43P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAQ | CAF | sing | 1.36Å | 1.36Å | |
OAQ | HAQ | sing | 0.97Å | 0.95Å | |
CAF | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
CAF | CAC | sing | 1.40Å | 1.39Å | Aromatic |
CAJ | CAL | sing | 1.39Å | 1.39Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.10Å | |
CAL | OAR | sing | 1.36Å | 1.36Å | |
CAL | CAM | doub | 1.39Å | 1.39Å | Aromatic |
OAR | HAR | sing | 0.97Å | 0.95Å | |
CAM | CAS | sing | 1.51Å | 1.53Å | |
CAM | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAS | CAT | sing | 1.53Å | 1.53Å | |
CAS | HAS1 | sing | 1.09Å | 1.11Å | |
CAS | HAS2 | sing | 1.09Å | 1.12Å | |
CAT | HAT1 | sing | 1.09Å | 1.11Å | |
CAT | HAT2 | sing | 1.09Å | 1.11Å | |
CAT | HAT3 | sing | 1.09Å | 1.12Å | |
CAG | CAC | doub | 1.39Å | 1.39Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.10Å | |
CAC | CAB | sing | 1.48Å | 1.40Å | Aromatic |
CAB | NAE | doub | 1.32Å | 1.33Å | Aromatic |
CAB | CAA | sing | 1.42Å | 1.39Å | Aromatic |
NAE | NAI | sing | 1.40Å | 1.23Å | Aromatic |
NAI | CAK | sing | 1.35Å | 1.33Å | Aromatic |
NAI | HAI | sing | 0.97Å | 1.02Å | |
CAK | CAA | doub | 1.36Å | 1.33Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.10Å | |
CAA | CAD | sing | 1.48Å | 1.39Å | Aromatic |
CAD | CAP | doub | 1.36Å | 1.33Å | Aromatic |
CAD | NAH | sing | 1.35Å | 1.33Å | Aromatic |
CAP | NAN | sing | 1.37Å | 1.33Å | Aromatic |
CAP | HAP | sing | 1.08Å | 1.10Å | |
NAN | CAO | sing | 1.35Å | 1.33Å | Aromatic |
NAN | HAN | sing | 0.97Å | 1.02Å | |
CAO | NAH | doub | 1.30Å | 1.33Å | Aromatic |
CAO | HAO | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAF | OAQ | HAQ | 118.3° | 106.8° |
OAQ | CAF | CAJ | 118.3° | 120.1° |
OAQ | CAF | CAC | 120.9° | 120.1° |
CAJ | CAF | CAC | 120.8° | 119.9° |
CAF | CAJ | CAL | 120.1° | 120.0° |
CAF | CAJ | HAJ | 120.0° | 120.0° |
CAF | CAC | CAG | 118.4° | 119.8° |
CAF | CAC | CAB | 119.9° | 120.1° |
CAL | CAJ | HAJ | 119.9° | 120.0° |
CAJ | CAL | OAR | 119.3° | 119.9° |
CAJ | CAL | CAM | 119.8° | 120.2° |
OAR | CAL | CAM | 120.7° | 119.9° |
CAL | OAR | HAR | 119.4° | 106.8° |
CAL | CAM | CAS | 122.2° | 119.9° |
CAL | CAM | CAG | 119.2° | 120.2° |
CAS | CAM | CAG | 118.1° | 119.9° |
CAM | CAS | CAT | 111.2° | 109.4° |
CAM | CAS | HAS1 | 111.6° | 109.5° |
CAM | CAS | HAS2 | 111.6° | 109.5° |
CAM | CAG | CAC | 121.6° | 120.0° |
CAM | CAG | HAG | 119.3° | 120.0° |
CAT | CAS | HAS1 | 111.6° | 109.5° |
CAT | CAS | HAS2 | 111.6° | 109.5° |
CAS | CAT | HAT1 | 111.6° | 109.5° |
CAS | CAT | HAT2 | 111.2° | 109.5° |
CAS | CAT | HAT3 | 111.6° | 109.5° |
HAS1 | CAS | HAS2 | 98.8° | 109.5° |
HAT1 | CAT | HAT2 | 111.6° | 109.5° |
HAT1 | CAT | HAT3 | 98.8° | 109.4° |
HAT2 | CAT | HAT3 | 111.5° | 109.5° |
CAC | CAG | HAG | 119.1° | 120.0° |
CAG | CAC | CAB | 121.6° | 120.1° |
CAC | CAB | NAE | 126.2° | 126.1° |
CAC | CAB | CAA | 128.3° | 126.0° |
NAE | CAB | CAA | 105.5° | 107.8° |
CAB | NAE | NAI | 110.8° | 108.4° |
CAB | CAA | CAK | 105.3° | 107.5° |
CAB | CAA | CAD | 128.7° | 126.2° |
NAE | NAI | CAK | 110.2° | 108.4° |
NAE | NAI | HAI | 121.9° | 125.8° |
CAK | NAI | HAI | 127.9° | 125.8° |
NAI | CAK | CAA | 108.2° | 107.8° |
NAI | CAK | HAK | 125.9° | 126.1° |
CAA | CAK | HAK | 125.9° | 126.1° |
CAK | CAA | CAD | 125.8° | 126.2° |
CAA | CAD | CAP | 125.3° | 126.2° |
CAA | CAD | NAH | 127.9° | 126.1° |
CAP | CAD | NAH | 106.8° | 107.7° |
CAD | CAP | NAN | 108.8° | 106.7° |
CAD | CAP | HAP | 125.7° | 126.6° |
CAD | NAH | CAO | 109.2° | 109.2° |
NAN | CAP | HAP | 125.6° | 126.7° |
CAP | NAN | CAO | 108.0° | 107.4° |
CAP | NAN | HAN | 126.0° | 126.3° |
CAO | NAN | HAN | 126.0° | 126.3° |
NAN | CAO | NAH | 107.3° | 109.0° |
NAN | CAO | HAO | 126.3° | 125.5° |
NAH | CAO | HAO | 126.4° | 125.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAQ | CAF | CAJ | CAC | 179.0° | 180.0° |
OAQ | CAF | CAJ | CAL | 177.7° | 179.7° |
OAQ | CAF | CAJ | HAJ | 2.3° | 0.0° |
OAQ | CAF | CAC | CAG | 177.1° | 179.9° |
OAQ | CAF | CAC | CAB | 2.1° | 0.0° |
HAQ | OAQ | CAF | CAJ | 180.0° | 90.0° |
HAQ | OAQ | CAF | CAC | 1.0° | 90.1° |
CAF | CAJ | CAL | HAJ | 180.0° | 179.7° |
CAF | CAJ | CAL | OAR | 174.0° | 180.0° |
CAF | CAJ | CAL | CAM | 1.4° | 0.6° |
CAJ | CAF | CAC | CAG | 1.9° | 0.1° |
CAJ | CAF | CAC | CAB | 178.9° | 180.0° |
CAC | CAF | CAJ | CAL | 1.3° | 0.3° |
CAC | CAF | CAJ | HAJ | 178.7° | 179.9° |
CAF | CAC | CAG | CAM | 0.2° | 0.1° |
CAF | CAC | CAG | CAB | 179.1° | 179.9° |
CAF | CAC | CAG | HAG | 179.8° | 180.0° |
CAF | CAC | CAB | NAE | 66.9° | 47.2° |
CAF | CAC | CAB | CAA | 114.0° | 132.5° |
CAJ | CAL | OAR | CAM | 175.3° | 179.4° |
CAJ | CAL | OAR | HAR | 180.0° | 89.9° |
CAJ | CAL | CAM | CAS | 168.5° | 179.7° |
CAJ | CAL | CAM | CAG | 3.5° | 0.6° |
HAJ | CAJ | CAL | OAR | 6.0° | 0.3° |
HAJ | CAJ | CAL | CAM | 178.6° | 179.7° |
OAR | CAL | CAM | CAS | 16.1° | 0.3° |
OAR | CAL | CAM | CAG | 171.8° | 180.0° |
CAM | CAL | OAR | HAR | 4.7° | 90.6° |
CAL | CAM | CAS | CAG | 172.1° | 179.6° |
CAL | CAM | CAS | CAT | 73.7° | 90.3° |
CAL | CAM | CAS | HAS1 | 51.6° | 149.7° |
CAL | CAM | CAS | HAS2 | 161.1° | 29.7° |
CAL | CAM | CAG | CAC | 2.9° | 0.4° |
CAL | CAM | CAG | HAG | 177.1° | 179.7° |
CAM | CAS | CAT | HAS1 | 125.3° | 120.0° |
CAM | CAS | CAT | HAS2 | 125.3° | 120.0° |
CAM | CAS | HAS1 | HAS2 | 117.5° | 120.0° |
CAM | CAS | CAT | HAT1 | 54.7° | 180.0° |
CAM | CAS | CAT | HAT2 | 180.0° | 60.0° |
CAM | CAS | CAT | HAT3 | 54.7° | 60.1° |
CAS | CAM | CAG | CAC | 169.4° | 180.0° |
CAS | CAM | CAG | HAG | 10.6° | 0.1° |
CAG | CAM | CAS | CAT | 98.4° | 90.0° |
CAG | CAM | CAS | HAS1 | 136.3° | 29.9° |
CAG | CAM | CAS | HAS2 | 26.8° | 149.9° |
CAM | CAG | CAC | HAG | 180.0° | 179.9° |
CAM | CAG | CAC | CAB | 178.9° | 180.0° |
CAT | CAS | HAS1 | HAS2 | 117.5° | 120.0° |
CAS | CAT | HAT1 | HAT2 | 125.1° | 120.0° |
CAS | CAT | HAT1 | HAT3 | 117.5° | 120.0° |
CAS | CAT | HAT2 | HAT3 | 125.3° | 120.1° |
HAS1 | CAS | CAT | HAT1 | 180.0° | 60.0° |
HAS1 | CAS | CAT | HAT2 | 54.7° | 59.9° |
HAS1 | CAS | CAT | HAT3 | 70.5° | 180.0° |
HAS2 | CAS | CAT | HAT1 | 70.5° | 60.0° |
HAS2 | CAS | CAT | HAT2 | 54.8° | 180.0° |
HAS2 | CAS | CAT | HAT3 | 180.0° | 59.9° |
HAT1 | CAT | HAT2 | HAT3 | 109.5° | 119.9° |
CAG | CAC | CAB | NAE | 112.2° | 132.7° |
CAG | CAC | CAB | CAA | 66.9° | 47.6° |
HAG | CAG | CAC | CAB | 1.1° | 0.1° |
CAC | CAB | NAE | CAA | 179.3° | 179.8° |
CAC | CAB | NAE | NAI | 179.6° | 180.0° |
CAC | CAB | CAA | CAK | 179.1° | 179.9° |
CAC | CAB | CAA | CAD | 5.9° | 0.2° |
CAB | NAE | NAI | CAK | 0.7° | 0.1° |
CAB | NAE | NAI | HAI | 179.3° | 180.0° |
NAE | CAB | CAA | CAK | 0.1° | 0.4° |
NAE | CAB | CAA | CAD | 174.9° | 180.0° |
CAA | CAB | NAE | NAI | 0.4° | 0.3° |
CAB | CAA | CAK | NAI | 0.5° | 0.3° |
CAB | CAA | CAK | CAD | 175.2° | 179.6° |
CAB | CAA | CAK | HAK | 179.5° | 179.8° |
CAB | CAA | CAD | CAP | 165.8° | 133.3° |
CAB | CAA | CAD | NAH | 17.0° | 47.0° |
NAE | NAI | CAK | HAI | 180.0° | 179.9° |
NAE | NAI | CAK | CAA | 0.7° | 0.2° |
NAE | NAI | CAK | HAK | 179.2° | 179.9° |
NAI | CAK | CAA | HAK | 180.0° | 179.9° |
NAI | CAK | CAA | CAD | 174.7° | 180.0° |
HAI | NAI | CAK | CAA | 179.2° | 179.7° |
HAI | NAI | CAK | HAK | 0.8° | 0.2° |
CAK | CAA | CAD | CAP | 20.2° | 46.2° |
CAK | CAA | CAD | NAH | 157.0° | 133.4° |
HAK | CAK | CAA | CAD | 5.3° | 0.1° |
CAA | CAD | CAP | NAH | 177.7° | 179.7° |
CAA | CAD | CAP | NAN | 177.4° | 180.0° |
CAA | CAD | CAP | HAP | 2.6° | 0.1° |
CAA | CAD | NAH | CAO | 177.4° | 179.9° |
CAD | CAP | NAN | HAP | 180.0° | 179.9° |
CAD | CAP | NAN | CAO | 0.3° | 0.1° |
CAD | CAP | NAN | HAN | 179.6° | 180.0° |
CAP | CAD | NAH | CAO | 0.2° | 0.4° |
NAH | CAD | CAP | NAN | 0.3° | 0.3° |
NAH | CAD | CAP | HAP | 179.7° | 179.8° |
CAD | NAH | CAO | NAN | 0.0° | 0.4° |
CAD | NAH | CAO | HAO | 180.0° | 179.8° |
CAP | NAN | CAO | HAN | 180.0° | 179.9° |
CAP | NAN | CAO | NAH | 0.2° | 0.2° |
CAP | NAN | CAO | HAO | 179.8° | 180.0° |
HAP | CAP | NAN | CAO | 179.7° | 180.0° |
HAP | CAP | NAN | HAN | 0.3° | 0.2° |
NAN | CAO | NAH | HAO | 180.0° | 179.8° |
HAN | NAN | CAO | NAH | 179.8° | 179.7° |
HAN | NAN | CAO | HAO | 0.2° | 0.1° |