4P8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAB | sing | 1.51Å | 1.40Å | |
| CAH | CAI | sing | 1.51Å | 1.40Å | |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CLG | sing | 1.74Å | 1.74Å | |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAO | sing | 1.47Å | 1.39Å | |
| CAM | CAN | doub | 1.40Å | 1.38Å | Aromatic |
| CAL | CAN | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | NAR | sing | 1.48Å | 1.32Å | |
| CAO | OAP | doub | 1.21Å | 1.23Å | |
| OAT | NAR | sing | 1.22Å | 1.34Å | |
| CAN | OAQ | sing | 1.36Å | 1.36Å | |
| NAR | OAS | doub | 1.22Å | 1.37Å | |
| CAO | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| OAQ | H3 | sing | 0.97Å | 0.95Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAD | H9 | sing | 1.08Å | 1.08Å | |
| CAC | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAH | CAI | 110.1° | 109.5° |
| CAH | CAB | CAC | 119.9° | 120.0° |
| CAH | CAB | CAA | 120.5° | 120.0° |
| CAB | CAH | H5 | 109.3° | 109.5° |
| CAB | CAH | H6 | 109.3° | 109.5° |
| CAH | CAI | CAK | 120.3° | 119.8° |
| CAH | CAI | CAJ | 119.8° | 119.8° |
| CAI | CAH | H5 | 109.3° | 109.5° |
| CAI | CAH | H6 | 109.3° | 109.5° |
| CAB | CAC | CAD | 120.7° | 120.0° |
| CAC | CAB | CAA | 119.6° | 120.0° |
| CAB | CAC | H10 | 119.6° | 120.0° |
| CAC | CAD | CAE | 119.5° | 120.0° |
| CAC | CAD | H9 | 120.3° | 120.0° |
| CAD | CAC | H10 | 119.7° | 120.0° |
| CAB | CAA | CLG | 120.9° | 120.1° |
| CAB | CAA | CAF | 119.8° | 120.0° |
| CAD | CAE | CAF | 120.0° | 120.0° |
| CAD | CAE | H8 | 120.0° | 120.0° |
| CAE | CAD | H9 | 120.2° | 120.0° |
| CLG | CAA | CAF | 119.4° | 120.0° |
| CAA | CAF | CAE | 120.4° | 120.0° |
| CAA | CAF | H7 | 119.8° | 120.0° |
| CAE | CAF | H7 | 119.8° | 120.0° |
| CAF | CAE | H8 | 120.0° | 120.0° |
| CAK | CAI | CAJ | 119.9° | 120.4° |
| CAI | CAK | CAM | 120.8° | 119.9° |
| CAI | CAK | H2 | 119.6° | 120.0° |
| CAI | CAJ | CAL | 119.3° | 120.4° |
| CAI | CAJ | H4 | 120.4° | 119.8° |
| CAK | CAM | CAO | 120.9° | 120.3° |
| CAK | CAM | CAN | 118.3° | 119.5° |
| CAM | CAK | H2 | 119.6° | 120.1° |
| CAJ | CAL | CAN | 120.3° | 120.1° |
| CAJ | CAL | NAR | 122.2° | 120.0° |
| CAL | CAJ | H4 | 120.3° | 119.7° |
| CAO | CAM | CAN | 120.9° | 120.2° |
| CAM | CAO | OAP | 120.9° | 120.0° |
| CAM | CAO | H1 | 119.6° | 120.0° |
| CAM | CAN | CAL | 121.4° | 119.7° |
| CAM | CAN | OAQ | 119.1° | 120.1° |
| CAN | CAL | NAR | 117.5° | 119.9° |
| CAL | CAN | OAQ | 119.4° | 120.2° |
| CAL | NAR | OAT | 117.9° | 120.0° |
| CAL | NAR | OAS | 119.1° | 120.0° |
| OAP | CAO | H1 | 119.5° | 120.0° |
| OAT | NAR | OAS | 123.0° | 120.0° |
| CAN | OAQ | H3 | 109.5° | 114.0° |
| H5 | CAH | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAH | CAI | H5 | 120.1° | 120.0° |
| CAB | CAH | CAI | H6 | 120.1° | 120.0° |
| CAH | CAB | CAC | CAA | 179.9° | 179.7° |
| CAH | CAB | CAC | CAD | 180.0° | 179.7° |
| CAH | CAB | CAA | CLG | 0.0° | 0.0° |
| CAH | CAB | CAA | CAF | 180.0° | 180.0° |
| CAB | CAH | CAI | CAK | 113.5° | 90.0° |
| CAB | CAH | CAI | CAJ | 66.6° | 90.0° |
| CAB | CAH | H5 | H6 | 119.7° | 120.0° |
| CAH | CAB | CAC | H10 | 0.0° | 0.1° |
| CAI | CAH | CAB | CAC | 98.1° | 95.3° |
| CAI | CAH | CAB | CAA | 82.0° | 85.0° |
| CAH | CAI | CAK | CAJ | 179.9° | 180.0° |
| CAH | CAI | CAK | CAM | 179.9° | 180.0° |
| CAH | CAI | CAJ | CAL | 179.8° | 179.7° |
| CAH | CAI | CAK | H2 | 0.1° | 0.0° |
| CAH | CAI | CAJ | H4 | 0.2° | 0.0° |
| CAI | CAH | H5 | H6 | 119.7° | 120.0° |
| CAB | CAC | CAD | H10 | 180.0° | 179.6° |
| CAB | CAC | CAD | CAE | 0.0° | 0.7° |
| CAC | CAB | CAA | CLG | 179.9° | 179.7° |
| CAC | CAB | CAA | CAF | 0.1° | 0.3° |
| CAC | CAB | CAH | H5 | 22.0° | 144.6° |
| CAC | CAB | CAH | H6 | 141.8° | 24.7° |
| CAB | CAC | CAD | H9 | 180.0° | 179.7° |
| CAD | CAC | CAB | CAA | 0.1° | 0.6° |
| CAC | CAD | CAE | H9 | 180.0° | 179.6° |
| CAC | CAD | CAE | CAF | 0.0° | 0.4° |
| CAC | CAD | CAE | H8 | 180.0° | 179.7° |
| CAB | CAA | CLG | CAF | 180.0° | 180.0° |
| CAB | CAA | CAF | CAE | 0.1° | 0.0° |
| CAA | CAB | CAH | H5 | 157.9° | 35.0° |
| CAA | CAB | CAH | H6 | 38.1° | 155.0° |
| CAB | CAA | CAF | H7 | 179.9° | 180.0° |
| CAA | CAB | CAC | H10 | 179.9° | 179.7° |
| CAD | CAE | CAF | CAA | 0.0° | 0.0° |
| CAD | CAE | CAF | H8 | 180.0° | 179.9° |
| CAD | CAE | CAF | H7 | 179.9° | 179.9° |
| CAE | CAD | CAC | H10 | 179.9° | 179.7° |
| CLG | CAA | CAF | CAE | 179.9° | 180.0° |
| CLG | CAA | CAF | H7 | 0.1° | 0.1° |
| CAA | CAF | CAE | H7 | 180.0° | 180.0° |
| CAA | CAF | CAE | H8 | 180.0° | 180.0° |
| CAF | CAE | CAD | H9 | 180.0° | 180.0° |
| CAI | CAK | CAM | H2 | 180.0° | 180.0° |
| CAK | CAI | CAJ | CAL | 0.3° | 0.3° |
| CAI | CAK | CAM | CAO | 179.9° | 180.0° |
| CAI | CAK | CAM | CAN | 0.2° | 0.2° |
| CAK | CAI | CAJ | H4 | 179.7° | 180.0° |
| CAK | CAI | CAH | H5 | 126.4° | 150.0° |
| CAK | CAI | CAH | H6 | 6.6° | 30.0° |
| CAJ | CAI | CAK | CAM | 0.3° | 0.1° |
| CAI | CAJ | CAL | H4 | 180.0° | 179.7° |
| CAI | CAJ | CAL | CAN | 0.3° | 0.3° |
| CAI | CAJ | CAL | NAR | 180.0° | 179.7° |
| CAJ | CAI | CAK | H2 | 179.8° | 180.0° |
| CAJ | CAI | CAH | H5 | 53.5° | 30.0° |
| CAJ | CAI | CAH | H6 | 173.3° | 150.0° |
| CAK | CAM | CAO | CAN | 179.8° | 179.8° |
| CAK | CAM | CAN | CAL | 0.3° | 0.2° |
| CAK | CAM | CAO | OAP | 179.9° | 179.7° |
| CAK | CAM | CAN | OAQ | 180.0° | 179.7° |
| CAK | CAM | CAO | H1 | 0.1° | 0.6° |
| CAJ | CAL | CAN | CAM | 0.3° | 0.0° |
| CAJ | CAL | CAN | NAR | 179.6° | 180.0° |
| CAJ | CAL | NAR | OAT | 0.8° | 180.0° |
| CAJ | CAL | CAN | OAQ | 179.9° | 180.0° |
| CAJ | CAL | NAR | OAS | 179.9° | 0.0° |
| CAO | CAM | CAN | CAL | 179.9° | 180.0° |
| CAM | CAO | OAP | H1 | 180.0° | 179.7° |
| CAO | CAM | CAN | OAQ | 0.1° | 0.0° |
| CAO | CAM | CAK | H2 | 0.1° | 0.0° |
| CAM | CAN | CAL | OAQ | 179.7° | 180.0° |
| CAM | CAN | CAL | NAR | 180.0° | 179.9° |
| CAN | CAM | CAO | OAP | 0.1° | 0.0° |
| CAN | CAM | CAO | H1 | 179.9° | 179.7° |
| CAN | CAM | CAK | H2 | 179.8° | 179.8° |
| CAM | CAN | OAQ | H3 | 179.9° | 90.0° |
| CAN | CAL | NAR | OAT | 179.6° | 0.1° |
| CAN | CAL | NAR | OAS | 0.3° | 180.0° |
| CAL | CAN | OAQ | H3 | 0.2° | 90.0° |
| CAN | CAL | CAJ | H4 | 179.7° | 180.0° |
| CAL | NAR | OAT | OAS | 179.3° | 180.0° |
| NAR | CAL | CAN | OAQ | 0.3° | 0.0° |
| NAR | CAL | CAJ | H4 | 0.1° | 0.0° |
| H7 | CAF | CAE | H8 | 0.0° | 0.0° |
| H8 | CAE | CAD | H9 | 0.0° | 0.1° |
| H9 | CAD | CAC | H10 | 0.0° | 0.1° |
