LT2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAG | CAF | sing | 1.46Å | 1.47Å | |
CAL | CAF | sing | 1.54Å | 1.52Å | |
CAF | HAF | sing | 1.09Å | 1.10Å | |
CAF | HAFA | sing | 1.09Å | 1.10Å | |
CAH | NAG | sing | 1.38Å | 1.33Å | |
NAG | HNAG | sing | 0.97Å | 1.00Å | |
CAD | CAH | doub | 1.37Å | 1.39Å | |
CAH | CAI | sing | 1.47Å | 1.40Å | |
CAJ | CAD | sing | 1.41Å | 1.39Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
OAA | CAJ | doub | 1.22Å | 1.23Å | |
CAJ | CAK | sing | 1.50Å | 1.39Å | |
OAB | CAK | doub | 1.21Å | 1.22Å | |
CAK | CAE | sing | 1.47Å | 1.39Å | |
CAE | CAI | doub | 1.34Å | 1.39Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAI | CAL | sing | 1.51Å | 1.53Å | |
CAL | OAC | sing | 1.43Å | 1.43Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
OAC | HOAC | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAG | CAF | CAL | 102.9° | 106.6° |
NAG | CAF | HAF | 111.7° | 110.0° |
NAG | CAF | HAFA | 113.1° | 110.1° |
CAF | NAG | CAH | 110.9° | 111.1° |
CAF | NAG | HNAG | 109.0° | 124.4° |
CAL | CAF | HAF | 111.7° | 110.0° |
CAL | CAF | HAFA | 113.1° | 110.0° |
CAF | CAL | CAI | 101.7° | 104.6° |
CAF | CAL | OAC | 109.5° | 110.5° |
CAF | CAL | HAL | 114.6° | 110.5° |
HAF | CAF | HAFA | 104.6° | 110.0° |
CAH | NAG | HNAG | 109.0° | 124.5° |
NAG | CAH | CAD | 130.3° | 129.0° |
NAG | CAH | CAI | 109.8° | 110.3° |
CAD | CAH | CAI | 119.8° | 120.6° |
CAH | CAD | CAJ | 119.9° | 121.1° |
CAH | CAD | HAD | 120.1° | 119.4° |
CAH | CAI | CAE | 120.2° | 121.7° |
CAH | CAI | CAL | 108.5° | 107.3° |
CAJ | CAD | HAD | 120.1° | 119.5° |
CAD | CAJ | OAA | 121.1° | 120.5° |
CAD | CAJ | CAK | 119.8° | 119.0° |
OAA | CAJ | CAK | 119.1° | 120.5° |
CAJ | CAK | OAB | 119.0° | 121.0° |
CAJ | CAK | CAE | 120.7° | 118.1° |
OAB | CAK | CAE | 120.3° | 120.9° |
CAK | CAE | CAI | 119.6° | 119.5° |
CAK | CAE | HAE | 120.2° | 120.2° |
CAI | CAE | HAE | 120.2° | 120.2° |
CAE | CAI | CAL | 131.3° | 131.0° |
CAI | CAL | OAC | 110.1° | 110.4° |
CAI | CAL | HAL | 114.0° | 110.4° |
OAC | CAL | HAL | 106.8° | 110.4° |
CAL | OAC | HOAC | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAG | CAF | CAL | HAF | 120.0° | 119.3° |
NAG | CAF | CAL | HAFA | 122.4° | 119.4° |
NAG | CAF | HAF | HAFA | 122.7° | 121.5° |
CAF | NAG | CAH | HNAG | 120.0° | 179.9° |
CAF | NAG | CAH | CAD | 164.2° | 179.9° |
CAF | NAG | CAH | CAI | 16.0° | 0.0° |
NAG | CAF | CAL | CAI | 22.4° | 0.0° |
NAG | CAF | CAL | OAC | 138.9° | 118.8° |
NAG | CAF | CAL | HAL | 101.1° | 118.8° |
CAL | CAF | HAF | HAFA | 122.6° | 121.3° |
CAL | CAF | NAG | CAH | 24.8° | 0.0° |
CAL | CAF | NAG | HNAG | 144.8° | 179.9° |
CAF | CAL | CAI | CAH | 14.7° | 0.0° |
CAF | CAL | CAI | CAE | 165.5° | 180.0° |
CAF | CAL | CAI | OAC | 116.0° | 118.8° |
CAF | CAL | CAI | HAL | 123.9° | 118.8° |
CAF | CAL | OAC | HAL | 124.7° | 122.5° |
CAF | CAL | OAC | HOAC | 36.1° | 64.8° |
HAF | CAF | NAG | CAH | 144.8° | 119.2° |
HAF | CAF | NAG | HNAG | 95.2° | 60.8° |
HAF | CAF | CAL | CAI | 142.4° | 119.3° |
HAF | CAF | CAL | OAC | 101.1° | 121.9° |
HAF | CAF | CAL | HAL | 18.9° | 0.5° |
HAFA | CAF | NAG | CAH | 97.5° | 119.3° |
HAFA | CAF | NAG | HNAG | 22.5° | 60.6° |
HAFA | CAF | CAL | CAI | 100.0° | 119.4° |
HAFA | CAF | CAL | OAC | 16.5° | 0.6° |
HAFA | CAF | CAL | HAL | 136.5° | 121.9° |
NAG | CAH | CAD | CAI | 179.8° | 179.9° |
NAG | CAH | CAD | CAJ | 179.8° | 180.0° |
NAG | CAH | CAD | HAD | 0.2° | 0.1° |
NAG | CAH | CAI | CAE | 179.8° | 180.0° |
NAG | CAH | CAI | CAL | 0.0° | 0.0° |
HNAG | NAG | CAH | CAD | 44.2° | 0.0° |
HNAG | NAG | CAH | CAI | 136.0° | 179.9° |
CAH | CAD | CAJ | HAD | 180.0° | 180.0° |
CAH | CAD | CAJ | OAA | 179.9° | 179.9° |
CAH | CAD | CAJ | CAK | 0.0° | 0.0° |
CAD | CAH | CAI | CAE | 0.1° | 0.0° |
CAD | CAH | CAI | CAL | 179.8° | 179.9° |
CAI | CAH | CAD | CAJ | 0.0° | 0.0° |
CAI | CAH | CAD | HAD | 180.0° | 180.0° |
CAH | CAI | CAE | CAK | 0.2° | 0.0° |
CAH | CAI | CAE | CAL | 179.7° | 179.9° |
CAH | CAI | CAE | HAE | 179.8° | 180.0° |
CAH | CAI | CAL | OAC | 130.8° | 118.8° |
CAH | CAI | CAL | HAL | 109.2° | 118.8° |
CAD | CAJ | OAA | CAK | 180.0° | 180.0° |
CAD | CAJ | CAK | OAB | 179.9° | 180.0° |
CAD | CAJ | CAK | CAE | 0.1° | 0.0° |
HAD | CAD | CAJ | OAA | 0.1° | 0.0° |
HAD | CAD | CAJ | CAK | 180.0° | 180.0° |
OAA | CAJ | CAK | OAB | 0.1° | 0.0° |
OAA | CAJ | CAK | CAE | 180.0° | 180.0° |
CAJ | CAK | OAB | CAE | 180.0° | 180.0° |
CAJ | CAK | CAE | CAI | 0.2° | 0.0° |
CAJ | CAK | CAE | HAE | 179.8° | 180.0° |
OAB | CAK | CAE | CAI | 179.8° | 180.0° |
OAB | CAK | CAE | HAE | 0.2° | 0.0° |
CAK | CAE | CAI | HAE | 180.0° | 180.0° |
CAK | CAE | CAI | CAL | 179.9° | 179.9° |
CAE | CAI | CAL | OAC | 49.5° | 61.1° |
CAE | CAI | CAL | HAL | 70.5° | 61.2° |
HAE | CAE | CAI | CAL | 0.1° | 0.1° |
CAI | CAL | OAC | HAL | 124.3° | 122.3° |
CAI | CAL | OAC | HOAC | 147.2° | 180.0° |
HAL | CAL | OAC | HOAC | 88.5° | 57.7° |