0ON
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
CAB | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAG | sing | 1.38Å | 1.39Å | Aromatic |
CAD | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAN | doub | 1.39Å | 1.40Å | Aromatic |
CAH | CAN | sing | 1.39Å | 1.39Å | Aromatic |
CAN | NAL | sing | 1.40Å | 1.33Å | |
NAL | CAM | sing | 1.35Å | 1.34Å | |
CAM | OAA | doub | 1.22Å | 1.24Å | |
CAM | CAO | sing | 1.48Å | 1.55Å | |
CAJ | CAO | doub | 1.40Å | 1.40Å | Aromatic |
CAJ | NAK | sing | 1.32Å | 1.33Å | Aromatic |
CAO | CAI | sing | 1.40Å | 1.40Å | Aromatic |
NAK | CAF | doub | 1.32Å | 1.33Å | Aromatic |
CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAE | sing | 1.38Å | 1.40Å | 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 | |
NAL | H6 | sing | 0.97Å | 1.00Å | |
CAI | H7 | sing | 1.08Å | 1.08Å | |
CAE | H8 | sing | 1.08Å | 1.08Å | |
CAF | H9 | sing | 1.08Å | 1.08Å | |
CAJ | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAB | CAD | 120.5° | 120.2° |
CAB | CAC | CAG | 119.3° | 120.0° |
CAB | CAC | H2 | 120.4° | 120.0° |
CAC | CAB | H3 | 119.7° | 119.9° |
CAB | CAD | CAH | 120.8° | 120.1° |
CAD | CAB | H3 | 119.7° | 119.9° |
CAB | CAD | H4 | 119.6° | 120.0° |
CAC | CAG | CAN | 120.1° | 120.0° |
CAC | CAG | H1 | 120.0° | 120.0° |
CAG | CAC | H2 | 120.3° | 120.0° |
CAD | CAH | CAN | 118.7° | 119.9° |
CAH | CAD | H4 | 119.6° | 120.0° |
CAD | CAH | H5 | 120.6° | 120.0° |
CAG | CAN | CAH | 120.6° | 119.8° |
CAG | CAN | NAL | 121.3° | 120.1° |
CAN | CAG | H1 | 120.0° | 120.0° |
CAH | CAN | NAL | 118.0° | 120.1° |
CAN | CAH | H5 | 120.7° | 120.0° |
CAN | NAL | CAM | 123.4° | 120.0° |
CAN | NAL | H6 | 118.3° | 120.0° |
NAL | CAM | OAA | 124.3° | 120.0° |
NAL | CAM | CAO | 113.9° | 120.0° |
CAM | NAL | H6 | 118.3° | 120.0° |
OAA | CAM | CAO | 121.8° | 119.9° |
CAM | CAO | CAJ | 120.2° | 120.5° |
CAM | CAO | CAI | 120.0° | 120.6° |
CAO | CAJ | NAK | 120.5° | 120.5° |
CAJ | CAO | CAI | 119.7° | 118.9° |
CAO | CAJ | H10 | 119.8° | 119.7° |
CAJ | NAK | CAF | 121.0° | 121.9° |
NAK | CAJ | H10 | 119.7° | 119.7° |
CAO | CAI | CAE | 118.4° | 118.3° |
CAO | CAI | H7 | 120.8° | 120.8° |
NAK | CAF | CAE | 121.9° | 121.1° |
NAK | CAF | H9 | 119.1° | 119.5° |
CAI | CAE | CAF | 118.5° | 119.3° |
CAE | CAI | H7 | 120.8° | 120.9° |
CAI | CAE | H8 | 120.8° | 120.3° |
CAF | CAE | H8 | 120.8° | 120.3° |
CAE | CAF | H9 | 119.0° | 119.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAB | CAD | H3 | 180.0° | 180.0° |
CAB | CAC | CAG | H2 | 180.0° | 179.9° |
CAC | CAB | CAD | CAH | 0.4° | 0.0° |
CAB | CAC | CAG | CAN | 0.8° | 0.1° |
CAB | CAC | CAG | H1 | 179.2° | 179.8° |
CAC | CAB | CAD | H4 | 179.7° | 179.9° |
CAD | CAB | CAC | CAG | 0.4° | 0.1° |
CAB | CAD | CAH | H4 | 180.0° | 180.0° |
CAB | CAD | CAH | CAN | 0.7° | 0.0° |
CAD | CAB | CAC | H2 | 179.6° | 180.0° |
CAB | CAD | CAH | H5 | 179.3° | 179.9° |
CAC | CAG | CAN | H1 | 180.0° | 179.7° |
CAC | CAG | CAN | CAH | 0.5° | 0.1° |
CAC | CAG | CAN | NAL | 179.9° | 179.7° |
CAG | CAC | CAB | H3 | 179.6° | 180.0° |
CAD | CAH | CAN | CAG | 0.2° | 0.0° |
CAD | CAH | CAN | H5 | 180.0° | 179.9° |
CAD | CAH | CAN | NAL | 179.1° | 179.7° |
CAH | CAD | CAB | H3 | 179.6° | 180.0° |
CAG | CAN | CAH | NAL | 179.4° | 179.7° |
CAG | CAN | NAL | CAM | 61.9° | 33.4° |
CAN | CAG | CAC | H2 | 179.2° | 180.0° |
CAG | CAN | CAH | H5 | 179.7° | 180.0° |
CAG | CAN | NAL | H6 | 118.1° | 146.7° |
CAH | CAN | NAL | CAM | 118.7° | 146.9° |
CAH | CAN | CAG | H1 | 179.5° | 179.8° |
CAN | CAH | CAD | H4 | 179.3° | 179.9° |
CAH | CAN | NAL | H6 | 61.3° | 33.0° |
CAN | NAL | CAM | H6 | 180.0° | 179.9° |
CAN | NAL | CAM | OAA | 2.2° | 5.3° |
CAN | NAL | CAM | CAO | 177.4° | 174.8° |
NAL | CAN | CAG | H1 | 0.1° | 0.1° |
NAL | CAN | CAH | H5 | 0.9° | 0.2° |
NAL | CAM | OAA | CAO | 179.5° | 180.0° |
NAL | CAM | CAO | CAJ | 35.0° | 0.3° |
NAL | CAM | CAO | CAI | 143.5° | 180.0° |
OAA | CAM | CAO | CAJ | 145.4° | 179.7° |
OAA | CAM | CAO | CAI | 36.0° | 0.1° |
OAA | CAM | NAL | H6 | 177.9° | 174.7° |
CAM | CAO | CAJ | CAI | 178.6° | 179.8° |
CAM | CAO | CAJ | NAK | 179.6° | 179.7° |
CAM | CAO | CAI | CAE | 179.5° | 180.0° |
CAO | CAM | NAL | H6 | 2.6° | 5.3° |
CAM | CAO | CAI | H7 | 0.5° | 0.0° |
CAM | CAO | CAJ | H10 | 0.4° | 0.0° |
CAO | CAJ | NAK | H10 | 180.0° | 179.8° |
CAO | CAJ | NAK | CAF | 0.4° | 0.5° |
CAJ | CAO | CAI | CAE | 0.9° | 0.2° |
CAJ | CAO | CAI | H7 | 179.1° | 179.8° |
NAK | CAJ | CAO | CAI | 1.0° | 0.5° |
CAJ | NAK | CAF | CAE | 0.3° | 0.3° |
CAJ | NAK | CAF | H9 | 179.7° | 179.7° |
CAO | CAI | CAE | H7 | 180.0° | 180.0° |
CAO | CAI | CAE | CAF | 0.2° | 0.1° |
CAO | CAI | CAE | H8 | 179.8° | 180.0° |
CAI | CAO | CAJ | H10 | 179.0° | 179.7° |
NAK | CAF | CAE | CAI | 0.4° | 0.0° |
NAK | CAF | CAE | H9 | 180.0° | 179.9° |
NAK | CAF | CAE | H8 | 179.6° | 180.0° |
CAF | NAK | CAJ | H10 | 179.6° | 179.7° |
CAI | CAE | CAF | H8 | 180.0° | 180.0° |
CAI | CAE | CAF | H9 | 179.6° | 180.0° |
CAF | CAE | CAI | H7 | 179.8° | 180.0° |
H1 | CAG | CAC | H2 | 0.8° | 0.3° |
H2 | CAC | CAB | H3 | 0.4° | 0.1° |
H3 | CAB | CAD | H4 | 0.3° | 0.1° |
H4 | CAD | CAH | H5 | 0.7° | 0.0° |
H7 | CAI | CAE | H8 | 0.2° | 0.0° |
H8 | CAE | CAF | H9 | 0.4° | 0.1° |