F4W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAH | CAQ | doub | 1.21Å | 1.29Å | |
CAQ | OAR | sing | 1.34Å | 1.28Å | |
CAQ | CAP | sing | 1.51Å | 1.56Å | |
CAP | CAO | sing | 1.53Å | 1.55Å | |
CAO | CAN | sing | 1.51Å | 1.40Å | |
CAN | NAM | doub | 1.30Å | 1.38Å | |
CAN | NAG | sing | 1.36Å | 1.42Å | |
NAM | CAL | sing | 1.35Å | 1.36Å | |
CAL | SAK | sing | 1.76Å | 1.49Å | Aromatic |
CAL | CAE | doub | 1.39Å | 1.39Å | Aromatic |
SAK | CAJ | sing | 1.76Å | 1.49Å | Aromatic |
CAJ | CAI | sing | 1.53Å | 1.40Å | |
CAJ | CAD | doub | 1.33Å | 1.36Å | Aromatic |
CAI | CAB | sing | 1.54Å | 1.48Å | |
CAB | CAC | sing | 1.54Å | 1.48Å | |
CAC | CAD | sing | 1.53Å | 1.41Å | |
CAD | CAE | sing | 1.46Å | 1.38Å | Aromatic |
CAE | CAF | sing | 1.43Å | 1.40Å | |
CAF | OAA | doub | 1.22Å | 1.24Å | |
CAF | NAG | sing | 1.35Å | 1.42Å | |
OAR | H1 | sing | 0.97Å | 0.95Å | |
CAP | H2 | sing | 1.09Å | 1.10Å | |
CAP | H3 | sing | 1.09Å | 1.10Å | |
CAO | H4 | sing | 1.09Å | 1.10Å | |
CAO | H5 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.09Å | 1.10Å | |
CAB | H9 | sing | 1.09Å | 1.10Å | |
CAB | H10 | sing | 1.09Å | 1.10Å | |
CAC | H11 | sing | 1.09Å | 1.10Å | |
CAC | H12 | sing | 1.09Å | 1.10Å | |
NAG | H6 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAH | CAQ | OAR | 125.2° | 120.0° |
OAH | CAQ | CAP | 117.6° | 120.0° |
OAR | CAQ | CAP | 117.1° | 120.0° |
CAQ | OAR | H1 | 109.5° | 117.1° |
CAQ | CAP | CAO | 120.4° | 109.5° |
CAQ | CAP | H2 | 106.7° | 109.5° |
CAQ | CAP | H3 | 106.7° | 109.5° |
CAP | CAO | CAN | 110.9° | 109.5° |
CAO | CAP | H2 | 106.7° | 109.4° |
CAO | CAP | H3 | 106.7° | 109.5° |
CAP | CAO | H4 | 109.1° | 109.5° |
CAP | CAO | H5 | 109.1° | 109.5° |
CAO | CAN | NAM | 120.4° | 119.0° |
CAO | CAN | NAG | 120.6° | 119.0° |
CAN | CAO | H4 | 109.1° | 109.4° |
CAN | CAO | H5 | 109.1° | 109.5° |
NAM | CAN | NAG | 118.9° | 122.0° |
CAN | NAM | CAL | 121.4° | 121.5° |
CAN | NAG | CAF | 119.1° | 120.3° |
CAN | NAG | H6 | 120.5° | 119.9° |
NAM | CAL | SAK | 128.8° | 130.8° |
NAM | CAL | CAE | 121.9° | 119.6° |
SAK | CAL | CAE | 109.3° | 109.6° |
CAL | SAK | CAJ | 102.0° | 92.4° |
CAL | CAE | CAD | 108.6° | 112.9° |
CAL | CAE | CAF | 118.6° | 118.1° |
SAK | CAJ | CAI | 142.1° | 138.3° |
SAK | CAJ | CAD | 108.9° | 111.2° |
CAI | CAJ | CAD | 108.9° | 110.5° |
CAJ | CAI | CAB | 105.7° | 104.9° |
CAJ | CAI | H7 | 110.4° | 110.3° |
CAJ | CAI | H8 | 110.4° | 110.4° |
CAJ | CAD | CAC | 106.7° | 110.2° |
CAJ | CAD | CAE | 111.2° | 113.9° |
CAI | CAB | CAC | 97.2° | 101.6° |
CAB | CAI | H7 | 110.4° | 110.4° |
CAB | CAI | H8 | 110.4° | 110.4° |
CAI | CAB | H9 | 112.5° | 111.0° |
CAI | CAB | H10 | 112.5° | 111.0° |
CAB | CAC | CAD | 106.2° | 104.9° |
CAC | CAB | H9 | 112.4° | 111.0° |
CAC | CAB | H10 | 112.5° | 111.0° |
CAB | CAC | H11 | 110.3° | 110.3° |
CAB | CAC | H12 | 110.3° | 110.4° |
CAC | CAD | CAE | 142.1° | 136.0° |
CAD | CAC | H11 | 110.3° | 110.3° |
CAD | CAC | H12 | 110.3° | 110.4° |
CAD | CAE | CAF | 132.8° | 129.0° |
CAE | CAF | OAA | 124.2° | 120.8° |
CAE | CAF | NAG | 120.1° | 118.5° |
OAA | CAF | NAG | 115.7° | 120.8° |
CAF | NAG | H6 | 120.5° | 119.8° |
H2 | CAP | H3 | 109.5° | 109.4° |
H4 | CAO | H5 | 109.5° | 109.5° |
H7 | CAI | H8 | 109.5° | 110.4° |
H9 | CAB | H10 | 109.4° | 110.9° |
H11 | CAC | H12 | 109.5° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAH | CAQ | OAR | CAP | 176.7° | 179.7° |
OAH | CAQ | CAP | CAO | 97.1° | 0.1° |
OAH | CAQ | OAR | H1 | 0.0° | 0.0° |
OAH | CAQ | CAP | H2 | 141.3° | 120.0° |
OAH | CAQ | CAP | H3 | 24.4° | 120.0° |
OAR | CAQ | CAP | CAO | 85.9° | 179.7° |
OAR | CAQ | CAP | H2 | 35.7° | 60.3° |
OAR | CAQ | CAP | H3 | 152.6° | 59.7° |
CAQ | CAP | CAO | H2 | 121.5° | 120.0° |
CAQ | CAP | CAO | H3 | 121.5° | 120.1° |
CAQ | CAP | CAO | CAN | 77.0° | 180.0° |
CAP | CAQ | OAR | H1 | 176.7° | 179.7° |
CAQ | CAP | H2 | H3 | 115.1° | 120.1° |
CAQ | CAP | CAO | H4 | 43.2° | 60.1° |
CAQ | CAP | CAO | H5 | 162.8° | 60.0° |
CAP | CAO | CAN | H4 | 120.2° | 120.0° |
CAP | CAO | CAN | H5 | 120.2° | 120.0° |
CAP | CAO | CAN | NAM | 68.5° | 0.1° |
CAP | CAO | CAN | NAG | 112.3° | 179.7° |
CAO | CAP | H2 | H3 | 115.1° | 120.0° |
CAP | CAO | H4 | H5 | 119.4° | 120.1° |
CAO | CAN | NAM | NAG | 179.2° | 179.8° |
CAO | CAN | NAM | CAL | 179.8° | 180.0° |
CAO | CAN | NAG | CAF | 179.7° | 179.7° |
CAN | CAO | CAP | H2 | 161.5° | 60.0° |
CAN | CAO | CAP | H3 | 44.5° | 59.9° |
CAN | CAO | H4 | H5 | 119.4° | 120.0° |
CAO | CAN | NAG | H6 | 0.2° | 0.0° |
CAN | NAM | CAL | SAK | 179.5° | 180.0° |
CAN | NAM | CAL | CAE | 0.6° | 0.0° |
NAM | CAN | NAG | CAF | 0.5° | 0.5° |
NAM | CAN | CAO | H4 | 51.7° | 120.0° |
NAM | CAN | CAO | H5 | 171.3° | 120.0° |
NAM | CAN | NAG | H6 | 179.5° | 179.7° |
NAG | CAN | NAM | CAL | 0.5° | 0.2° |
CAN | NAG | CAF | CAE | 0.6° | 0.5° |
CAN | NAG | CAF | OAA | 179.9° | 179.8° |
CAN | NAG | CAF | H6 | 180.0° | 179.8° |
NAG | CAN | CAO | H4 | 127.5° | 59.8° |
NAG | CAN | CAO | H5 | 7.9° | 60.2° |
NAM | CAL | SAK | CAE | 179.9° | 180.0° |
NAM | CAL | SAK | CAJ | 179.5° | 179.9° |
NAM | CAL | CAE | CAD | 179.4° | 180.0° |
NAM | CAL | CAE | CAF | 0.7° | 0.0° |
CAL | SAK | CAJ | CAI | 178.9° | 179.9° |
CAL | SAK | CAJ | CAD | 0.2° | 0.1° |
SAK | CAL | CAE | CAD | 0.5° | 0.0° |
SAK | CAL | CAE | CAF | 179.4° | 180.0° |
CAE | CAL | SAK | CAJ | 0.4° | 0.0° |
CAL | CAE | CAD | CAJ | 0.4° | 0.1° |
CAL | CAE | CAD | CAC | 179.7° | 179.9° |
CAL | CAE | CAD | CAF | 179.9° | 180.0° |
CAL | CAE | CAF | OAA | 179.9° | 180.0° |
CAL | CAE | CAF | NAG | 0.7° | 0.2° |
SAK | CAJ | CAI | CAD | 178.8° | 180.0° |
SAK | CAJ | CAI | CAB | 155.1° | 162.5° |
SAK | CAJ | CAD | CAC | 179.9° | 180.0° |
SAK | CAJ | CAD | CAE | 0.1° | 0.1° |
SAK | CAJ | CAI | H7 | 35.7° | 43.6° |
SAK | CAJ | CAI | H8 | 85.5° | 78.7° |
CAJ | CAI | CAB | H7 | 119.4° | 118.8° |
CAJ | CAI | CAB | H8 | 119.4° | 118.9° |
CAJ | CAI | CAB | CAC | 36.1° | 26.6° |
CAI | CAJ | CAD | CAC | 0.9° | 0.0° |
CAI | CAJ | CAD | CAE | 179.1° | 179.9° |
CAJ | CAI | H7 | H8 | 121.8° | 122.2° |
CAJ | CAI | CAB | H9 | 81.9° | 91.5° |
CAJ | CAI | CAB | H10 | 154.0° | 144.6° |
CAD | CAJ | CAI | CAB | 23.7° | 17.6° |
CAJ | CAD | CAC | CAB | 25.1° | 17.5° |
CAJ | CAD | CAC | CAE | 179.9° | 179.9° |
CAJ | CAD | CAE | CAF | 179.5° | 179.9° |
CAD | CAJ | CAI | H7 | 143.0° | 136.4° |
CAD | CAJ | CAI | H8 | 95.8° | 101.3° |
CAJ | CAD | CAC | H11 | 144.6° | 136.4° |
CAJ | CAD | CAC | H12 | 94.4° | 101.4° |
CAI | CAB | CAC | H9 | 118.0° | 118.1° |
CAI | CAB | CAC | H10 | 118.0° | 118.1° |
CAI | CAB | CAC | CAD | 36.9° | 26.6° |
CAB | CAI | H7 | H8 | 121.8° | 122.3° |
CAI | CAB | H9 | H10 | 125.8° | 123.9° |
CAI | CAB | CAC | H11 | 156.4° | 145.4° |
CAI | CAB | CAC | H12 | 82.6° | 92.3° |
CAB | CAC | CAD | H11 | 119.5° | 118.9° |
CAB | CAC | CAD | H12 | 119.5° | 118.9° |
CAB | CAC | CAD | CAE | 154.8° | 162.3° |
CAC | CAB | CAI | H7 | 155.5° | 145.4° |
CAC | CAB | CAI | H8 | 83.4° | 92.3° |
CAC | CAB | H9 | H10 | 125.7° | 123.9° |
CAB | CAC | H11 | H12 | 121.5° | 122.3° |
CAC | CAD | CAE | CAF | 0.4° | 0.1° |
CAD | CAC | CAB | H9 | 81.1° | 91.5° |
CAD | CAC | CAB | H10 | 154.9° | 144.6° |
CAD | CAC | H11 | H12 | 121.5° | 122.2° |
CAD | CAE | CAF | OAA | 0.2° | 0.0° |
CAD | CAE | CAF | NAG | 179.4° | 179.8° |
CAE | CAD | CAC | H11 | 35.3° | 43.5° |
CAE | CAD | CAC | H12 | 85.7° | 78.8° |
CAE | CAF | OAA | NAG | 179.3° | 179.7° |
CAE | CAF | NAG | H6 | 179.4° | 179.8° |
OAA | CAF | NAG | H6 | 0.1° | 0.0° |
H2 | CAP | CAO | H4 | 78.3° | 180.0° |
H2 | CAP | CAO | H5 | 41.3° | 60.0° |
H3 | CAP | CAO | H4 | 164.8° | 60.0° |
H3 | CAP | CAO | H5 | 75.7° | 180.0° |
H7 | CAI | CAB | H9 | 37.5° | 27.3° |
H7 | CAI | CAB | H10 | 86.6° | 96.5° |
H8 | CAI | CAB | H9 | 158.7° | 149.6° |
H8 | CAI | CAB | H10 | 34.6° | 25.8° |
H9 | CAB | CAC | H11 | 38.5° | 27.4° |
H9 | CAB | CAC | H12 | 159.5° | 149.6° |
H10 | CAB | CAC | H11 | 85.6° | 96.5° |
H10 | CAB | CAC | H12 | 35.4° | 25.8° |