EOP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAD | PAR | sing | 1.61Å | 1.61Å | |
OAD | HAD | sing | 0.97Å | 0.95Å | |
PAR | OAH | sing | 1.61Å | 1.61Å | |
PAR | OAG | doub | 1.48Å | 1.48Å | |
PAR | CAL | sing | 1.82Å | 1.81Å | |
OAH | HAH | sing | 0.97Å | 0.95Å | |
CAL | CAP | sing | 1.51Å | 1.54Å | |
CAL | HAL1 | sing | 1.09Å | 1.10Å | |
CAL | HAL2 | sing | 1.09Å | 1.10Å | |
CAP | OAB | doub | 1.21Å | 1.23Å | |
CAP | NAN | sing | 1.35Å | 1.33Å | |
NAN | CAJ | sing | 1.47Å | 1.48Å | |
NAN | HAN | sing | 0.97Å | 1.00Å | |
CAJ | CAI | sing | 1.53Å | 1.53Å | |
CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
CAI | NAM | sing | 1.46Å | 1.47Å | |
CAI | HAI1 | sing | 1.09Å | 1.10Å | |
CAI | HAI2 | sing | 1.09Å | 1.10Å | |
NAM | CAO | sing | 1.35Å | 1.33Å | |
NAM | HAM | sing | 0.97Å | 1.00Å | |
CAO | OAA | doub | 1.21Å | 1.23Å | |
CAO | CAK | sing | 1.51Å | 1.53Å | |
CAK | PAQ | sing | 1.82Å | 1.81Å | |
CAK | HAK1 | sing | 1.09Å | 1.10Å | |
CAK | HAK2 | sing | 1.09Å | 1.10Å | |
PAQ | OAF | sing | 1.61Å | 1.61Å | |
PAQ | OAE | sing | 1.61Å | 1.61Å | |
PAQ | OAC | doub | 1.48Å | 1.48Å | |
OAF | HAF | sing | 0.97Å | 0.95Å | |
OAE | HAE | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
PAR | OAD | HAD | 109.5° | 106.8° |
OAD | PAR | OAH | 106.5° | 109.4° |
OAD | PAR | OAG | 112.2° | 109.5° |
OAD | PAR | CAL | 106.8° | 109.5° |
OAH | PAR | OAG | 111.8° | 109.5° |
OAH | PAR | CAL | 107.1° | 109.5° |
PAR | OAH | HAH | 109.5° | 106.8° |
OAG | PAR | CAL | 112.0° | 109.5° |
PAR | CAL | CAP | 116.4° | 109.5° |
PAR | CAL | HAL1 | 105.6° | 109.4° |
PAR | CAL | HAL2 | 107.2° | 109.5° |
CAP | CAL | HAL1 | 105.6° | 109.5° |
CAP | CAL | HAL2 | 107.2° | 109.5° |
CAL | CAP | OAB | 120.5° | 120.0° |
CAL | CAP | NAN | 115.0° | 120.0° |
HAL1 | CAL | HAL2 | 115.1° | 109.5° |
OAB | CAP | NAN | 124.5° | 120.0° |
CAP | NAN | CAJ | 124.2° | 120.0° |
CAP | NAN | HAN | 117.9° | 120.0° |
CAJ | NAN | HAN | 117.9° | 119.9° |
NAN | CAJ | CAI | 113.0° | 109.5° |
NAN | CAJ | HAJ1 | 107.5° | 109.5° |
NAN | CAJ | HAJ2 | 108.3° | 109.5° |
CAI | CAJ | HAJ1 | 107.5° | 109.5° |
CAI | CAJ | HAJ2 | 108.3° | 109.5° |
CAJ | CAI | NAM | 107.9° | 109.5° |
CAJ | CAI | HAI1 | 110.4° | 109.5° |
CAJ | CAI | HAI2 | 110.0° | 109.5° |
HAJ1 | CAJ | HAJ2 | 112.3° | 109.5° |
NAM | CAI | HAI1 | 110.4° | 109.5° |
NAM | CAI | HAI2 | 110.0° | 109.5° |
CAI | NAM | CAO | 125.1° | 120.0° |
CAI | NAM | HAM | 117.5° | 120.0° |
HAI1 | CAI | HAI2 | 108.2° | 109.4° |
CAO | NAM | HAM | 117.4° | 120.0° |
NAM | CAO | OAA | 122.8° | 120.0° |
NAM | CAO | CAK | 116.6° | 120.0° |
OAA | CAO | CAK | 120.3° | 120.0° |
CAO | CAK | PAQ | 109.1° | 109.5° |
CAO | CAK | HAK1 | 109.7° | 109.5° |
CAO | CAK | HAK2 | 109.6° | 109.5° |
PAQ | CAK | HAK1 | 109.7° | 109.5° |
PAQ | CAK | HAK2 | 109.6° | 109.5° |
CAK | PAQ | OAF | 105.5° | 109.4° |
CAK | PAQ | OAE | 105.9° | 109.5° |
CAK | PAQ | OAC | 112.8° | 109.5° |
HAK1 | CAK | HAK2 | 109.2° | 109.5° |
OAF | PAQ | OAE | 106.8° | 109.5° |
OAF | PAQ | OAC | 112.7° | 109.5° |
PAQ | OAF | HAF | 109.5° | 106.8° |
OAE | PAQ | OAC | 112.5° | 109.5° |
PAQ | OAE | HAE | 109.5° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAD | PAR | OAH | OAG | 122.9° | 120.0° |
OAD | PAR | OAH | CAL | 114.1° | 120.0° |
OAD | PAR | OAG | CAL | 120.2° | 120.0° |
OAD | PAR | OAH | HAH | 50.0° | 60.0° |
OAD | PAR | CAL | CAP | 28.1° | 175.0° |
OAD | PAR | CAL | HAL1 | 88.7° | 55.0° |
OAD | PAR | CAL | HAL2 | 148.1° | 65.0° |
HAD | OAD | PAR | OAH | 67.8° | 60.0° |
HAD | OAD | PAR | OAG | 54.8° | 60.0° |
HAD | OAD | PAR | CAL | 177.9° | 180.0° |
OAH | PAR | OAG | CAL | 120.2° | 120.0° |
OAH | PAR | CAL | CAP | 85.8° | 65.0° |
OAH | PAR | CAL | HAL1 | 157.5° | 175.0° |
OAH | PAR | CAL | HAL2 | 34.3° | 55.0° |
OAG | PAR | OAH | HAH | 72.9° | 180.0° |
OAG | PAR | CAL | CAP | 151.4° | 55.0° |
OAG | PAR | CAL | HAL1 | 34.6° | 65.0° |
OAG | PAR | CAL | HAL2 | 88.6° | 175.0° |
CAL | PAR | OAH | HAH | 164.1° | 60.0° |
PAR | CAL | CAP | HAL1 | 116.8° | 120.0° |
PAR | CAL | CAP | HAL2 | 120.0° | 120.0° |
PAR | CAL | HAL1 | HAL2 | 118.1° | 120.0° |
PAR | CAL | CAP | OAB | 104.0° | 79.9° |
PAR | CAL | CAP | NAN | 78.1° | 100.0° |
CAP | CAL | HAL1 | HAL2 | 118.0° | 120.1° |
CAL | CAP | OAB | NAN | 177.7° | 179.9° |
CAL | CAP | NAN | CAJ | 177.5° | 180.0° |
CAL | CAP | NAN | HAN | 2.5° | 0.0° |
HAL1 | CAL | CAP | OAB | 139.2° | 40.0° |
HAL1 | CAL | CAP | NAN | 38.7° | 140.0° |
HAL2 | CAL | CAP | OAB | 16.1° | 160.0° |
HAL2 | CAL | CAP | NAN | 161.9° | 20.0° |
OAB | CAP | NAN | CAJ | 0.3° | 0.1° |
OAB | CAP | NAN | HAN | 179.7° | 179.9° |
CAP | NAN | CAJ | HAN | 180.0° | 180.0° |
CAP | NAN | CAJ | CAI | 91.4° | 180.0° |
CAP | NAN | CAJ | HAJ1 | 150.1° | 60.0° |
CAP | NAN | CAJ | HAJ2 | 28.6° | 60.0° |
NAN | CAJ | CAI | HAJ1 | 118.5° | 120.0° |
NAN | CAJ | CAI | HAJ2 | 120.0° | 120.0° |
NAN | CAJ | HAJ1 | HAJ2 | 119.0° | 120.0° |
NAN | CAJ | CAI | NAM | 100.0° | 180.0° |
NAN | CAJ | CAI | HAI1 | 20.6° | 60.0° |
NAN | CAJ | CAI | HAI2 | 140.0° | 60.0° |
HAN | NAN | CAJ | CAI | 88.6° | 0.0° |
HAN | NAN | CAJ | HAJ1 | 29.9° | 120.0° |
HAN | NAN | CAJ | HAJ2 | 151.4° | 120.0° |
CAI | CAJ | HAJ1 | HAJ2 | 119.0° | 120.0° |
CAJ | CAI | NAM | HAI1 | 120.7° | 120.0° |
CAJ | CAI | NAM | HAI2 | 120.0° | 120.0° |
CAJ | CAI | HAI1 | HAI2 | 120.4° | 120.0° |
CAJ | CAI | NAM | CAO | 139.4° | 180.0° |
CAJ | CAI | NAM | HAM | 40.6° | 0.0° |
HAJ1 | CAJ | CAI | NAM | 141.5° | 60.0° |
HAJ1 | CAJ | CAI | HAI1 | 97.9° | 180.0° |
HAJ1 | CAJ | CAI | HAI2 | 21.5° | 60.1° |
HAJ2 | CAJ | CAI | NAM | 20.0° | 60.0° |
HAJ2 | CAJ | CAI | HAI1 | 140.6° | 60.0° |
HAJ2 | CAJ | CAI | HAI2 | 100.0° | 180.0° |
NAM | CAI | HAI1 | HAI2 | 120.4° | 120.0° |
CAI | NAM | CAO | HAM | 180.0° | 180.0° |
CAI | NAM | CAO | OAA | 173.4° | 0.1° |
CAI | NAM | CAO | CAK | 0.8° | 180.0° |
HAI1 | CAI | NAM | CAO | 18.7° | 60.0° |
HAI1 | CAI | NAM | HAM | 161.3° | 120.0° |
HAI2 | CAI | NAM | CAO | 100.6° | 60.0° |
HAI2 | CAI | NAM | HAM | 79.4° | 120.0° |
NAM | CAO | OAA | CAK | 174.1° | 179.9° |
NAM | CAO | CAK | PAQ | 94.9° | 100.0° |
NAM | CAO | CAK | HAK1 | 25.3° | 20.0° |
NAM | CAO | CAK | HAK2 | 145.1° | 140.0° |
HAM | NAM | CAO | OAA | 6.5° | 179.9° |
HAM | NAM | CAO | CAK | 179.2° | 0.0° |
OAA | CAO | CAK | PAQ | 79.6° | 80.1° |
OAA | CAO | CAK | HAK1 | 160.3° | 159.9° |
OAA | CAO | CAK | HAK2 | 40.5° | 40.0° |
CAO | CAK | PAQ | HAK1 | 120.1° | 120.0° |
CAO | CAK | PAQ | HAK2 | 120.0° | 120.0° |
CAO | CAK | HAK1 | HAK2 | 120.1° | 120.0° |
CAO | CAK | PAQ | OAF | 96.1° | 175.0° |
CAO | CAK | PAQ | OAE | 16.8° | 65.0° |
CAO | CAK | PAQ | OAC | 140.4° | 55.0° |
PAQ | CAK | HAK1 | HAK2 | 120.1° | 120.0° |
CAK | PAQ | OAF | OAE | 112.4° | 119.9° |
CAK | PAQ | OAF | OAC | 123.6° | 120.0° |
CAK | PAQ | OAE | OAC | 123.7° | 120.0° |
CAK | PAQ | OAF | HAF | 86.4° | 180.0° |
CAK | PAQ | OAE | HAE | 115.8° | 60.0° |
HAK1 | CAK | PAQ | OAF | 143.7° | 55.0° |
HAK1 | CAK | PAQ | OAE | 103.3° | 175.0° |
HAK1 | CAK | PAQ | OAC | 20.2° | 65.0° |
HAK2 | CAK | PAQ | OAF | 23.9° | 65.0° |
HAK2 | CAK | PAQ | OAE | 136.9° | 55.0° |
HAK2 | CAK | PAQ | OAC | 99.6° | 175.0° |
OAF | PAQ | OAE | OAC | 124.2° | 120.0° |
OAF | PAQ | OAE | HAE | 3.7° | 60.0° |
OAE | PAQ | OAF | HAF | 161.2° | 60.1° |
OAC | PAQ | OAF | HAF | 37.1° | 60.0° |
OAC | PAQ | OAE | HAE | 120.5° | 180.0° |