ALH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAO | CAN | sing | 1.36Å | 1.30Å | |
OAO | HAO | sing | 0.97Å | 0.99Å | |
CAN | CAU | doub | 1.39Å | 1.40Å | Aromatic |
CAN | CAF | sing | 1.39Å | 1.38Å | Aromatic |
CAU | CAT | sing | 1.38Å | 1.40Å | Aromatic |
CAU | HAU | sing | 1.08Å | 1.06Å | |
CAT | CAM | doub | 1.40Å | 1.39Å | Aromatic |
CAT | HAT | sing | 1.08Å | 1.06Å | |
CAM | CAE | sing | 1.40Å | 1.41Å | Aromatic |
CAM | CAL | sing | 1.48Å | 1.39Å | Aromatic |
CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAE | HAE | sing | 1.08Å | 1.06Å | |
CAF | HAF | sing | 1.08Å | 1.06Å | |
CAL | NAS | sing | 1.38Å | 1.36Å | Aromatic |
CAL | CAK | doub | 1.36Å | 1.42Å | Aromatic |
NAS | CAR | sing | 1.38Å | 1.32Å | Aromatic |
NAS | HAS | sing | 0.97Å | 0.99Å | |
CAR | NAQ | doub | 1.32Å | 1.44Å | Aromatic |
CAR | CAJ | sing | 1.41Å | 1.37Å | Aromatic |
NAQ | CAP | sing | 1.32Å | 1.34Å | Aromatic |
CAJ | NAI | doub | 1.33Å | 1.43Å | Aromatic |
CAJ | CAK | sing | 1.42Å | 1.38Å | Aromatic |
NAI | CAH | sing | 1.32Å | 1.33Å | Aromatic |
CAH | CAP | doub | 1.39Å | 1.40Å | Aromatic |
CAH | HAH | sing | 1.08Å | 1.06Å | |
CAP | HAP | sing | 1.08Å | 1.06Å | |
CAK | CAG | sing | 1.51Å | 1.53Å | |
CAG | CAD | sing | 1.53Å | 1.53Å | |
CAG | HAG1 | sing | 1.09Å | 1.10Å | |
CAG | HAG2 | sing | 1.09Å | 1.10Å | |
CAD | CAC | sing | 1.53Å | 1.53Å | |
CAD | HAD1 | sing | 1.09Å | 1.10Å | |
CAD | HAD2 | sing | 1.09Å | 1.10Å | |
CAC | CAB | sing | 1.53Å | 1.53Å | |
CAC | HAC1 | sing | 1.09Å | 1.10Å | |
CAC | HAC2 | sing | 1.09Å | 1.10Å | |
CAB | HAB1 | sing | 1.09Å | 1.10Å | |
CAB | HAB2 | sing | 1.09Å | 1.10Å | |
CAB | HAB3 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAN | OAO | HAO | 109.5° | 106.8° |
OAO | CAN | CAU | 120.8° | 120.0° |
OAO | CAN | CAF | 117.5° | 119.9° |
CAU | CAN | CAF | 121.7° | 120.2° |
CAN | CAU | CAT | 120.9° | 120.1° |
CAN | CAU | HAU | 119.6° | 119.9° |
CAN | CAF | CAE | 117.8° | 120.1° |
CAN | CAF | HAF | 121.1° | 120.0° |
CAT | CAU | HAU | 119.6° | 120.0° |
CAU | CAT | CAM | 117.9° | 119.9° |
CAU | CAT | HAT | 121.0° | 120.0° |
CAM | CAT | HAT | 121.1° | 120.0° |
CAT | CAM | CAE | 120.5° | 119.8° |
CAT | CAM | CAL | 125.3° | 120.1° |
CAE | CAM | CAL | 114.2° | 120.1° |
CAM | CAE | CAF | 121.2° | 119.9° |
CAM | CAE | HAE | 119.4° | 120.1° |
CAM | CAL | NAS | 122.8° | 125.3° |
CAM | CAL | CAK | 122.6° | 125.4° |
CAF | CAE | HAE | 119.4° | 120.0° |
CAE | CAF | HAF | 121.1° | 119.9° |
NAS | CAL | CAK | 114.6° | 109.3° |
CAL | NAS | CAR | 103.8° | 108.9° |
CAL | NAS | HAS | 128.1° | 125.6° |
CAL | CAK | CAJ | 99.6° | 107.8° |
CAL | CAK | CAG | 132.4° | 126.1° |
CAR | NAS | HAS | 128.1° | 125.6° |
NAS | CAR | NAQ | 126.7° | 133.2° |
NAS | CAR | CAJ | 111.2° | 107.3° |
NAQ | CAR | CAJ | 122.1° | 119.6° |
CAR | NAQ | CAP | 114.9° | 119.9° |
CAR | CAJ | NAI | 119.6° | 119.7° |
CAR | CAJ | CAK | 110.8° | 106.8° |
NAQ | CAP | CAH | 123.6° | 120.6° |
NAQ | CAP | HAP | 118.2° | 119.7° |
NAI | CAJ | CAK | 129.5° | 133.5° |
CAJ | NAI | CAH | 117.7° | 119.7° |
CAJ | CAK | CAG | 127.9° | 126.1° |
NAI | CAH | CAP | 121.9° | 120.5° |
NAI | CAH | HAH | 119.1° | 119.8° |
CAP | CAH | HAH | 119.1° | 119.7° |
CAH | CAP | HAP | 118.2° | 119.7° |
CAK | CAG | CAD | 121.3° | 109.5° |
CAK | CAG | HAG1 | 106.4° | 109.5° |
CAK | CAG | HAG2 | 102.5° | 109.5° |
CAD | CAG | HAG1 | 106.5° | 109.5° |
CAD | CAG | HAG2 | 102.6° | 109.4° |
CAG | CAD | CAC | 107.6° | 109.5° |
CAG | CAD | HAD1 | 109.9° | 109.4° |
CAG | CAD | HAD2 | 110.6° | 109.5° |
HAG1 | CAG | HAG2 | 118.5° | 109.5° |
CAC | CAD | HAD1 | 109.9° | 109.4° |
CAC | CAD | HAD2 | 110.6° | 109.5° |
CAD | CAC | CAB | 115.6° | 109.5° |
CAD | CAC | HAC1 | 107.9° | 109.4° |
CAD | CAC | HAC2 | 105.9° | 109.5° |
HAD1 | CAD | HAD2 | 108.2° | 109.5° |
CAB | CAC | HAC1 | 107.9° | 109.5° |
CAB | CAC | HAC2 | 105.9° | 109.5° |
CAC | CAB | HAB1 | 109.5° | 109.5° |
CAC | CAB | HAB2 | 109.5° | 109.5° |
CAC | CAB | HAB3 | 109.5° | 109.5° |
HAC1 | CAC | HAC2 | 113.8° | 109.4° |
HAB1 | CAB | HAB2 | 109.4° | 109.5° |
HAB1 | CAB | HAB3 | 109.4° | 109.5° |
HAB2 | CAB | HAB3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAO | CAN | CAU | CAF | 178.5° | 179.9° |
OAO | CAN | CAU | CAT | 179.4° | 180.0° |
OAO | CAN | CAU | HAU | 0.6° | 0.1° |
OAO | CAN | CAF | CAE | 179.6° | 179.7° |
OAO | CAN | CAF | HAF | 0.4° | 0.0° |
HAO | OAO | CAN | CAU | 97.6° | 89.8° |
HAO | OAO | CAN | CAF | 83.9° | 90.0° |
CAN | CAU | CAT | HAU | 180.0° | 179.9° |
CAN | CAU | CAT | CAM | 1.7° | 0.1° |
CAN | CAU | CAT | HAT | 178.3° | 179.8° |
CAU | CAN | CAF | CAE | 1.1° | 0.2° |
CAU | CAN | CAF | HAF | 178.9° | 179.9° |
CAF | CAN | CAU | CAT | 2.1° | 0.1° |
CAF | CAN | CAU | HAU | 177.9° | 180.0° |
CAN | CAF | CAE | CAM | 0.2° | 0.5° |
CAN | CAF | CAE | HAF | 180.0° | 179.7° |
CAN | CAF | CAE | HAE | 179.8° | 180.0° |
CAU | CAT | CAM | HAT | 180.0° | 179.9° |
CAU | CAT | CAM | CAE | 0.3° | 0.3° |
CAU | CAT | CAM | CAL | 179.8° | 180.0° |
HAU | CAU | CAT | CAM | 178.3° | 180.0° |
HAU | CAU | CAT | HAT | 1.7° | 0.1° |
CAT | CAM | CAE | CAL | 179.9° | 179.7° |
CAT | CAM | CAE | CAF | 0.6° | 0.6° |
CAT | CAM | CAE | HAE | 179.4° | 179.9° |
CAT | CAM | CAL | NAS | 178.5° | 60.0° |
CAT | CAM | CAL | CAK | 1.4° | 120.1° |
HAT | CAT | CAM | CAE | 179.6° | 179.8° |
HAT | CAT | CAM | CAL | 0.2° | 0.1° |
CAM | CAE | CAF | HAE | 180.0° | 179.5° |
CAM | CAE | CAF | HAF | 179.8° | 179.8° |
CAE | CAM | CAL | NAS | 1.3° | 119.7° |
CAE | CAM | CAL | CAK | 178.8° | 60.2° |
CAL | CAM | CAE | CAF | 179.3° | 179.7° |
CAL | CAM | CAE | HAE | 0.7° | 0.2° |
CAM | CAL | NAS | CAK | 179.9° | 179.9° |
CAM | CAL | NAS | CAR | 179.6° | 180.0° |
CAM | CAL | NAS | HAS | 0.3° | 0.1° |
CAM | CAL | CAK | CAJ | 178.7° | 179.9° |
CAM | CAL | CAK | CAG | 2.8° | 0.1° |
HAE | CAE | CAF | HAF | 0.2° | 0.3° |
CAL | NAS | CAR | HAS | 180.0° | 179.9° |
CAL | NAS | CAR | NAQ | 179.5° | 180.0° |
CAL | NAS | CAR | CAJ | 0.8° | 0.1° |
NAS | CAL | CAK | CAJ | 1.4° | 0.2° |
NAS | CAL | CAK | CAG | 177.3° | 180.0° |
CAK | CAL | NAS | CAR | 0.5° | 0.1° |
CAK | CAL | NAS | HAS | 179.6° | 180.0° |
CAL | CAK | CAJ | CAR | 1.8° | 0.3° |
CAL | CAK | CAJ | NAI | 179.5° | 179.6° |
CAL | CAK | CAJ | CAG | 176.1° | 179.7° |
CAL | CAK | CAG | CAD | 102.1° | 90.0° |
CAL | CAK | CAG | HAG1 | 136.3° | 29.9° |
CAL | CAK | CAG | HAG2 | 11.2° | 150.0° |
NAS | CAR | NAQ | CAJ | 178.5° | 179.9° |
NAS | CAR | NAQ | CAP | 178.6° | 180.0° |
NAS | CAR | CAJ | NAI | 179.4° | 179.7° |
NAS | CAR | CAJ | CAK | 1.8° | 0.3° |
HAS | NAS | CAR | NAQ | 0.5° | 0.1° |
HAS | NAS | CAR | CAJ | 179.2° | 179.8° |
NAQ | CAR | CAJ | NAI | 0.6° | 0.4° |
NAQ | CAR | CAJ | CAK | 179.5° | 179.8° |
CAR | NAQ | CAP | CAH | 3.0° | 0.1° |
CAR | NAQ | CAP | HAP | 176.9° | 179.9° |
CAJ | CAR | NAQ | CAP | 2.8° | 0.2° |
CAR | CAJ | NAI | CAK | 178.6° | 179.2° |
CAR | CAJ | NAI | CAH | 1.5° | 0.4° |
CAR | CAJ | CAK | CAG | 177.9° | 180.0° |
NAQ | CAP | CAH | NAI | 1.0° | 0.1° |
NAQ | CAP | CAH | HAP | 180.0° | 180.0° |
NAQ | CAP | CAH | HAH | 179.0° | 180.0° |
CAJ | NAI | CAH | CAP | 1.4° | 0.2° |
CAJ | NAI | CAH | HAH | 178.6° | 179.7° |
NAI | CAJ | CAK | CAG | 3.4° | 0.7° |
CAK | CAJ | NAI | CAH | 177.1° | 179.7° |
CAJ | CAK | CAG | CAD | 83.1° | 90.3° |
CAJ | CAK | CAG | HAG1 | 38.5° | 149.7° |
CAJ | CAK | CAG | HAG2 | 163.6° | 29.6° |
NAI | CAH | CAP | HAH | 180.0° | 179.9° |
NAI | CAH | CAP | HAP | 179.0° | 180.0° |
HAH | CAH | CAP | HAP | 1.0° | 0.0° |
CAK | CAG | CAD | HAG1 | 121.6° | 120.0° |
CAK | CAG | CAD | HAG2 | 113.3° | 120.0° |
CAK | CAG | HAG1 | HAG2 | 114.6° | 120.1° |
CAK | CAG | CAD | CAC | 151.1° | 179.9° |
CAK | CAG | CAD | HAD1 | 89.2° | 60.0° |
CAK | CAG | CAD | HAD2 | 30.3° | 60.0° |
CAD | CAG | HAG1 | HAG2 | 114.7° | 119.9° |
CAG | CAD | CAC | HAD1 | 119.7° | 119.9° |
CAG | CAD | CAC | HAD2 | 120.9° | 120.1° |
CAG | CAD | HAD1 | HAD2 | 120.9° | 120.0° |
CAG | CAD | CAC | CAB | 108.0° | 180.0° |
CAG | CAD | CAC | HAC1 | 131.1° | 60.0° |
CAG | CAD | CAC | HAC2 | 8.8° | 59.9° |
HAG1 | CAG | CAD | CAC | 29.5° | 60.1° |
HAG1 | CAG | CAD | HAD1 | 149.2° | 180.0° |
HAG1 | CAG | CAD | HAD2 | 91.4° | 60.0° |
HAG2 | CAG | CAD | CAC | 95.6° | 60.0° |
HAG2 | CAG | CAD | HAD1 | 24.1° | 60.0° |
HAG2 | CAG | CAD | HAD2 | 143.5° | 180.0° |
CAC | CAD | HAD1 | HAD2 | 120.9° | 120.0° |
CAD | CAC | CAB | HAC1 | 120.9° | 120.0° |
CAD | CAC | CAB | HAC2 | 116.9° | 120.1° |
CAD | CAC | HAC1 | HAC2 | 117.3° | 120.0° |
CAD | CAC | CAB | HAB1 | 35.2° | 179.9° |
CAD | CAC | CAB | HAB2 | 155.2° | 60.0° |
CAD | CAC | CAB | HAB3 | 84.8° | 60.0° |
HAD1 | CAD | CAC | CAB | 11.7° | 60.1° |
HAD1 | CAD | CAC | HAC1 | 109.2° | 180.0° |
HAD1 | CAD | CAC | HAC2 | 128.5° | 60.0° |
HAD2 | CAD | CAC | CAB | 131.1° | 60.0° |
HAD2 | CAD | CAC | HAC1 | 10.3° | 60.0° |
HAD2 | CAD | CAC | HAC2 | 112.0° | 180.0° |
CAB | CAC | HAC1 | HAC2 | 117.2° | 119.9° |
CAC | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
CAC | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
CAC | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
HAC1 | CAC | CAB | HAB1 | 85.7° | 60.0° |
HAC1 | CAC | CAB | HAB2 | 34.3° | 60.0° |
HAC1 | CAC | CAB | HAB3 | 154.3° | 180.0° |
HAC2 | CAC | CAB | HAB1 | 152.0° | 60.0° |
HAC2 | CAC | CAB | HAB2 | 88.0° | 180.0° |
HAC2 | CAC | CAB | HAB3 | 32.0° | 60.1° |
HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |