15Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAD | CAO | sing | 1.35Å | 1.33Å | |
CAO | CAK | doub | 1.38Å | 1.39Å | Aromatic |
CAO | CAM | sing | 1.39Å | 1.39Å | Aromatic |
OAB | CAM | sing | 1.36Å | 1.35Å | |
CAK | CAR | sing | 1.39Å | 1.39Å | Aromatic |
CAM | CAG | doub | 1.39Å | 1.39Å | Aromatic |
CL | CAP | sing | 1.74Å | 1.72Å | |
CAR | CAS | sing | 1.48Å | 1.52Å | |
CAR | CAI | doub | 1.39Å | 1.39Å | Aromatic |
CAG | CAI | sing | 1.38Å | 1.38Å | Aromatic |
CAP | CAS | doub | 1.39Å | 1.42Å | Aromatic |
CAP | CAQ | sing | 1.40Å | 1.43Å | Aromatic |
CAS | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
NAL | OAA | sing | 1.42Å | 1.31Å | |
NAL | CAF | doub | 1.29Å | 1.32Å | |
CAF | CAQ | sing | 1.47Å | 1.51Å | |
CAQ | CAN | doub | 1.40Å | 1.40Å | Aromatic |
CAJ | CAH | doub | 1.38Å | 1.37Å | Aromatic |
CAN | CAH | sing | 1.39Å | 1.38Å | Aromatic |
CAN | OAC | sing | 1.36Å | 1.40Å | |
CAK | H1 | sing | 1.08Å | 1.08Å | |
OAB | H2 | sing | 0.97Å | 0.95Å | |
CAG | H3 | sing | 1.08Å | 1.08Å | |
CAI | H4 | sing | 1.08Å | 1.08Å | |
CAJ | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.08Å | 1.08Å | |
OAC | H7 | sing | 0.97Å | 0.95Å | |
CAF | H8 | sing | 1.08Å | 1.08Å | |
OAA | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAD | CAO | CAK | 120.0° | 120.0° |
FAD | CAO | CAM | 119.7° | 120.0° |
CAK | CAO | CAM | 120.3° | 120.0° |
CAO | CAK | CAR | 118.5° | 119.9° |
CAO | CAK | H1 | 120.8° | 120.0° |
CAO | CAM | OAB | 119.6° | 119.9° |
CAO | CAM | CAG | 122.0° | 120.1° |
OAB | CAM | CAG | 118.4° | 120.0° |
CAM | OAB | H2 | 109.5° | 114.0° |
CAK | CAR | CAS | 122.4° | 120.1° |
CAK | CAR | CAI | 120.0° | 119.9° |
CAR | CAK | H1 | 120.7° | 120.0° |
CAM | CAG | CAI | 117.1° | 120.1° |
CAM | CAG | H3 | 121.5° | 119.9° |
CL | CAP | CAS | 121.9° | 120.2° |
CL | CAP | CAQ | 119.5° | 120.1° |
CAS | CAR | CAI | 117.6° | 120.1° |
CAR | CAS | CAP | 122.0° | 120.0° |
CAR | CAS | CAJ | 118.0° | 120.0° |
CAR | CAI | CAG | 122.3° | 120.0° |
CAR | CAI | H4 | 118.9° | 120.0° |
CAI | CAG | H3 | 121.5° | 120.0° |
CAG | CAI | H4 | 118.9° | 120.0° |
CAS | CAP | CAQ | 118.6° | 119.7° |
CAP | CAS | CAJ | 120.0° | 120.0° |
CAP | CAQ | CAF | 120.8° | 120.1° |
CAP | CAQ | CAN | 118.7° | 119.7° |
CAS | CAJ | CAH | 121.2° | 120.3° |
CAS | CAJ | H5 | 119.4° | 119.9° |
OAA | NAL | CAF | 119.5° | 120.0° |
NAL | OAA | H11 | 109.5° | 114.0° |
NAL | CAF | CAQ | 120.7° | 120.0° |
NAL | CAF | H8 | 119.7° | 120.0° |
CAF | CAQ | CAN | 120.5° | 120.2° |
CAQ | CAF | H8 | 119.7° | 120.1° |
CAQ | CAN | CAH | 121.7° | 120.0° |
CAQ | CAN | OAC | 119.1° | 120.0° |
CAJ | CAH | CAN | 119.8° | 120.2° |
CAH | CAJ | H5 | 119.4° | 119.9° |
CAJ | CAH | H6 | 120.1° | 119.9° |
CAH | CAN | OAC | 119.3° | 120.0° |
CAN | CAH | H6 | 120.1° | 119.9° |
CAN | OAC | H7 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAD | CAO | CAK | CAM | 179.9° | 179.9° |
FAD | CAO | CAM | OAB | 0.1° | 0.0° |
FAD | CAO | CAK | CAR | 179.8° | 180.0° |
FAD | CAO | CAM | CAG | 179.9° | 180.0° |
FAD | CAO | CAK | H1 | 0.2° | 0.2° |
CAK | CAO | CAM | OAB | 179.8° | 179.9° |
CAO | CAK | CAR | H1 | 180.0° | 179.8° |
CAK | CAO | CAM | CAG | 0.0° | 0.1° |
CAO | CAK | CAR | CAS | 179.9° | 179.8° |
CAO | CAK | CAR | CAI | 0.3° | 0.0° |
CAO | CAM | OAB | CAG | 179.8° | 180.0° |
CAM | CAO | CAK | CAR | 0.3° | 0.1° |
CAO | CAM | CAG | CAI | 0.2° | 0.0° |
CAM | CAO | CAK | H1 | 179.7° | 179.7° |
CAO | CAM | OAB | H2 | 180.0° | 90.1° |
CAO | CAM | CAG | H3 | 179.8° | 179.9° |
OAB | CAM | CAG | CAI | 179.9° | 180.0° |
OAB | CAM | CAG | H3 | 0.1° | 0.1° |
CAK | CAR | CAS | CAI | 179.6° | 179.7° |
CAK | CAR | CAI | CAG | 0.0° | 0.0° |
CAK | CAR | CAS | CAP | 52.3° | 130.3° |
CAK | CAR | CAS | CAJ | 128.6° | 50.0° |
CAK | CAR | CAI | H4 | 180.0° | 180.0° |
CAM | CAG | CAI | CAR | 0.3° | 0.1° |
CAM | CAG | CAI | H3 | 180.0° | 179.9° |
CAG | CAM | OAB | H2 | 0.2° | 89.9° |
CAM | CAG | CAI | H4 | 179.7° | 180.0° |
CL | CAP | CAS | CAR | 0.9° | 0.0° |
CL | CAP | CAS | CAQ | 179.5° | 179.9° |
CL | CAP | CAS | CAJ | 179.9° | 179.7° |
CL | CAP | CAQ | CAF | 0.5° | 0.1° |
CL | CAP | CAQ | CAN | 180.0° | 179.9° |
CAS | CAR | CAI | CAG | 179.6° | 179.7° |
CAR | CAS | CAP | CAJ | 179.1° | 179.7° |
CAR | CAS | CAP | CAQ | 179.6° | 180.0° |
CAR | CAS | CAJ | CAH | 179.5° | 180.0° |
CAS | CAR | CAK | H1 | 0.1° | 0.0° |
CAS | CAR | CAI | H4 | 0.4° | 0.3° |
CAR | CAS | CAJ | H5 | 0.5° | 0.1° |
CAR | CAI | CAG | H4 | 180.0° | 180.0° |
CAI | CAR | CAS | CAP | 128.1° | 50.0° |
CAI | CAR | CAS | CAJ | 51.0° | 129.7° |
CAI | CAR | CAK | H1 | 179.7° | 179.8° |
CAR | CAI | CAG | H3 | 179.7° | 179.9° |
CAS | CAP | CAQ | CAF | 180.0° | 180.0° |
CAS | CAP | CAQ | CAN | 0.5° | 0.0° |
CAP | CAS | CAJ | CAH | 0.4° | 0.3° |
CAP | CAS | CAJ | H5 | 179.6° | 179.8° |
CAQ | CAP | CAS | CAJ | 0.5° | 0.2° |
CAP | CAQ | CAF | NAL | 122.7° | 180.0° |
CAP | CAQ | CAF | CAN | 179.5° | 180.0° |
CAP | CAQ | CAN | CAH | 0.4° | 0.2° |
CAP | CAQ | CAN | OAC | 179.9° | 180.0° |
CAP | CAQ | CAF | H8 | 57.3° | 0.0° |
CAS | CAJ | CAH | H5 | 180.0° | 179.9° |
CAS | CAJ | CAH | CAN | 0.2° | 0.1° |
CAS | CAJ | CAH | H6 | 179.8° | 180.0° |
OAA | NAL | CAF | CAQ | 157.0° | 180.0° |
OAA | NAL | CAF | H8 | 23.0° | 0.0° |
NAL | CAF | CAQ | H8 | 180.0° | 180.0° |
NAL | CAF | CAQ | CAN | 57.9° | 0.0° |
CAF | NAL | OAA | H11 | 180.0° | 180.0° |
CAF | CAQ | CAN | CAH | 179.8° | 179.8° |
CAF | CAQ | CAN | OAC | 0.4° | 0.0° |
CAQ | CAN | CAH | CAJ | 0.2° | 0.2° |
CAQ | CAN | CAH | OAC | 179.7° | 179.8° |
CAQ | CAN | CAH | H6 | 179.8° | 179.8° |
CAQ | CAN | OAC | H7 | 180.0° | 90.3° |
CAN | CAQ | CAF | H8 | 122.1° | 180.0° |
CAJ | CAH | CAN | H6 | 180.0° | 179.9° |
CAJ | CAH | CAN | OAC | 179.9° | 179.9° |
CAN | CAH | CAJ | H5 | 179.8° | 180.0° |
CAH | CAN | OAC | H7 | 0.2° | 89.9° |
OAC | CAN | CAH | H6 | 0.1° | 0.0° |
H3 | CAG | CAI | H4 | 0.3° | 0.1° |
H5 | CAJ | CAH | H6 | 0.2° | 0.1° |