XU7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAL | BAI | sing | 1.42Å | 1.46Å | |
BAI | OAK | sing | 1.42Å | 1.47Å | |
BAI | CAH | sing | 1.57Å | 1.63Å | |
CAH | CAG | sing | 1.53Å | 1.55Å | |
CAG | CAD | sing | 1.53Å | 1.57Å | |
NAE | CAD | sing | 1.47Å | 1.46Å | |
OAC | CAB | doub | 1.21Å | 1.25Å | |
CAD | CAB | sing | 1.51Å | 1.52Å | |
CAB | OAA | sing | 1.34Å | 1.25Å | |
OAK | H1 | sing | 0.97Å | 0.95Å | |
OAL | H2 | sing | 0.97Å | 0.95Å | |
CAH | H3 | sing | 1.09Å | 1.10Å | |
CAH | H4 | sing | 1.09Å | 1.10Å | |
CAG | H5 | sing | 1.09Å | 1.10Å | |
CAG | H6 | sing | 1.09Å | 1.10Å | |
OAA | H10 | sing | 0.97Å | 0.95Å | |
NAE | H11 | sing | 1.01Å | 1.00Å | |
NAE | H12 | sing | 1.01Å | 1.00Å | |
CAD | H7 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAL | BAI | OAK | 105.6° | 120.0° |
OAL | BAI | CAH | 108.1° | 120.0° |
BAI | OAL | H2 | 109.5° | 114.0° |
OAK | BAI | CAH | 112.6° | 120.0° |
BAI | OAK | H1 | 109.5° | 114.0° |
BAI | CAH | CAG | 114.3° | 109.5° |
BAI | CAH | H3 | 108.3° | 109.5° |
BAI | CAH | H4 | 108.2° | 109.5° |
CAH | CAG | CAD | 113.8° | 109.5° |
CAG | CAH | H3 | 108.3° | 109.5° |
CAG | CAH | H4 | 108.3° | 109.5° |
CAH | CAG | H5 | 108.4° | 109.5° |
CAH | CAG | H6 | 108.4° | 109.4° |
CAG | CAD | NAE | 110.9° | 109.5° |
CAG | CAD | CAB | 110.4° | 109.5° |
CAD | CAG | H5 | 108.4° | 109.5° |
CAD | CAG | H6 | 108.4° | 109.5° |
CAG | CAD | H7 | 108.5° | 109.5° |
NAE | CAD | CAB | 108.1° | 109.4° |
CAD | NAE | H11 | 109.5° | 111.0° |
CAD | NAE | H12 | 109.5° | 111.0° |
NAE | CAD | H7 | 109.9° | 109.5° |
OAC | CAB | CAD | 120.2° | 120.0° |
OAC | CAB | OAA | 124.6° | 120.0° |
CAD | CAB | OAA | 115.0° | 120.0° |
CAB | CAD | H7 | 109.1° | 109.5° |
CAB | OAA | H10 | 109.5° | 117.0° |
H3 | CAH | H4 | 109.5° | 109.4° |
H5 | CAG | H6 | 109.4° | 109.5° |
H11 | NAE | H12 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAL | BAI | OAK | CAH | 117.8° | 179.7° |
OAL | BAI | CAH | CAG | 165.4° | 179.7° |
OAL | BAI | OAK | H1 | 180.0° | 0.3° |
OAL | BAI | CAH | H3 | 44.7° | 60.3° |
OAL | BAI | CAH | H4 | 73.9° | 59.7° |
OAK | BAI | CAH | CAG | 78.4° | 0.0° |
OAK | BAI | OAL | H2 | 180.0° | 0.1° |
OAK | BAI | CAH | H3 | 160.9° | 120.0° |
OAK | BAI | CAH | H4 | 42.4° | 120.0° |
BAI | CAH | CAG | H3 | 120.7° | 120.0° |
BAI | CAH | CAG | H4 | 120.7° | 120.0° |
BAI | CAH | CAG | CAD | 174.1° | 180.0° |
CAH | BAI | OAK | H1 | 62.2° | 180.0° |
CAH | BAI | OAL | H2 | 59.3° | 179.8° |
BAI | CAH | H3 | H4 | 117.8° | 120.0° |
BAI | CAH | CAG | H5 | 65.3° | 60.0° |
BAI | CAH | CAG | H6 | 53.4° | 60.0° |
CAH | CAG | CAD | H5 | 120.7° | 120.0° |
CAH | CAG | CAD | H6 | 120.7° | 120.0° |
CAH | CAG | CAD | NAE | 55.9° | 65.0° |
CAH | CAG | CAD | CAB | 175.8° | 175.0° |
CAG | CAH | H3 | H4 | 117.8° | 120.0° |
CAH | CAG | H5 | H6 | 118.0° | 119.9° |
CAH | CAG | CAD | H7 | 64.8° | 55.0° |
CAG | CAD | NAE | CAB | 121.1° | 120.0° |
CAG | CAD | NAE | H7 | 119.9° | 120.1° |
CAG | CAD | CAB | OAC | 87.7° | 100.0° |
CAG | CAD | CAB | H7 | 119.1° | 120.0° |
CAG | CAD | CAB | OAA | 86.6° | 80.0° |
CAD | CAG | CAH | H3 | 53.4° | 60.0° |
CAD | CAG | CAH | H4 | 65.2° | 60.0° |
CAD | CAG | H5 | H6 | 118.0° | 120.1° |
CAG | CAD | NAE | H11 | 180.0° | 176.1° |
CAG | CAD | NAE | H12 | 60.0° | 60.0° |
NAE | CAD | CAB | OAC | 33.8° | 20.0° |
NAE | CAD | CAB | H7 | 119.4° | 120.0° |
NAE | CAD | CAB | OAA | 151.9° | 160.0° |
NAE | CAD | CAG | H5 | 176.6° | 175.0° |
NAE | CAD | CAG | H6 | 64.7° | 54.9° |
CAD | NAE | H11 | H12 | 120.0° | 124.0° |
OAC | CAB | CAD | OAA | 174.3° | 180.0° |
OAC | CAB | OAA | H10 | 0.0° | 0.0° |
OAC | CAB | CAD | H7 | 153.3° | 140.0° |
CAB | CAD | CAG | H5 | 63.6° | 55.0° |
CAB | CAD | CAG | H6 | 55.1° | 65.0° |
CAD | CAB | OAA | H10 | 174.0° | 180.0° |
CAB | CAD | NAE | H11 | 58.9° | 63.9° |
CAB | CAD | NAE | H12 | 61.1° | 60.0° |
OAA | CAB | CAD | H7 | 32.5° | 40.0° |
H3 | CAH | CAG | H5 | 174.0° | 180.0° |
H3 | CAH | CAG | H6 | 67.3° | 60.1° |
H4 | CAH | CAG | H5 | 55.4° | 60.1° |
H4 | CAH | CAG | H6 | 174.1° | 180.0° |
H5 | CAG | CAD | H7 | 55.9° | 65.0° |
H6 | CAG | CAD | H7 | 174.6° | 175.0° |
H11 | NAE | CAD | H7 | 60.1° | 56.0° |
H12 | NAE | CAD | H7 | 179.9° | 180.0° |