E8Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAF | CAE | doub | 1.39Å | 1.38Å | Aromatic |
CAF | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
CAE | CAI | sing | 1.38Å | 1.38Å | Aromatic |
CAJ | CAV | doub | 1.39Å | 1.39Å | Aromatic |
CAI | CAU | doub | 1.39Å | 1.40Å | Aromatic |
CAV | CAU | sing | 1.41Å | 1.39Å | Aromatic |
CAV | CAT | sing | 1.48Å | 1.46Å | |
CAU | OAN | sing | 1.35Å | 1.38Å | |
OAD | CAT | doub | 1.22Å | 1.25Å | |
CAT | CAS | sing | 1.48Å | 1.45Å | |
OAN | CAK | sing | 1.33Å | 1.39Å | |
CAS | CAK | doub | 1.36Å | 1.39Å | |
CAS | CAO | sing | 1.47Å | 1.50Å | |
CAO | NAM | sing | 1.35Å | 1.35Å | |
CAO | OAC | doub | 1.22Å | 1.23Å | |
NAM | CAR | sing | 1.40Å | 1.43Å | |
CAR | CAH | doub | 1.39Å | 1.40Å | Aromatic |
CAR | CAL | sing | 1.39Å | 1.40Å | Aromatic |
CAH | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAL | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
CAG | CAP | doub | 1.38Å | 1.40Å | Aromatic |
CAQ | CAP | sing | 1.38Å | 1.40Å | Aromatic |
CAQ | CAB | sing | 1.51Å | 1.50Å | |
CAP | CAA | sing | 1.51Å | 1.50Å | |
CAJ | H1 | sing | 1.08Å | 1.08Å | |
CAF | H2 | sing | 1.08Å | 1.08Å | |
CAE | H3 | sing | 1.08Å | 1.08Å | |
CAI | H4 | sing | 1.08Å | 1.08Å | |
CAK | H5 | sing | 1.08Å | 1.08Å | |
NAM | H8 | sing | 0.97Å | 1.00Å | |
CAL | H9 | sing | 1.08Å | 1.08Å | |
CAB | H10 | sing | 1.09Å | 1.10Å | |
CAB | H11 | sing | 1.09Å | 1.10Å | |
CAB | H12 | sing | 1.09Å | 1.10Å | |
CAA | H13 | sing | 1.09Å | 1.10Å | |
CAA | H14 | sing | 1.09Å | 1.10Å | |
CAA | H15 | sing | 1.09Å | 1.10Å | |
CAG | H16 | sing | 1.08Å | 1.08Å | |
CAH | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAE | CAF | CAJ | 121.8° | 120.1° |
CAF | CAE | CAI | 118.2° | 120.8° |
CAE | CAF | H2 | 119.1° | 119.9° |
CAF | CAE | H3 | 120.9° | 119.6° |
CAF | CAJ | CAV | 120.2° | 119.6° |
CAF | CAJ | H1 | 119.9° | 120.2° |
CAJ | CAF | H2 | 119.1° | 119.9° |
CAE | CAI | CAU | 120.5° | 120.1° |
CAI | CAE | H3 | 120.9° | 119.6° |
CAE | CAI | H4 | 119.8° | 120.0° |
CAJ | CAV | CAU | 117.8° | 120.5° |
CAJ | CAV | CAT | 122.4° | 121.5° |
CAV | CAJ | H1 | 119.9° | 120.2° |
CAI | CAU | CAV | 121.6° | 118.9° |
CAI | CAU | OAN | 117.5° | 120.5° |
CAU | CAI | H4 | 119.7° | 119.9° |
CAU | CAV | CAT | 119.8° | 118.0° |
CAV | CAU | OAN | 121.0° | 120.6° |
CAV | CAT | OAD | 122.3° | 122.1° |
CAV | CAT | CAS | 117.6° | 115.8° |
CAU | OAN | CAK | 120.1° | 121.6° |
OAD | CAT | CAS | 120.0° | 122.1° |
CAT | CAS | CAK | 117.9° | 118.0° |
CAT | CAS | CAO | 123.9° | 121.0° |
OAN | CAK | CAS | 122.0° | 123.0° |
OAN | CAK | H5 | 119.0° | 118.4° |
CAK | CAS | CAO | 118.0° | 121.0° |
CAS | CAK | H5 | 119.0° | 118.5° |
CAS | CAO | NAM | 121.7° | 120.0° |
CAS | CAO | OAC | 118.3° | 120.0° |
NAM | CAO | OAC | 120.1° | 120.1° |
CAO | NAM | CAR | 131.4° | 120.0° |
CAO | NAM | H8 | 114.3° | 120.1° |
NAM | CAR | CAH | 117.1° | 120.0° |
NAM | CAR | CAL | 124.9° | 120.1° |
CAR | NAM | H8 | 114.3° | 120.0° |
CAH | CAR | CAL | 118.0° | 119.9° |
CAR | CAH | CAG | 121.5° | 119.9° |
CAR | CAH | H17 | 119.2° | 120.0° |
CAR | CAL | CAQ | 120.9° | 119.9° |
CAR | CAL | H9 | 119.5° | 120.1° |
CAH | CAG | CAP | 120.1° | 120.1° |
CAH | CAG | H16 | 119.9° | 120.0° |
CAG | CAH | H17 | 119.2° | 120.0° |
CAL | CAQ | CAP | 120.7° | 120.1° |
CAL | CAQ | CAB | 117.1° | 119.9° |
CAQ | CAL | H9 | 119.5° | 120.0° |
CAG | CAP | CAQ | 118.7° | 120.1° |
CAG | CAP | CAA | 118.9° | 119.9° |
CAP | CAG | H16 | 120.0° | 119.9° |
CAP | CAQ | CAB | 122.2° | 120.0° |
CAQ | CAP | CAA | 122.4° | 119.9° |
CAQ | CAB | H10 | 109.5° | 109.5° |
CAQ | CAB | H11 | 109.5° | 109.5° |
CAQ | CAB | H12 | 109.5° | 109.5° |
CAP | CAA | H13 | 109.5° | 109.5° |
CAP | CAA | H14 | 109.5° | 109.5° |
CAP | CAA | H15 | 109.5° | 109.4° |
H10 | CAB | H11 | 109.5° | 109.4° |
H10 | CAB | H12 | 109.4° | 109.4° |
H11 | CAB | H12 | 109.4° | 109.5° |
H13 | CAA | H14 | 109.4° | 109.5° |
H13 | CAA | H15 | 109.4° | 109.5° |
H14 | CAA | H15 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAE | CAF | CAJ | H2 | 180.0° | 179.9° |
CAF | CAE | CAI | H3 | 180.0° | 180.0° |
CAE | CAF | CAJ | CAV | 0.3° | 0.0° |
CAF | CAE | CAI | CAU | 0.4° | 0.1° |
CAE | CAF | CAJ | H1 | 179.7° | 180.0° |
CAF | CAE | CAI | H4 | 179.6° | 180.0° |
CAJ | CAF | CAE | CAI | 0.6° | 0.1° |
CAF | CAJ | CAV | H1 | 180.0° | 180.0° |
CAF | CAJ | CAV | CAU | 0.1° | 0.2° |
CAF | CAJ | CAV | CAT | 179.5° | 179.7° |
CAJ | CAF | CAE | H3 | 179.4° | 179.9° |
CAE | CAI | CAU | H4 | 180.0° | 179.9° |
CAE | CAI | CAU | CAV | 0.0° | 0.3° |
CAE | CAI | CAU | OAN | 179.7° | 179.4° |
CAI | CAE | CAF | H2 | 179.4° | 180.0° |
CAJ | CAV | CAU | CAI | 0.3° | 0.4° |
CAJ | CAV | CAU | CAT | 179.4° | 179.9° |
CAJ | CAV | CAU | OAN | 180.0° | 179.3° |
CAJ | CAV | CAT | OAD | 5.0° | 12.8° |
CAJ | CAV | CAT | CAS | 173.9° | 167.5° |
CAV | CAJ | CAF | H2 | 179.7° | 180.0° |
CAI | CAU | CAV | OAN | 179.6° | 179.7° |
CAI | CAU | CAV | CAT | 179.7° | 179.5° |
CAI | CAU | OAN | CAK | 178.5° | 164.8° |
CAU | CAI | CAE | H3 | 179.6° | 180.0° |
CAU | CAV | CAT | OAD | 175.6° | 167.3° |
CAU | CAV | CAT | CAS | 5.4° | 12.4° |
CAV | CAU | OAN | CAK | 1.2° | 15.5° |
CAU | CAV | CAJ | H1 | 179.9° | 179.8° |
CAV | CAU | CAI | H4 | 180.0° | 179.8° |
CAT | CAV | CAU | OAN | 0.7° | 0.8° |
CAV | CAT | OAD | CAS | 178.9° | 179.7° |
CAV | CAT | CAS | CAK | 13.3° | 12.2° |
CAV | CAT | CAS | CAO | 172.5° | 167.5° |
CAT | CAV | CAJ | H1 | 0.5° | 0.3° |
CAU | OAN | CAK | CAS | 9.8° | 16.1° |
OAN | CAU | CAI | H4 | 0.3° | 0.5° |
CAU | OAN | CAK | H5 | 170.2° | 164.2° |
OAD | CAT | CAS | CAK | 167.7° | 167.5° |
OAD | CAT | CAS | CAO | 6.5° | 12.8° |
CAT | CAS | CAK | OAN | 15.9° | 1.5° |
CAT | CAS | CAK | CAO | 174.5° | 179.7° |
CAT | CAS | CAO | NAM | 5.8° | 0.1° |
CAT | CAS | CAO | OAC | 173.8° | 180.0° |
CAT | CAS | CAK | H5 | 164.1° | 178.8° |
OAN | CAK | CAS | H5 | 180.0° | 179.8° |
OAN | CAK | CAS | CAO | 169.7° | 178.8° |
CAK | CAS | CAO | NAM | 168.3° | 179.8° |
CAK | CAS | CAO | OAC | 12.1° | 0.3° |
CAS | CAO | NAM | OAC | 179.6° | 179.9° |
CAS | CAO | NAM | CAR | 177.9° | 175.4° |
CAO | CAS | CAK | H5 | 10.4° | 1.0° |
CAS | CAO | NAM | H8 | 2.1° | 4.5° |
CAO | NAM | CAR | H8 | 180.0° | 179.9° |
CAO | NAM | CAR | CAH | 159.4° | 35.2° |
CAO | NAM | CAR | CAL | 22.6° | 144.6° |
OAC | CAO | NAM | CAR | 1.7° | 4.7° |
OAC | CAO | NAM | H8 | 178.3° | 175.4° |
NAM | CAR | CAH | CAL | 178.2° | 179.8° |
NAM | CAR | CAH | CAG | 180.0° | 179.7° |
NAM | CAR | CAL | CAQ | 179.2° | 180.0° |
NAM | CAR | CAL | H9 | 0.7° | 0.1° |
NAM | CAR | CAH | H17 | 0.1° | 0.1° |
CAR | CAH | CAG | H17 | 180.0° | 179.9° |
CAH | CAR | CAL | CAQ | 1.2° | 0.2° |
CAR | CAH | CAG | CAP | 1.8° | 0.5° |
CAH | CAR | NAM | H8 | 20.6° | 144.9° |
CAH | CAR | CAL | H9 | 178.8° | 179.7° |
CAR | CAH | CAG | H16 | 178.3° | 179.8° |
CAL | CAR | CAH | CAG | 1.8° | 0.4° |
CAR | CAL | CAQ | H9 | 180.0° | 179.9° |
CAR | CAL | CAQ | CAP | 0.7° | 0.0° |
CAR | CAL | CAQ | CAB | 178.9° | 180.0° |
CAL | CAR | NAM | H8 | 157.4° | 35.3° |
CAL | CAR | CAH | H17 | 178.3° | 179.7° |
CAH | CAG | CAP | H16 | 180.0° | 179.7° |
CAH | CAG | CAP | CAQ | 1.1° | 0.2° |
CAH | CAG | CAP | CAA | 179.5° | 179.7° |
CAL | CAQ | CAP | CAG | 0.6° | 0.0° |
CAL | CAQ | CAP | CAB | 179.5° | 180.0° |
CAL | CAQ | CAP | CAA | 178.9° | 180.0° |
CAL | CAQ | CAB | H10 | 89.8° | 90.0° |
CAL | CAQ | CAB | H11 | 150.2° | 150.0° |
CAL | CAQ | CAB | H12 | 30.2° | 30.0° |
CAG | CAP | CAQ | CAA | 178.3° | 180.0° |
CAG | CAP | CAQ | CAB | 178.9° | 180.0° |
CAG | CAP | CAA | H13 | 90.8° | 90.0° |
CAG | CAP | CAA | H14 | 149.2° | 30.0° |
CAG | CAP | CAA | H15 | 29.2° | 150.0° |
CAP | CAG | CAH | H17 | 178.3° | 179.7° |
CAP | CAQ | CAL | H9 | 179.3° | 180.0° |
CAP | CAQ | CAB | H10 | 89.7° | 90.0° |
CAP | CAQ | CAB | H11 | 30.3° | 30.0° |
CAP | CAQ | CAB | H12 | 150.3° | 150.0° |
CAQ | CAP | CAA | H13 | 90.9° | 90.0° |
CAQ | CAP | CAA | H14 | 29.1° | 150.0° |
CAQ | CAP | CAA | H15 | 149.1° | 30.0° |
CAQ | CAP | CAG | H16 | 178.9° | 180.0° |
CAB | CAQ | CAP | CAA | 0.6° | 0.0° |
CAB | CAQ | CAL | H9 | 1.2° | 0.0° |
CAQ | CAB | H10 | H11 | 120.0° | 120.0° |
CAQ | CAB | H10 | H12 | 120.0° | 120.0° |
CAQ | CAB | H11 | H12 | 120.0° | 120.0° |
CAP | CAA | H13 | H14 | 120.0° | 120.0° |
CAP | CAA | H13 | H15 | 120.0° | 120.0° |
CAP | CAA | H14 | H15 | 120.0° | 120.0° |
CAA | CAP | CAG | H16 | 0.5° | 0.0° |
H1 | CAJ | CAF | H2 | 0.3° | 0.0° |
H2 | CAF | CAE | H3 | 0.6° | 0.1° |
H3 | CAE | CAI | H4 | 0.4° | 0.0° |
H10 | CAB | H11 | H12 | 119.9° | 120.0° |
H13 | CAA | H14 | H15 | 119.9° | 120.0° |
H16 | CAG | CAH | H17 | 1.7° | 0.1° |