LNR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAJ | OAC | sing | 1.36Å | 1.39Å | |
OAC | HOAC | sing | 0.97Å | 0.95Å | |
CAG | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
CAJ | CAI | sing | 1.39Å | 1.37Å | Aromatic |
CAK | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAE | CAI | doub | 1.39Å | 1.38Å | Aromatic |
CAI | OAB | sing | 1.36Å | 1.39Å | |
OAB | HOAB | sing | 0.97Å | 0.95Å | |
CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAK | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAL | CAK | sing | 1.51Å | 1.54Å | |
CAH | CAL | sing | 1.53Å | 1.52Å | |
OAD | CAL | sing | 1.43Å | 1.39Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
NAA | CAH | sing | 1.47Å | 1.45Å | |
CAH | HAH | sing | 1.09Å | 1.10Å | |
CAH | HAHA | sing | 1.09Å | 1.10Å | |
NAA | HNAA | sing | 1.01Å | 1.00Å | |
NAA | HNAB | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAJ | OAC | HOAC | 109.5° | 114.0° |
OAC | CAJ | CAG | 123.0° | 120.1° |
OAC | CAJ | CAI | 116.1° | 120.1° |
CAG | CAJ | CAI | 121.0° | 119.9° |
CAJ | CAG | CAK | 119.3° | 119.9° |
CAJ | CAG | HAG | 120.4° | 120.0° |
CAJ | CAI | CAE | 120.4° | 119.8° |
CAJ | CAI | OAB | 119.2° | 120.1° |
CAK | CAG | HAG | 120.4° | 120.0° |
CAG | CAK | CAF | 118.9° | 120.2° |
CAG | CAK | CAL | 122.8° | 119.9° |
CAE | CAI | OAB | 120.3° | 120.1° |
CAI | CAE | CAF | 119.2° | 120.0° |
CAI | CAE | HAE | 120.4° | 120.0° |
CAI | OAB | HOAB | 109.5° | 114.0° |
CAF | CAE | HAE | 120.4° | 120.0° |
CAE | CAF | CAK | 121.2° | 120.1° |
CAE | CAF | HAF | 119.3° | 120.0° |
CAK | CAF | HAF | 119.4° | 119.9° |
CAF | CAK | CAL | 118.4° | 119.9° |
CAK | CAL | CAH | 109.8° | 109.4° |
CAK | CAL | OAD | 112.6° | 109.5° |
CAK | CAL | HAL | 108.0° | 109.5° |
CAH | CAL | OAD | 108.0° | 109.5° |
CAH | CAL | HAL | 108.3° | 109.5° |
CAL | CAH | NAA | 108.6° | 109.5° |
CAL | CAH | HAH | 109.7° | 109.5° |
CAL | CAH | HAHA | 109.7° | 109.5° |
OAD | CAL | HAL | 110.0° | 109.5° |
CAL | OAD | HOAD | 109.5° | 114.0° |
NAA | CAH | HAH | 109.7° | 109.5° |
NAA | CAH | HAHA | 109.7° | 109.4° |
CAH | NAA | HNAA | 109.5° | 111.0° |
CAH | NAA | HNAB | 109.5° | 111.0° |
HAH | CAH | HAHA | 109.5° | 109.5° |
HNAA | NAA | HNAB | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAJ | CAG | CAI | 179.3° | 179.7° |
OAC | CAJ | CAG | CAK | 180.0° | 180.0° |
OAC | CAJ | CAG | HAG | 0.0° | 0.0° |
OAC | CAJ | CAI | CAE | 179.6° | 180.0° |
OAC | CAJ | CAI | OAB | 1.6° | 0.0° |
HOAC | OAC | CAJ | CAG | 180.0° | 89.7° |
HOAC | OAC | CAJ | CAI | 0.7° | 90.0° |
CAJ | CAG | CAK | HAG | 180.0° | 180.0° |
CAG | CAJ | CAI | CAE | 0.3° | 0.3° |
CAG | CAJ | CAI | OAB | 177.7° | 179.8° |
CAJ | CAG | CAK | CAF | 0.2° | 0.0° |
CAJ | CAG | CAK | CAL | 178.1° | 180.0° |
CAI | CAJ | CAG | CAK | 0.7° | 0.3° |
CAI | CAJ | CAG | HAG | 179.3° | 179.7° |
CAJ | CAI | CAE | OAB | 177.9° | 180.0° |
CAJ | CAI | OAB | HOAB | 180.0° | 90.0° |
CAJ | CAI | CAE | CAF | 0.6° | 0.0° |
CAJ | CAI | CAE | HAE | 179.4° | 180.0° |
CAG | CAK | CAF | CAE | 0.7° | 0.2° |
CAG | CAK | CAF | CAL | 178.4° | 179.9° |
CAG | CAK | CAF | HAF | 179.3° | 179.9° |
CAG | CAK | CAL | CAH | 37.5° | 95.0° |
CAG | CAK | CAL | OAD | 82.9° | 144.9° |
CAG | CAK | CAL | HAL | 155.4° | 25.0° |
HAG | CAG | CAK | CAF | 179.8° | 180.0° |
HAG | CAG | CAK | CAL | 1.9° | 0.1° |
CAE | CAI | OAB | HOAB | 2.0° | 90.0° |
CAI | CAE | CAF | HAE | 180.0° | 180.0° |
CAI | CAE | CAF | CAK | 1.1° | 0.3° |
CAI | CAE | CAF | HAF | 178.9° | 180.0° |
OAB | CAI | CAE | CAF | 178.6° | 180.0° |
OAB | CAI | CAE | HAE | 1.4° | 0.1° |
CAE | CAF | CAK | HAF | 180.0° | 179.7° |
CAE | CAF | CAK | CAL | 179.1° | 179.7° |
HAE | CAE | CAF | CAK | 178.9° | 179.7° |
HAE | CAE | CAF | HAF | 1.2° | 0.0° |
CAF | CAK | CAL | CAH | 140.8° | 85.0° |
CAF | CAK | CAL | OAD | 98.8° | 35.0° |
CAF | CAK | CAL | HAL | 22.9° | 155.0° |
HAF | CAF | CAK | CAL | 0.9° | 0.0° |
CAK | CAL | CAH | OAD | 123.2° | 120.0° |
CAK | CAL | CAH | HAL | 117.7° | 120.0° |
CAK | CAL | OAD | HAL | 120.6° | 120.0° |
CAK | CAL | OAD | HOAD | 180.0° | 60.0° |
CAK | CAL | CAH | NAA | 167.7° | 180.0° |
CAK | CAL | CAH | HAH | 47.8° | 60.0° |
CAK | CAL | CAH | HAHA | 72.5° | 60.0° |
CAH | CAL | OAD | HAL | 118.0° | 120.0° |
CAH | CAL | OAD | HOAD | 58.6° | 59.9° |
CAL | CAH | NAA | HAH | 119.9° | 120.0° |
CAL | CAH | NAA | HAHA | 119.9° | 120.0° |
CAL | CAH | HAH | HAHA | 120.5° | 120.0° |
CAL | CAH | NAA | HNAA | 180.0° | 56.0° |
CAL | CAH | NAA | HNAB | 60.0° | 180.0° |
OAD | CAL | CAH | NAA | 44.5° | 60.0° |
OAD | CAL | CAH | HAH | 75.3° | 60.0° |
OAD | CAL | CAH | HAHA | 164.4° | 180.0° |
HAL | CAL | OAD | HOAD | 59.4° | 180.0° |
HAL | CAL | CAH | NAA | 74.6° | 60.0° |
HAL | CAL | CAH | HAH | 165.6° | 180.0° |
HAL | CAL | CAH | HAHA | 45.3° | 59.9° |
NAA | CAH | HAH | HAHA | 120.4° | 120.0° |
CAH | NAA | HNAA | HNAB | 120.0° | 123.9° |
HAH | CAH | NAA | HNAA | 60.1° | 64.0° |
HAH | CAH | NAA | HNAB | 179.9° | 60.0° |
HAHA | CAH | NAA | HNAA | 60.1° | 176.0° |
HAHA | CAH | NAA | HNAB | 59.9° | 60.0° |