FEV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAH | CAD | sing | 1.51Å | 1.40Å | |
CAD | NAC | doub | 1.32Å | 1.34Å | Aromatic |
CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
OAG | CAE | sing | 1.36Å | 1.37Å | |
NAC | CAB | sing | 1.32Å | 1.41Å | Aromatic |
CAE | CAF | doub | 1.41Å | 1.41Å | Aromatic |
OAT | CAR | doub | 1.21Å | 1.26Å | |
CAB | CAA | doub | 1.38Å | 1.40Å | Aromatic |
CAR | OAU | sing | 1.35Å | 1.24Å | |
CAR | CAQ | sing | 1.48Å | 1.53Å | |
CAF | CAO | sing | 1.47Å | 1.39Å | |
CAF | CAA | sing | 1.40Å | 1.41Å | Aromatic |
NAP | CAO | doub | 1.30Å | 1.33Å | |
NAP | CAQ | sing | 1.37Å | 1.35Å | |
CAA | CAI | sing | 1.51Å | 1.42Å | |
CAQ | CAS | doub | 1.35Å | 1.55Å | |
CAI | OAJ | sing | 1.43Å | 1.41Å | |
CAS | CAV | sing | 1.51Å | 1.52Å | |
OAM | PAK | doub | 1.48Å | 1.48Å | |
OAJ | PAK | sing | 1.61Å | 1.61Å | |
CAV | CAW | sing | 1.53Å | 1.53Å | |
PAK | OAN | sing | 1.61Å | 1.61Å | |
PAK | OAL | sing | 1.61Å | 1.61Å | |
OAL | H1 | sing | 0.97Å | 0.95Å | |
OAN | H2 | sing | 0.97Å | 0.95Å | |
CAI | H3 | sing | 1.09Å | 1.10Å | |
CAI | H4 | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAH | H8 | sing | 1.09Å | 1.10Å | |
OAG | H9 | sing | 0.97Å | 0.95Å | |
CAO | H10 | sing | 1.08Å | 1.08Å | |
OAU | H11 | sing | 0.97Å | 0.95Å | |
CAS | H12 | sing | 1.08Å | 1.08Å | |
CAV | H13 | sing | 1.09Å | 1.10Å | |
CAV | H14 | sing | 1.09Å | 1.10Å | |
CAW | H15 | sing | 1.09Å | 1.10Å | |
CAW | H16 | sing | 1.09Å | 1.10Å | |
CAW | H17 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAH | CAD | NAC | 118.7° | 119.6° |
CAH | CAD | CAE | 122.9° | 119.6° |
CAD | CAH | H6 | 109.5° | 109.5° |
CAD | CAH | H7 | 109.4° | 109.5° |
CAD | CAH | H8 | 109.5° | 109.5° |
NAC | CAD | CAE | 118.4° | 120.8° |
CAD | NAC | CAB | 121.2° | 122.2° |
CAD | CAE | OAG | 118.1° | 120.6° |
CAD | CAE | CAF | 122.6° | 118.8° |
OAG | CAE | CAF | 119.3° | 120.6° |
CAE | OAG | H9 | 109.5° | 114.1° |
NAC | CAB | CAA | 121.4° | 121.1° |
NAC | CAB | H5 | 119.3° | 119.5° |
CAE | CAF | CAO | 121.4° | 121.0° |
CAE | CAF | CAA | 118.5° | 118.0° |
OAT | CAR | OAU | 119.6° | 120.0° |
OAT | CAR | CAQ | 119.9° | 120.0° |
CAB | CAA | CAF | 117.9° | 119.0° |
CAB | CAA | CAI | 119.3° | 120.5° |
CAA | CAB | H5 | 119.3° | 119.4° |
OAU | CAR | CAQ | 120.5° | 120.0° |
CAR | OAU | H11 | 109.5° | 117.0° |
CAR | CAQ | NAP | 116.3° | 120.0° |
CAR | CAQ | CAS | 120.2° | 120.0° |
CAO | CAF | CAA | 120.1° | 121.0° |
CAF | CAO | NAP | 121.0° | 120.0° |
CAF | CAO | H10 | 119.5° | 120.0° |
CAF | CAA | CAI | 122.8° | 120.5° |
CAO | NAP | CAQ | 121.9° | 120.0° |
NAP | CAO | H10 | 119.5° | 120.0° |
NAP | CAQ | CAS | 123.5° | 120.0° |
CAA | CAI | OAJ | 107.9° | 109.5° |
CAA | CAI | H3 | 109.9° | 109.5° |
CAA | CAI | H4 | 109.9° | 109.6° |
CAQ | CAS | CAV | 120.9° | 120.0° |
CAQ | CAS | H12 | 119.6° | 119.9° |
CAI | OAJ | PAK | 121.4° | 123.0° |
OAJ | CAI | H3 | 109.9° | 109.4° |
OAJ | CAI | H4 | 109.9° | 109.4° |
CAS | CAV | CAW | 105.4° | 109.4° |
CAV | CAS | H12 | 119.6° | 120.1° |
CAS | CAV | H13 | 110.5° | 109.5° |
CAS | CAV | H14 | 110.5° | 109.5° |
OAM | PAK | OAJ | 114.6° | 109.5° |
OAM | PAK | OAN | 109.9° | 109.5° |
OAM | PAK | OAL | 111.3° | 109.4° |
OAJ | PAK | OAN | 106.5° | 109.5° |
OAJ | PAK | OAL | 107.1° | 109.5° |
CAW | CAV | H13 | 110.5° | 109.5° |
CAW | CAV | H14 | 110.5° | 109.5° |
CAV | CAW | H15 | 109.5° | 109.5° |
CAV | CAW | H16 | 109.5° | 109.5° |
CAV | CAW | H17 | 109.5° | 109.5° |
OAN | PAK | OAL | 107.1° | 109.5° |
PAK | OAN | H2 | 109.5° | 114.0° |
PAK | OAL | H1 | 109.5° | 114.0° |
H3 | CAI | H4 | 109.5° | 109.5° |
H6 | CAH | H7 | 109.5° | 109.5° |
H6 | CAH | H8 | 109.5° | 109.5° |
H7 | CAH | H8 | 109.5° | 109.4° |
H13 | CAV | H14 | 109.4° | 109.5° |
H15 | CAW | H16 | 109.5° | 109.4° |
H15 | CAW | H17 | 109.4° | 109.4° |
H16 | CAW | H17 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAH | CAD | NAC | CAE | 180.0° | 179.9° |
CAH | CAD | CAE | OAG | 0.3° | 0.0° |
CAH | CAD | NAC | CAB | 179.8° | 180.0° |
CAH | CAD | CAE | CAF | 179.9° | 179.7° |
CAD | CAH | H6 | H7 | 120.0° | 120.0° |
CAD | CAH | H6 | H8 | 120.0° | 120.0° |
CAD | CAH | H7 | H8 | 120.0° | 120.0° |
NAC | CAD | CAE | OAG | 179.7° | 179.9° |
NAC | CAD | CAE | CAF | 0.0° | 0.3° |
CAD | NAC | CAB | CAA | 0.2° | 0.1° |
CAD | NAC | CAB | H5 | 179.9° | 179.9° |
NAC | CAD | CAH | H6 | 0.0° | 89.9° |
NAC | CAD | CAH | H7 | 120.0° | 150.0° |
NAC | CAD | CAH | H8 | 120.0° | 30.0° |
CAD | CAE | OAG | CAF | 179.6° | 179.7° |
CAE | CAD | NAC | CAB | 0.1° | 0.0° |
CAD | CAE | CAF | CAO | 179.9° | 180.0° |
CAD | CAE | CAF | CAA | 0.3° | 0.5° |
CAE | CAD | CAH | H6 | 180.0° | 90.0° |
CAE | CAD | CAH | H7 | 60.0° | 30.1° |
CAE | CAD | CAH | H8 | 60.0° | 150.0° |
CAD | CAE | OAG | H9 | 180.0° | 90.0° |
OAG | CAE | CAF | CAO | 0.5° | 0.3° |
OAG | CAE | CAF | CAA | 179.3° | 179.8° |
NAC | CAB | CAA | H5 | 180.0° | 179.9° |
NAC | CAB | CAA | CAF | 0.5° | 0.2° |
NAC | CAB | CAA | CAI | 178.9° | 180.0° |
CAE | CAF | CAA | CAB | 0.6° | 0.5° |
CAE | CAF | CAO | CAA | 179.8° | 179.5° |
CAE | CAF | CAO | NAP | 15.6° | 0.1° |
CAE | CAF | CAA | CAI | 178.9° | 179.7° |
CAF | CAE | OAG | H9 | 0.4° | 89.7° |
CAE | CAF | CAO | H10 | 164.4° | 180.0° |
OAT | CAR | OAU | CAQ | 179.3° | 180.0° |
OAT | CAR | CAQ | NAP | 0.9° | 87.1° |
OAT | CAR | CAQ | CAS | 180.0° | 92.9° |
OAT | CAR | OAU | H11 | 0.0° | 0.0° |
CAB | CAA | CAF | CAO | 179.6° | 180.0° |
CAB | CAA | CAF | CAI | 178.3° | 179.8° |
CAB | CAA | CAI | OAJ | 111.2° | 0.0° |
CAB | CAA | CAI | H3 | 8.6° | 120.0° |
CAB | CAA | CAI | H4 | 129.1° | 120.0° |
OAU | CAR | CAQ | NAP | 179.8° | 93.0° |
OAU | CAR | CAQ | CAS | 0.7° | 87.1° |
CAR | CAQ | NAP | CAO | 180.0° | 5.4° |
CAR | CAQ | NAP | CAS | 179.1° | 180.0° |
CAR | CAQ | CAS | CAV | 1.0° | 5.6° |
CAQ | CAR | OAU | H11 | 179.3° | 180.0° |
CAR | CAQ | CAS | H12 | 179.0° | 174.3° |
CAF | CAO | NAP | H10 | 180.0° | 179.9° |
CAF | CAO | NAP | CAQ | 180.0° | 174.8° |
CAO | CAF | CAA | CAI | 1.3° | 0.2° |
CAA | CAF | CAO | NAP | 164.2° | 179.6° |
CAF | CAA | CAI | OAJ | 70.5° | 179.7° |
CAF | CAA | CAI | H3 | 169.7° | 59.8° |
CAF | CAA | CAI | H4 | 49.2° | 60.3° |
CAF | CAA | CAB | H5 | 179.5° | 179.8° |
CAA | CAF | CAO | H10 | 15.8° | 0.5° |
CAO | NAP | CAQ | CAS | 0.8° | 174.6° |
NAP | CAQ | CAS | CAV | 179.9° | 174.4° |
CAQ | NAP | CAO | H10 | 0.0° | 5.1° |
NAP | CAQ | CAS | H12 | 0.1° | 5.7° |
CAA | CAI | OAJ | H3 | 119.8° | 120.0° |
CAA | CAI | OAJ | H4 | 119.8° | 120.1° |
CAA | CAI | OAJ | PAK | 109.6° | 179.9° |
CAA | CAI | H3 | H4 | 120.8° | 120.1° |
CAI | CAA | CAB | H5 | 1.1° | 0.1° |
CAQ | CAS | CAV | H12 | 180.0° | 179.9° |
CAQ | CAS | CAV | CAW | 177.2° | 121.3° |
CAQ | CAS | CAV | H13 | 63.4° | 118.7° |
CAQ | CAS | CAV | H14 | 57.8° | 1.4° |
CAI | OAJ | PAK | OAM | 71.8° | 55.0° |
CAI | OAJ | PAK | OAN | 166.5° | 65.0° |
CAI | OAJ | PAK | OAL | 52.2° | 175.0° |
OAJ | CAI | H3 | H4 | 120.7° | 119.9° |
CAS | CAV | CAW | H13 | 119.4° | 120.0° |
CAS | CAV | CAW | H14 | 119.4° | 119.9° |
CAS | CAV | H13 | H14 | 121.9° | 120.0° |
CAS | CAV | CAW | H15 | 180.0° | 180.0° |
CAS | CAV | CAW | H16 | 60.0° | 60.0° |
CAS | CAV | CAW | H17 | 60.0° | 60.0° |
OAM | PAK | OAJ | OAN | 121.7° | 120.0° |
OAM | PAK | OAJ | OAL | 124.0° | 120.0° |
OAM | PAK | OAN | OAL | 121.0° | 120.0° |
OAM | PAK | OAL | H1 | 0.0° | 60.0° |
OAM | PAK | OAN | H2 | 0.0° | 180.0° |
OAJ | PAK | OAN | OAL | 114.4° | 120.0° |
OAJ | PAK | OAL | H1 | 126.0° | 180.0° |
OAJ | PAK | OAN | H2 | 124.6° | 60.0° |
PAK | OAJ | CAI | H3 | 10.1° | 60.0° |
PAK | OAJ | CAI | H4 | 130.6° | 60.0° |
CAW | CAV | CAS | H12 | 2.8° | 58.7° |
CAW | CAV | H13 | H14 | 121.9° | 120.0° |
CAV | CAW | H15 | H16 | 120.0° | 120.0° |
CAV | CAW | H15 | H17 | 120.0° | 120.0° |
CAV | CAW | H16 | H17 | 120.0° | 120.1° |
OAN | PAK | OAL | H1 | 120.1° | 60.0° |
OAL | PAK | OAN | H2 | 121.0° | 60.1° |
H6 | CAH | H7 | H8 | 120.0° | 120.0° |
H12 | CAS | CAV | H13 | 116.6° | 61.2° |
H12 | CAS | CAV | H14 | 122.2° | 178.7° |
H13 | CAV | CAW | H15 | 60.6° | 60.0° |
H13 | CAV | CAW | H16 | 179.3° | 180.0° |
H13 | CAV | CAW | H17 | 59.4° | 59.9° |
H14 | CAV | CAW | H15 | 60.6° | 60.0° |
H14 | CAV | CAW | H16 | 59.4° | 59.9° |
H14 | CAV | CAW | H17 | 179.4° | 180.0° |
H15 | CAW | H16 | H17 | 120.0° | 119.9° |