62Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | CAC | sing | 1.38Å | 1.40Å | Aromatic |
CAB | CAG | doub | 1.38Å | 1.41Å | Aromatic |
CAC | CAD | doub | 1.38Å | 1.35Å | Aromatic |
CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
CAD | P | sing | 1.81Å | 1.61Å | |
CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
OAH | P | doub | 1.48Å | 1.41Å | |
OAI | P | sing | 1.61Å | 1.52Å | |
OAK | CAL | sing | 1.36Å | 1.29Å | |
OAK | P | sing | 1.61Å | 1.63Å | |
CAL | CAM | sing | 1.39Å | 1.40Å | Aromatic |
CAL | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
CAM | CAN | doub | 1.38Å | 1.40Å | Aromatic |
CAN | CAO | sing | 1.38Å | 1.38Å | Aromatic |
CAO | CAP | doub | 1.38Å | 1.39Å | Aromatic |
CAP | CAQ | sing | 1.38Å | 1.42Å | Aromatic |
CAP | BR | sing | 1.89Å | 1.95Å | |
CAB | HAB | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
OAI | HAI | sing | 0.97Å | 0.95Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAQ | HAQ | sing | 1.08Å | 1.08Å | |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAO | HAO | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAB | CAG | 120.5° | 120.0° |
CAB | CAC | CAD | 120.5° | 120.0° |
CAC | CAB | HAB | 119.7° | 120.0° |
CAB | CAC | HAC | 119.8° | 119.9° |
CAB | CAG | CAF | 119.4° | 120.0° |
CAG | CAB | HAB | 119.8° | 119.9° |
CAB | CAG | HAG | 120.3° | 120.0° |
CAC | CAD | CAE | 119.3° | 120.0° |
CAC | CAD | P | 121.1° | 120.0° |
CAD | CAC | HAC | 119.8° | 120.0° |
CAE | CAD | P | 119.2° | 120.0° |
CAD | CAE | CAF | 122.4° | 120.0° |
CAD | CAE | HAE | 118.8° | 119.9° |
CAD | P | OAH | 123.2° | 109.5° |
CAD | P | OAI | 102.3° | 109.5° |
CAD | P | OAK | 113.2° | 109.5° |
CAE | CAF | CAG | 117.9° | 120.0° |
CAF | CAE | HAE | 118.8° | 120.0° |
CAE | CAF | HAF | 121.1° | 120.0° |
CAF | CAG | HAG | 120.3° | 120.0° |
CAG | CAF | HAF | 121.1° | 120.0° |
OAH | P | OAI | 102.9° | 109.5° |
OAH | P | OAK | 106.8° | 109.5° |
OAI | P | OAK | 106.5° | 109.5° |
P | OAI | HAI | 109.5° | 114.0° |
CAL | OAK | P | 143.5° | 114.0° |
OAK | CAL | CAM | 117.0° | 120.1° |
OAK | CAL | CAQ | 120.6° | 120.0° |
CAM | CAL | CAQ | 122.2° | 119.9° |
CAL | CAM | CAN | 119.6° | 120.0° |
CAL | CAM | HAM | 120.2° | 120.0° |
CAL | CAQ | CAP | 115.2° | 119.9° |
CAL | CAQ | HAQ | 122.4° | 120.1° |
CAM | CAN | CAO | 120.8° | 120.0° |
CAN | CAM | HAM | 120.2° | 120.0° |
CAM | CAN | HAN | 119.6° | 120.0° |
CAN | CAO | CAP | 117.7° | 120.1° |
CAO | CAN | HAN | 119.6° | 120.0° |
CAN | CAO | HAO | 121.1° | 120.0° |
CAO | CAP | CAQ | 124.5° | 120.0° |
CAO | CAP | BR | 115.6° | 120.0° |
CAP | CAO | HAO | 121.1° | 119.9° |
CAQ | CAP | BR | 119.9° | 120.0° |
CAP | CAQ | HAQ | 122.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAB | CAG | HAB | 180.0° | 179.7° |
CAB | CAC | CAD | HAC | 180.0° | 180.0° |
CAB | CAC | CAD | CAE | 1.4° | 0.0° |
CAB | CAC | CAD | P | 171.5° | 179.9° |
CAC | CAB | CAG | CAF | 1.4° | 0.1° |
CAC | CAB | CAG | HAG | 178.6° | 179.9° |
CAG | CAB | CAC | CAD | 0.8° | NaN° |
CAB | CAG | CAF | CAE | 0.2° | 0.2° |
CAB | CAG | CAF | HAG | 180.0° | 179.8° |
CAG | CAB | CAC | HAC | 179.2° | 180.0° |
CAB | CAG | CAF | HAF | 179.8° | 180.0° |
CAC | CAD | CAE | P | 173.0° | 179.9° |
CAC | CAD | CAE | CAF | 3.0° | 0.1° |
CAC | CAD | P | OAH | 62.7° | 65.0° |
CAC | CAD | P | OAI | 177.3° | 55.0° |
CAC | CAD | P | OAK | 68.5° | 175.0° |
CAD | CAC | CAB | HAB | 179.2° | 179.7° |
CAC | CAD | CAE | HAE | 177.0° | 180.0° |
CAD | CAE | CAF | HAE | 180.0° | 179.9° |
CAD | CAE | CAF | CAG | 2.4° | 0.2° |
CAE | CAD | P | OAH | 110.2° | 115.0° |
CAE | CAD | P | OAI | 4.5° | 124.9° |
CAE | CAD | P | OAK | 118.7° | 4.9° |
CAE | CAD | CAC | HAC | 178.7° | 180.0° |
CAD | CAE | CAF | HAF | 177.6° | 180.0° |
P | CAD | CAE | CAF | 170.0° | 180.0° |
CAD | P | OAH | OAI | 114.3° | 120.0° |
CAD | P | OAH | OAK | 133.7° | 120.0° |
CAD | P | OAI | OAK | 119.1° | 120.0° |
CAD | P | OAK | CAL | 8.9° | 175.0° |
P | CAD | CAC | HAC | 8.5° | 0.0° |
P | CAD | CAE | HAE | 10.0° | 0.0° |
CAD | P | OAI | HAI | 128.8° | 60.0° |
CAE | CAF | CAG | HAF | 180.0° | 179.8° |
CAE | CAF | CAG | HAG | 179.8° | 180.0° |
CAF | CAG | CAB | HAB | 178.6° | 179.6° |
CAG | CAF | CAE | HAE | 177.6° | 179.9° |
OAH | P | OAI | OAK | 112.2° | 120.0° |
OAH | P | OAK | CAL | 147.8° | 55.0° |
OAH | P | OAI | HAI | 0.0° | 180.0° |
OAI | P | OAK | CAL | 102.7° | 65.0° |
OAK | CAL | CAM | CAQ | 174.1° | 179.7° |
OAK | CAL | CAM | CAN | 173.6° | 180.0° |
OAK | CAL | CAQ | CAP | 173.2° | 179.7° |
OAK | CAL | CAM | HAM | 6.4° | 0.1° |
OAK | CAL | CAQ | HAQ | 6.9° | 0.0° |
P | OAK | CAL | CAM | 106.1° | 90.0° |
P | OAK | CAL | CAQ | 79.7° | 90.2° |
OAK | P | OAI | HAI | 112.2° | 60.0° |
CAL | CAM | CAN | HAM | 180.0° | 179.9° |
CAL | CAM | CAN | CAO | 0.4° | 0.0° |
CAM | CAL | CAQ | CAP | 0.8° | 0.6° |
CAM | CAL | CAQ | HAQ | 179.2° | 179.7° |
CAL | CAM | CAN | HAN | 179.6° | 180.0° |
CAQ | CAL | CAM | CAN | 0.6° | 0.3° |
CAL | CAQ | CAP | CAO | 0.1° | 0.5° |
CAL | CAQ | CAP | HAQ | 180.0° | 179.8° |
CAL | CAQ | CAP | BR | 178.3° | 179.7° |
CAQ | CAL | CAM | HAM | 179.5° | 179.8° |
CAM | CAN | CAO | HAN | 180.0° | 180.0° |
CAM | CAN | CAO | CAP | 1.0° | 0.0° |
CAM | CAN | CAO | HAO | 179.0° | 180.0° |
CAN | CAO | CAP | HAO | 180.0° | 180.0° |
CAN | CAO | CAP | CAQ | 0.8° | 0.3° |
CAN | CAO | CAP | BR | 177.5° | 179.9° |
CAO | CAN | CAM | HAM | 179.6° | 180.0° |
CAO | CAP | CAQ | BR | 178.3° | 179.8° |
CAO | CAP | CAQ | HAQ | 179.9° | 179.7° |
CAP | CAO | CAN | HAN | 179.0° | 180.0° |
CAQ | CAP | CAO | HAO | 179.2° | 179.7° |
BR | CAP | CAQ | HAQ | 1.6° | 0.1° |
BR | CAP | CAO | HAO | 2.5° | 0.1° |
HAB | CAB | CAC | HAC | 0.8° | 0.3° |
HAB | CAB | CAG | HAG | 1.4° | 0.2° |
HAG | CAG | CAF | HAF | 0.2° | 0.2° |
HAE | CAE | CAF | HAF | 2.4° | 0.1° |
HAM | CAM | CAN | HAN | 0.4° | 0.1° |
HAN | CAN | CAO | HAO | 1.0° | 0.0° |