8YJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLA | CAM | sing | 1.74Å | 1.78Å | |
| CAM | CAL | doub | 1.39Å | 1.38Å | Aromatic |
| CAM | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAJ | sing | 1.40Å | 1.38Å | Aromatic |
| CAJ | CAI | sing | 1.47Å | 1.52Å | |
| CAI | OAS | doub | 1.21Å | 1.20Å | |
| CAI | CAH | sing | 1.51Å | 1.51Å | |
| SAG | CAF | sing | 1.76Å | 1.76Å | |
| SAG | CAH | sing | 1.81Å | 1.82Å | |
| CAE | CAD | doub | 1.38Å | 1.36Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.38Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.38Å | Aromatic |
| CAF | CAA | doub | 1.40Å | 1.40Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.37Å | Aromatic |
| CAA | CAB | sing | 1.40Å | 1.38Å | Aromatic |
| CAA | CAP | sing | 1.47Å | 1.49Å | |
| OAR | CAP | doub | 1.22Å | 1.26Å | |
| CAP | OAQ | sing | 1.35Å | 1.25Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAN | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| OAQ | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLA | CAM | CAL | 119.5° | 119.8° |
| CLA | CAM | CAN | 119.7° | 119.9° |
| CAL | CAM | CAN | 120.8° | 120.3° |
| CAM | CAL | CAK | 118.6° | 120.1° |
| CAM | CAL | H8 | 120.7° | 119.9° |
| CAM | CAN | CAO | 120.3° | 120.2° |
| CAM | CAN | H9 | 119.8° | 119.9° |
| CAL | CAK | CAJ | 121.0° | 119.9° |
| CAL | CAK | H7 | 119.5° | 120.0° |
| CAK | CAL | H8 | 120.7° | 120.0° |
| CAN | CAO | CAJ | 119.5° | 119.8° |
| CAO | CAN | H9 | 119.9° | 119.9° |
| CAN | CAO | H10 | 120.3° | 120.1° |
| CAK | CAJ | CAO | 119.8° | 119.7° |
| CAK | CAJ | CAI | 121.1° | 120.2° |
| CAJ | CAK | H7 | 119.5° | 120.1° |
| CAO | CAJ | CAI | 119.0° | 120.1° |
| CAJ | CAO | H10 | 120.3° | 120.1° |
| CAJ | CAI | OAS | 122.1° | 119.9° |
| CAJ | CAI | CAH | 117.4° | 120.0° |
| OAS | CAI | CAH | 120.5° | 120.0° |
| CAI | CAH | SAG | 104.4° | 109.5° |
| CAI | CAH | H5 | 110.7° | 109.5° |
| CAI | CAH | H6 | 110.7° | 109.5° |
| CAF | SAG | CAH | 92.3° | 100.0° |
| SAG | CAF | CAE | 115.5° | 120.2° |
| SAG | CAF | CAA | 124.3° | 120.2° |
| SAG | CAH | H5 | 110.7° | 109.5° |
| SAG | CAH | H6 | 110.7° | 109.4° |
| CAD | CAE | CAF | 119.8° | 120.1° |
| CAE | CAD | CAC | 119.9° | 120.4° |
| CAE | CAD | H3 | 120.1° | 119.8° |
| CAD | CAE | H4 | 120.1° | 119.9° |
| CAE | CAF | CAA | 120.0° | 119.6° |
| CAF | CAE | H4 | 120.1° | 120.0° |
| CAD | CAC | CAB | 121.6° | 120.4° |
| CAD | CAC | H2 | 119.2° | 119.8° |
| CAC | CAD | H3 | 120.1° | 119.7° |
| CAF | CAA | CAB | 120.0° | 119.6° |
| CAF | CAA | CAP | 121.6° | 120.2° |
| CAC | CAB | CAA | 118.6° | 119.9° |
| CAC | CAB | H1 | 120.7° | 120.0° |
| CAB | CAC | H2 | 119.2° | 119.8° |
| CAB | CAA | CAP | 118.4° | 120.2° |
| CAA | CAB | H1 | 120.7° | 120.0° |
| CAA | CAP | OAR | 118.4° | 120.0° |
| CAA | CAP | OAQ | 118.9° | 120.0° |
| OAR | CAP | OAQ | 122.6° | 120.0° |
| CAP | OAQ | H11 | 109.5° | 117.0° |
| H5 | CAH | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLA | CAM | CAL | CAN | 179.4° | 180.0° |
| CLA | CAM | CAL | CAK | 179.0° | 180.0° |
| CLA | CAM | CAN | CAO | 179.5° | 179.7° |
| CLA | CAM | CAL | H8 | 1.0° | 0.0° |
| CLA | CAM | CAN | H9 | 0.5° | 0.0° |
| CAM | CAL | CAK | H8 | 180.0° | 179.9° |
| CAL | CAM | CAN | CAO | 0.1° | 0.3° |
| CAM | CAL | CAK | CAJ | 2.2° | 0.0° |
| CAM | CAL | CAK | H7 | 177.8° | 180.0° |
| CAL | CAM | CAN | H9 | 179.9° | 180.0° |
| CAN | CAM | CAL | CAK | 0.4° | 0.0° |
| CAM | CAN | CAO | H9 | 180.0° | 179.7° |
| CAM | CAN | CAO | CAJ | 1.2° | 0.6° |
| CAN | CAM | CAL | H8 | 179.6° | 179.9° |
| CAM | CAN | CAO | H10 | 178.8° | 179.9° |
| CAL | CAK | CAJ | H7 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAO | 3.5° | 0.3° |
| CAL | CAK | CAJ | CAI | 179.0° | 179.9° |
| CAN | CAO | CAJ | CAK | 2.9° | 0.6° |
| CAN | CAO | CAJ | H10 | 180.0° | 179.5° |
| CAN | CAO | CAJ | CAI | 178.6° | 179.8° |
| CAK | CAJ | CAO | CAI | 175.6° | 179.7° |
| CAK | CAJ | CAI | OAS | 81.3° | 0.1° |
| CAK | CAJ | CAI | CAH | 94.9° | 180.0° |
| CAJ | CAK | CAL | H8 | 177.8° | 179.9° |
| CAK | CAJ | CAO | H10 | 177.1° | 179.9° |
| CAO | CAJ | CAI | OAS | 103.1° | 179.7° |
| CAO | CAJ | CAI | CAH | 80.7° | 0.3° |
| CAO | CAJ | CAK | H7 | 176.5° | 179.8° |
| CAJ | CAO | CAN | H9 | 178.8° | 179.7° |
| CAJ | CAI | OAS | CAH | 176.1° | 179.9° |
| CAJ | CAI | CAH | SAG | 49.2° | 180.0° |
| CAJ | CAI | CAH | H5 | 70.1° | 60.0° |
| CAJ | CAI | CAH | H6 | 168.3° | 60.0° |
| CAI | CAJ | CAK | H7 | 1.0° | 0.1° |
| CAI | CAJ | CAO | H10 | 1.4° | 0.3° |
| OAS | CAI | CAH | SAG | 127.2° | 0.0° |
| OAS | CAI | CAH | H5 | 113.6° | 120.0° |
| OAS | CAI | CAH | H6 | 8.0° | 120.0° |
| CAI | CAH | SAG | CAF | 104.1° | 180.0° |
| CAI | CAH | SAG | H5 | 119.2° | 120.0° |
| CAI | CAH | SAG | H6 | 119.2° | 120.0° |
| CAI | CAH | H5 | H6 | 122.3° | 120.0° |
| SAG | CAF | CAE | CAD | 179.2° | 180.0° |
| SAG | CAF | CAE | CAA | 175.6° | 179.4° |
| SAG | CAF | CAA | CAB | 176.9° | 180.0° |
| SAG | CAF | CAA | CAP | 2.7° | 0.3° |
| SAG | CAF | CAE | H4 | 0.9° | 0.2° |
| CAF | SAG | CAH | H5 | 136.7° | 60.0° |
| CAF | SAG | CAH | H6 | 15.1° | 60.0° |
| CAH | SAG | CAF | CAE | 89.4° | 0.0° |
| CAH | SAG | CAF | CAA | 85.9° | 179.4° |
| SAG | CAH | H5 | H6 | 122.4° | 120.0° |
| CAD | CAE | CAF | H4 | 180.0° | 179.8° |
| CAE | CAD | CAC | H3 | 180.0° | 179.9° |
| CAD | CAE | CAF | CAA | 3.6° | 0.6° |
| CAE | CAD | CAC | CAB | 1.0° | 0.0° |
| CAE | CAD | CAC | H2 | 179.0° | 180.0° |
| CAF | CAE | CAD | CAC | 3.2° | 0.3° |
| CAE | CAF | CAA | CAB | 1.8° | 0.6° |
| CAE | CAF | CAA | CAP | 177.8° | 179.7° |
| CAF | CAE | CAD | H3 | 176.8° | 179.7° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.9° | 0.0° |
| CAD | CAC | CAB | H1 | 179.1° | 179.9° |
| CAC | CAD | CAE | H4 | 176.8° | 179.9° |
| CAF | CAA | CAB | CAC | 0.5° | 0.3° |
| CAF | CAA | CAB | CAP | 179.6° | 179.7° |
| CAF | CAA | CAP | OAR | 80.0° | 0.3° |
| CAF | CAA | CAP | OAQ | 102.9° | 179.7° |
| CAF | CAA | CAB | H1 | 179.5° | 179.8° |
| CAA | CAF | CAE | H4 | 176.4° | 179.6° |
| CAC | CAB | CAA | H1 | 180.0° | 179.9° |
| CAC | CAB | CAA | CAP | 180.0° | 180.0° |
| CAB | CAC | CAD | H3 | 179.0° | 180.0° |
| CAB | CAA | CAP | OAR | 100.5° | 180.0° |
| CAB | CAA | CAP | OAQ | 76.7° | 0.0° |
| CAA | CAB | CAC | H2 | 179.1° | 180.0° |
| CAA | CAP | OAR | OAQ | 177.0° | 180.0° |
| CAP | CAA | CAB | H1 | 0.0° | 0.1° |
| CAA | CAP | OAQ | H11 | 177.0° | 180.0° |
| OAR | CAP | OAQ | H11 | 0.0° | 0.0° |
| H1 | CAB | CAC | H2 | 0.9° | 0.1° |
| H2 | CAC | CAD | H3 | 1.0° | 0.1° |
| H3 | CAD | CAE | H4 | 3.2° | 0.0° |
| H7 | CAK | CAL | H8 | 2.2° | 0.0° |
| H9 | CAN | CAO | H10 | 1.2° | 0.2° |
