BAQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAD | CAB | sing | 1.55Å | 1.54Å | |
CAD | CAF | sing | 1.51Å | 1.54Å | |
CAB | CAC | sing | 1.54Å | 1.54Å | |
CAC | NAE | sing | 1.47Å | 1.48Å | |
CAF | OAA | doub | 1.21Å | 1.23Å | |
CAF | NAE | sing | 1.35Å | 1.33Å | |
CAD | H1 | sing | 1.09Å | 1.10Å | |
CAD | H2 | sing | 1.09Å | 1.10Å | |
CAB | H3 | sing | 1.09Å | 1.10Å | |
CAB | H4 | sing | 1.09Å | 1.10Å | |
CAC | H5 | sing | 1.09Å | 1.10Å | |
CAC | H6 | sing | 1.09Å | 1.10Å | |
NAE | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | CAD | CAF | 103.3° | 104.2° |
CAD | CAB | CAC | 105.4° | 101.8° |
CAB | CAD | H1 | 111.0° | 110.5° |
CAB | CAD | H2 | 111.0° | 110.5° |
CAD | CAB | H3 | 110.5° | 111.0° |
CAD | CAB | H4 | 110.5° | 111.0° |
CAD | CAF | OAA | 124.6° | 125.0° |
CAD | CAF | NAE | 112.3° | 110.1° |
CAF | CAD | H1 | 111.0° | 110.5° |
CAF | CAD | H2 | 111.0° | 110.5° |
CAB | CAC | NAE | 106.4° | 105.4° |
CAC | CAB | H3 | 110.5° | 111.0° |
CAC | CAB | H4 | 110.5° | 111.0° |
CAB | CAC | H5 | 110.2° | 110.3° |
CAB | CAC | H6 | 110.2° | 110.2° |
CAC | NAE | CAF | 111.1° | 111.3° |
NAE | CAC | H5 | 110.2° | 110.4° |
NAE | CAC | H6 | 110.2° | 110.1° |
CAC | NAE | H7 | 124.4° | 124.4° |
OAA | CAF | NAE | 123.1° | 124.9° |
CAF | NAE | H7 | 124.4° | 124.3° |
H1 | CAD | H2 | 109.5° | 110.6° |
H3 | CAB | H4 | 109.5° | 110.9° |
H5 | CAC | H6 | 109.5° | 110.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAB | CAD | CAF | H1 | 119.0° | 118.6° |
CAB | CAD | CAF | H2 | 119.0° | 118.7° |
CAD | CAB | CAC | H3 | 119.3° | 118.1° |
CAD | CAB | CAC | H4 | 119.4° | 118.1° |
CAD | CAB | CAC | NAE | 11.8° | 25.6° |
CAB | CAD | CAF | OAA | 175.5° | 163.7° |
CAB | CAD | CAF | NAE | 7.6° | 16.0° |
CAB | CAD | H1 | H2 | 122.9° | 122.6° |
CAD | CAB | H3 | H4 | 121.9° | 123.8° |
CAD | CAB | CAC | H5 | 107.8° | 93.6° |
CAD | CAB | CAC | H6 | 131.3° | 144.4° |
CAF | CAD | CAB | CAC | 11.4° | 24.8° |
CAD | CAF | NAE | CAC | 0.2° | 0.8° |
CAD | CAF | OAA | NAE | 176.6° | 179.7° |
CAF | CAD | H1 | H2 | 122.9° | 122.6° |
CAF | CAD | CAB | H3 | 130.7° | 142.9° |
CAF | CAD | CAB | H4 | 107.9° | 93.3° |
CAD | CAF | NAE | H7 | 179.9° | 179.3° |
CAB | CAC | NAE | H5 | 119.5° | 119.1° |
CAB | CAC | NAE | H6 | 119.5° | 118.9° |
CAB | CAC | NAE | CAF | 7.5° | 17.4° |
CAC | CAB | CAD | H1 | 130.4° | 93.9° |
CAC | CAB | CAD | H2 | 107.6° | 143.5° |
CAC | CAB | H3 | H4 | 121.9° | 123.8° |
CAB | CAC | H5 | H6 | 121.4° | 121.9° |
CAB | CAC | NAE | H7 | 172.5° | 162.7° |
CAC | NAE | CAF | OAA | 177.1° | 179.5° |
CAC | NAE | CAF | H7 | 180.0° | 179.9° |
NAE | CAC | CAB | H3 | 131.1° | 143.7° |
NAE | CAC | CAB | H4 | 107.6° | 92.5° |
NAE | CAC | H5 | H6 | 121.4° | 121.9° |
OAA | CAF | CAD | H1 | 56.5° | 77.6° |
OAA | CAF | CAD | H2 | 65.5° | 45.1° |
OAA | CAF | NAE | H7 | 2.9° | 0.5° |
NAE | CAF | CAD | H1 | 126.6° | 102.6° |
NAE | CAF | CAD | H2 | 111.4° | 134.7° |
CAF | NAE | CAC | H5 | 112.1° | 101.7° |
CAF | NAE | CAC | H6 | 127.0° | 136.3° |
H1 | CAD | CAB | H3 | 110.3° | 24.2° |
H1 | CAD | CAB | H4 | 11.1° | 148.0° |
H2 | CAD | CAB | H3 | 11.8° | 98.4° |
H2 | CAD | CAB | H4 | 133.1° | 25.3° |
H3 | CAB | CAC | H5 | 11.6° | 24.5° |
H3 | CAB | CAC | H6 | 109.4° | 97.4° |
H4 | CAB | CAC | H5 | 132.9° | 148.3° |
H4 | CAB | CAC | H6 | 11.9° | 26.3° |
H5 | CAC | NAE | H7 | 68.0° | 78.2° |
H6 | CAC | NAE | H7 | 53.0° | 43.8° |