SVN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
CAB | NAE | sing | 1.32Å | 1.40Å | Aromatic |
CAC | NAF | sing | 1.31Å | 1.40Å | Aromatic |
NAE | CAI | doub | 1.33Å | 1.34Å | Aromatic |
NAF | CAJ | doub | 1.34Å | 1.34Å | Aromatic |
CAI | CAJ | sing | 1.40Å | 1.34Å | Aromatic |
CAI | SAG | sing | 1.76Å | 1.71Å | Aromatic |
CAJ | CAH | sing | 1.46Å | 1.34Å | Aromatic |
CAH | NAA | sing | 1.41Å | 1.33Å | |
CAH | CAD | doub | 1.32Å | 1.33Å | Aromatic |
SAG | CAD | sing | 1.75Å | 1.70Å | Aromatic |
CAD | H1 | sing | 1.08Å | 1.08Å | |
CAB | H2 | sing | 1.08Å | 1.08Å | |
CAC | H3 | sing | 1.08Å | 1.08Å | |
NAA | H4 | sing | 0.97Å | 1.00Å | |
NAA | H5 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAB | NAE | 117.8° | 120.2° |
CAB | CAC | NAF | 117.8° | 120.5° |
CAC | CAB | H2 | 121.1° | 120.0° |
CAB | CAC | H3 | 121.1° | 119.8° |
CAB | NAE | CAI | 120.9° | 120.3° |
NAE | CAB | H2 | 121.1° | 119.9° |
CAC | NAF | CAJ | 122.5° | 120.3° |
NAF | CAC | H3 | 121.1° | 119.7° |
NAE | CAI | CAJ | 122.1° | 119.8° |
NAE | CAI | SAG | 130.7° | 130.5° |
NAF | CAJ | CAI | 118.8° | 118.9° |
NAF | CAJ | CAH | 126.6° | 129.3° |
CAJ | CAI | SAG | 107.2° | 109.7° |
CAI | CAJ | CAH | 114.6° | 111.8° |
CAI | SAG | CAD | 94.7° | 92.2° |
CAJ | CAH | NAA | 124.3° | 122.6° |
CAJ | CAH | CAD | 117.3° | 114.8° |
NAA | CAH | CAD | 118.3° | 122.6° |
CAH | NAA | H4 | 109.5° | 120.1° |
CAH | NAA | H5 | 109.5° | 120.0° |
CAH | CAD | SAG | 106.2° | 111.5° |
CAH | CAD | H1 | 126.9° | 124.2° |
SAG | CAD | H1 | 126.9° | 124.3° |
H4 | NAA | H5 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAB | NAE | H2 | 180.0° | 179.9° |
CAB | CAC | NAF | H3 | 180.0° | 179.9° |
CAC | CAB | NAE | CAI | 0.7° | 0.1° |
CAB | CAC | NAF | CAJ | 1.2° | 0.0° |
NAE | CAB | CAC | NAF | 0.2° | 0.1° |
CAB | NAE | CAI | CAJ | 0.6° | 0.0° |
CAB | NAE | CAI | SAG | 177.3° | 179.7° |
NAE | CAB | CAC | H3 | 179.9° | 180.0° |
CAC | NAF | CAJ | CAI | 1.4° | 0.0° |
CAC | NAF | CAJ | CAH | 177.0° | 180.0° |
NAF | CAC | CAB | H2 | 179.8° | 180.0° |
NAE | CAI | CAJ | NAF | 0.5° | 0.0° |
NAE | CAI | CAJ | SAG | 178.3° | 179.7° |
NAE | CAI | CAJ | CAH | 178.1° | 180.0° |
NAE | CAI | SAG | CAD | 177.3° | 179.7° |
CAI | NAE | CAB | H2 | 179.3° | 180.0° |
NAF | CAJ | CAI | CAH | 178.6° | 180.0° |
NAF | CAJ | CAI | SAG | 178.8° | 179.7° |
NAF | CAJ | CAH | NAA | 6.1° | 0.0° |
NAF | CAJ | CAH | CAD | 177.7° | 179.5° |
CAJ | NAF | CAC | H3 | 178.8° | 180.0° |
CAI | CAJ | CAH | NAA | 175.4° | 180.0° |
CAI | CAJ | CAH | CAD | 0.8° | 0.5° |
CAJ | CAI | SAG | CAD | 0.8° | 0.0° |
SAG | CAI | CAJ | CAH | 0.2° | 0.3° |
CAI | SAG | CAD | CAH | 1.2° | 0.2° |
CAI | SAG | CAD | H1 | 178.8° | 179.9° |
CAJ | CAH | NAA | CAD | 176.2° | 179.5° |
CAJ | CAH | CAD | SAG | 1.4° | 0.5° |
CAJ | CAH | CAD | H1 | 178.7° | 179.7° |
CAJ | CAH | NAA | H4 | 180.0° | 0.0° |
CAJ | CAH | NAA | H5 | 60.0° | 180.0° |
NAA | CAH | CAD | SAG | 175.1° | 180.0° |
NAA | CAH | CAD | H1 | 4.9° | 0.2° |
CAH | NAA | H4 | H5 | 120.0° | 180.0° |
CAH | CAD | SAG | H1 | 180.0° | 179.8° |
CAD | CAH | NAA | H4 | 3.8° | 179.5° |
CAD | CAH | NAA | H5 | 123.8° | 0.5° |
H2 | CAB | CAC | H3 | 0.1° | 0.1° |