° |
| H6 | CAP | CAR | H7 | 0.9° | 0.1° |
| H7 | CAR | CAQ | H8 | 0.2° | 0.0° |
| H8 | CAQ | CAO | H9 | 0.5° | 0.3° |
