FEQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAX | NAS | sing | 1.22Å | 1.44Å | |
NAS | OAW | doub | 1.22Å | 1.63Å | |
NAS | CAP | sing | 1.48Å | 1.36Å | |
CAO | CAP | doub | 1.38Å | 1.40Å | Aromatic |
CAO | CAN | sing | 1.38Å | 1.40Å | Aromatic |
OAU | NAT | sing | 1.22Å | 1.43Å | |
CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
OAV | NAT | doub | 1.22Å | 1.34Å | |
NAT | CAN | sing | 1.48Å | 1.36Å | |
CAN | CAM | doub | 1.39Å | 1.41Å | Aromatic |
CAQ | CAR | doub | 1.38Å | 1.40Å | Aromatic |
CAM | CAR | sing | 1.39Å | 1.39Å | Aromatic |
CAM | OAL | sing | 1.36Å | 1.36Å | |
OAL | CAA | sing | 1.43Å | 1.48Å | |
FAH | CAE | sing | 1.40Å | 1.53Å | |
CAD | OAG | sing | 1.43Å | 1.49Å | |
CAD | CAE | sing | 1.53Å | 1.51Å | |
CAD | CAC | sing | 1.53Å | 1.56Å | |
CAA | CAE | sing | 1.53Å | 1.54Å | |
CAA | CAB | sing | 1.50Å | 1.44Å | |
CAB | CAI | doub | 1.30Å | 1.40Å | |
CAC | CAI | sing | 1.50Å | 1.42Å | |
CAC | OAF | sing | 1.43Å | 1.46Å | |
CAI | CAJ | sing | 1.51Å | 1.45Å | |
CAJ | OAK | sing | 1.43Å | 1.45Å | |
CAO | H1 | sing | 1.08Å | 1.08Å | |
CAQ | H2 | sing | 1.08Å | 1.08Å | |
CAR | H3 | sing | 1.08Å | 1.08Å | |
CAA | H4 | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.08Å | 1.08Å | |
CAE | H6 | sing | 1.09Å | 1.10Å | |
CAD | H7 | sing | 1.09Å | 1.10Å | |
OAG | H8 | sing | 0.97Å | 0.95Å | |
CAC | H9 | sing | 1.09Å | 1.10Å | |
OAF | H10 | sing | 0.97Å | 0.95Å | |
CAJ | H11 | sing | 1.09Å | 1.10Å | |
CAJ | H12 | sing | 1.09Å | 1.10Å | |
OAK | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAX | NAS | OAW | 121.3° | 120.0° |
OAX | NAS | CAP | 119.0° | 120.1° |
OAW | NAS | CAP | 117.3° | 119.9° |
NAS | CAP | CAO | 122.0° | 120.0° |
NAS | CAP | CAQ | 118.9° | 119.9° |
CAP | CAO | CAN | 121.1° | 120.1° |
CAO | CAP | CAQ | 119.1° | 120.1° |
CAP | CAO | H1 | 119.5° | 120.0° |
CAO | CAN | NAT | 119.3° | 120.0° |
CAO | CAN | CAM | 119.0° | 120.0° |
CAN | CAO | H1 | 119.5° | 120.0° |
OAU | NAT | OAV | 117.0° | 120.0° |
OAU | NAT | CAN | 125.6° | 120.0° |
CAP | CAQ | CAR | 120.3° | 120.0° |
CAP | CAQ | H2 | 119.8° | 120.0° |
OAV | NAT | CAN | 117.0° | 120.0° |
NAT | CAN | CAM | 121.4° | 120.0° |
CAN | CAM | CAR | 120.2° | 119.8° |
CAN | CAM | OAL | 118.9° | 120.1° |
CAQ | CAR | CAM | 120.2° | 120.0° |
CAR | CAQ | H2 | 119.8° | 119.9° |
CAQ | CAR | H3 | 119.9° | 120.0° |
CAR | CAM | OAL | 120.6° | 120.1° |
CAM | CAR | H3 | 119.9° | 120.0° |
CAM | OAL | CAA | 122.1° | 117.0° |
OAL | CAA | CAE | 104.8° | 109.4° |
OAL | CAA | CAB | 110.8° | 109.4° |
OAL | CAA | H4 | 109.8° | 109.3° |
FAH | CAE | CAD | 103.9° | 109.8° |
FAH | CAE | CAA | 111.4° | 109.6° |
FAH | CAE | H6 | 111.0° | 109.7° |
OAG | CAD | CAE | 115.3° | 109.7° |
OAG | CAD | CAC | 109.4° | 109.7° |
OAG | CAD | H7 | 107.9° | 109.6° |
CAD | OAG | H8 | 109.5° | 114.0° |
CAE | CAD | CAC | 109.3° | 108.4° |
CAD | CAE | CAA | 108.1° | 108.4° |
CAD | CAE | H6 | 111.3° | 109.6° |
CAE | CAD | H7 | 107.6° | 109.6° |
CAD | CAC | CAI | 114.4° | 110.1° |
CAD | CAC | OAF | 107.4° | 109.3° |
CAC | CAD | H7 | 107.0° | 109.8° |
CAD | CAC | H9 | 106.1° | 109.4° |
CAE | CAA | CAB | 112.0° | 110.2° |
CAE | CAA | H4 | 108.9° | 109.4° |
CAA | CAE | H6 | 110.9° | 109.6° |
CAA | CAB | CAI | 123.0° | 124.1° |
CAB | CAA | H4 | 110.4° | 109.2° |
CAA | CAB | H5 | 118.5° | 118.0° |
CAB | CAI | CAC | 121.9° | 124.1° |
CAB | CAI | CAJ | 121.9° | 118.0° |
CAI | CAB | H5 | 118.5° | 117.9° |
CAI | CAC | OAF | 113.6° | 109.3° |
CAC | CAI | CAJ | 115.7° | 118.0° |
CAI | CAC | H9 | 107.7° | 109.4° |
OAF | CAC | H9 | 107.2° | 109.3° |
CAC | OAF | H10 | 109.5° | 114.0° |
CAI | CAJ | OAK | 115.5° | 109.5° |
CAI | CAJ | H11 | 108.0° | 109.5° |
CAI | CAJ | H12 | 107.9° | 109.5° |
OAK | CAJ | H11 | 107.9° | 109.4° |
OAK | CAJ | H12 | 108.0° | 109.5° |
CAJ | OAK | H13 | 109.5° | 114.0° |
H11 | CAJ | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAX | NAS | OAW | CAP | 162.1° | 180.0° |
OAX | NAS | CAP | CAO | 0.4° | 179.9° |
OAX | NAS | CAP | CAQ | 175.7° | 0.0° |
OAW | NAS | CAP | CAO | 162.9° | 0.0° |
OAW | NAS | CAP | CAQ | 13.1° | 180.0° |
NAS | CAP | CAO | CAQ | 176.0° | 180.0° |
NAS | CAP | CAO | CAN | 176.5° | 180.0° |
NAS | CAP | CAQ | CAR | 177.9° | 180.0° |
NAS | CAP | CAO | H1 | 3.5° | 0.0° |
NAS | CAP | CAQ | H2 | 2.1° | 0.1° |
CAP | CAO | CAN | H1 | 180.0° | 179.9° |
CAP | CAO | CAN | NAT | 177.3° | 180.0° |
CAP | CAO | CAN | CAM | 2.7° | 0.3° |
CAO | CAP | CAQ | CAR | 1.8° | 0.0° |
CAO | CAP | CAQ | H2 | 178.2° | 180.0° |
CAO | CAN | NAT | OAU | 131.0° | 0.3° |
CAN | CAO | CAP | CAQ | 0.5° | 0.1° |
CAO | CAN | NAT | OAV | 41.9° | 180.0° |
CAO | CAN | NAT | CAM | 174.5° | 179.7° |
CAO | CAN | CAM | CAR | 4.6° | 0.6° |
CAO | CAN | CAM | OAL | 178.5° | 179.7° |
OAU | NAT | OAV | CAN | 173.5° | 179.7° |
OAU | NAT | CAN | CAM | 54.5° | 180.0° |
CAP | CAQ | CAR | H2 | 180.0° | 180.0° |
CAP | CAQ | CAR | CAM | 0.1° | 0.3° |
CAQ | CAP | CAO | H1 | 179.5° | 180.0° |
CAP | CAQ | CAR | H3 | 179.8° | 180.0° |
OAV | NAT | CAN | CAM | 132.6° | 0.3° |
NAT | CAN | CAM | CAR | 179.1° | 179.7° |
NAT | CAN | CAM | OAL | 6.9° | 0.0° |
NAT | CAN | CAO | H1 | 2.7° | 0.0° |
CAN | CAM | CAR | CAQ | 3.4° | 0.5° |
CAN | CAM | CAR | OAL | 173.8° | 179.7° |
CAN | CAM | OAL | CAA | 134.1° | 174.4° |
CAM | CAN | CAO | H1 | 177.3° | 179.7° |
CAN | CAM | CAR | H3 | 176.6° | 179.8° |
CAQ | CAR | CAM | H3 | 180.0° | 179.7° |
CAQ | CAR | CAM | OAL | 177.2° | 179.8° |
CAR | CAM | OAL | CAA | 52.0° | 5.3° |
CAM | CAR | CAQ | H2 | 179.9° | 179.8° |
CAM | OAL | CAA | CAE | 157.6° | 155.6° |
CAM | OAL | CAA | CAB | 81.4° | 83.7° |
OAL | CAM | CAR | H3 | 2.8° | 0.0° |
CAM | OAL | CAA | H4 | 40.7° | 35.9° |
OAL | CAA | CAE | FAH | 44.8° | 49.8° |
OAL | CAA | CAE | CAD | 68.7° | 169.7° |
OAL | CAA | CAE | CAB | 120.2° | 120.2° |
OAL | CAA | CAE | H4 | 117.4° | 119.7° |
OAL | CAA | CAB | H4 | 121.8° | 119.6° |
OAL | CAA | CAB | CAI | 99.7° | 137.4° |
OAL | CAA | CAB | H5 | 80.3° | 42.6° |
OAL | CAA | CAE | H6 | 169.0° | 70.6° |
FAH | CAE | CAD | OAG | 54.4° | 172.0° |
FAH | CAE | CAD | CAA | 118.5° | 119.8° |
FAH | CAE | CAD | H6 | 119.5° | 120.6° |
FAH | CAE | CAD | CAC | 178.2° | 52.3° |
FAH | CAE | CAA | H6 | 124.1° | 120.4° |
FAH | CAE | CAA | CAB | 165.0° | 70.5° |
FAH | CAE | CAA | H4 | 72.6° | 169.4° |
FAH | CAE | CAD | H7 | 65.9° | 67.5° |
OAG | CAD | CAE | CAC | 123.8° | 119.7° |
OAG | CAD | CAE | H7 | 120.4° | 120.4° |
OAG | CAD | CAC | H7 | 116.6° | 120.5° |
OAG | CAD | CAE | CAA | 172.9° | 52.3° |
OAG | CAD | CAC | CAI | 168.5° | 70.2° |
OAG | CAD | CAC | OAF | 41.5° | 49.9° |
OAG | CAD | CAE | H6 | 65.0° | 67.4° |
OAG | CAD | CAC | H9 | 72.9° | 169.5° |
CAE | CAD | CAC | H7 | 116.2° | 119.8° |
CAD | CAE | CAA | H6 | 122.3° | 119.7° |
CAD | CAE | CAA | CAB | 51.5° | 49.4° |
CAE | CAD | CAC | CAI | 41.4° | 49.5° |
CAE | CAD | CAC | OAF | 85.7° | 169.6° |
CAD | CAE | CAA | H4 | 173.9° | 70.6° |
CAE | CAD | OAG | H8 | 180.0° | 60.0° |
CAE | CAD | CAC | H9 | 159.9° | 70.7° |
CAC | CAD | CAE | CAA | 63.3° | 67.5° |
CAD | CAC | CAI | CAB | 6.2° | 17.2° |
CAD | CAC | CAI | OAF | 123.8° | 120.1° |
CAD | CAC | CAI | H9 | 117.7° | 120.2° |
CAD | CAC | OAF | H9 | 113.7° | 119.7° |
CAD | CAC | CAI | CAJ | 165.6° | 162.8° |
CAC | CAD | CAE | H6 | 58.7° | 172.9° |
CAC | CAD | OAG | H8 | 56.4° | 179.0° |
CAD | CAC | OAF | H10 | 180.0° | 180.0° |
CAE | CAA | CAB | H4 | 121.6° | 120.2° |
CAE | CAA | CAB | CAI | 16.9° | 17.1° |
CAE | CAA | CAB | H5 | 163.1° | 162.9° |
CAA | CAE | CAD | H7 | 52.6° | 172.7° |
CAA | CAB | CAI | H5 | 180.0° | 180.0° |
CAA | CAB | CAI | CAC | 6.5° | 0.5° |
CAA | CAB | CAI | CAJ | 177.7° | 179.5° |
CAB | CAA | CAE | H6 | 70.9° | 169.1° |
CAB | CAI | CAC | CAJ | 171.7° | 180.0° |
CAB | CAI | CAC | OAF | 117.6° | 137.3° |
CAB | CAI | CAJ | OAK | 6.6° | 0.0° |
CAI | CAB | CAA | H4 | 138.5° | 103.0° |
CAB | CAI | CAC | H9 | 123.8° | 103.0° |
CAB | CAI | CAJ | H11 | 114.2° | 120.0° |
CAB | CAI | CAJ | H12 | 127.5° | 120.0° |
CAI | CAC | OAF | H9 | 118.8° | 119.7° |
CAC | CAI | CAJ | OAK | 178.4° | 180.0° |
CAC | CAI | CAB | H5 | 173.5° | 179.5° |
CAI | CAC | CAD | H7 | 74.8° | 169.3° |
CAI | CAC | OAF | H10 | 52.5° | 59.4° |
CAC | CAI | CAJ | H11 | 57.5° | 60.0° |
CAC | CAI | CAJ | H12 | 60.7° | 60.0° |
OAF | CAC | CAI | CAJ | 70.6° | 42.7° |
OAF | CAC | CAD | H7 | 158.1° | 70.6° |
CAI | CAJ | OAK | H11 | 120.9° | 120.0° |
CAI | CAJ | OAK | H12 | 120.9° | 120.1° |
CAJ | CAI | CAB | H5 | 2.3° | 0.5° |
CAJ | CAI | CAC | H9 | 47.9° | 77.0° |
CAI | CAJ | H11 | H12 | 117.3° | 120.0° |
CAI | CAJ | OAK | H13 | 180.0° | 180.0° |
OAK | CAJ | H11 | H12 | 117.3° | 120.0° |
H2 | CAQ | CAR | H3 | 0.2° | 0.1° |
H4 | CAA | CAB | H5 | 41.5° | 76.9° |
H4 | CAA | CAE | H6 | 51.6° | 49.0° |
H6 | CAE | CAD | H7 | 174.6° | 53.0° |
H7 | CAD | OAG | H8 | 59.8° | 60.4° |
H7 | CAD | CAC | H9 | 43.7° | 49.0° |
H9 | CAC | OAF | H10 | 66.3° | 60.3° |
H11 | CAJ | OAK | H13 | 59.1° | 60.0° |
H12 | CAJ | OAK | H13 | 59.2° | 60.0° |