HQ2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAH | NAA | doub | 1.34Å | 1.35Å | Aromatic |
NAA | CAL | sing | 1.31Å | 1.32Å | Aromatic |
CAN | NAB | sing | 1.47Å | 1.47Å | |
CAK | NAB | sing | 1.39Å | 1.35Å | |
NAB | CAQ | sing | 1.47Å | 1.47Å | |
CAO | NAC | sing | 1.47Å | 1.48Å | |
NAC | CAP | sing | 1.47Å | 1.48Å | |
NAC | HNAC | sing | 1.01Å | 1.00Å | |
CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAD | CAI | doub | 1.38Å | 1.38Å | Aromatic |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAE | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAM | CAF | sing | 1.47Å | 1.52Å | |
CAF | CAG | sing | 1.46Å | 1.40Å | Aromatic |
CAG | CAJ | doub | 1.40Å | 1.41Å | Aromatic |
CAG | CAH | sing | 1.41Å | 1.41Å | Aromatic |
CAI | CAH | sing | 1.41Å | 1.42Å | Aromatic |
CAI | OAR | sing | 1.36Å | 1.37Å | |
CAJ | CAK | sing | 1.39Å | 1.40Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | CAL | doub | 1.40Å | 1.40Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
OAS | CAM | doub | 1.21Å | 1.25Å | |
CAM | OAT | sing | 1.35Å | 1.25Å | |
CAN | CAO | sing | 1.53Å | 1.54Å | |
CAN | HAN | sing | 1.09Å | 1.10Å | |
CAN | HANA | sing | 1.09Å | 1.10Å | |
CAO | HAO | sing | 1.09Å | 1.10Å | |
CAO | HAOA | sing | 1.09Å | 1.10Å | |
CAQ | CAP | sing | 1.53Å | 1.54Å | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
CAP | HAPA | sing | 1.09Å | 1.10Å | |
CAQ | HAQ | sing | 1.09Å | 1.10Å | |
CAQ | HAQA | sing | 1.09Å | 1.10Å | |
OAR | HOAR | sing | 0.97Å | 0.95Å | |
OAT | HOAT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAH | NAA | CAL | 124.1° | 121.6° |
NAA | CAH | CAG | 118.2° | 120.0° |
NAA | CAH | CAI | 121.5° | 120.9° |
NAA | CAL | CAK | 120.6° | 121.6° |
NAA | CAL | HAL | 119.7° | 119.2° |
CAN | NAB | CAK | 118.3° | 111.0° |
CAN | NAB | CAQ | 111.6° | 110.9° |
NAB | CAN | CAO | 109.4° | 109.4° |
NAB | CAN | HAN | 109.5° | 109.5° |
NAB | CAN | HANA | 109.5° | 109.4° |
CAK | NAB | CAQ | 115.4° | 111.0° |
NAB | CAK | CAJ | 123.8° | 120.2° |
NAB | CAK | CAL | 118.0° | 120.3° |
NAB | CAQ | CAP | 108.1° | 109.4° |
NAB | CAQ | HAQ | 109.9° | 109.5° |
NAB | CAQ | HAQA | 110.0° | 109.6° |
CAO | NAC | CAP | 112.1° | 110.9° |
CAO | NAC | HNAC | 108.6° | 111.0° |
NAC | CAO | CAN | 110.8° | 109.3° |
NAC | CAO | HAO | 109.0° | 109.5° |
NAC | CAO | HAOA | 109.0° | 109.5° |
CAP | NAC | HNAC | 108.6° | 111.0° |
NAC | CAP | CAQ | 110.4° | 109.4° |
NAC | CAP | HAP | 109.1° | 109.5° |
NAC | CAP | HAPA | 109.2° | 109.5° |
CAE | CAD | CAI | 119.7° | 121.7° |
CAE | CAD | HAD | 120.2° | 119.1° |
CAD | CAE | CAF | 121.2° | 120.6° |
CAD | CAE | HAE | 119.4° | 119.8° |
CAI | CAD | HAD | 120.2° | 119.2° |
CAD | CAI | CAH | 119.8° | 120.5° |
CAD | CAI | OAR | 119.6° | 119.7° |
CAF | CAE | HAE | 119.4° | 119.7° |
CAE | CAF | CAM | 119.4° | 120.6° |
CAE | CAF | CAG | 120.5° | 118.8° |
CAM | CAF | CAG | 120.1° | 120.6° |
CAF | CAM | OAS | 115.9° | 120.0° |
CAF | CAM | OAT | 118.3° | 120.0° |
CAF | CAG | CAJ | 122.1° | 121.4° |
CAF | CAG | CAH | 118.4° | 119.2° |
CAJ | CAG | CAH | 119.5° | 119.4° |
CAG | CAJ | CAK | 119.3° | 117.9° |
CAG | CAJ | HAJ | 120.3° | 121.1° |
CAG | CAH | CAI | 120.4° | 119.1° |
CAH | CAI | OAR | 120.6° | 119.7° |
CAI | OAR | HOAR | 109.5° | 113.9° |
CAK | CAJ | HAJ | 120.4° | 121.0° |
CAJ | CAK | CAL | 118.2° | 119.5° |
CAK | CAL | HAL | 119.7° | 119.2° |
OAS | CAM | OAT | 125.8° | 120.0° |
CAM | OAT | HOAT | 109.5° | 117.0° |
CAO | CAN | HAN | 109.5° | 109.5° |
CAO | CAN | HANA | 109.5° | 109.5° |
CAN | CAO | HAO | 109.0° | 109.5° |
CAN | CAO | HAOA | 109.0° | 109.4° |
HAN | CAN | HANA | 109.5° | 109.5° |
HAO | CAO | HAOA | 109.9° | 109.6° |
CAQ | CAP | HAP | 109.1° | 109.5° |
CAQ | CAP | HAPA | 109.1° | 109.5° |
CAP | CAQ | HAQ | 110.0° | 109.4° |
CAP | CAQ | HAQA | 109.9° | 109.5° |
HAP | CAP | HAPA | 109.8° | 109.5° |
HAQ | CAQ | HAQA | 109.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAA | CAH | CAI | CAD | 179.9° | 179.9° |
NAA | CAH | CAG | CAF | 179.3° | 180.0° |
NAA | CAH | CAG | CAJ | 1.6° | 0.1° |
NAA | CAH | CAG | CAI | 180.0° | 180.0° |
NAA | CAH | CAI | OAR | 0.2° | 0.0° |
CAH | NAA | CAL | CAK | 0.4° | 0.1° |
CAH | NAA | CAL | HAL | 179.5° | 180.0° |
NAA | CAL | CAK | NAB | 179.6° | 179.9° |
CAL | NAA | CAH | CAG | 0.9° | 0.1° |
CAL | NAA | CAH | CAI | 179.2° | 179.9° |
NAA | CAL | CAK | CAJ | 0.7° | 0.2° |
NAA | CAL | CAK | HAL | 180.0° | 179.9° |
CAN | NAB | CAK | CAQ | 135.9° | 123.9° |
NAB | CAN | CAO | NAC | 55.0° | 58.4° |
CAN | NAB | CAK | CAJ | 2.1° | 56.2° |
CAN | NAB | CAK | CAL | 179.1° | 123.9° |
NAB | CAN | CAO | HAN | 120.0° | 120.0° |
NAB | CAN | CAO | HANA | 120.0° | 119.9° |
NAB | CAN | HAN | HANA | 120.0° | 120.0° |
NAB | CAN | CAO | HAO | 175.0° | 178.3° |
NAB | CAN | CAO | HAOA | 65.0° | 61.6° |
CAN | NAB | CAQ | CAP | 61.3° | 59.3° |
CAN | NAB | CAQ | HAQ | 58.7° | 60.7° |
CAN | NAB | CAQ | HAQA | 178.7° | 179.3° |
NAB | CAK | CAJ | CAG | 179.8° | 179.9° |
NAB | CAK | CAJ | CAL | 178.8° | 179.9° |
NAB | CAK | CAJ | HAJ | 0.2° | 0.0° |
NAB | CAK | CAL | HAL | 0.4° | 0.0° |
CAK | NAB | CAN | CAO | 162.6° | 176.8° |
CAK | NAB | CAN | HAN | 42.6° | 56.8° |
CAK | NAB | CAN | HANA | 77.4° | 63.3° |
CAK | NAB | CAQ | CAP | 159.9° | 176.8° |
CAK | NAB | CAQ | HAQ | 80.1° | 63.3° |
CAK | NAB | CAQ | HAQA | 39.9° | 56.8° |
NAB | CAQ | CAP | NAC | 58.4° | 58.4° |
CAQ | NAB | CAK | CAJ | 138.1° | 180.0° |
CAQ | NAB | CAK | CAL | 43.2° | 0.1° |
CAQ | NAB | CAN | CAO | 59.9° | 59.3° |
CAQ | NAB | CAN | HAN | 179.9° | 179.3° |
CAQ | NAB | CAN | HANA | 60.1° | 60.6° |
NAB | CAQ | CAP | HAQ | 120.0° | 120.0° |
NAB | CAQ | CAP | HAQA | 120.0° | 120.0° |
NAB | CAQ | CAP | HAP | 61.6° | 61.6° |
NAB | CAQ | CAP | HAPA | 178.4° | 178.3° |
NAB | CAQ | HAQ | HAQA | 120.6° | 120.1° |
CAO | NAC | CAP | HNAC | 120.0° | 123.8° |
NAC | CAO | CAN | HAO | 120.0° | 120.0° |
NAC | CAO | CAN | HAOA | 120.0° | 120.0° |
NAC | CAO | CAN | HAN | 175.0° | 178.4° |
NAC | CAO | CAN | HANA | 64.9° | 61.5° |
NAC | CAO | HAO | HAOA | 119.4° | 120.1° |
CAO | NAC | CAP | CAQ | 56.4° | 59.4° |
CAO | NAC | CAP | HAP | 63.6° | 60.6° |
CAO | NAC | CAP | HAPA | 176.3° | 179.3° |
CAP | NAC | CAO | CAN | 54.4° | 59.3° |
CAP | NAC | CAO | HAO | 174.4° | 179.3° |
CAP | NAC | CAO | HAOA | 65.6° | 60.6° |
NAC | CAP | CAQ | HAP | 120.0° | 120.0° |
NAC | CAP | CAQ | HAPA | 120.0° | 119.9° |
NAC | CAP | HAP | HAPA | 119.6° | 120.1° |
NAC | CAP | CAQ | HAQ | 61.6° | 61.6° |
NAC | CAP | CAQ | HAQA | 178.4° | 178.4° |
HNAC | NAC | CAO | CAN | 174.4° | 176.9° |
HNAC | NAC | CAO | HAO | 65.6° | 56.9° |
HNAC | NAC | CAO | HAOA | 54.4° | 63.2° |
HNAC | NAC | CAP | CAQ | 176.4° | 176.8° |
HNAC | NAC | CAP | HAP | 56.4° | 63.2° |
HNAC | NAC | CAP | HAPA | 63.7° | 56.9° |
CAE | CAD | CAI | HAD | 180.0° | 180.0° |
CAD | CAE | CAF | HAE | 180.0° | 179.9° |
CAD | CAE | CAF | CAM | 179.8° | 179.9° |
CAD | CAE | CAF | CAG | 0.8° | 0.1° |
CAE | CAD | CAI | CAH | 0.1° | 0.0° |
CAE | CAD | CAI | OAR | 179.9° | 179.9° |
CAI | CAD | CAE | CAF | 0.2° | 0.0° |
CAI | CAD | CAE | HAE | 179.8° | 180.0° |
CAD | CAI | CAH | CAG | 0.1° | 0.1° |
CAD | CAI | CAH | OAR | 180.0° | 179.9° |
CAD | CAI | OAR | HOAR | 180.0° | 90.0° |
HAD | CAD | CAE | CAF | 179.8° | 180.0° |
HAD | CAD | CAE | HAE | 0.2° | 0.0° |
HAD | CAD | CAI | CAH | 179.8° | 180.0° |
HAD | CAD | CAI | OAR | 0.1° | 0.0° |
CAE | CAF | CAM | CAG | 179.0° | 180.0° |
CAE | CAF | CAG | CAJ | 178.7° | 180.0° |
CAE | CAF | CAG | CAH | 1.1° | 0.1° |
CAE | CAF | CAM | OAS | 20.9° | 174.3° |
CAE | CAF | CAM | OAT | 159.8° | 5.7° |
HAE | CAE | CAF | CAM | 0.2° | 0.0° |
HAE | CAE | CAF | CAG | 179.2° | 180.0° |
CAM | CAF | CAG | CAJ | 2.3° | 0.1° |
CAM | CAF | CAG | CAH | 179.9° | 180.0° |
CAF | CAM | OAS | OAT | 179.2° | 180.0° |
CAF | CAM | OAT | HOAT | 179.2° | 180.0° |
CAF | CAG | CAJ | CAH | 177.6° | 179.9° |
CAF | CAG | CAH | CAI | 0.8° | 0.0° |
CAF | CAG | CAJ | CAK | 179.5° | 179.9° |
CAF | CAG | CAJ | HAJ | 0.5° | 0.0° |
CAG | CAF | CAM | OAS | 158.0° | 5.7° |
CAG | CAF | CAM | OAT | 21.2° | 174.3° |
CAJ | CAG | CAH | CAI | 178.5° | 179.9° |
CAG | CAJ | CAK | HAJ | 180.0° | 179.9° |
CAG | CAJ | CAK | CAL | 1.4° | 0.2° |
CAG | CAH | CAI | OAR | 179.8° | 180.0° |
CAH | CAG | CAJ | CAK | 1.9° | 0.2° |
CAH | CAG | CAJ | HAJ | 178.1° | 179.9° |
CAH | CAI | OAR | HOAR | 0.1° | 90.1° |
CAJ | CAK | CAL | HAL | 179.3° | 179.9° |
HAJ | CAJ | CAK | CAL | 178.6° | 179.9° |
OAS | CAM | OAT | HOAT | 0.0° | 0.0° |
CAO | CAN | HAN | HANA | 120.1° | 120.1° |
CAN | CAO | HAO | HAOA | 119.5° | 120.0° |
HAN | CAN | CAO | HAO | 65.0° | 61.7° |
HAN | CAN | CAO | HAOA | 55.0° | 58.4° |
HANA | CAN | CAO | HAO | 55.1° | 58.4° |
HANA | CAN | CAO | HAOA | 175.1° | 178.5° |
CAQ | CAP | HAP | HAPA | 119.6° | 120.0° |
CAP | CAQ | HAQ | HAQA | 120.6° | 120.0° |
HAP | CAP | CAQ | HAQ | 178.4° | 178.4° |
HAP | CAP | CAQ | HAQA | 58.4° | 58.4° |
HAPA | CAP | CAQ | HAQ | 58.4° | 58.4° |
HAPA | CAP | CAQ | HAQA | 61.6° | 61.6° |