C8O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAG | NAA | sing | 1.22Å | 1.28Å | |
CAJ | CAK | doub | 1.38Å | 1.38Å | Aromatic |
CAJ | CAD | sing | 1.39Å | 1.39Å | Aromatic |
CAK | CAF | sing | 1.39Å | 1.37Å | Aromatic |
CAO | NAL | sing | 1.46Å | 1.50Å | |
CAO | CAP | sing | 1.53Å | 1.54Å | |
NAA | CAD | sing | 1.48Å | 1.36Å | |
NAA | OAH | doub | 1.22Å | 1.30Å | |
CAD | CAC | doub | 1.38Å | 1.37Å | Aromatic |
CAF | NAL | sing | 1.39Å | 1.36Å | |
CAF | CAB | doub | 1.40Å | 1.41Å | Aromatic |
CAC | CAB | sing | 1.40Å | 1.41Å | Aromatic |
CAB | CAE | sing | 1.47Å | 1.42Å | |
CAP | NAN | sing | 1.47Å | 1.49Å | |
CAE | OAM | doub | 1.22Å | 1.27Å | |
CAE | OAI | sing | 1.35Å | 1.25Å | |
OAI | H1 | sing | 0.97Å | 0.95Å | |
CAC | H2 | sing | 1.08Å | 1.08Å | |
CAJ | H3 | sing | 1.08Å | 1.08Å | |
CAK | H4 | sing | 1.08Å | 1.08Å | |
NAL | H5 | sing | 0.97Å | 1.00Å | |
CAO | H6 | sing | 1.09Å | 1.10Å | |
CAO | H7 | sing | 1.09Å | 1.10Å | |
CAP | H8 | sing | 1.09Å | 1.10Å | |
CAP | H9 | sing | 1.09Å | 1.10Å | |
NAN | H10 | sing | 1.01Å | 1.00Å | |
NAN | H11 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAG | NAA | CAD | 118.7° | 120.0° |
OAG | NAA | OAH | 117.8° | 120.0° |
CAK | CAJ | CAD | 122.4° | 120.4° |
CAJ | CAK | CAF | 121.0° | 120.1° |
CAK | CAJ | H3 | 118.8° | 119.8° |
CAJ | CAK | H4 | 119.5° | 120.0° |
CAJ | CAD | NAA | 118.8° | 119.8° |
CAJ | CAD | CAC | 117.1° | 120.4° |
CAD | CAJ | H3 | 118.8° | 119.8° |
CAK | CAF | NAL | 121.9° | 120.1° |
CAK | CAF | CAB | 118.1° | 119.6° |
CAF | CAK | H4 | 119.5° | 120.0° |
NAL | CAO | CAP | 114.3° | 109.5° |
CAO | NAL | CAF | 125.6° | 120.0° |
CAO | NAL | H5 | 105.3° | 120.0° |
NAL | CAO | H6 | 108.2° | 109.5° |
NAL | CAO | H7 | 108.3° | 109.5° |
CAO | CAP | NAN | 105.7° | 109.5° |
CAP | CAO | H6 | 108.2° | 109.4° |
CAP | CAO | H7 | 108.3° | 109.5° |
CAO | CAP | H8 | 110.4° | 109.5° |
CAO | CAP | H9 | 110.4° | 109.5° |
CAD | NAA | OAH | 123.4° | 120.0° |
NAA | CAD | CAC | 124.1° | 119.8° |
CAD | CAC | CAB | 122.0° | 119.9° |
CAD | CAC | H2 | 119.0° | 120.1° |
NAL | CAF | CAB | 120.0° | 120.2° |
CAF | NAL | H5 | 105.3° | 119.9° |
CAF | CAB | CAC | 119.4° | 119.6° |
CAF | CAB | CAE | 123.2° | 120.2° |
CAC | CAB | CAE | 117.3° | 120.2° |
CAB | CAC | H2 | 119.0° | 120.0° |
CAB | CAE | OAM | 120.5° | 120.0° |
CAB | CAE | OAI | 120.4° | 120.0° |
NAN | CAP | H8 | 110.4° | 109.4° |
NAN | CAP | H9 | 110.4° | 109.5° |
CAP | NAN | H10 | 109.5° | 111.0° |
CAP | NAN | H11 | 109.4° | 111.0° |
OAM | CAE | OAI | 119.1° | 120.0° |
CAE | OAI | H1 | 109.5° | 117.0° |
H6 | CAO | H7 | 109.5° | 109.5° |
H8 | CAP | H9 | 109.5° | 109.5° |
H10 | NAN | H11 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAG | NAA | CAD | CAJ | 15.6° | 0.0° |
OAG | NAA | CAD | OAH | 175.7° | 180.0° |
OAG | NAA | CAD | CAC | 164.4° | 180.0° |
CAK | CAJ | CAD | H3 | 180.0° | 179.7° |
CAJ | CAK | CAF | H4 | 180.0° | 179.7° |
CAK | CAJ | CAD | NAA | 179.5° | 180.0° |
CAK | CAJ | CAD | CAC | 0.5° | 0.0° |
CAJ | CAK | CAF | NAL | 179.6° | 180.0° |
CAJ | CAK | CAF | CAB | 0.7° | 0.5° |
CAD | CAJ | CAK | CAF | 0.3° | 0.3° |
CAJ | CAD | NAA | CAC | 180.0° | 180.0° |
CAJ | CAD | NAA | OAH | 160.2° | 180.0° |
CAJ | CAD | CAC | CAB | 0.8° | 0.0° |
CAJ | CAD | CAC | H2 | 179.1° | 180.0° |
CAD | CAJ | CAK | H4 | 179.7° | 180.0° |
CAK | CAF | NAL | CAO | 11.4° | 5.6° |
CAK | CAF | NAL | CAB | 179.7° | 179.5° |
CAK | CAF | CAB | CAC | 0.4° | 0.5° |
CAK | CAF | CAB | CAE | 179.3° | 179.8° |
CAF | CAK | CAJ | H3 | 179.7° | 180.0° |
CAK | CAF | NAL | H5 | 110.8° | 174.5° |
NAL | CAO | CAP | H6 | 120.7° | 120.0° |
NAL | CAO | CAP | H7 | 120.7° | 120.0° |
CAO | NAL | CAF | H5 | 122.2° | 180.0° |
CAO | NAL | CAF | CAB | 168.9° | 175.0° |
NAL | CAO | CAP | NAN | 86.9° | 180.0° |
NAL | CAO | H6 | H7 | 117.8° | 120.0° |
NAL | CAO | CAP | H8 | 32.5° | 60.0° |
NAL | CAO | CAP | H9 | 153.7° | 60.0° |
CAP | CAO | NAL | CAF | 134.7° | 180.0° |
CAO | CAP | NAN | H8 | 119.4° | 120.0° |
CAO | CAP | NAN | H9 | 119.4° | 120.1° |
CAP | CAO | NAL | H5 | 103.1° | 0.0° |
CAP | CAO | H6 | H7 | 117.8° | 120.0° |
CAO | CAP | H8 | H9 | 121.7° | 120.1° |
CAO | CAP | NAN | H10 | 180.0° | 56.0° |
CAO | CAP | NAN | H11 | 60.0° | 180.0° |
NAA | CAD | CAC | CAB | 179.2° | 180.0° |
NAA | CAD | CAC | H2 | 0.8° | 0.0° |
NAA | CAD | CAJ | H3 | 0.5° | 0.3° |
OAH | NAA | CAD | CAC | 19.9° | 0.0° |
CAD | CAC | CAB | CAF | 0.4° | 0.3° |
CAD | CAC | CAB | H2 | 180.0° | 180.0° |
CAD | CAC | CAB | CAE | 179.9° | 180.0° |
CAC | CAD | CAJ | H3 | 179.5° | 179.7° |
NAL | CAF | CAB | CAC | 179.9° | 180.0° |
NAL | CAF | CAB | CAE | 0.4° | 0.3° |
NAL | CAF | CAK | H4 | 0.4° | 0.3° |
CAF | NAL | CAO | H6 | 104.6° | 60.0° |
CAF | NAL | CAO | H7 | 14.0° | 59.9° |
CAF | CAB | CAC | CAE | 179.7° | 179.7° |
CAF | CAB | CAE | OAM | 162.7° | 6.1° |
CAF | CAB | CAE | OAI | 18.6° | 173.8° |
CAF | CAB | CAC | H2 | 179.6° | 179.7° |
CAB | CAF | CAK | H4 | 179.3° | 179.7° |
CAB | CAF | NAL | H5 | 68.9° | 5.0° |
CAC | CAB | CAE | OAM | 17.0° | 174.2° |
CAC | CAB | CAE | OAI | 161.7° | 5.9° |
CAB | CAE | OAM | OAI | 178.7° | 179.9° |
CAB | CAE | OAI | H1 | 178.7° | 180.0° |
CAE | CAB | CAC | H2 | 0.1° | 0.1° |
NAN | CAP | CAO | H6 | 152.4° | 60.0° |
NAN | CAP | CAO | H7 | 33.8° | 59.9° |
NAN | CAP | H8 | H9 | 121.7° | 120.0° |
CAP | NAN | H10 | H11 | 120.0° | 124.0° |
OAM | CAE | OAI | H1 | 0.0° | 0.1° |
H3 | CAJ | CAK | H4 | 0.3° | 0.3° |
H5 | NAL | CAO | H6 | 17.6° | 120.0° |
H5 | NAL | CAO | H7 | 136.2° | 120.0° |
H6 | CAO | CAP | H8 | 88.2° | 180.0° |
H6 | CAO | CAP | H9 | 33.0° | 60.0° |
H7 | CAO | CAP | H8 | 153.2° | 60.0° |
H7 | CAO | CAP | H9 | 85.6° | 180.0° |
H8 | CAP | NAN | H10 | 60.6° | 64.0° |
H8 | CAP | NAN | H11 | 179.4° | 60.0° |
H9 | CAP | NAN | H10 | 60.6° | 176.1° |
H9 | CAP | NAN | H11 | 59.4° | 60.0° |