6BL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAO | NAM | sing | 1.40Å | 1.24Å | Aromatic |
NAO | CAJ | sing | 1.34Å | 1.34Å | Aromatic |
NAM | CAL | doub | 1.31Å | 1.32Å | Aromatic |
CAJ | OAK | sing | 1.35Å | 1.36Å | |
CAJ | CAI | doub | 1.40Å | 1.39Å | Aromatic |
OAK | CAH | sing | 1.36Å | 1.39Å | |
CAL | CAI | sing | 1.39Å | 1.40Å | Aromatic |
CAL | CAN | sing | 1.51Å | 1.53Å | |
OAG | CAH | doub | 1.22Å | 1.22Å | |
CAI | CAF | sing | 1.47Å | 1.42Å | |
CAH | CAE | sing | 1.47Å | 1.42Å | |
CAF | CAE | doub | 1.42Å | 1.41Å | Aromatic |
CAF | CAD | sing | 1.38Å | 1.40Å | Aromatic |
CAE | CAC | sing | 1.39Å | 1.40Å | Aromatic |
CAD | CAB | doub | 1.38Å | 1.39Å | Aromatic |
CAC | CAA | doub | 1.38Å | 1.39Å | Aromatic |
CAA | CAB | sing | 1.39Å | 1.40Å | Aromatic |
CAN | H1 | sing | 1.09Å | 1.10Å | |
CAN | H2 | sing | 1.09Å | 1.10Å | |
CAN | H3 | sing | 1.09Å | 1.10Å | |
CAD | H4 | sing | 1.08Å | 1.08Å | |
CAB | H5 | sing | 1.08Å | 1.08Å | |
CAA | H6 | sing | 1.08Å | 1.08Å | |
CAC | H7 | sing | 1.08Å | 1.08Å | |
NAO | H8 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAM | NAO | CAJ | 110.2° | 108.3° |
NAO | NAM | CAL | 110.6° | 109.2° |
NAM | NAO | H8 | 124.9° | 125.9° |
NAO | CAJ | OAK | 130.9° | 131.0° |
NAO | CAJ | CAI | 108.5° | 106.9° |
CAJ | NAO | H8 | 124.9° | 125.8° |
NAM | CAL | CAI | 108.9° | 108.0° |
NAM | CAL | CAN | 122.4° | 126.0° |
OAK | CAJ | CAI | 120.5° | 122.1° |
CAJ | OAK | CAH | 120.3° | 116.1° |
CAJ | CAI | CAL | 101.8° | 107.6° |
CAJ | CAI | CAF | 120.6° | 120.2° |
OAK | CAH | OAG | 115.3° | 120.1° |
OAK | CAH | CAE | 121.2° | 119.8° |
CAI | CAL | CAN | 128.7° | 126.0° |
CAL | CAI | CAF | 137.6° | 132.2° |
CAL | CAN | H1 | 109.5° | 109.4° |
CAL | CAN | H2 | 109.5° | 109.4° |
CAL | CAN | H3 | 109.5° | 109.5° |
OAG | CAH | CAE | 123.6° | 120.1° |
CAI | CAF | CAE | 118.8° | 115.2° |
CAI | CAF | CAD | 121.8° | 124.4° |
CAH | CAE | CAF | 118.6° | 118.1° |
CAH | CAE | CAC | 122.5° | 122.6° |
CAE | CAF | CAD | 119.4° | 120.4° |
CAF | CAE | CAC | 118.9° | 119.3° |
CAF | CAD | CAB | 121.7° | 119.3° |
CAF | CAD | H4 | 119.2° | 120.3° |
CAE | CAC | CAA | 120.8° | 119.5° |
CAE | CAC | H7 | 119.6° | 120.2° |
CAD | CAB | CAA | 118.3° | 120.6° |
CAB | CAD | H4 | 119.1° | 120.3° |
CAD | CAB | H5 | 120.9° | 119.7° |
CAC | CAA | CAB | 121.0° | 120.9° |
CAC | CAA | H6 | 119.5° | 119.5° |
CAA | CAC | H7 | 119.6° | 120.3° |
CAA | CAB | H5 | 120.9° | 119.7° |
CAB | CAA | H6 | 119.5° | 119.5° |
H1 | CAN | H2 | 109.5° | 109.5° |
H1 | CAN | H3 | 109.4° | 109.5° |
H2 | CAN | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAM | NAO | CAJ | H8 | 180.0° | 179.6° |
NAM | NAO | CAJ | OAK | 179.4° | 179.3° |
NAM | NAO | CAJ | CAI | 0.8° | 0.6° |
NAO | NAM | CAL | CAI | 0.5° | 0.4° |
NAO | NAM | CAL | CAN | 178.4° | 179.9° |
CAJ | NAO | NAM | CAL | 0.8° | 0.7° |
NAO | CAJ | OAK | CAI | 178.4° | 180.0° |
NAO | CAJ | OAK | CAH | 179.4° | 156.5° |
NAO | CAJ | CAI | CAL | 0.5° | 0.4° |
NAO | CAJ | CAI | CAF | 177.9° | 179.3° |
NAM | CAL | CAI | CAJ | 0.0° | 0.0° |
NAM | CAL | CAI | CAN | 178.8° | 179.7° |
NAM | CAL | CAI | CAF | 177.8° | 179.6° |
NAM | CAL | CAN | H1 | 0.0° | 96.4° |
NAM | CAL | CAN | H2 | 120.0° | 23.6° |
NAM | CAL | CAN | H3 | 120.0° | 143.6° |
CAL | NAM | NAO | H8 | 179.2° | 179.7° |
OAK | CAJ | CAI | CAL | 179.2° | 179.6° |
CAJ | OAK | CAH | OAG | 178.3° | 144.5° |
OAK | CAJ | CAI | CAF | 0.9° | 0.7° |
CAJ | OAK | CAH | CAE | 1.8° | 35.5° |
OAK | CAJ | NAO | H8 | 0.6° | 0.3° |
CAI | CAJ | OAK | CAH | 1.0° | 23.5° |
CAJ | CAI | CAL | CAF | 177.9° | 179.6° |
CAJ | CAI | CAL | CAN | 178.8° | 179.7° |
CAJ | CAI | CAF | CAE | 2.0° | 9.9° |
CAJ | CAI | CAF | CAD | 179.8° | 169.9° |
CAI | CAJ | NAO | H8 | 179.2° | 179.8° |
OAK | CAH | OAG | CAE | 179.9° | 180.0° |
OAK | CAH | CAE | CAF | 0.7° | 24.8° |
OAK | CAH | CAE | CAC | 178.9° | 155.8° |
CAL | CAI | CAF | CAE | 179.5° | 169.7° |
CAL | CAI | CAF | CAD | 2.6° | 10.5° |
CAI | CAL | CAN | H1 | 178.6° | 84.0° |
CAI | CAL | CAN | H2 | 61.4° | 156.1° |
CAI | CAL | CAN | H3 | 58.7° | 36.1° |
CAN | CAL | CAI | CAF | 1.0° | 0.6° |
CAL | CAN | H1 | H2 | 120.0° | 119.9° |
CAL | CAN | H1 | H3 | 120.0° | 120.0° |
CAL | CAN | H2 | H3 | 120.0° | 120.0° |
OAG | CAH | CAE | CAF | 179.4° | 155.2° |
OAG | CAH | CAE | CAC | 1.0° | 24.2° |
CAI | CAF | CAE | CAH | 1.2° | 1.6° |
CAI | CAF | CAE | CAD | 177.9° | 179.8° |
CAI | CAF | CAE | CAC | 179.3° | 179.0° |
CAI | CAF | CAD | CAB | 179.6° | 179.3° |
CAI | CAF | CAD | H4 | 0.4° | 0.7° |
CAH | CAE | CAF | CAC | 179.6° | 179.4° |
CAH | CAE | CAF | CAD | 179.1° | 178.6° |
CAH | CAE | CAC | CAA | 179.4° | 178.8° |
CAH | CAE | CAC | H7 | 0.6° | 1.2° |
CAE | CAF | CAD | CAB | 1.7° | 0.4° |
CAF | CAE | CAC | CAA | 1.1° | 0.5° |
CAE | CAF | CAD | H4 | 178.3° | 179.5° |
CAF | CAE | CAC | H7 | 178.9° | 179.5° |
CAD | CAF | CAE | CAC | 1.3° | 0.8° |
CAF | CAD | CAB | H4 | 180.0° | 179.9° |
CAF | CAD | CAB | CAA | 1.8° | 0.1° |
CAF | CAD | CAB | H5 | 178.2° | 179.9° |
CAE | CAC | CAA | H7 | 180.0° | 180.0° |
CAE | CAC | CAA | CAB | 1.1° | 0.0° |
CAE | CAC | CAA | H6 | 178.8° | 179.9° |
CAD | CAB | CAA | CAC | 1.4° | 0.4° |
CAD | CAB | CAA | H5 | 180.0° | 180.0° |
CAD | CAB | CAA | H6 | 178.5° | 179.7° |
CAC | CAA | CAB | H6 | 180.0° | 179.9° |
CAC | CAA | CAB | H5 | 178.5° | 179.7° |
CAA | CAB | CAD | H4 | 178.3° | 179.9° |
CAB | CAA | CAC | H7 | 178.9° | 180.0° |
H1 | CAN | H2 | H3 | 120.0° | 120.0° |
H4 | CAD | CAB | H5 | 1.8° | 0.0° |
H5 | CAB | CAA | H6 | 1.5° | 0.2° |
H6 | CAA | CAC | H7 | 1.2° | 0.1° |