G8O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAN | CAG | sing | 1.43Å | 1.40Å | |
OAN | CAE | sing | 1.36Å | 1.41Å | |
CAM | CAL | doub | 1.33Å | 1.46Å | Aromatic |
CAM | SAR | sing | 1.76Å | 1.60Å | Aromatic |
CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
CAE | CAF | sing | 1.40Å | 1.40Å | Aromatic |
CAL | CAK | sing | 1.38Å | 1.64Å | Aromatic |
SAR | CAJ | sing | 1.76Å | 1.61Å | Aromatic |
CAD | CAC | sing | 1.39Å | 1.38Å | Aromatic |
CAJ | CAK | doub | 1.35Å | 1.47Å | Aromatic |
CAJ | CAF | sing | 1.48Å | 1.53Å | |
CAF | CAA | doub | 1.39Å | 1.37Å | Aromatic |
CAC | OAO | sing | 1.36Å | 1.40Å | |
CAC | CAB | doub | 1.40Å | 1.38Å | Aromatic |
CAA | CAB | sing | 1.40Å | 1.37Å | Aromatic |
OAO | CAH | sing | 1.43Å | 1.40Å | |
CAB | CAI | sing | 1.47Å | 1.52Å | |
OAQ | CAI | doub | 1.21Å | 1.18Å | |
CAA | H1 | sing | 1.08Å | 1.08Å | |
CAD | H2 | sing | 1.08Å | 1.08Å | |
CAG | H3 | sing | 1.09Å | 1.10Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
CAG | H5 | sing | 1.09Å | 1.10Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAH | H8 | sing | 1.09Å | 1.10Å | |
CAK | H10 | sing | 1.08Å | 1.08Å | |
CAL | H11 | sing | 1.08Å | 1.08Å | |
CAM | H12 | sing | 1.08Å | 1.08Å | |
CAI | OAP | sing | 1.35Å | 78.31Å | |
OAP | H9 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAG | OAN | CAE | 118.5° | 117.0° |
OAN | CAG | H3 | 109.5° | 109.5° |
OAN | CAG | H4 | 109.5° | 109.5° |
OAN | CAG | H5 | 109.5° | 109.5° |
OAN | CAE | CAD | 120.8° | 120.0° |
OAN | CAE | CAF | 120.6° | 119.9° |
CAL | CAM | SAR | 107.8° | 109.8° |
CAM | CAL | CAK | 108.5° | 115.1° |
CAM | CAL | H11 | 125.7° | 122.5° |
CAL | CAM | H12 | 126.1° | 125.1° |
CAM | SAR | CAJ | 107.5° | 91.0° |
SAR | CAM | H12 | 126.1° | 125.1° |
CAD | CAE | CAF | 118.6° | 120.1° |
CAE | CAD | CAC | 121.4° | 120.2° |
CAE | CAD | H2 | 119.3° | 119.9° |
CAE | CAF | CAJ | 126.1° | 120.0° |
CAE | CAF | CAA | 118.9° | 120.0° |
CAL | CAK | CAJ | 109.1° | 114.7° |
CAL | CAK | H10 | 125.5° | 122.7° |
CAK | CAL | H11 | 125.7° | 122.4° |
SAR | CAJ | CAK | 107.1° | 109.5° |
SAR | CAJ | CAF | 129.9° | 125.3° |
CAD | CAC | OAO | 120.5° | 119.9° |
CAD | CAC | CAB | 119.1° | 120.0° |
CAC | CAD | H2 | 119.3° | 120.0° |
CAK | CAJ | CAF | 123.0° | 125.3° |
CAJ | CAK | H10 | 125.5° | 122.6° |
CAJ | CAF | CAA | 114.9° | 120.0° |
CAF | CAA | CAB | 122.3° | 119.8° |
CAF | CAA | H1 | 118.8° | 120.1° |
OAO | CAC | CAB | 120.2° | 120.0° |
CAC | OAO | CAH | 114.3° | 117.0° |
CAC | CAB | CAA | 119.4° | 119.9° |
CAC | CAB | CAI | 121.1° | 120.1° |
CAA | CAB | CAI | 118.5° | 120.0° |
CAB | CAA | H1 | 118.9° | 120.1° |
OAO | CAH | H6 | 109.5° | 109.5° |
OAO | CAH | H7 | 109.4° | 109.5° |
OAO | CAH | H8 | 109.5° | 109.5° |
CAB | CAI | OAQ | 123.4° | 120.0° |
CAB | CAI | OAP | 81.4° | 120.0° |
OAQ | CAI | OAP | 86.2° | 120.0° |
H3 | CAG | H4 | 109.5° | 109.4° |
H3 | CAG | H5 | 109.5° | 109.5° |
H4 | CAG | H5 | 109.5° | 109.5° |
H6 | CAH | H7 | 109.5° | 109.5° |
H6 | CAH | H8 | 109.4° | 109.5° |
H7 | CAH | H8 | 109.5° | 109.4° |
CAI | OAP | H9 | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAG | OAN | CAE | CAD | 31.7° | 0.0° |
CAG | OAN | CAE | CAF | 150.5° | 179.7° |
OAN | CAG | H3 | H4 | 120.0° | 120.0° |
OAN | CAG | H3 | H5 | 120.0° | 120.0° |
OAN | CAG | H4 | H5 | 120.0° | 120.1° |
OAN | CAE | CAD | CAF | 177.8° | 179.7° |
OAN | CAE | CAD | CAC | 179.2° | 179.9° |
OAN | CAE | CAF | CAJ | 0.3° | 0.3° |
OAN | CAE | CAF | CAA | 176.4° | 179.7° |
OAN | CAE | CAD | H2 | 0.8° | 0.0° |
CAE | OAN | CAG | H3 | 180.0° | 60.0° |
CAE | OAN | CAG | H4 | 60.0° | 60.0° |
CAE | OAN | CAG | H5 | 60.0° | 180.0° |
CAL | CAM | SAR | H12 | 180.0° | 179.7° |
CAM | CAL | CAK | H11 | 180.0° | 179.9° |
CAL | CAM | SAR | CAJ | 1.3° | 0.3° |
CAM | CAL | CAK | CAJ | 0.4° | 0.0° |
CAM | CAL | CAK | H10 | 179.6° | 180.0° |
SAR | CAM | CAL | CAK | 0.6° | 0.3° |
CAM | SAR | CAJ | CAK | 1.5° | 0.3° |
CAM | SAR | CAJ | CAF | 179.2° | 179.9° |
SAR | CAM | CAL | H11 | 179.4° | 179.8° |
CAE | CAD | CAC | H2 | 180.0° | 179.9° |
CAD | CAE | CAF | CAJ | 177.5° | 180.0° |
CAD | CAE | CAF | CAA | 1.5° | 0.6° |
CAE | CAD | CAC | OAO | 179.3° | 180.0° |
CAE | CAD | CAC | CAB | 5.0° | 0.1° |
CAE | CAF | CAJ | SAR | 32.2° | 50.3° |
CAF | CAE | CAD | CAC | 1.4° | 0.4° |
CAE | CAF | CAJ | CAK | 150.5° | 130.0° |
CAE | CAF | CAJ | CAA | 176.2° | 179.4° |
CAE | CAF | CAA | CAB | 0.6° | 0.5° |
CAE | CAF | CAA | H1 | 179.4° | 179.7° |
CAF | CAE | CAD | H2 | 178.7° | 179.7° |
CAL | CAK | CAJ | SAR | 1.1° | 0.2° |
CAL | CAK | CAJ | H10 | 180.0° | 180.0° |
CAL | CAK | CAJ | CAF | 179.0° | 180.0° |
CAK | CAL | CAM | H12 | 179.4° | 180.0° |
SAR | CAJ | CAK | CAF | 177.9° | 179.8° |
SAR | CAJ | CAF | CAA | 151.6° | 129.2° |
SAR | CAJ | CAK | H10 | 178.8° | 179.8° |
CAJ | SAR | CAM | H12 | 178.7° | 179.9° |
CAD | CAC | OAO | CAB | 175.6° | 180.0° |
CAD | CAC | CAB | CAA | 5.8° | 0.0° |
CAD | CAC | OAO | CAH | 79.6° | 0.0° |
CAD | CAC | CAB | CAI | 174.1° | 180.0° |
CAK | CAJ | CAF | CAA | 25.7° | 50.6° |
CAJ | CAK | CAL | H11 | 179.6° | 180.0° |
CAJ | CAF | CAA | CAB | 177.1° | 180.0° |
CAJ | CAF | CAA | H1 | 2.9° | 0.3° |
CAF | CAJ | CAK | H10 | 1.0° | 0.0° |
CAF | CAA | CAB | CAC | 3.1° | 0.3° |
CAF | CAA | CAB | H1 | 180.0° | 179.7° |
CAF | CAA | CAB | CAI | 171.7° | 179.8° |
OAO | CAC | CAB | CAA | 178.5° | 180.0° |
OAO | CAC | CAB | CAI | 10.2° | 0.0° |
OAO | CAC | CAD | H2 | 0.6° | 0.0° |
CAC | OAO | CAH | H6 | 180.0° | 60.0° |
CAC | OAO | CAH | H7 | 60.0° | 60.0° |
CAC | OAO | CAH | H8 | 60.0° | 179.9° |
CAC | CAB | CAA | CAI | 168.6° | 180.0° |
CAB | CAC | OAO | CAH | 104.8° | 180.0° |
CAC | CAB | CAI | OAQ | 87.2° | 0.0° |
CAC | CAB | CAA | H1 | 176.9° | 180.0° |
CAB | CAC | CAD | H2 | 175.0° | 180.0° |
CAC | CAB | CAI | OAP | 7.7° | 180.0° |
CAA | CAB | CAI | OAQ | 104.3° | 180.0° |
CAA | CAB | CAI | OAP | 176.1° | 0.0° |
OAO | CAH | H6 | H7 | 120.0° | 120.0° |
OAO | CAH | H6 | H8 | 120.0° | 120.0° |
OAO | CAH | H7 | H8 | 120.0° | 120.0° |
CAB | CAI | OAQ | OAP | 77.0° | 180.0° |
CAI | CAB | CAA | H1 | 8.3° | 0.0° |
CAB | CAI | OAP | H9 | 90.0° | 180.0° |
OAQ | CAI | OAP | H9 | 90.0° | 0.0° |
H3 | CAG | H4 | H5 | 120.0° | 120.0° |
H6 | CAH | H7 | H8 | 120.0° | 120.0° |
H10 | CAK | CAL | H11 | 0.4° | 0.1° |
H11 | CAL | CAM | H12 | 0.6° | 0.1° |