24W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAC | CAB | doub | 1.38Å | 1.41Å | Aromatic |
CAC | CAI | sing | 1.39Å | 1.39Å | Aromatic |
CAB | CAD | sing | 1.38Å | 1.40Å | Aromatic |
NAA | CAI | sing | 1.40Å | 1.38Å | |
CAI | CAK | doub | 1.39Å | 1.41Å | Aromatic |
CAD | CAJ | doub | 1.39Å | 1.41Å | Aromatic |
CAK | CAJ | sing | 1.38Å | 1.42Å | Aromatic |
CAK | CAF | sing | 1.51Å | 1.44Å | |
CAJ | CAG | sing | 1.51Å | 1.44Å | |
CAF | CAE | sing | 1.53Å | 1.53Å | |
CAG | NAH | sing | 1.47Å | 1.50Å | |
CAE | NAH | sing | 1.47Å | 1.47Å | |
CAG | H1 | sing | 1.09Å | 1.10Å | |
CAG | H2 | sing | 1.09Å | 1.10Å | |
NAH | H3 | sing | 1.01Å | 1.00Å | |
CAE | H5 | sing | 1.09Å | 1.10Å | |
CAE | H6 | sing | 1.09Å | 1.10Å | |
CAF | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.09Å | 1.10Å | |
CAD | H9 | sing | 1.08Å | 1.08Å | |
CAB | H10 | sing | 1.08Å | 1.08Å | |
CAC | H11 | sing | 1.08Å | 1.08Å | |
NAA | H12 | sing | 0.97Å | 1.00Å | |
NAA | H13 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | CAC | CAI | 117.5° | 119.8° |
CAC | CAB | CAD | 120.4° | 120.0° |
CAC | CAB | H10 | 119.8° | 120.0° |
CAB | CAC | H11 | 121.2° | 120.1° |
CAC | CAI | NAA | 119.4° | 119.9° |
CAC | CAI | CAK | 122.7° | 120.2° |
CAI | CAC | H11 | 121.2° | 120.1° |
CAB | CAD | CAJ | 121.9° | 120.5° |
CAB | CAD | H9 | 119.0° | 119.8° |
CAD | CAB | H10 | 119.8° | 120.0° |
NAA | CAI | CAK | 118.0° | 119.9° |
CAI | NAA | H12 | 109.5° | 120.0° |
CAI | NAA | H13 | 109.5° | 120.0° |
CAI | CAK | CAJ | 119.8° | 119.8° |
CAI | CAK | CAF | 119.4° | 118.5° |
CAD | CAJ | CAK | 117.6° | 119.8° |
CAD | CAJ | CAG | 120.6° | 118.4° |
CAJ | CAD | H9 | 119.0° | 119.7° |
CAJ | CAK | CAF | 120.8° | 121.7° |
CAK | CAJ | CAG | 121.8° | 121.8° |
CAK | CAF | CAE | 112.0° | 109.9° |
CAK | CAF | H7 | 108.8° | 109.3° |
CAK | CAF | H8 | 108.9° | 109.3° |
CAJ | CAG | NAH | 114.9° | 110.5° |
CAJ | CAG | H1 | 108.1° | 109.3° |
CAJ | CAG | H2 | 108.1° | 109.1° |
CAF | CAE | NAH | 110.4° | 108.5° |
CAF | CAE | H5 | 109.2° | 109.7° |
CAF | CAE | H6 | 109.2° | 109.8° |
CAE | CAF | H7 | 108.8° | 109.4° |
CAE | CAF | H8 | 108.8° | 109.4° |
CAG | NAH | CAE | 109.3° | 110.2° |
NAH | CAG | H1 | 108.1° | 109.3° |
NAH | CAG | H2 | 108.1° | 109.3° |
CAG | NAH | H3 | 109.5° | 111.0° |
CAE | NAH | H3 | 109.5° | 111.0° |
NAH | CAE | H5 | 109.2° | 109.6° |
NAH | CAE | H6 | 109.2° | 109.6° |
H1 | CAG | H2 | 109.5° | 109.3° |
H5 | CAE | H6 | 109.5° | 109.6° |
H7 | CAF | H8 | 109.5° | 109.4° |
H12 | NAA | H13 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAB | CAC | CAI | H11 | 180.0° | 180.0° |
CAC | CAB | CAD | H10 | 180.0° | 179.9° |
CAB | CAC | CAI | NAA | 179.4° | 179.9° |
CAB | CAC | CAI | CAK | 0.8° | 0.1° |
CAC | CAB | CAD | CAJ | 1.0° | 0.0° |
CAC | CAB | CAD | H9 | 179.0° | 180.0° |
CAI | CAC | CAB | CAD | 1.7° | 0.0° |
CAC | CAI | NAA | CAK | 179.8° | 180.0° |
CAC | CAI | CAK | CAJ | 0.8° | 0.2° |
CAC | CAI | CAK | CAF | 178.2° | 179.7° |
CAI | CAC | CAB | H10 | 178.3° | 179.9° |
CAC | CAI | NAA | H12 | 180.0° | 0.1° |
CAC | CAI | NAA | H13 | 60.0° | 180.0° |
CAB | CAD | CAJ | H9 | 180.0° | 180.0° |
CAB | CAD | CAJ | CAK | 0.6° | 0.1° |
CAB | CAD | CAJ | CAG | 179.2° | 179.8° |
CAD | CAB | CAC | H11 | 178.3° | 180.0° |
NAA | CAI | CAK | CAJ | 179.0° | 179.8° |
NAA | CAI | CAK | CAF | 1.6° | 0.4° |
NAA | CAI | CAC | H11 | 0.6° | 0.0° |
CAI | NAA | H12 | H13 | 120.0° | 179.9° |
CAI | CAK | CAJ | CAD | 1.5° | 0.2° |
CAI | CAK | CAJ | CAF | 177.3° | 179.8° |
CAI | CAK | CAJ | CAG | 179.9° | 179.8° |
CAI | CAK | CAF | CAE | 161.9° | 163.4° |
CAI | CAK | CAF | H7 | 77.7° | 43.3° |
CAI | CAK | CAF | H8 | 41.5° | 76.5° |
CAK | CAI | CAC | H11 | 179.2° | 180.0° |
CAK | CAI | NAA | H12 | 0.2° | 179.9° |
CAK | CAI | NAA | H13 | 119.8° | 0.0° |
CAD | CAJ | CAK | CAG | 178.6° | 180.0° |
CAD | CAJ | CAK | CAF | 178.8° | 179.6° |
CAD | CAJ | CAG | NAH | 167.1° | 162.4° |
CAD | CAJ | CAG | H1 | 72.1° | 42.1° |
CAD | CAJ | CAG | H2 | 46.4° | 77.4° |
CAJ | CAD | CAB | H10 | 179.0° | 179.9° |
CAJ | CAK | CAF | CAE | 20.8° | 16.8° |
CAK | CAJ | CAG | NAH | 14.3° | 17.6° |
CAK | CAJ | CAG | H1 | 106.5° | 137.9° |
CAK | CAJ | CAG | H2 | 135.1° | 102.6° |
CAJ | CAK | CAF | H7 | 99.6° | 136.9° |
CAJ | CAK | CAF | H8 | 141.2° | 103.3° |
CAK | CAJ | CAD | H9 | 179.3° | 179.9° |
CAF | CAK | CAJ | CAG | 2.6° | 0.4° |
CAK | CAF | CAE | H7 | 120.4° | 120.1° |
CAK | CAF | CAE | H8 | 120.4° | 120.1° |
CAK | CAF | CAE | NAH | 51.5° | 50.3° |
CAK | CAF | CAE | H5 | 171.6° | 69.4° |
CAK | CAF | CAE | H6 | 68.7° | 170.1° |
CAK | CAF | H7 | H8 | 118.9° | 119.7° |
CAJ | CAG | NAH | H1 | 120.8° | 120.3° |
CAJ | CAG | NAH | H2 | 120.8° | 120.1° |
CAJ | CAG | NAH | CAE | 44.3° | 52.6° |
CAJ | CAG | H1 | H2 | 117.5° | 119.4° |
CAJ | CAG | NAH | H3 | 164.3° | 176.0° |
CAG | CAJ | CAD | H9 | 0.7° | 0.1° |
CAF | CAE | NAH | CAG | 63.2° | 71.3° |
CAF | CAE | NAH | H5 | 120.1° | 119.7° |
CAF | CAE | NAH | H6 | 120.2° | 119.9° |
CAF | CAE | NAH | H3 | 176.8° | 165.3° |
CAF | CAE | H5 | H6 | 119.5° | 120.6° |
CAE | CAF | H7 | H8 | 118.8° | 119.8° |
CAG | NAH | CAE | H3 | 120.0° | 123.4° |
NAH | CAG | H1 | H2 | 117.6° | 119.6° |
CAG | NAH | CAE | H5 | 176.7° | 48.5° |
CAG | NAH | CAE | H6 | 56.9° | 168.9° |
CAE | NAH | CAG | H1 | 76.4° | 172.9° |
CAE | NAH | CAG | H2 | 165.1° | 67.5° |
NAH | CAE | H5 | H6 | 119.6° | 120.4° |
NAH | CAE | CAF | H7 | 68.9° | 170.4° |
NAH | CAE | CAF | H8 | 171.9° | 69.7° |
H1 | CAG | NAH | H3 | 43.6° | 63.7° |
H2 | CAG | NAH | H3 | 74.9° | 55.8° |
H3 | NAH | CAE | H5 | 56.7° | 74.9° |
H3 | NAH | CAE | H6 | 63.0° | 45.5° |
H5 | CAE | CAF | H7 | 51.3° | 50.7° |
H5 | CAE | CAF | H8 | 68.0° | 170.6° |
H6 | CAE | CAF | H7 | 171.0° | 69.8° |
H6 | CAE | CAF | H8 | 51.7° | 50.0° |
H9 | CAD | CAB | H10 | 1.0° | 0.1° |
H10 | CAB | CAC | H11 | 1.7° | 0.1° |