DGR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAN | sing | 1.35Å | 1.23Å | |
CAN | OAD | doub | 1.21Å | 1.22Å | |
CAN | CAE | sing | 1.48Å | 1.58Å | |
CAE | CAF | doub | 1.34Å | 1.49Å | |
CAF | CAO | sing | 1.48Å | 1.51Å | |
CAO | OAB | doub | 1.22Å | 1.19Å | |
CAO | NAL | sing | 1.35Å | 1.42Å | |
NAL | NAM | sing | 1.40Å | 1.40Å | |
NAM | CAP | sing | 1.35Å | 1.42Å | |
CAP | OAC | doub | 1.22Å | 1.19Å | |
CAP | CAQ | sing | 1.48Å | 1.52Å | |
CAQ | CAI | sing | 1.40Å | 1.38Å | Aromatic |
CAQ | CAJ | doub | 1.40Å | 1.43Å | Aromatic |
CAI | CAG | doub | 1.38Å | 1.40Å | Aromatic |
CAG | CAH | sing | 1.38Å | 1.40Å | Aromatic |
CAH | NAK | doub | 1.32Å | 1.36Å | Aromatic |
NAK | CAJ | sing | 1.32Å | 1.36Å | Aromatic |
OAA | HAA | sing | 0.97Å | 0.95Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
NAL | HAL | sing | 0.97Å | 1.00Å | |
NAM | HAM | sing | 0.97Å | 1.00Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAN | OAD | 129.5° | 120.0° |
OAA | CAN | CAE | 115.1° | 120.0° |
CAN | OAA | HAA | 109.5° | 117.0° |
OAD | CAN | CAE | 115.4° | 120.0° |
CAN | CAE | CAF | 116.7° | 120.0° |
CAN | CAE | HAE | 121.6° | 119.9° |
CAE | CAF | CAO | 111.7° | 120.0° |
CAF | CAE | HAE | 121.6° | 120.0° |
CAE | CAF | HAF | 124.1° | 120.0° |
CAF | CAO | OAB | 123.9° | 120.0° |
CAF | CAO | NAL | 117.4° | 120.0° |
CAO | CAF | HAF | 124.2° | 120.0° |
OAB | CAO | NAL | 118.7° | 120.0° |
CAO | NAL | NAM | 127.0° | 120.0° |
CAO | NAL | HAL | 116.5° | 120.0° |
NAL | NAM | CAP | 116.0° | 120.0° |
NAM | NAL | HAL | 116.5° | 120.0° |
NAL | NAM | HAM | 122.0° | 120.0° |
NAM | CAP | OAC | 122.4° | 119.9° |
NAM | CAP | CAQ | 121.7° | 120.1° |
CAP | NAM | HAM | 122.0° | 119.9° |
OAC | CAP | CAQ | 115.8° | 120.0° |
CAP | CAQ | CAI | 120.8° | 120.6° |
CAP | CAQ | CAJ | 122.5° | 120.5° |
CAI | CAQ | CAJ | 116.7° | 118.9° |
CAQ | CAI | CAG | 120.3° | 118.3° |
CAQ | CAI | HAI | 119.8° | 120.9° |
CAQ | CAJ | NAK | 124.2° | 120.6° |
CAQ | CAJ | HAJ | 117.9° | 119.7° |
CAI | CAG | CAH | 119.2° | 119.3° |
CAG | CAI | HAI | 119.8° | 120.9° |
CAI | CAG | HAG | 120.4° | 120.3° |
CAG | CAH | NAK | 122.2° | 121.1° |
CAH | CAG | HAG | 120.4° | 120.4° |
CAG | CAH | HAH | 118.9° | 119.4° |
CAH | NAK | CAJ | 117.3° | 121.9° |
NAK | CAH | HAH | 118.9° | 119.5° |
NAK | CAJ | HAJ | 117.9° | 119.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAN | OAD | CAE | 178.7° | 179.9° |
OAA | CAN | CAE | CAF | 22.3° | 180.0° |
OAA | CAN | CAE | HAE | 157.6° | 0.1° |
OAD | CAN | CAE | CAF | 158.8° | 0.1° |
OAD | CAN | OAA | HAA | 0.0° | 0.1° |
OAD | CAN | CAE | HAE | 21.2° | 180.0° |
CAN | CAE | CAF | HAE | 180.0° | 179.9° |
CAN | CAE | CAF | CAO | 177.4° | 180.0° |
CAE | CAN | OAA | HAA | 178.7° | 180.0° |
CAN | CAE | CAF | HAF | 2.6° | 0.0° |
CAE | CAF | CAO | HAF | 180.0° | 180.0° |
CAE | CAF | CAO | OAB | 54.5° | 0.1° |
CAE | CAF | CAO | NAL | 122.1° | 180.0° |
CAF | CAO | OAB | NAL | 176.6° | 179.9° |
CAF | CAO | NAL | NAM | 179.6° | 180.0° |
CAO | CAF | CAE | HAE | 2.6° | 0.1° |
CAF | CAO | NAL | HAL | 0.3° | 0.0° |
OAB | CAO | NAL | NAM | 3.6° | 0.1° |
OAB | CAO | CAF | HAF | 125.5° | 179.9° |
OAB | CAO | NAL | HAL | 176.4° | 179.9° |
CAO | NAL | NAM | HAL | 180.0° | 180.0° |
CAO | NAL | NAM | CAP | 129.0° | 180.0° |
NAL | CAO | CAF | HAF | 57.9° | 0.0° |
CAO | NAL | NAM | HAM | 51.0° | 0.1° |
NAL | NAM | CAP | HAM | 180.0° | 179.9° |
NAL | NAM | CAP | OAC | 2.8° | 0.0° |
NAL | NAM | CAP | CAQ | 179.7° | 180.0° |
NAM | CAP | OAC | CAQ | 177.7° | 180.0° |
NAM | CAP | CAQ | CAI | 123.9° | 180.0° |
NAM | CAP | CAQ | CAJ | 57.9° | 0.2° |
CAP | NAM | NAL | HAL | 51.0° | 0.0° |
OAC | CAP | CAQ | CAI | 53.8° | 0.0° |
OAC | CAP | CAQ | CAJ | 124.4° | 179.8° |
OAC | CAP | NAM | HAM | 177.3° | 179.9° |
CAP | CAQ | CAI | CAJ | 178.4° | 179.8° |
CAP | CAQ | CAI | CAG | 179.8° | 180.0° |
CAP | CAQ | CAJ | NAK | 179.2° | 179.6° |
CAQ | CAP | NAM | HAM | 0.2° | 0.1° |
CAP | CAQ | CAI | HAI | 0.2° | 0.0° |
CAP | CAQ | CAJ | HAJ | 0.8° | 0.0° |
CAQ | CAI | CAG | HAI | 180.0° | 180.0° |
CAQ | CAI | CAG | CAH | 0.8° | 0.0° |
CAI | CAQ | CAJ | NAK | 0.8° | 0.6° |
CAI | CAQ | CAJ | HAJ | 179.2° | 179.8° |
CAQ | CAI | CAG | HAG | 179.2° | 180.0° |
CAJ | CAQ | CAI | CAG | 1.4° | 0.3° |
CAQ | CAJ | NAK | CAH | 0.3° | 0.7° |
CAQ | CAJ | NAK | HAJ | 180.0° | 179.7° |
CAJ | CAQ | CAI | HAI | 178.6° | 179.8° |
CAI | CAG | CAH | HAG | 180.0° | 180.0° |
CAI | CAG | CAH | NAK | 0.4° | 0.1° |
CAI | CAG | CAH | HAH | 179.6° | 180.0° |
CAG | CAH | NAK | HAH | 180.0° | 179.9° |
CAG | CAH | NAK | CAJ | 0.9° | 0.4° |
CAH | CAG | CAI | HAI | 179.1° | 180.0° |
CAH | NAK | CAJ | HAJ | 179.7° | 179.7° |
NAK | CAH | CAG | HAG | 179.6° | 179.9° |
CAJ | NAK | CAH | HAH | 179.1° | 179.6° |
HAE | CAE | CAF | HAF | 177.4° | 179.9° |
HAL | NAL | NAM | HAM | 129.0° | 179.9° |
HAI | CAI | CAG | HAG | 0.9° | 0.0° |
HAG | CAG | CAH | HAH | 0.4° | 0.0° |