DYT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAI | doub | 1.21Å | 1.25Å | |
CAI | OAB | sing | 1.34Å | 1.26Å | |
CAI | CAK | sing | 1.51Å | 1.51Å | |
NAG | CAE | sing | 1.34Å | 1.38Å | Aromatic |
NAG | CAD | doub | 1.30Å | 1.37Å | Aromatic |
CAE | CAJ | doub | 1.35Å | 1.38Å | Aromatic |
CAD | NAH | sing | 1.35Å | 1.38Å | Aromatic |
CAK | CL1 | sing | 1.80Å | 1.75Å | |
CAK | CAF | sing | 1.53Å | 1.51Å | |
CAJ | NAH | sing | 1.37Å | 1.37Å | Aromatic |
CAJ | CAF | sing | 1.51Å | 1.51Å | |
OAB | H1 | sing | 0.97Å | 0.95Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAF | HAG | sing | 1.09Å | 1.10Å | |
CAF | HAF | sing | 1.09Å | 1.10Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
NAH | HAH | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAI | OAB | 120.3° | 120.0° |
OAA | CAI | CAK | 120.1° | 120.0° |
OAB | CAI | CAK | 119.5° | 120.0° |
CAI | OAB | H1 | 109.5° | 117.0° |
CAI | CAK | CL1 | 108.1° | 109.5° |
CAI | CAK | CAF | 111.6° | 109.5° |
CAI | CAK | HAK | 110.6° | 109.5° |
CAE | NAG | CAD | 108.3° | 109.3° |
NAG | CAE | CAJ | 107.6° | 108.0° |
NAG | CAE | HAE | 126.2° | 126.0° |
NAG | CAD | NAH | 107.9° | 108.6° |
NAG | CAD | HAD | 126.1° | 125.7° |
CAE | CAJ | NAH | 108.1° | 106.8° |
CAE | CAJ | CAF | 126.8° | 126.6° |
CAJ | CAE | HAE | 126.2° | 126.0° |
CAD | NAH | CAJ | 108.1° | 107.2° |
NAH | CAD | HAD | 126.0° | 125.7° |
CAD | NAH | HAH | 125.9° | 126.3° |
CL1 | CAK | CAF | 107.9° | 109.5° |
CL1 | CAK | HAK | 107.8° | 109.4° |
CAK | CAF | CAJ | 112.6° | 109.5° |
CAF | CAK | HAK | 110.6° | 109.5° |
CAK | CAF | HAG | 108.7° | 109.5° |
CAK | CAF | HAF | 108.7° | 109.5° |
NAH | CAJ | CAF | 125.1° | 126.5° |
CAJ | NAH | HAH | 126.0° | 126.4° |
CAJ | CAF | HAG | 108.7° | 109.5° |
CAJ | CAF | HAF | 108.7° | 109.4° |
HAG | CAF | HAF | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAI | OAB | CAK | 178.3° | 179.7° |
OAA | CAI | CAK | CL1 | 127.6° | 75.0° |
OAA | CAI | CAK | CAF | 113.9° | 45.0° |
OAA | CAI | OAB | H1 | 0.0° | 0.0° |
OAA | CAI | CAK | HAK | 9.8° | 165.0° |
OAB | CAI | CAK | CL1 | 50.7° | 104.7° |
OAB | CAI | CAK | CAF | 67.8° | 135.3° |
OAB | CAI | CAK | HAK | 168.5° | 15.3° |
CAI | CAK | CL1 | CAF | 120.9° | 120.0° |
CAI | CAK | CL1 | HAK | 119.6° | 120.0° |
CAI | CAK | CAF | HAK | 123.7° | 120.0° |
CAI | CAK | CAF | CAJ | 53.3° | 175.0° |
CAK | CAI | OAB | H1 | 178.3° | 179.7° |
CAI | CAK | CAF | HAG | 173.8° | 65.0° |
CAI | CAK | CAF | HAF | 67.2° | 55.0° |
NAG | CAE | CAJ | HAE | 180.0° | 180.0° |
CAE | NAG | CAD | NAH | 0.1° | 0.0° |
NAG | CAE | CAJ | NAH | 0.4° | 0.0° |
NAG | CAE | CAJ | CAF | 179.1° | 179.7° |
CAE | NAG | CAD | HAD | 179.9° | 179.9° |
CAD | NAG | CAE | CAJ | 0.2° | 0.0° |
NAG | CAD | NAH | HAD | 180.0° | 179.9° |
NAG | CAD | NAH | CAJ | 0.4° | 0.0° |
CAD | NAG | CAE | HAE | 179.8° | 180.0° |
NAG | CAD | NAH | HAH | 179.7° | 179.7° |
CAE | CAJ | NAH | CAD | 0.5° | 0.0° |
CAE | CAJ | CAF | CAK | 49.1° | 84.7° |
CAE | CAJ | NAH | CAF | 178.7° | 179.7° |
CAE | CAJ | CAF | HAG | 71.3° | 155.3° |
CAE | CAJ | CAF | HAF | 169.6° | 35.3° |
CAE | CAJ | NAH | HAH | 179.5° | 179.7° |
CAD | NAH | CAJ | HAH | 180.0° | 179.7° |
CAD | NAH | CAJ | CAF | 179.2° | 179.7° |
CL1 | CAK | CAF | HAK | 117.7° | 120.0° |
CL1 | CAK | CAF | CAJ | 171.9° | 65.0° |
CL1 | CAK | CAF | HAG | 67.6° | 55.0° |
CL1 | CAK | CAF | HAF | 51.5° | 175.0° |
CAK | CAF | CAJ | NAH | 132.4° | 95.0° |
CAK | CAF | CAJ | HAG | 120.4° | 120.0° |
CAK | CAF | CAJ | HAF | 120.5° | 120.0° |
CAK | CAF | HAG | HAF | 118.5° | 120.0° |
NAH | CAJ | CAF | HAG | 107.1° | 25.0° |
NAH | CAJ | CAF | HAF | 12.0° | 145.0° |
NAH | CAJ | CAE | HAE | 179.6° | 180.0° |
CAJ | NAH | CAD | HAD | 179.6° | 179.9° |
CAJ | CAF | CAK | HAK | 70.4° | 54.9° |
CAJ | CAF | HAG | HAF | 118.6° | 120.0° |
CAF | CAJ | CAE | HAE | 0.9° | 0.2° |
CAF | CAJ | NAH | HAH | 0.8° | 0.0° |
HAK | CAK | CAF | HAG | 50.1° | 175.0° |
HAK | CAK | CAF | HAF | 169.1° | 65.0° |
HAD | CAD | NAH | HAH | 0.3° | 0.4° |