0K7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.51Å | 1.54Å | |
| CAL | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAO | sing | 1.48Å | 1.41Å | |
| CAO | NAI | doub | 1.30Å | 1.35Å | Aromatic |
| CAO | SAJ | sing | 1.76Å | 1.69Å | Aromatic |
| NAI | CAN | sing | 1.33Å | 1.36Å | Aromatic |
| SAJ | CAH | sing | 1.71Å | 1.69Å | Aromatic |
| CAN | CAH | doub | 1.36Å | 1.34Å | Aromatic |
| CAN | CAK | sing | 1.47Å | 1.53Å | |
| OAB | CAK | doub | 1.22Å | 1.23Å | |
| CAK | OAC | sing | 1.35Å | 1.24Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| OAC | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | CAD | 119.9° | 119.9° |
| CAA | CAL | CAE | 120.6° | 119.8° |
| CAL | CAA | H3 | 109.5° | 109.4° |
| CAL | CAA | H4 | 109.5° | 109.5° |
| CAL | CAA | H5 | 109.5° | 109.5° |
| CAD | CAL | CAE | 119.5° | 120.3° |
| CAL | CAD | CAF | 120.1° | 120.2° |
| CAL | CAD | H2 | 119.9° | 119.9° |
| CAL | CAE | CAG | 120.1° | 120.2° |
| CAL | CAE | H6 | 120.0° | 120.0° |
| CAD | CAF | CAM | 121.1° | 119.9° |
| CAD | CAF | H1 | 119.5° | 120.1° |
| CAF | CAD | H2 | 120.0° | 120.0° |
| CAE | CAG | CAM | 120.8° | 119.8° |
| CAG | CAE | H6 | 119.9° | 119.9° |
| CAE | CAG | H7 | 119.6° | 120.1° |
| CAF | CAM | CAG | 118.4° | 119.7° |
| CAF | CAM | CAO | 121.2° | 120.1° |
| CAM | CAF | H1 | 119.4° | 120.0° |
| CAG | CAM | CAO | 120.4° | 120.2° |
| CAM | CAG | H7 | 119.6° | 120.1° |
| CAM | CAO | NAI | 131.3° | 125.2° |
| CAM | CAO | SAJ | 122.2° | 125.3° |
| NAI | CAO | SAJ | 106.4° | 109.6° |
| CAO | NAI | CAN | 114.5° | 115.9° |
| CAO | SAJ | CAH | 96.6° | 90.6° |
| NAI | CAN | CAH | 116.9° | 114.9° |
| NAI | CAN | CAK | 124.1° | 122.5° |
| SAJ | CAH | CAN | 105.6° | 109.0° |
| SAJ | CAH | H8 | 127.2° | 125.5° |
| CAH | CAN | CAK | 119.0° | 122.6° |
| CAN | CAH | H8 | 127.2° | 125.5° |
| CAN | CAK | OAB | 120.4° | 120.0° |
| CAN | CAK | OAC | 116.2° | 120.0° |
| OAB | CAK | OAC | 123.4° | 120.0° |
| CAK | OAC | H9 | 109.5° | 117.0° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H3 | CAA | H5 | 109.5° | 109.5° |
| H4 | CAA | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | CAD | CAE | 179.9° | 179.9° |
| CAA | CAL | CAD | CAF | 179.7° | 179.9° |
| CAA | CAL | CAE | CAG | 179.9° | 179.9° |
| CAA | CAL | CAD | H2 | 0.3° | 0.0° |
| CAL | CAA | H3 | H4 | 120.0° | 120.0° |
| CAL | CAA | H3 | H5 | 120.0° | 120.0° |
| CAL | CAA | H4 | H5 | 120.0° | 120.0° |
| CAA | CAL | CAE | H6 | 0.1° | 0.1° |
| CAL | CAD | CAF | H2 | 180.0° | 180.0° |
| CAD | CAL | CAE | CAG | 0.0° | 0.0° |
| CAL | CAD | CAF | CAM | 0.2° | 0.0° |
| CAL | CAD | CAF | H1 | 179.8° | 179.8° |
| CAD | CAL | CAA | H3 | 89.9° | 90.0° |
| CAD | CAL | CAA | H4 | 150.1° | 150.0° |
| CAD | CAL | CAA | H5 | 30.1° | 30.0° |
| CAD | CAL | CAE | H6 | 180.0° | 180.0° |
| CAE | CAL | CAD | CAF | 0.4° | 0.0° |
| CAL | CAE | CAG | H6 | 180.0° | 180.0° |
| CAL | CAE | CAG | CAM | 1.0° | 0.0° |
| CAE | CAL | CAD | H2 | 179.6° | 180.0° |
| CAE | CAL | CAA | H3 | 89.9° | 90.0° |
| CAE | CAL | CAA | H4 | 30.0° | 29.9° |
| CAE | CAL | CAA | H5 | 150.1° | 150.0° |
| CAL | CAE | CAG | H7 | 179.1° | 180.0° |
| CAD | CAF | CAM | H1 | 180.0° | 179.8° |
| CAD | CAF | CAM | CAG | 1.2° | 0.0° |
| CAD | CAF | CAM | CAO | 178.3° | 179.7° |
| CAE | CAG | CAM | CAF | 1.5° | 0.0° |
| CAE | CAG | CAM | H7 | 180.0° | 180.0° |
| CAE | CAG | CAM | CAO | 178.7° | 179.7° |
| CAF | CAM | CAG | CAO | 177.2° | 179.7° |
| CAF | CAM | CAO | NAI | 3.6° | 180.0° |
| CAF | CAM | CAO | SAJ | 179.6° | 0.3° |
| CAM | CAF | CAD | H2 | 179.8° | 180.0° |
| CAF | CAM | CAG | H7 | 178.5° | 180.0° |
| CAG | CAM | CAO | NAI | 173.4° | 0.3° |
| CAG | CAM | CAO | SAJ | 3.4° | 179.5° |
| CAG | CAM | CAF | H1 | 178.8° | 179.8° |
| CAM | CAG | CAE | H6 | 179.0° | 180.0° |
| CAM | CAO | NAI | SAJ | 177.2° | 179.8° |
| CAM | CAO | NAI | CAN | 177.5° | 180.0° |
| CAM | CAO | SAJ | CAH | 178.3° | 180.0° |
| CAO | CAM | CAF | H1 | 1.7° | 0.0° |
| CAO | CAM | CAG | H7 | 1.3° | 0.3° |
| NAI | CAO | SAJ | CAH | 0.8° | 0.2° |
| CAO | NAI | CAN | CAH | 0.4° | 0.1° |
| CAO | NAI | CAN | CAK | 179.0° | 180.0° |
| SAJ | CAO | NAI | CAN | 0.3° | 0.3° |
| CAO | SAJ | CAH | CAN | 1.0° | 0.2° |
| CAO | SAJ | CAH | H8 | 179.0° | 179.9° |
| NAI | CAN | CAH | SAJ | 0.9° | 0.1° |
| NAI | CAN | CAH | CAK | 178.6° | 179.8° |
| NAI | CAN | CAK | OAB | 1.2° | 180.0° |
| NAI | CAN | CAK | OAC | 176.3° | 0.0° |
| NAI | CAN | CAH | H8 | 179.0° | 179.8° |
| SAJ | CAH | CAN | H8 | 180.0° | 179.8° |
| SAJ | CAH | CAN | CAK | 179.6° | 179.8° |
| CAH | CAN | CAK | OAB | 177.3° | 0.2° |
| CAH | CAN | CAK | OAC | 5.2° | 179.8° |
| CAN | CAK | OAB | OAC | 177.3° | 180.0° |
| CAK | CAN | CAH | H8 | 0.4° | 0.0° |
| CAN | CAK | OAC | H9 | 177.4° | 180.0° |
| OAB | CAK | OAC | H9 | 0.0° | 0.0° |
| H1 | CAF | CAD | H2 | 0.2° | 0.3° |
| H3 | CAA | H4 | H5 | 120.0° | 120.0° |
| H6 | CAE | CAG | H7 | 0.9° | 0.0° |
