FJ8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAD | NAB | doub | 1.29Å | 1.31Å | Aromatic |
NAD | CAE | sing | 1.33Å | 1.33Å | Aromatic |
NAB | NAA | sing | 1.29Å | 1.39Å | Aromatic |
CAE | CAF | sing | 1.51Å | 1.52Å | |
CAE | NAC | doub | 1.31Å | 1.33Å | Aromatic |
CAF | CAG | sing | 1.51Å | 1.53Å | |
NAA | NAC | sing | 1.29Å | 1.30Å | Aromatic |
CAG | NAI | sing | 1.35Å | 1.33Å | |
CAG | OAH | doub | 1.21Å | 1.20Å | |
NAI | NAJ | sing | 1.40Å | 1.36Å | |
NAJ | CAK | doub | 1.30Å | 1.31Å | |
CAK | CAM | sing | 1.48Å | 1.40Å | |
CAM | CAN | doub | 1.40Å | 1.38Å | Aromatic |
CAM | CAL | sing | 1.40Å | 1.38Å | Aromatic |
CAN | CAO | sing | 1.38Å | 1.39Å | Aromatic |
CAL | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
CAO | CAP | doub | 1.38Å | 1.38Å | Aromatic |
CAQ | CAP | sing | 1.38Å | 1.40Å | Aromatic |
CAP | CAR | sing | 1.51Å | 1.40Å | |
CAF | H1 | sing | 1.09Å | 1.10Å | |
CAF | H2 | sing | 1.09Å | 1.10Å | |
CAK | H3 | sing | 1.08Å | 1.08Å | |
CAL | H4 | sing | 1.08Å | 1.08Å | |
CAN | H5 | sing | 1.08Å | 1.08Å | |
CAO | H6 | sing | 1.08Å | 1.08Å | |
CAQ | H7 | sing | 1.08Å | 1.08Å | |
CAR | H8 | sing | 1.09Å | 1.10Å | |
CAR | H9 | sing | 1.09Å | 1.10Å | |
CAR | H10 | sing | 1.09Å | 1.10Å | |
NAA | H11 | sing | 0.97Å | 1.00Å | |
NAI | H12 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAB | NAD | CAE | 106.9° | 107.4° |
NAD | NAB | NAA | 106.6° | 108.7° |
NAD | CAE | CAF | 124.3° | 126.5° |
NAD | CAE | NAC | 111.4° | 106.9° |
NAB | NAA | NAC | 109.1° | 109.1° |
NAB | NAA | H11 | 125.5° | 125.4° |
CAF | CAE | NAC | 124.2° | 126.6° |
CAE | CAF | CAG | 109.9° | 109.5° |
CAE | CAF | H1 | 109.4° | 109.5° |
CAE | CAF | H2 | 109.4° | 109.4° |
CAE | NAC | NAA | 105.9° | 107.9° |
CAF | CAG | NAI | 116.7° | 120.0° |
CAF | CAG | OAH | 121.6° | 120.0° |
CAG | CAF | H1 | 109.3° | 109.5° |
CAG | CAF | H2 | 109.4° | 109.5° |
NAC | NAA | H11 | 125.5° | 125.5° |
NAI | CAG | OAH | 121.7° | 120.0° |
CAG | NAI | NAJ | 118.0° | 120.0° |
CAG | NAI | H12 | 121.0° | 120.0° |
NAI | NAJ | CAK | 117.9° | 120.0° |
NAJ | NAI | H12 | 121.0° | 120.0° |
NAJ | CAK | CAM | 123.2° | 120.0° |
NAJ | CAK | H3 | 118.4° | 120.0° |
CAK | CAM | CAN | 116.8° | 120.2° |
CAK | CAM | CAL | 123.6° | 120.1° |
CAM | CAK | H3 | 118.4° | 120.0° |
CAN | CAM | CAL | 119.5° | 119.7° |
CAM | CAN | CAO | 120.3° | 119.9° |
CAM | CAN | H5 | 119.9° | 120.1° |
CAM | CAL | CAQ | 120.8° | 119.9° |
CAM | CAL | H4 | 119.6° | 120.1° |
CAN | CAO | CAP | 120.5° | 120.1° |
CAO | CAN | H5 | 119.9° | 120.0° |
CAN | CAO | H6 | 119.8° | 120.0° |
CAL | CAQ | CAP | 119.4° | 120.1° |
CAQ | CAL | H4 | 119.6° | 120.0° |
CAL | CAQ | H7 | 120.3° | 120.0° |
CAO | CAP | CAQ | 119.5° | 120.3° |
CAO | CAP | CAR | 118.4° | 119.9° |
CAP | CAO | H6 | 119.8° | 119.9° |
CAQ | CAP | CAR | 122.1° | 119.8° |
CAP | CAQ | H7 | 120.3° | 119.9° |
CAP | CAR | H8 | 109.5° | 109.4° |
CAP | CAR | H9 | 109.5° | 109.4° |
CAP | CAR | H10 | 109.5° | 109.5° |
H1 | CAF | H2 | 109.5° | 109.5° |
H8 | CAR | H9 | 109.4° | 109.5° |
H8 | CAR | H10 | 109.5° | 109.5° |
H9 | CAR | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAB | NAD | CAE | CAF | 179.1° | 180.0° |
NAB | NAD | CAE | NAC | 0.2° | 0.2° |
NAD | NAB | NAA | NAC | 2.8° | 0.0° |
NAD | NAB | NAA | H11 | 177.2° | 179.8° |
CAE | NAD | NAB | NAA | 1.8° | 0.1° |
NAD | CAE | CAF | NAC | 179.2° | 179.7° |
NAD | CAE | CAF | CAG | 133.1° | 90.3° |
NAD | CAE | NAC | NAA | 1.6° | 0.2° |
NAD | CAE | CAF | H1 | 13.0° | 29.7° |
NAD | CAE | CAF | H2 | 106.8° | 149.7° |
NAB | NAA | NAC | CAE | 2.6° | 0.1° |
NAB | NAA | NAC | H11 | 180.0° | 179.8° |
CAE | CAF | CAG | H1 | 120.1° | 120.0° |
CAE | CAF | CAG | H2 | 120.1° | 120.0° |
CAF | CAE | NAC | NAA | 179.2° | 180.0° |
CAE | CAF | CAG | NAI | 142.9° | 179.9° |
CAE | CAF | CAG | OAH | 36.0° | 0.0° |
CAE | CAF | H1 | H2 | 119.8° | 120.0° |
NAC | CAE | CAF | CAG | 47.8° | 90.0° |
NAC | CAE | CAF | H1 | 167.8° | 150.0° |
NAC | CAE | CAF | H2 | 72.3° | 30.0° |
CAE | NAC | NAA | H11 | 177.4° | 179.9° |
CAF | CAG | NAI | OAH | 178.9° | 179.9° |
CAF | CAG | NAI | NAJ | 179.6° | 180.0° |
CAG | CAF | H1 | H2 | 119.8° | 120.0° |
CAF | CAG | NAI | H12 | 0.4° | 0.1° |
CAG | NAI | NAJ | H12 | 180.0° | 179.9° |
CAG | NAI | NAJ | CAK | 176.4° | 180.0° |
NAI | CAG | CAF | H1 | 97.0° | 60.0° |
NAI | CAG | CAF | H2 | 22.9° | 60.0° |
OAH | CAG | NAI | NAJ | 1.5° | 0.1° |
OAH | CAG | CAF | H1 | 84.1° | 120.0° |
OAH | CAG | CAF | H2 | 156.0° | 120.0° |
OAH | CAG | NAI | H12 | 178.5° | 180.0° |
NAI | NAJ | CAK | CAM | 179.5° | 179.9° |
NAI | NAJ | CAK | H3 | 0.5° | 0.0° |
NAJ | CAK | CAM | H3 | 180.0° | 179.9° |
NAJ | CAK | CAM | CAN | 179.6° | 180.0° |
NAJ | CAK | CAM | CAL | 3.4° | 0.0° |
CAK | NAJ | NAI | H12 | 3.6° | 0.1° |
CAK | CAM | CAN | CAL | 177.1° | 179.9° |
CAK | CAM | CAN | CAO | 179.7° | 179.9° |
CAK | CAM | CAL | CAQ | 179.1° | 179.9° |
CAK | CAM | CAL | H4 | 0.9° | 0.3° |
CAK | CAM | CAN | H5 | 0.3° | 0.1° |
CAM | CAN | CAO | H5 | 180.0° | 180.0° |
CAN | CAM | CAL | CAQ | 2.2° | 0.0° |
CAM | CAN | CAO | CAP | 0.6° | 0.0° |
CAN | CAM | CAK | H3 | 0.4° | 0.1° |
CAN | CAM | CAL | H4 | 177.8° | 179.8° |
CAM | CAN | CAO | H6 | 179.4° | 180.0° |
CAL | CAM | CAN | CAO | 2.5° | 0.0° |
CAM | CAL | CAQ | H4 | 180.0° | 179.8° |
CAM | CAL | CAQ | CAP | 0.1° | 0.0° |
CAL | CAM | CAK | H3 | 176.6° | 180.0° |
CAL | CAM | CAN | H5 | 177.5° | 180.0° |
CAM | CAL | CAQ | H7 | 179.9° | 179.7° |
CAN | CAO | CAP | H6 | 180.0° | 180.0° |
CAN | CAO | CAP | CAQ | 1.7° | 0.0° |
CAN | CAO | CAP | CAR | 179.8° | 180.0° |
CAL | CAQ | CAP | CAO | 2.0° | 0.0° |
CAL | CAQ | CAP | H7 | 180.0° | 179.7° |
CAL | CAQ | CAP | CAR | 179.9° | 180.0° |
CAO | CAP | CAQ | CAR | 178.1° | 180.0° |
CAP | CAO | CAN | H5 | 179.4° | 180.0° |
CAO | CAP | CAQ | H7 | 178.0° | 179.7° |
CAO | CAP | CAR | H8 | 90.9° | 90.0° |
CAO | CAP | CAR | H9 | 149.2° | 150.0° |
CAO | CAP | CAR | H10 | 29.1° | 30.0° |
CAP | CAQ | CAL | H4 | 179.9° | 179.8° |
CAQ | CAP | CAO | H6 | 178.3° | 180.0° |
CAQ | CAP | CAR | H8 | 91.0° | 90.0° |
CAQ | CAP | CAR | H9 | 29.0° | 30.0° |
CAQ | CAP | CAR | H10 | 149.0° | 150.0° |
CAR | CAP | CAO | H6 | 0.2° | 0.1° |
CAR | CAP | CAQ | H7 | 0.1° | 0.3° |
CAP | CAR | H8 | H9 | 120.0° | 120.0° |
CAP | CAR | H8 | H10 | 120.0° | 120.0° |
CAP | CAR | H9 | H10 | 120.0° | 120.0° |
H4 | CAL | CAQ | H7 | 0.1° | 0.1° |
H5 | CAN | CAO | H6 | 0.6° | 0.0° |
H8 | CAR | H9 | H10 | 120.0° | 120.1° |