F70
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAB | CAC | trip | 1.14Å | 1.11Å | |
CAC | CAD | sing | 1.47Å | 1.49Å | |
CAD | OAE | sing | 1.45Å | 1.44Å | |
OAG | CAF | doub | 1.22Å | 1.24Å | |
OAE | CAF | sing | 1.35Å | 1.34Å | |
CAF | CAH | sing | 1.48Å | 1.43Å | |
CAH | CAI | doub | 1.40Å | 1.41Å | Aromatic |
CAH | CAK | sing | 1.40Å | 1.38Å | Aromatic |
CAI | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
CAK | CAL | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAM | doub | 1.40Å | 1.41Å | Aromatic |
CAL | CAM | sing | 1.40Å | 1.41Å | Aromatic |
CAM | CAN | sing | 1.48Å | 1.43Å | |
CAN | OAO | sing | 1.34Å | 1.36Å | |
CAN | CAX | doub | 1.36Å | 1.38Å | |
OAO | CAP | sing | 1.35Å | 1.35Å | |
CAX | CAV | sing | 1.42Å | 1.38Å | |
CAP | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAP | CAU | sing | 1.40Å | 1.39Å | Aromatic |
CAQ | CAR | sing | 1.38Å | 1.40Å | Aromatic |
CAV | CAU | sing | 1.48Å | 1.42Å | |
CAV | OAW | doub | 1.22Å | 1.24Å | |
CAU | CAT | doub | 1.39Å | 1.39Å | Aromatic |
CAR | CAS | doub | 1.39Å | 1.41Å | Aromatic |
CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
CAD | H1 | sing | 1.09Å | 1.10Å | |
CAD | H2 | sing | 1.09Å | 1.10Å | |
CAK | H3 | sing | 1.08Å | 1.08Å | |
CAL | H4 | sing | 1.08Å | 1.08Å | |
CAI | H5 | sing | 1.08Å | 1.08Å | |
CAJ | H6 | sing | 1.08Å | 1.08Å | |
CAQ | H7 | sing | 1.08Å | 1.08Å | |
CAR | H8 | sing | 1.08Å | 1.08Å | |
CAS | H9 | sing | 1.08Å | 1.08Å | |
CAT | H10 | sing | 1.08Å | 1.08Å | |
CAX | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAB | CAC | CAD | 174.1° | 180.0° |
CAC | CAD | OAE | 100.1° | 109.5° |
CAC | CAD | H1 | 111.8° | 109.5° |
CAC | CAD | H2 | 111.8° | 109.5° |
CAD | OAE | CAF | 119.7° | 117.0° |
OAE | CAD | H1 | 111.8° | 109.4° |
OAE | CAD | H2 | 111.8° | 109.5° |
OAG | CAF | OAE | 121.1° | 120.0° |
OAG | CAF | CAH | 123.6° | 120.0° |
OAE | CAF | CAH | 114.7° | 120.0° |
CAF | CAH | CAI | 122.2° | 120.0° |
CAF | CAH | CAK | 121.0° | 120.0° |
CAI | CAH | CAK | 116.7° | 120.0° |
CAH | CAI | CAJ | 122.5° | 120.0° |
CAH | CAI | H5 | 118.8° | 120.0° |
CAH | CAK | CAL | 121.3° | 120.0° |
CAH | CAK | H3 | 119.3° | 120.0° |
CAI | CAJ | CAM | 120.7° | 120.0° |
CAJ | CAI | H5 | 118.7° | 120.0° |
CAI | CAJ | H6 | 119.7° | 120.0° |
CAK | CAL | CAM | 122.5° | 120.0° |
CAL | CAK | H3 | 119.3° | 120.0° |
CAK | CAL | H4 | 118.8° | 120.0° |
CAJ | CAM | CAL | 116.2° | 120.0° |
CAJ | CAM | CAN | 121.1° | 120.0° |
CAM | CAJ | H6 | 119.6° | 120.0° |
CAL | CAM | CAN | 122.7° | 120.0° |
CAM | CAL | H4 | 118.8° | 120.0° |
CAM | CAN | OAO | 116.3° | 118.7° |
CAM | CAN | CAX | 124.7° | 118.7° |
OAO | CAN | CAX | 118.8° | 122.5° |
CAN | OAO | CAP | 123.1° | 122.4° |
CAN | CAX | CAV | 120.6° | 119.5° |
CAN | CAX | H11 | 119.7° | 120.3° |
OAO | CAP | CAQ | 118.4° | 120.9° |
OAO | CAP | CAU | 118.9° | 119.8° |
CAX | CAV | CAU | 118.8° | 117.3° |
CAX | CAV | OAW | 117.7° | 121.4° |
CAV | CAX | H11 | 119.7° | 120.2° |
CAQ | CAP | CAU | 122.7° | 119.3° |
CAP | CAQ | CAR | 119.5° | 119.9° |
CAP | CAQ | H7 | 120.3° | 120.1° |
CAP | CAU | CAV | 119.4° | 118.4° |
CAP | CAU | CAT | 118.4° | 120.2° |
CAQ | CAR | CAS | 117.3° | 120.7° |
CAR | CAQ | H7 | 120.3° | 120.0° |
CAQ | CAR | H8 | 121.4° | 119.6° |
CAU | CAV | OAW | 123.3° | 121.3° |
CAV | CAU | CAT | 122.2° | 121.3° |
CAU | CAT | CAS | 119.5° | 119.6° |
CAU | CAT | H10 | 120.3° | 120.3° |
CAR | CAS | CAT | 122.7° | 120.2° |
CAS | CAR | H8 | 121.4° | 119.6° |
CAR | CAS | H9 | 118.7° | 119.9° |
CAT | CAS | H9 | 118.7° | 119.9° |
CAS | CAT | H10 | 120.2° | 120.1° |
H1 | CAD | H2 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAB | CAC | CAD | OAE | 26.2° | 149.1° |
NAB | CAC | CAD | H1 | 144.6° | 29.1° |
NAB | CAC | CAD | H2 | 92.2° | 90.9° |
CAC | CAD | OAE | H1 | 118.5° | 120.0° |
CAC | CAD | OAE | H2 | 118.4° | 120.1° |
CAC | CAD | OAE | CAF | 170.5° | 180.0° |
CAC | CAD | H1 | H2 | 124.4° | 120.1° |
CAD | OAE | CAF | OAG | 36.4° | 0.1° |
CAD | OAE | CAF | CAH | 151.8° | 180.0° |
OAE | CAD | H1 | H2 | 124.4° | 120.0° |
OAG | CAF | OAE | CAH | 171.7° | 179.9° |
OAG | CAF | CAH | CAI | 153.2° | 0.0° |
OAG | CAF | CAH | CAK | 24.0° | 179.7° |
OAE | CAF | CAH | CAI | 18.3° | 180.0° |
OAE | CAF | CAH | CAK | 164.6° | 0.2° |
CAF | OAE | CAD | H1 | 71.1° | 60.1° |
CAF | OAE | CAD | H2 | 52.0° | 59.9° |
CAF | CAH | CAI | CAK | 177.3° | 179.7° |
CAF | CAH | CAI | CAJ | 178.0° | 180.0° |
CAF | CAH | CAK | CAL | 177.7° | 179.9° |
CAF | CAH | CAK | H3 | 2.3° | 0.0° |
CAF | CAH | CAI | H5 | 2.0° | 0.0° |
CAH | CAI | CAJ | H5 | 180.0° | 180.0° |
CAI | CAH | CAK | CAL | 0.4° | 0.4° |
CAH | CAI | CAJ | CAM | 0.4° | 0.0° |
CAI | CAH | CAK | H3 | 179.6° | 179.7° |
CAH | CAI | CAJ | H6 | 179.6° | 180.0° |
CAK | CAH | CAI | CAJ | 0.8° | 0.3° |
CAH | CAK | CAL | H3 | 180.0° | 179.9° |
CAH | CAK | CAL | CAM | 0.4° | 0.1° |
CAH | CAK | CAL | H4 | 179.6° | 180.0° |
CAK | CAH | CAI | H5 | 179.2° | 179.7° |
CAI | CAJ | CAM | H6 | 180.0° | 179.9° |
CAI | CAJ | CAM | CAL | 0.4° | 0.2° |
CAI | CAJ | CAM | CAN | 178.9° | 180.0° |
CAK | CAL | CAM | CAJ | 0.8° | 0.1° |
CAK | CAL | CAM | H4 | 180.0° | 179.9° |
CAK | CAL | CAM | CAN | 178.6° | 179.9° |
CAJ | CAM | CAL | CAN | 179.3° | 179.8° |
CAJ | CAM | CAN | OAO | 2.3° | 179.8° |
CAJ | CAM | CAN | CAX | 177.0° | 0.0° |
CAJ | CAM | CAL | H4 | 179.2° | 179.7° |
CAM | CAJ | CAI | H5 | 179.6° | 180.0° |
CAL | CAM | CAN | OAO | 178.4° | 0.0° |
CAL | CAM | CAN | CAX | 3.7° | 179.8° |
CAM | CAL | CAK | H3 | 179.6° | 180.0° |
CAL | CAM | CAJ | H6 | 179.6° | 179.7° |
CAM | CAN | OAO | CAX | 175.1° | 179.8° |
CAM | CAN | OAO | CAP | 177.2° | 180.0° |
CAM | CAN | CAX | CAV | 179.7° | 179.8° |
CAN | CAM | CAL | H4 | 1.5° | 0.1° |
CAN | CAM | CAJ | H6 | 1.1° | 0.1° |
CAM | CAN | CAX | H11 | 0.3° | 0.0° |
OAO | CAN | CAX | CAV | 5.1° | 0.5° |
CAN | OAO | CAP | CAQ | 174.6° | 180.0° |
CAN | OAO | CAP | CAU | 4.9° | 0.1° |
OAO | CAN | CAX | H11 | 174.9° | 179.7° |
CAX | CAN | OAO | CAP | 7.8° | 0.3° |
CAN | CAX | CAV | H11 | 180.0° | 179.8° |
CAN | CAX | CAV | CAU | 0.1° | 0.5° |
CAN | CAX | CAV | OAW | 175.4° | 179.8° |
OAO | CAP | CAQ | CAU | 179.5° | 179.9° |
OAO | CAP | CAQ | CAR | 178.2° | 179.9° |
OAO | CAP | CAU | CAV | 0.6° | 0.1° |
OAO | CAP | CAU | CAT | 177.1° | 180.0° |
OAO | CAP | CAQ | H7 | 1.8° | 0.1° |
CAX | CAV | CAU | CAP | 3.0° | 0.3° |
CAX | CAV | CAU | OAW | 175.2° | 179.7° |
CAX | CAV | CAU | CAT | 174.6° | 179.7° |
CAP | CAQ | CAR | H7 | 180.0° | 180.0° |
CAQ | CAP | CAU | CAV | 179.9° | 180.0° |
CAQ | CAP | CAU | CAT | 2.5° | 0.0° |
CAP | CAQ | CAR | CAS | 0.5° | 0.0° |
CAP | CAQ | CAR | H8 | 179.5° | 180.0° |
CAU | CAP | CAQ | CAR | 1.3° | 0.0° |
CAP | CAU | CAV | CAT | 177.6° | 180.0° |
CAP | CAU | CAV | OAW | 172.2° | 180.0° |
CAP | CAU | CAT | CAS | 2.8° | 0.0° |
CAU | CAP | CAQ | H7 | 178.7° | 180.0° |
CAP | CAU | CAT | H10 | 177.2° | 180.0° |
CAQ | CAR | CAS | H8 | 180.0° | 180.0° |
CAQ | CAR | CAS | CAT | 1.0° | 0.0° |
CAQ | CAR | CAS | H9 | 179.0° | 179.9° |
CAV | CAU | CAT | CAS | 179.6° | 180.0° |
CAV | CAU | CAT | H10 | 0.4° | 0.0° |
CAU | CAV | CAX | H11 | 179.9° | 179.7° |
OAW | CAV | CAU | CAT | 10.2° | 0.0° |
OAW | CAV | CAX | H11 | 4.6° | 0.0° |
CAU | CAT | CAS | CAR | 2.2° | 0.0° |
CAU | CAT | CAS | H10 | 180.0° | 180.0° |
CAU | CAT | CAS | H9 | 177.8° | 179.9° |
CAR | CAS | CAT | H9 | 180.0° | 179.9° |
CAS | CAR | CAQ | H7 | 179.5° | 180.0° |
CAR | CAS | CAT | H10 | 177.8° | 180.0° |
CAT | CAS | CAR | H8 | 179.0° | 180.0° |
H3 | CAK | CAL | H4 | 0.4° | 0.1° |
H5 | CAI | CAJ | H6 | 0.4° | 0.0° |
H7 | CAQ | CAR | H8 | 0.5° | 0.0° |
H8 | CAR | CAS | H9 | 1.0° | 0.1° |
H9 | CAS | CAT | H10 | 2.2° | 0.1° |