LC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | SAI | sing | 1.76Å | 1.70Å | Aromatic |
| CAH | CAP | doub | 1.35Å | 1.35Å | Aromatic |
| SAI | CAR | sing | 1.71Å | 1.69Å | Aromatic |
| CAR | NAQ | doub | 1.29Å | 1.35Å | Aromatic |
| NAQ | CAP | sing | 1.33Å | 1.36Å | Aromatic |
| CAP | CAO | sing | 1.48Å | 1.41Å | Aromatic |
| CAO | NAN | sing | 1.37Å | 1.34Å | Aromatic |
| CAO | NAG | doub | 1.31Å | 1.34Å | Aromatic |
| NAN | CAM | sing | 1.38Å | 1.34Å | Aromatic |
| CAM | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAF | sing | 1.41Å | 1.38Å | Aromatic |
| CAL | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAD | doub | 1.39Å | 1.41Å | Aromatic |
| CAD | SAC | sing | 1.76Å | 1.70Å | |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| SAC | OAA | doub | 1.42Å | 1.38Å | |
| SAC | OAJ | doub | 1.42Å | 1.44Å | |
| SAC | NAB | sing | 1.66Å | 1.57Å | |
| CAE | CAF | doub | 1.40Å | 1.41Å | Aromatic |
| CAF | NAG | sing | 1.36Å | 1.33Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAA | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAI | CAH | CAP | 107.1° | 107.8° |
| CAH | SAI | CAR | 95.9° | 90.5° |
| SAI | CAH | HAH | 126.4° | 126.1° |
| CAH | CAP | NAQ | 114.2° | 114.0° |
| CAH | CAP | CAO | 122.9° | 123.0° |
| CAP | CAH | HAH | 126.4° | 126.1° |
| SAI | CAR | NAQ | 105.9° | 110.6° |
| SAI | CAR | HAR | 127.1° | 124.7° |
| CAR | NAQ | CAP | 116.9° | 117.1° |
| NAQ | CAR | HAR | 127.1° | 124.7° |
| NAQ | CAP | CAO | 122.9° | 123.0° |
| CAP | CAO | NAN | 127.4° | 125.1° |
| CAP | CAO | NAG | 125.3° | 125.1° |
| NAN | CAO | NAG | 107.3° | 109.7° |
| CAO | NAN | CAM | 108.4° | 107.2° |
| CAO | NAN | HNAN | 125.8° | 126.4° |
| CAO | NAG | CAF | 110.0° | 109.7° |
| NAN | CAM | CAL | 132.9° | 133.9° |
| NAN | CAM | CAF | 108.0° | 106.2° |
| CAM | NAN | HNAN | 125.8° | 126.4° |
| CAL | CAM | CAF | 119.1° | 119.9° |
| CAM | CAL | CAK | 120.2° | 119.9° |
| CAM | CAL | HAL | 119.9° | 120.0° |
| CAM | CAF | CAE | 121.5° | 119.4° |
| CAM | CAF | NAG | 106.3° | 107.2° |
| CAL | CAK | CAD | 121.2° | 120.5° |
| CAK | CAL | HAL | 119.9° | 120.1° |
| CAL | CAK | HAK | 119.4° | 119.7° |
| CAK | CAD | SAC | 124.9° | 119.7° |
| CAK | CAD | CAE | 117.8° | 120.5° |
| CAD | CAK | HAK | 119.4° | 119.8° |
| SAC | CAD | CAE | 117.0° | 119.7° |
| CAD | SAC | OAA | 111.3° | 106.4° |
| CAD | SAC | OAJ | 113.4° | 106.4° |
| CAD | SAC | NAB | 102.5° | 107.2° |
| CAD | CAE | CAF | 120.1° | 119.8° |
| CAD | CAE | HAE | 119.9° | 120.1° |
| OAA | SAC | OAJ | 121.1° | 123.2° |
| OAA | SAC | NAB | 105.7° | 106.4° |
| OAJ | SAC | NAB | 99.9° | 106.4° |
| SAC | NAB | HNAB | 109.5° | 120.0° |
| SAC | NAB | HNAA | 109.5° | 120.0° |
| CAE | CAF | NAG | 132.2° | 133.4° |
| CAF | CAE | HAE | 119.9° | 120.1° |
| HNAB | NAB | HNAA | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAI | CAH | CAP | HAH | 180.0° | 179.8° |
| CAH | SAI | CAR | NAQ | 0.2° | 0.0° |
| SAI | CAH | CAP | NAQ | 0.8° | 0.1° |
| SAI | CAH | CAP | CAO | 179.3° | 180.0° |
| CAH | SAI | CAR | HAR | 179.8° | 180.0° |
| CAP | CAH | SAI | CAR | 0.4° | 0.0° |
| CAH | CAP | NAQ | CAR | 1.0° | 0.1° |
| CAH | CAP | NAQ | CAO | 178.5° | 179.9° |
| CAH | CAP | CAO | NAN | 166.3° | 180.0° |
| CAH | CAP | CAO | NAG | 12.2° | 0.3° |
| SAI | CAR | NAQ | HAR | 180.0° | 180.0° |
| SAI | CAR | NAQ | CAP | 0.7° | 0.0° |
| CAR | SAI | CAH | HAH | 179.7° | 179.7° |
| CAR | NAQ | CAP | CAO | 179.5° | 180.0° |
| NAQ | CAP | CAO | NAN | 12.0° | 0.0° |
| NAQ | CAP | CAO | NAG | 169.5° | 179.6° |
| NAQ | CAP | CAH | HAH | 179.2° | 179.7° |
| CAP | NAQ | CAR | HAR | 179.3° | 179.9° |
| CAP | CAO | NAN | NAG | 178.7° | 179.7° |
| CAP | CAO | NAN | CAM | 179.3° | 179.9° |
| CAP | CAO | NAG | CAF | 179.4° | 179.9° |
| CAO | CAP | CAH | HAH | 0.7° | 0.2° |
| CAP | CAO | NAN | HNAN | 0.7° | 0.1° |
| CAO | NAN | CAM | HNAN | 180.0° | 180.0° |
| CAO | NAN | CAM | CAL | 178.2° | 180.0° |
| CAO | NAN | CAM | CAF | 0.3° | 0.0° |
| NAN | CAO | NAG | CAF | 0.6° | 0.4° |
| NAG | CAO | NAN | CAM | 0.6° | 0.2° |
| CAO | NAG | CAF | CAM | 0.5° | 0.3° |
| CAO | NAG | CAF | CAE | 180.0° | 179.9° |
| NAG | CAO | NAN | HNAN | 179.4° | 179.8° |
| NAN | CAM | CAL | CAF | 177.7° | 180.0° |
| NAN | CAM | CAL | CAK | 179.0° | 180.0° |
| NAN | CAM | CAF | CAE | 179.7° | 180.0° |
| NAN | CAM | CAF | NAG | 0.1° | 0.2° |
| NAN | CAM | CAL | HAL | 1.0° | 0.0° |
| CAM | CAL | CAK | HAL | 180.0° | 180.0° |
| CAM | CAL | CAK | CAD | 2.5° | 0.0° |
| CAL | CAM | CAF | CAE | 1.5° | 0.0° |
| CAL | CAM | CAF | NAG | 178.1° | 179.8° |
| CAL | CAM | NAN | HNAN | 1.8° | 0.0° |
| CAM | CAL | CAK | HAK | 177.5° | 180.0° |
| CAF | CAM | CAL | CAK | 1.3° | 0.0° |
| CAM | CAF | CAE | CAD | 2.8° | 0.0° |
| CAM | CAF | CAE | NAG | 179.5° | 179.8° |
| CAF | CAM | NAN | HNAN | 179.7° | 180.0° |
| CAF | CAM | CAL | HAL | 178.7° | 180.0° |
| CAM | CAF | CAE | HAE | 177.2° | 179.9° |
| CAL | CAK | CAD | HAK | 180.0° | 180.0° |
| CAL | CAK | CAD | SAC | 177.4° | 180.0° |
| CAL | CAK | CAD | CAE | 3.7° | 0.0° |
| CAK | CAD | SAC | CAE | 173.6° | 180.0° |
| CAK | CAD | SAC | OAA | 162.4° | 156.4° |
| CAK | CAD | SAC | OAJ | 56.9° | 23.5° |
| CAK | CAD | SAC | NAB | 49.8° | 90.0° |
| CAK | CAD | CAE | CAF | 3.8° | 0.0° |
| CAD | CAK | CAL | HAL | 177.5° | 180.0° |
| CAK | CAD | CAE | HAE | 176.1° | 179.9° |
| CAD | SAC | OAA | OAJ | 137.2° | 122.9° |
| CAD | SAC | OAA | NAB | 110.6° | 114.1° |
| CAD | SAC | OAJ | NAB | 108.4° | 114.1° |
| SAC | CAD | CAE | CAF | 178.0° | 180.0° |
| SAC | CAD | CAK | HAK | 2.7° | 0.0° |
| CAD | SAC | NAB | HNAB | 31.4° | 0.0° |
| CAD | SAC | NAB | HNAA | 88.6° | 180.0° |
| SAC | CAD | CAE | HAE | 2.0° | 0.1° |
| CAE | CAD | SAC | OAA | 23.9° | 23.6° |
| CAE | CAD | SAC | OAJ | 116.8° | 156.5° |
| CAE | CAD | SAC | NAB | 136.5° | 90.0° |
| CAD | CAE | CAF | HAE | 180.0° | 179.9° |
| CAD | CAE | CAF | NAG | 176.7° | 179.7° |
| CAE | CAD | CAK | HAK | 176.3° | 180.0° |
| OAA | SAC | OAJ | NAB | 115.2° | 123.0° |
| OAA | SAC | NAB | HNAB | 85.3° | 113.5° |
| OAA | SAC | NAB | HNAA | 154.7° | 66.4° |
| OAJ | SAC | NAB | HNAB | 148.3° | 113.5° |
| OAJ | SAC | NAB | HNAA | 28.3° | 66.5° |
| SAC | NAB | HNAB | HNAA | 120.0° | 179.9° |
| NAG | CAF | CAE | HAE | 3.4° | 0.3° |
| HAL | CAL | CAK | HAK | 2.5° | 0.0° |
