0OM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAL | CAJ | doub | 1.32Å | 1.33Å | Aromatic |
NAL | CAF | sing | 1.32Å | 1.33Å | Aromatic |
CAJ | CAP | sing | 1.40Å | 1.40Å | Aromatic |
OAA | CAN | doub | 1.21Å | 1.23Å | |
CAF | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAP | CAN | sing | 1.48Å | 1.52Å | |
CAP | CAI | doub | 1.40Å | 1.39Å | Aromatic |
CAN | OAM | sing | 1.35Å | 1.37Å | |
CAE | CAI | sing | 1.38Å | 1.39Å | Aromatic |
OAM | CAK | sing | 1.45Å | 1.45Å | |
CAK | CAO | sing | 1.51Å | 1.39Å | |
CAO | CAH | doub | 1.38Å | 1.40Å | Aromatic |
CAO | CAG | sing | 1.38Å | 1.39Å | Aromatic |
CAH | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAG | CAC | doub | 1.38Å | 1.39Å | Aromatic |
CAD | CAB | doub | 1.38Å | 1.40Å | Aromatic |
CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
CAG | H1 | sing | 1.08Å | 1.08Å | |
CAC | H2 | sing | 1.08Å | 1.08Å | |
CAB | H3 | sing | 1.08Å | 1.08Å | |
CAD | H4 | sing | 1.08Å | 1.08Å | |
CAH | H5 | sing | 1.08Å | 1.08Å | |
CAK | H6 | sing | 1.09Å | 1.10Å | |
CAK | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.08Å | 1.08Å | |
CAE | H9 | sing | 1.08Å | 1.08Å | |
CAF | H10 | sing | 1.08Å | 1.08Å | |
CAJ | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAJ | NAL | CAF | 121.0° | 121.9° |
NAL | CAJ | CAP | 119.6° | 120.6° |
NAL | CAJ | H11 | 120.2° | 119.7° |
NAL | CAF | CAE | 122.7° | 121.1° |
NAL | CAF | H10 | 118.6° | 119.5° |
CAJ | CAP | CAN | 119.6° | 120.5° |
CAJ | CAP | CAI | 120.5° | 118.9° |
CAP | CAJ | H11 | 120.2° | 119.7° |
OAA | CAN | CAP | 120.3° | 120.0° |
OAA | CAN | OAM | 121.4° | 120.0° |
CAF | CAE | CAI | 117.9° | 119.3° |
CAF | CAE | H9 | 121.1° | 120.3° |
CAE | CAF | H10 | 118.6° | 119.5° |
CAN | CAP | CAI | 119.8° | 120.6° |
CAP | CAN | OAM | 118.3° | 120.0° |
CAP | CAI | CAE | 118.3° | 118.3° |
CAP | CAI | H8 | 120.8° | 120.9° |
CAN | OAM | CAK | 114.5° | 117.0° |
CAE | CAI | H8 | 120.8° | 120.8° |
CAI | CAE | H9 | 121.1° | 120.4° |
OAM | CAK | CAO | 119.8° | 109.5° |
OAM | CAK | H6 | 106.9° | 109.5° |
OAM | CAK | H7 | 106.8° | 109.4° |
CAK | CAO | CAH | 119.9° | 120.0° |
CAK | CAO | CAG | 119.6° | 120.0° |
CAO | CAK | H6 | 106.8° | 109.5° |
CAO | CAK | H7 | 106.9° | 109.5° |
CAH | CAO | CAG | 120.5° | 120.0° |
CAO | CAH | CAD | 119.9° | 120.0° |
CAO | CAH | H5 | 120.1° | 120.0° |
CAO | CAG | CAC | 119.5° | 120.0° |
CAO | CAG | H1 | 120.3° | 120.0° |
CAH | CAD | CAB | 119.6° | 120.0° |
CAH | CAD | H4 | 120.2° | 120.0° |
CAD | CAH | H5 | 120.0° | 119.9° |
CAG | CAC | CAB | 120.2° | 120.0° |
CAC | CAG | H1 | 120.2° | 120.0° |
CAG | CAC | H2 | 119.9° | 120.0° |
CAD | CAB | CAC | 120.3° | 120.0° |
CAD | CAB | H3 | 119.8° | 120.0° |
CAB | CAD | H4 | 120.2° | 120.0° |
CAB | CAC | H2 | 119.9° | 120.0° |
CAC | CAB | H3 | 119.9° | 119.9° |
H6 | CAK | H7 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAL | CAJ | CAP | H11 | 180.0° | 179.4° |
CAJ | NAL | CAF | CAE | 0.6° | 0.3° |
NAL | CAJ | CAP | CAN | 179.8° | 179.7° |
NAL | CAJ | CAP | CAI | 0.4° | 0.5° |
CAJ | NAL | CAF | H10 | 179.4° | 179.7° |
CAF | NAL | CAJ | CAP | 0.2° | 0.6° |
NAL | CAF | CAE | H10 | 180.0° | 180.0° |
NAL | CAF | CAE | CAI | 0.5° | 0.0° |
NAL | CAF | CAE | H9 | 179.5° | 180.0° |
CAF | NAL | CAJ | H11 | 179.8° | 180.0° |
CAJ | CAP | CAN | OAA | 67.7° | 179.7° |
CAJ | CAP | CAN | CAI | 179.4° | 179.8° |
CAJ | CAP | CAN | OAM | 110.3° | 0.2° |
CAJ | CAP | CAI | CAE | 0.5° | 0.2° |
CAJ | CAP | CAI | H8 | 179.5° | 179.8° |
OAA | CAN | CAP | OAM | 178.0° | 180.0° |
OAA | CAN | CAP | CAI | 112.9° | 0.0° |
OAA | CAN | OAM | CAK | 78.6° | 0.0° |
CAF | CAE | CAI | CAP | 0.1° | 0.1° |
CAF | CAE | CAI | H9 | 180.0° | 179.9° |
CAF | CAE | CAI | H8 | 179.9° | 179.9° |
CAN | CAP | CAI | CAE | 179.9° | 180.0° |
CAP | CAN | OAM | CAK | 103.4° | 180.0° |
CAN | CAP | CAI | H8 | 0.1° | 0.0° |
CAN | CAP | CAJ | H11 | 0.2° | 0.2° |
CAI | CAP | CAN | OAM | 69.1° | 180.0° |
CAP | CAI | CAE | H8 | 180.0° | 180.0° |
CAP | CAI | CAE | H9 | 179.9° | 180.0° |
CAI | CAP | CAJ | H11 | 179.6° | 180.0° |
CAN | OAM | CAK | CAO | 152.8° | 180.0° |
CAN | OAM | CAK | H6 | 85.8° | 60.0° |
CAN | OAM | CAK | H7 | 31.3° | 60.0° |
CAI | CAE | CAF | H10 | 179.5° | 180.0° |
OAM | CAK | CAO | H6 | 121.5° | 120.0° |
OAM | CAK | CAO | H7 | 121.5° | 120.0° |
OAM | CAK | CAO | CAH | 18.3° | 90.0° |
OAM | CAK | CAO | CAG | 161.2° | 90.6° |
OAM | CAK | H6 | H7 | 115.3° | 119.9° |
CAK | CAO | CAH | CAG | 179.5° | 179.5° |
CAK | CAO | CAH | CAD | 179.5° | 180.0° |
CAK | CAO | CAG | CAC | 179.6° | 180.0° |
CAK | CAO | CAG | H1 | 0.3° | 0.3° |
CAK | CAO | CAH | H5 | 0.5° | 0.2° |
CAO | CAK | H6 | H7 | 115.4° | 120.0° |
CAO | CAH | CAD | H5 | 180.0° | 179.8° |
CAH | CAO | CAG | CAC | 0.2° | 0.5° |
CAO | CAH | CAD | CAB | 0.1° | 0.2° |
CAH | CAO | CAG | H1 | 179.8° | 179.8° |
CAO | CAH | CAD | H4 | 179.9° | 179.8° |
CAH | CAO | CAK | H6 | 103.2° | 150.0° |
CAH | CAO | CAK | H7 | 139.7° | 30.0° |
CAG | CAO | CAH | CAD | 0.0° | 0.5° |
CAO | CAG | CAC | H1 | 180.0° | 179.7° |
CAO | CAG | CAC | CAB | 0.3° | 0.2° |
CAO | CAG | CAC | H2 | 179.7° | 179.7° |
CAG | CAO | CAH | H5 | 180.0° | 179.7° |
CAG | CAO | CAK | H6 | 77.3° | 29.5° |
CAG | CAO | CAK | H7 | 39.7° | 149.5° |
CAH | CAD | CAB | H4 | 180.0° | 180.0° |
CAH | CAD | CAB | CAC | 0.1° | 0.1° |
CAH | CAD | CAB | H3 | 179.9° | 179.9° |
CAG | CAC | CAB | CAD | 0.2° | 0.1° |
CAG | CAC | CAB | H2 | 180.0° | 179.9° |
CAG | CAC | CAB | H3 | 179.7° | 179.9° |
CAD | CAB | CAC | H3 | 180.0° | 179.9° |
CAD | CAB | CAC | H2 | 179.8° | 180.0° |
CAB | CAD | CAH | H5 | 179.9° | 180.0° |
CAB | CAC | CAG | H1 | 179.7° | 179.9° |
CAC | CAB | CAD | H4 | 179.9° | 179.9° |
H1 | CAG | CAC | H2 | 0.3° | 0.0° |
H2 | CAC | CAB | H3 | 0.3° | 0.1° |
H3 | CAB | CAD | H4 | 0.1° | 0.1° |
H4 | CAD | CAH | H5 | 0.1° | 0.0° |
H8 | CAI | CAE | H9 | 0.1° | 0.0° |
H9 | CAE | CAF | H10 | 0.5° | 0.1° |