N7J
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAN | OAO | sing | 1.42Å | 1.41Å | |
NAN | CAL | doub | 1.30Å | 1.44Å | |
CAL | OAM | sing | 1.35Å | 1.30Å | |
CAL | NAK | sing | 1.38Å | 1.33Å | |
OAM | CAC | sing | 1.36Å | 1.34Å | |
NAK | CAB | sing | 1.40Å | 1.40Å | |
CAC | CAB | doub | 1.39Å | 1.38Å | Aromatic |
CAC | CAD | sing | 1.39Å | 1.41Å | Aromatic |
CAB | CAA | sing | 1.39Å | 1.41Å | Aromatic |
CAD | CAE | doub | 1.38Å | 1.38Å | Aromatic |
CAA | CAF | doub | 1.38Å | 1.38Å | Aromatic |
CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
CAF | SAG | sing | 1.76Å | 1.79Å | |
NAJ | SAG | sing | 1.66Å | 1.67Å | |
OAH | SAG | doub | 1.42Å | 1.62Å | |
SAG | OAI | doub | 1.42Å | 1.60Å | |
CAA | H1 | sing | 1.08Å | 1.08Å | |
OAO | H3 | sing | 0.97Å | 0.95Å | |
CAD | H4 | sing | 1.08Å | 1.08Å | |
CAE | H5 | sing | 1.08Å | 1.08Å | |
NAJ | H6 | sing | 0.97Å | 1.00Å | |
NAJ | H7 | sing | 0.97Å | 1.00Å | |
NAK | H8 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAO | NAN | CAL | 119.2° | 120.0° |
NAN | OAO | H3 | 109.5° | 114.1° |
NAN | CAL | OAM | 124.1° | 125.6° |
NAN | CAL | NAK | 125.3° | 125.6° |
OAM | CAL | NAK | 110.6° | 108.8° |
CAL | OAM | CAC | 109.3° | 109.3° |
CAL | NAK | CAB | 106.9° | 107.1° |
CAL | NAK | H8 | 126.6° | 126.4° |
OAM | CAC | CAB | 107.6° | 107.9° |
OAM | CAC | CAD | 131.1° | 132.4° |
NAK | CAB | CAC | 105.5° | 106.9° |
NAK | CAB | CAA | 133.5° | 133.0° |
CAB | NAK | H8 | 126.6° | 126.5° |
CAB | CAC | CAD | 121.3° | 119.6° |
CAC | CAB | CAA | 120.6° | 120.1° |
CAC | CAD | CAE | 118.4° | 120.0° |
CAC | CAD | H4 | 120.8° | 120.0° |
CAB | CAA | CAF | 116.7° | 119.8° |
CAB | CAA | H1 | 121.6° | 120.1° |
CAD | CAE | CAF | 119.4° | 120.3° |
CAE | CAD | H4 | 120.8° | 120.0° |
CAD | CAE | H5 | 120.3° | 119.9° |
CAA | CAF | CAE | 123.4° | 120.2° |
CAA | CAF | SAG | 119.6° | 119.9° |
CAF | CAA | H1 | 121.6° | 120.1° |
CAE | CAF | SAG | 117.0° | 119.9° |
CAF | CAE | H5 | 120.3° | 119.8° |
CAF | SAG | NAJ | 107.8° | 107.2° |
CAF | SAG | OAH | 106.7° | 106.4° |
CAF | SAG | OAI | 107.0° | 106.4° |
NAJ | SAG | OAH | 113.1° | 106.4° |
NAJ | SAG | OAI | 107.0° | 106.4° |
SAG | NAJ | H6 | 109.5° | 120.0° |
SAG | NAJ | H7 | 109.5° | 120.0° |
OAH | SAG | OAI | 115.0° | 123.2° |
H6 | NAJ | H7 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAO | NAN | CAL | OAM | 32.0° | 0.1° |
OAO | NAN | CAL | NAK | 147.8° | 180.0° |
NAN | CAL | OAM | NAK | 179.8° | 180.0° |
NAN | CAL | OAM | CAC | 179.6° | 179.9° |
NAN | CAL | NAK | CAB | 177.5° | 179.9° |
CAL | NAN | OAO | H3 | 180.0° | 180.0° |
NAN | CAL | NAK | H8 | 2.5° | 0.0° |
OAM | CAL | NAK | CAB | 2.7° | 0.0° |
CAL | OAM | CAC | CAB | 1.9° | 0.0° |
CAL | OAM | CAC | CAD | 179.5° | 180.0° |
OAM | CAL | NAK | H8 | 177.3° | 180.0° |
NAK | CAL | OAM | CAC | 0.6° | 0.0° |
CAL | NAK | CAB | H8 | 180.0° | 180.0° |
CAL | NAK | CAB | CAC | 3.7° | 0.0° |
CAL | NAK | CAB | CAA | 175.7° | 180.0° |
OAM | CAC | CAB | NAK | 3.4° | 0.0° |
OAM | CAC | CAB | CAD | 177.9° | 179.9° |
OAM | CAC | CAB | CAA | 176.7° | 180.0° |
OAM | CAC | CAD | CAE | 179.8° | 179.9° |
OAM | CAC | CAD | H4 | 0.2° | 0.0° |
NAK | CAB | CAC | CAA | 173.3° | 180.0° |
NAK | CAB | CAC | CAD | 178.7° | 180.0° |
NAK | CAB | CAA | CAF | 176.1° | 180.0° |
NAK | CAB | CAA | H1 | 3.9° | 0.3° |
CAB | CAC | CAD | CAE | 2.9° | 0.0° |
CAC | CAB | CAA | CAF | 5.1° | 0.1° |
CAC | CAB | CAA | H1 | 175.0° | 179.7° |
CAB | CAC | CAD | H4 | 177.1° | 180.0° |
CAC | CAB | NAK | H8 | 176.3° | 180.0° |
CAD | CAC | CAB | CAA | 5.4° | 0.1° |
CAC | CAD | CAE | H4 | 180.0° | 180.0° |
CAC | CAD | CAE | CAF | 0.3° | 0.0° |
CAC | CAD | CAE | H5 | 179.7° | 180.0° |
CAB | CAA | CAF | H1 | 180.0° | 179.8° |
CAB | CAA | CAF | CAE | 2.6° | 0.0° |
CAB | CAA | CAF | SAG | 177.8° | 179.7° |
CAA | CAB | NAK | H8 | 4.3° | 0.0° |
CAD | CAE | CAF | CAA | 0.2° | 0.1° |
CAD | CAE | CAF | H5 | 180.0° | 179.9° |
CAD | CAE | CAF | SAG | 179.9° | 179.7° |
CAA | CAF | CAE | SAG | 179.7° | 179.8° |
CAA | CAF | SAG | NAJ | 40.1° | 90.0° |
CAA | CAF | SAG | OAH | 161.8° | 156.5° |
CAA | CAF | SAG | OAI | 74.7° | 23.6° |
CAA | CAF | CAE | H5 | 179.8° | 180.0° |
CAE | CAF | SAG | NAJ | 140.2° | 90.2° |
CAE | CAF | SAG | OAH | 18.5° | 23.3° |
CAE | CAF | SAG | OAI | 105.0° | 156.2° |
CAE | CAF | CAA | H1 | 177.5° | 179.8° |
CAF | CAE | CAD | H4 | 179.7° | 180.0° |
CAF | SAG | NAJ | OAH | 117.6° | 113.5° |
CAF | SAG | NAJ | OAI | 114.8° | 113.6° |
CAF | SAG | OAH | OAI | 118.4° | 122.9° |
SAG | CAF | CAA | H1 | 2.2° | 0.0° |
SAG | CAF | CAE | H5 | 0.1° | 0.2° |
CAF | SAG | NAJ | H6 | 180.0° | 0.0° |
CAF | SAG | NAJ | H7 | 60.0° | 180.0° |
NAJ | SAG | OAH | OAI | 123.3° | 123.0° |
SAG | NAJ | H6 | H7 | 120.0° | 180.0° |
OAH | SAG | NAJ | H6 | 62.4° | 113.5° |
OAH | SAG | NAJ | H7 | 57.6° | 66.5° |
OAI | SAG | NAJ | H6 | 65.2° | 113.5° |
OAI | SAG | NAJ | H7 | 174.8° | 66.5° |
H4 | CAD | CAE | H5 | 0.3° | 0.0° |