W7O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAO | doub | 1.21Å | 1.27Å | |
OAE | CAO | sing | 1.35Å | 1.29Å | |
CAO | CAR | sing | 1.48Å | 1.38Å | |
CAR | CAJ | doub | 1.40Å | 1.43Å | Aromatic |
CAR | CAI | sing | 1.40Å | 1.39Å | Aromatic |
CAJ | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAG | doub | 1.38Å | 1.38Å | Aromatic |
CAQ | CAK | sing | 1.51Å | 1.36Å | |
CAQ | CAH | doub | 1.38Å | 1.43Å | Aromatic |
CAK | CAL | sing | 1.53Å | 1.57Å | |
CAG | CAH | sing | 1.38Å | 1.43Å | Aromatic |
CAL | CAS | sing | 1.51Å | 1.43Å | |
OAD | CAV | doub | 1.22Å | 1.24Å | |
CAS | CAV | sing | 1.47Å | 1.42Å | |
CAS | CAT | doub | 1.36Å | 1.36Å | |
CAV | NAN | sing | 1.35Å | 1.39Å | |
OAB | CAP | doub | 1.21Å | 1.23Å | |
CAP | CAT | sing | 1.48Å | 1.50Å | |
CAP | OAF | sing | 1.35Å | 1.26Å | |
CAT | NAM | sing | 1.38Å | 1.37Å | |
NAN | CAU | sing | 1.34Å | 1.40Å | |
NAM | CAU | sing | 1.34Å | 1.40Å | |
CAU | OAC | doub | 1.22Å | 1.24Å | |
OAE | H1 | sing | 0.97Å | 0.95Å | |
CAJ | H2 | sing | 1.08Å | 1.08Å | |
CAI | H3 | sing | 1.08Å | 1.08Å | |
CAG | H4 | sing | 1.08Å | 1.08Å | |
CAH | H5 | sing | 1.08Å | 1.08Å | |
CAK | H6 | sing | 1.09Å | 1.10Å | |
CAK | H7 | sing | 1.09Å | 1.10Å | |
CAL | H8 | sing | 1.09Å | 1.10Å | |
CAL | H9 | sing | 1.09Å | 1.10Å | |
NAN | H10 | sing | 0.97Å | 1.00Å | |
NAM | H11 | sing | 0.97Å | 1.00Å | |
OAF | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAO | OAE | 121.2° | 120.0° |
OAA | CAO | CAR | 121.1° | 119.9° |
OAE | CAO | CAR | 117.0° | 120.0° |
CAO | OAE | H1 | 109.5° | 117.0° |
CAO | CAR | CAJ | 119.4° | 120.1° |
CAO | CAR | CAI | 117.0° | 120.1° |
CAJ | CAR | CAI | 123.6° | 119.7° |
CAR | CAJ | CAQ | 115.6° | 119.8° |
CAR | CAJ | H2 | 122.2° | 120.1° |
CAR | CAI | CAG | 121.4° | 119.9° |
CAR | CAI | H3 | 119.3° | 120.1° |
CAJ | CAQ | CAK | 118.9° | 119.9° |
CAJ | CAQ | CAH | 120.8° | 120.2° |
CAQ | CAJ | H2 | 122.2° | 120.0° |
CAI | CAG | CAH | 116.3° | 120.1° |
CAG | CAI | H3 | 119.3° | 120.1° |
CAI | CAG | H4 | 121.8° | 120.0° |
CAK | CAQ | CAH | 120.2° | 119.9° |
CAQ | CAK | CAL | 115.6° | 109.4° |
CAQ | CAK | H6 | 107.9° | 109.5° |
CAQ | CAK | H7 | 107.9° | 109.5° |
CAQ | CAH | CAG | 122.2° | 120.3° |
CAQ | CAH | H5 | 118.9° | 119.9° |
CAK | CAL | CAS | 112.4° | 109.4° |
CAL | CAK | H6 | 108.0° | 109.5° |
CAL | CAK | H7 | 107.9° | 109.5° |
CAK | CAL | H8 | 108.7° | 109.5° |
CAK | CAL | H9 | 108.7° | 109.5° |
CAH | CAG | H4 | 121.9° | 119.9° |
CAG | CAH | H5 | 118.9° | 119.9° |
CAL | CAS | CAV | 120.1° | 120.8° |
CAL | CAS | CAT | 119.8° | 120.8° |
CAS | CAL | H8 | 108.7° | 109.4° |
CAS | CAL | H9 | 108.7° | 109.5° |
OAD | CAV | CAS | 121.3° | 120.6° |
OAD | CAV | NAN | 121.0° | 120.6° |
CAV | CAS | CAT | 120.0° | 118.4° |
CAS | CAV | NAN | 117.7° | 118.8° |
CAS | CAT | CAP | 125.9° | 120.3° |
CAS | CAT | NAM | 120.3° | 119.4° |
CAV | NAN | CAU | 123.3° | 120.4° |
CAV | NAN | H10 | 118.4° | 119.8° |
OAB | CAP | CAT | 121.4° | 120.0° |
OAB | CAP | OAF | 126.5° | 120.0° |
CAT | CAP | OAF | 112.1° | 120.0° |
CAP | CAT | NAM | 113.6° | 120.3° |
CAP | OAF | H12 | 109.5° | 117.0° |
CAT | NAM | CAU | 123.3° | 121.1° |
CAT | NAM | H11 | 118.4° | 119.4° |
NAN | CAU | NAM | 115.2° | 121.8° |
NAN | CAU | OAC | 121.7° | 119.1° |
CAU | NAN | H10 | 118.3° | 119.8° |
NAM | CAU | OAC | 123.0° | 119.1° |
CAU | NAM | H11 | 118.3° | 119.4° |
H6 | CAK | H7 | 109.5° | 109.5° |
H8 | CAL | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAO | OAE | CAR | 170.4° | 179.8° |
OAA | CAO | CAR | CAJ | 1.5° | 0.0° |
OAA | CAO | CAR | CAI | 179.2° | 179.7° |
OAA | CAO | OAE | H1 | 0.0° | 0.1° |
OAE | CAO | CAR | CAJ | 171.9° | 179.8° |
OAE | CAO | CAR | CAI | 8.8° | 0.6° |
CAO | CAR | CAJ | CAI | 179.2° | 179.7° |
CAO | CAR | CAJ | CAQ | 178.7° | 179.9° |
CAO | CAR | CAI | CAG | 179.7° | 180.0° |
CAR | CAO | OAE | H1 | 170.4° | 179.7° |
CAO | CAR | CAJ | H2 | 1.3° | 0.0° |
CAO | CAR | CAI | H3 | 0.3° | 0.0° |
CAR | CAJ | CAQ | H2 | 180.0° | 180.0° |
CAJ | CAR | CAI | CAG | 1.0° | 0.3° |
CAR | CAJ | CAQ | CAK | 177.3° | 179.9° |
CAR | CAJ | CAQ | CAH | 2.5° | 0.0° |
CAJ | CAR | CAI | H3 | 179.0° | 179.7° |
CAI | CAR | CAJ | CAQ | 2.0° | 0.2° |
CAR | CAI | CAG | H3 | 180.0° | 180.0° |
CAR | CAI | CAG | CAH | 0.4° | 0.1° |
CAI | CAR | CAJ | H2 | 178.0° | 179.7° |
CAR | CAI | CAG | H4 | 179.5° | 179.9° |
CAJ | CAQ | CAK | CAH | 174.8° | 179.9° |
CAJ | CAQ | CAK | CAL | 82.3° | 90.1° |
CAJ | CAQ | CAH | CAG | 2.2° | 0.3° |
CAJ | CAQ | CAH | H5 | 177.9° | 180.0° |
CAJ | CAQ | CAK | H6 | 156.8° | 150.0° |
CAJ | CAQ | CAK | H7 | 38.6° | 30.0° |
CAI | CAG | CAH | CAQ | 1.0° | 0.2° |
CAI | CAG | CAH | H4 | 180.0° | 179.9° |
CAI | CAG | CAH | H5 | 179.0° | 179.9° |
CAQ | CAK | CAL | H6 | 120.9° | 120.0° |
CAQ | CAK | CAL | H7 | 120.9° | 120.0° |
CAK | CAQ | CAH | CAG | 176.8° | 179.8° |
CAQ | CAK | CAL | CAS | 59.7° | 180.0° |
CAK | CAQ | CAJ | H2 | 2.8° | 0.1° |
CAK | CAQ | CAH | H5 | 3.2° | 0.1° |
CAQ | CAK | H6 | H7 | 117.2° | 120.0° |
CAQ | CAK | CAL | H8 | 179.9° | 60.1° |
CAQ | CAK | CAL | H9 | 60.7° | 60.0° |
CAH | CAQ | CAK | CAL | 92.5° | 90.0° |
CAQ | CAH | CAG | H5 | 180.0° | 179.7° |
CAH | CAQ | CAJ | H2 | 177.5° | 180.0° |
CAQ | CAH | CAG | H4 | 179.0° | 179.7° |
CAH | CAQ | CAK | H6 | 28.5° | 29.9° |
CAH | CAQ | CAK | H7 | 146.7° | 150.0° |
CAK | CAL | CAS | H8 | 120.4° | 120.0° |
CAK | CAL | CAS | H9 | 120.4° | 120.0° |
CAK | CAL | CAS | CAV | 67.1° | 87.8° |
CAK | CAL | CAS | CAT | 109.3° | 92.0° |
CAL | CAK | H6 | H7 | 117.2° | 120.1° |
CAK | CAL | H8 | H9 | 118.7° | 120.1° |
CAH | CAG | CAI | H3 | 179.5° | 179.9° |
CAL | CAS | CAV | OAD | 4.4° | 0.1° |
CAL | CAS | CAV | CAT | 176.4° | 179.8° |
CAL | CAS | CAV | NAN | 178.2° | 180.0° |
CAL | CAS | CAT | CAP | 1.2° | 0.1° |
CAL | CAS | CAT | NAM | 175.4° | 179.7° |
CAS | CAL | CAK | H6 | 61.2° | 60.0° |
CAS | CAL | CAK | H7 | 179.4° | 60.0° |
CAS | CAL | H8 | H9 | 118.7° | 120.0° |
OAD | CAV | CAS | NAN | 177.4° | 180.0° |
OAD | CAV | CAS | CAT | 179.1° | 179.7° |
OAD | CAV | NAN | CAU | 177.0° | 180.0° |
OAD | CAV | NAN | H10 | 3.0° | 0.0° |
CAV | CAS | CAT | CAP | 175.3° | 179.7° |
CAV | CAS | CAT | NAM | 1.0° | 0.5° |
CAS | CAV | NAN | CAU | 5.6° | 0.0° |
CAV | CAS | CAL | H8 | 53.3° | 152.2° |
CAV | CAS | CAL | H9 | 172.4° | 32.2° |
CAS | CAV | NAN | H10 | 174.4° | 180.0° |
CAT | CAS | CAV | NAN | 1.7° | 0.3° |
CAS | CAT | CAP | OAB | 54.4° | 6.4° |
CAS | CAT | CAP | NAM | 174.6° | 179.8° |
CAS | CAT | CAP | OAF | 125.7° | 173.5° |
CAS | CAT | NAM | CAU | 0.2° | 0.5° |
CAT | CAS | CAL | H8 | 130.2° | 28.0° |
CAT | CAS | CAL | H9 | 11.1° | 148.0° |
CAS | CAT | NAM | H11 | 179.8° | 179.7° |
CAV | NAN | CAU | H10 | 180.0° | 180.0° |
CAV | NAN | CAU | NAM | 6.2° | 0.0° |
CAV | NAN | CAU | OAC | 177.2° | 179.9° |
OAB | CAP | CAT | OAF | 180.0° | 179.9° |
OAB | CAP | CAT | NAM | 131.0° | 173.8° |
OAB | CAP | OAF | H12 | 0.0° | 0.0° |
CAP | CAT | NAM | CAU | 175.1° | 179.7° |
CAP | CAT | NAM | H11 | 4.9° | 0.0° |
CAT | CAP | OAF | H12 | 180.0° | 180.0° |
OAF | CAP | CAT | NAM | 48.9° | 6.2° |
CAT | NAM | CAU | NAN | 3.3° | 0.2° |
CAT | NAM | CAU | H11 | 180.0° | 179.7° |
CAT | NAM | CAU | OAC | 179.8° | 179.7° |
NAN | CAU | NAM | OAC | 176.5° | 179.9° |
NAN | CAU | NAM | H11 | 176.7° | 180.0° |
NAM | CAU | NAN | H10 | 173.8° | 180.0° |
OAC | CAU | NAN | H10 | 2.8° | 0.1° |
OAC | CAU | NAM | H11 | 0.2° | 0.1° |
H3 | CAI | CAG | H4 | 0.5° | 0.1° |
H4 | CAG | CAH | H5 | 1.0° | 0.1° |
H6 | CAK | CAL | H8 | 59.3° | 180.0° |
H6 | CAK | CAL | H9 | 178.4° | 60.0° |
H7 | CAK | CAL | H8 | 58.9° | 59.9° |
H7 | CAK | CAL | H9 | 60.2° | 180.0° |