RLM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAI | CAN | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAN | CLC | sing | 1.74Å | 1.73Å | |
CAN | CAP | doub | 1.39Å | 1.38Å | Aromatic |
CAP | OAA | sing | 1.36Å | 1.36Å | |
CAP | CAO | sing | 1.39Å | 1.38Å | Aromatic |
CAO | CLD | sing | 1.74Å | 1.73Å | |
CAO | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
CAQ | NAK | sing | 1.40Å | 1.43Å | |
NAK | CAM | sing | 1.40Å | 1.43Å | |
CAM | CAG | sing | 1.39Å | 1.39Å | Aromatic |
CAM | CAH | doub | 1.39Å | 1.39Å | Aromatic |
CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAL | sing | 1.39Å | 1.39Å | Aromatic |
CAL | OAB | sing | 1.36Å | 1.38Å | |
CAL | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
OAA | HAA | sing | 0.97Å | 0.95Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
NAK | HAK | sing | 0.97Å | 1.00Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
OAB | HAB | sing | 0.97Å | 0.95Å | |
CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAN | CAI | CAQ | 119.2° | 120.0° |
CAI | CAN | CLC | 121.9° | 120.0° |
CAI | CAN | CAP | 119.6° | 120.1° |
CAN | CAI | HAI | 120.4° | 120.0° |
CAI | CAQ | CAJ | 120.7° | 120.0° |
CAI | CAQ | NAK | 118.8° | 120.0° |
CAQ | CAI | HAI | 120.4° | 120.0° |
CLC | CAN | CAP | 118.5° | 120.0° |
CAN | CAP | OAA | 119.2° | 120.0° |
CAN | CAP | CAO | 121.7° | 120.0° |
OAA | CAP | CAO | 119.0° | 120.0° |
CAP | OAA | HAA | 109.5° | 113.9° |
CAP | CAO | CLD | 118.2° | 120.0° |
CAP | CAO | CAJ | 119.2° | 120.0° |
CLD | CAO | CAJ | 122.6° | 120.0° |
CAO | CAJ | CAQ | 119.6° | 120.0° |
CAO | CAJ | HAJ | 120.2° | 120.0° |
CAJ | CAQ | NAK | 120.5° | 120.0° |
CAQ | CAJ | HAJ | 120.2° | 120.0° |
CAQ | NAK | CAM | 123.1° | 120.0° |
CAQ | NAK | HAK | 118.5° | 120.0° |
NAK | CAM | CAG | 119.3° | 120.0° |
NAK | CAM | CAH | 120.5° | 120.0° |
CAM | NAK | HAK | 118.5° | 120.0° |
CAG | CAM | CAH | 120.2° | 119.9° |
CAM | CAG | CAE | 119.9° | 120.0° |
CAM | CAG | HAG | 120.1° | 120.0° |
CAM | CAH | CAF | 119.9° | 119.9° |
CAM | CAH | HAH | 120.1° | 120.0° |
CAG | CAE | CAL | 120.0° | 120.0° |
CAE | CAG | HAG | 120.1° | 120.0° |
CAG | CAE | HAE | 120.0° | 120.0° |
CAE | CAL | OAB | 119.9° | 120.0° |
CAE | CAL | CAF | 120.1° | 120.1° |
CAL | CAE | HAE | 120.0° | 120.1° |
OAB | CAL | CAF | 120.0° | 120.0° |
CAL | OAB | HAB | 109.5° | 114.0° |
CAL | CAF | CAH | 119.9° | 120.0° |
CAL | CAF | HAF | 120.0° | 120.0° |
CAF | CAH | HAH | 120.0° | 120.1° |
CAH | CAF | HAF | 120.1° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAN | CAI | CAQ | HAI | 180.0° | 179.8° |
CAI | CAN | CLC | CAP | 179.3° | 179.9° |
CAI | CAN | CAP | OAA | 179.1° | 180.0° |
CAI | CAN | CAP | CAO | 1.6° | 0.1° |
CAN | CAI | CAQ | CAJ | 1.1° | 0.1° |
CAN | CAI | CAQ | NAK | 178.8° | 180.0° |
CAQ | CAI | CAN | CLC | 179.6° | 180.0° |
CAQ | CAI | CAN | CAP | 0.3° | 0.1° |
CAI | CAQ | CAJ | CAO | 1.2° | 0.0° |
CAI | CAQ | CAJ | NAK | 177.6° | 179.9° |
CAI | CAQ | NAK | CAM | 125.5° | 147.8° |
CAI | CAQ | CAJ | HAJ | 178.8° | 180.0° |
CAI | CAQ | NAK | HAK | 54.5° | 32.3° |
CLC | CAN | CAP | OAA | 1.6° | 0.0° |
CLC | CAN | CAP | CAO | 179.1° | 180.0° |
CLC | CAN | CAI | HAI | 0.3° | 0.2° |
CAN | CAP | OAA | CAO | 177.6° | 180.0° |
CAN | CAP | CAO | CLD | 179.3° | 180.0° |
CAN | CAP | CAO | CAJ | 1.4° | 0.0° |
CAP | CAN | CAI | HAI | 179.7° | 179.7° |
CAN | CAP | OAA | HAA | 180.0° | 90.0° |
OAA | CAP | CAO | CLD | 1.8° | 0.0° |
OAA | CAP | CAO | CAJ | 178.9° | 180.0° |
CAP | CAO | CLD | CAJ | 179.3° | 180.0° |
CAP | CAO | CAJ | CAQ | 0.0° | 0.0° |
CAO | CAP | OAA | HAA | 2.4° | 90.0° |
CAP | CAO | CAJ | HAJ | 180.0° | 180.0° |
CLD | CAO | CAJ | CAQ | 179.3° | 180.0° |
CLD | CAO | CAJ | HAJ | 0.7° | 0.0° |
CAO | CAJ | CAQ | HAJ | 180.0° | 180.0° |
CAO | CAJ | CAQ | NAK | 178.9° | 180.0° |
CAJ | CAQ | NAK | CAM | 56.9° | 32.3° |
CAJ | CAQ | CAI | HAI | 179.0° | 179.7° |
CAJ | CAQ | NAK | HAK | 123.2° | 147.7° |
CAQ | NAK | CAM | HAK | 180.0° | 180.0° |
CAQ | NAK | CAM | CAG | 113.6° | 154.9° |
CAQ | NAK | CAM | CAH | 67.9° | 25.4° |
NAK | CAQ | CAI | HAI | 1.3° | 0.2° |
NAK | CAQ | CAJ | HAJ | 1.1° | 0.0° |
NAK | CAM | CAG | CAH | 178.5° | 179.7° |
NAK | CAM | CAG | CAE | 179.3° | 180.0° |
NAK | CAM | CAH | CAF | 179.4° | 179.8° |
NAK | CAM | CAG | HAG | 0.7° | 0.1° |
NAK | CAM | CAH | HAH | 0.6° | 0.1° |
CAM | CAG | CAE | HAG | 180.0° | 180.0° |
CAM | CAG | CAE | CAL | 0.3° | 0.0° |
CAG | CAM | CAH | CAF | 0.9° | 0.6° |
CAG | CAM | NAK | HAK | 66.4° | 25.1° |
CAG | CAM | CAH | HAH | 179.1° | 179.7° |
CAM | CAG | CAE | HAE | 179.7° | 180.0° |
CAH | CAM | CAG | CAE | 0.8° | 0.3° |
CAM | CAH | CAF | CAL | 0.5° | 0.5° |
CAM | CAH | CAF | HAH | 180.0° | 179.7° |
CAH | CAM | NAK | HAK | 112.1° | 154.6° |
CAH | CAM | CAG | HAG | 179.2° | 179.7° |
CAM | CAH | CAF | HAF | 179.6° | 179.7° |
CAG | CAE | CAL | HAE | 180.0° | 180.0° |
CAG | CAE | CAL | OAB | 180.0° | 180.0° |
CAG | CAE | CAL | CAF | 0.1° | 0.0° |
CAE | CAL | OAB | CAF | 179.9° | 180.0° |
CAE | CAL | CAF | CAH | 0.0° | 0.3° |
CAL | CAE | CAG | HAG | 179.7° | 180.0° |
CAE | CAL | OAB | HAB | 180.0° | 90.0° |
CAE | CAL | CAF | HAF | 180.0° | 180.0° |
OAB | CAL | CAF | CAH | 179.9° | 179.8° |
OAB | CAL | CAE | HAE | 0.0° | 0.0° |
OAB | CAL | CAF | HAF | 0.0° | 0.0° |
CAL | CAF | CAH | HAF | 180.0° | 179.7° |
CAL | CAF | CAH | HAH | 179.5° | 179.8° |
CAF | CAL | CAE | HAE | 179.9° | 180.0° |
CAF | CAL | OAB | HAB | 0.1° | 90.0° |
HAG | CAG | CAE | HAE | 0.3° | 0.0° |
HAH | CAH | CAF | HAF | 0.4° | 0.0° |