ICO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAD | sing | 1.39Å | 1.39Å | Aromatic |
CAA | CAB | doub | 1.40Å | 1.39Å | Aromatic |
CAA | CAC | sing | 1.48Å | 1.39Å | Aromatic |
CAD | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAI | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAF | CAB | sing | 1.39Å | 1.39Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAB | NAE | sing | 1.38Å | 1.33Å | Aromatic |
NAE | CAG | sing | 1.35Å | 1.33Å | Aromatic |
NAE | HAE | sing | 0.97Å | 1.00Å | |
CAG | CAC | doub | 1.36Å | 1.33Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAC | CAH | sing | 1.47Å | 1.53Å | |
CAH | OAL | sing | 1.35Å | 1.22Å | |
CAH | OAK | doub | 1.22Å | 1.24Å | |
OAL | HAL | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAD | CAA | CAB | 121.0° | 120.1° |
CAD | CAA | CAC | 134.0° | 134.0° |
CAA | CAD | CAI | 119.3° | 119.6° |
CAA | CAD | HAD | 120.4° | 120.2° |
CAB | CAA | CAC | 105.0° | 105.9° |
CAA | CAB | CAF | 119.5° | 119.4° |
CAA | CAB | NAE | 107.8° | 107.5° |
CAA | CAC | CAG | 109.0° | 106.4° |
CAA | CAC | CAH | 126.1° | 126.8° |
CAI | CAD | HAD | 120.3° | 120.2° |
CAD | CAI | CAJ | 120.0° | 120.3° |
CAD | CAI | HAI | 120.0° | 119.9° |
CAJ | CAI | HAI | 120.0° | 119.8° |
CAI | CAJ | CAF | 120.3° | 120.6° |
CAI | CAJ | HAJ | 119.8° | 119.6° |
CAF | CAJ | HAJ | 119.8° | 119.7° |
CAJ | CAF | CAB | 120.0° | 119.9° |
CAJ | CAF | HAF | 120.0° | 120.0° |
CAB | CAF | HAF | 120.0° | 120.0° |
CAF | CAB | NAE | 132.7° | 133.2° |
CAB | NAE | CAG | 110.1° | 110.5° |
CAB | NAE | HAE | 125.0° | 124.8° |
CAG | NAE | HAE | 125.0° | 124.7° |
NAE | CAG | CAC | 108.1° | 109.8° |
NAE | CAG | HAG | 125.9° | 125.1° |
CAC | CAG | HAG | 126.0° | 125.1° |
CAG | CAC | CAH | 124.8° | 126.8° |
CAC | CAH | OAL | 120.7° | 120.0° |
CAC | CAH | OAK | 120.3° | 120.0° |
OAL | CAH | OAK | 119.0° | 120.0° |
CAH | OAL | HAL | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAD | CAA | CAB | CAC | 179.9° | 179.2° |
CAA | CAD | CAI | HAD | 180.0° | 179.7° |
CAA | CAD | CAI | CAJ | 0.0° | 0.3° |
CAA | CAD | CAI | HAI | 180.0° | 179.7° |
CAD | CAA | CAB | CAF | 0.2° | 0.6° |
CAD | CAA | CAB | NAE | 180.0° | 179.6° |
CAD | CAA | CAC | CAG | 179.9° | 179.4° |
CAD | CAA | CAC | CAH | 1.2° | 0.8° |
CAB | CAA | CAD | CAI | 0.1° | 0.6° |
CAB | CAA | CAD | HAD | 179.9° | 179.7° |
CAA | CAB | CAF | CAJ | 0.2° | 0.2° |
CAA | CAB | CAF | NAE | 179.7° | 179.8° |
CAA | CAB | CAF | HAF | 179.8° | 179.7° |
CAA | CAB | NAE | CAG | 0.3° | 0.3° |
CAA | CAB | NAE | HAE | 179.7° | 179.7° |
CAB | CAA | CAC | CAG | 0.0° | 0.4° |
CAB | CAA | CAC | CAH | 178.7° | 179.9° |
CAC | CAA | CAD | CAI | 180.0° | 179.6° |
CAC | CAA | CAD | HAD | 0.0° | 0.8° |
CAC | CAA | CAB | CAF | 179.9° | 179.8° |
CAC | CAA | CAB | NAE | 0.1° | 0.4° |
CAA | CAC | CAG | NAE | 0.2° | 0.2° |
CAA | CAC | CAG | CAH | 178.7° | 179.8° |
CAA | CAC | CAG | HAG | 179.8° | 179.8° |
CAA | CAC | CAH | OAL | 177.2° | 179.8° |
CAA | CAC | CAH | OAK | 2.8° | 0.3° |
CAD | CAI | CAJ | HAI | 180.0° | 180.0° |
CAD | CAI | CAJ | CAF | 0.1° | 0.0° |
CAD | CAI | CAJ | HAJ | 179.9° | 180.0° |
HAD | CAD | CAI | CAJ | 180.0° | 180.0° |
HAD | CAD | CAI | HAI | 0.0° | 0.0° |
CAI | CAJ | CAF | HAJ | 180.0° | 180.0° |
CAI | CAJ | CAF | CAB | 0.1° | 0.0° |
CAI | CAJ | CAF | HAF | 180.0° | 180.0° |
HAI | CAI | CAJ | CAF | 180.0° | 180.0° |
HAI | CAI | CAJ | HAJ | 0.1° | 0.0° |
CAJ | CAF | CAB | HAF | 180.0° | 180.0° |
CAJ | CAF | CAB | NAE | 179.9° | 180.0° |
HAJ | CAJ | CAF | CAB | 180.0° | 180.0° |
HAJ | CAJ | CAF | HAF | 0.0° | 0.0° |
CAF | CAB | NAE | CAG | 180.0° | 179.9° |
CAF | CAB | NAE | HAE | 0.0° | 0.1° |
HAF | CAF | CAB | NAE | 0.2° | 0.1° |
CAB | NAE | CAG | HAE | 180.0° | 180.0° |
CAB | NAE | CAG | CAC | 0.3° | 0.0° |
CAB | NAE | CAG | HAG | 179.7° | 180.0° |
NAE | CAG | CAC | HAG | 180.0° | 180.0° |
NAE | CAG | CAC | CAH | 178.9° | 180.0° |
HAE | NAE | CAG | CAC | 179.7° | 180.0° |
HAE | NAE | CAG | HAG | 0.3° | 0.0° |
CAG | CAC | CAH | OAL | 4.4° | 0.0° |
CAG | CAC | CAH | OAK | 175.6° | 180.0° |
HAG | CAG | CAC | CAH | 1.2° | 0.0° |
CAC | CAH | OAL | OAK | 180.0° | 180.0° |
CAC | CAH | OAL | HAL | 180.0° | 180.0° |
OAK | CAH | OAL | HAL | 0.0° | 0.0° |