F9W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAS | CAE | sing | 1.43Å | 1.46Å | |
CAN | OAO | sing | 1.43Å | 1.46Å | |
CAN | CAM | sing | 1.51Å | 1.44Å | |
CAM | CAE | sing | 1.50Å | 1.46Å | |
CAM | CAL | doub | 1.29Å | 1.40Å | |
CAE | CAD | sing | 1.53Å | 1.54Å | |
CAL | CAB | sing | 1.50Å | 1.42Å | |
OAT | CAD | sing | 1.43Å | 1.42Å | |
CAC | CAD | sing | 1.53Å | 1.55Å | |
CAC | CAB | sing | 1.53Å | 1.52Å | |
CAC | OAR | sing | 1.43Å | 1.45Å | |
CAB | OAG | sing | 1.43Å | 1.45Å | |
OAG | CAI | sing | 1.36Å | 1.36Å | |
CAJ | CAI | doub | 1.39Å | 1.39Å | Aromatic |
CAJ | CAK | sing | 1.38Å | 1.40Å | Aromatic |
CAI | CAP | sing | 1.39Å | 1.38Å | Aromatic |
FAH | CAK | sing | 1.35Å | 1.37Å | |
CAK | CAF | doub | 1.38Å | 1.38Å | Aromatic |
CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
CAQ | FAA | sing | 1.35Å | 1.32Å | |
CAJ | H1 | sing | 1.08Å | 1.08Å | |
CAF | H2 | sing | 1.08Å | 1.08Å | |
CAP | H3 | sing | 1.08Å | 1.08Å | |
CAB | H4 | sing | 1.09Å | 1.10Å | |
CAL | H5 | sing | 1.08Å | 1.08Å | |
CAC | H6 | sing | 1.09Å | 1.10Å | |
OAR | H7 | sing | 0.97Å | 0.95Å | |
CAD | H8 | sing | 1.09Å | 1.10Å | |
OAT | H9 | sing | 0.97Å | 0.95Å | |
CAE | H10 | sing | 1.09Å | 1.10Å | |
OAS | H11 | sing | 0.97Å | 0.95Å | |
CAN | H12 | sing | 1.09Å | 1.10Å | |
CAN | H13 | sing | 1.09Å | 1.10Å | |
OAO | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAS | CAE | CAM | 110.7° | 109.3° |
OAS | CAE | CAD | 107.2° | 109.4° |
OAS | CAE | H10 | 108.7° | 109.4° |
CAE | OAS | H11 | 109.5° | 114.0° |
OAO | CAN | CAM | 116.4° | 109.4° |
OAO | CAN | H12 | 107.7° | 109.5° |
OAO | CAN | H13 | 107.7° | 109.5° |
CAN | OAO | H14 | 109.5° | 114.0° |
CAN | CAM | CAE | 118.1° | 117.9° |
CAN | CAM | CAL | 120.2° | 117.9° |
CAM | CAN | H12 | 107.7° | 109.5° |
CAM | CAN | H13 | 107.7° | 109.5° |
CAE | CAM | CAL | 121.4° | 124.2° |
CAM | CAE | CAD | 113.7° | 110.1° |
CAM | CAE | H10 | 108.7° | 109.3° |
CAM | CAL | CAB | 123.9° | 124.1° |
CAM | CAL | H5 | 118.0° | 118.0° |
CAE | CAD | OAT | 110.9° | 109.8° |
CAE | CAD | CAC | 109.3° | 108.5° |
CAE | CAD | H8 | 109.1° | 109.7° |
CAD | CAE | H10 | 107.8° | 109.4° |
CAL | CAB | CAC | 110.1° | 110.0° |
CAL | CAB | OAG | 113.2° | 109.4° |
CAL | CAB | H4 | 109.3° | 109.3° |
CAB | CAL | H5 | 118.1° | 118.0° |
OAT | CAD | CAC | 108.0° | 109.6° |
OAT | CAD | H8 | 110.7° | 109.6° |
CAD | OAT | H9 | 109.5° | 114.0° |
CAD | CAC | CAB | 108.0° | 108.4° |
CAD | CAC | OAR | 111.2° | 109.6° |
CAD | CAC | H6 | 108.8° | 109.6° |
CAC | CAD | H8 | 108.8° | 109.6° |
CAB | CAC | OAR | 109.4° | 109.7° |
CAC | CAB | OAG | 107.1° | 109.4° |
CAC | CAB | H4 | 108.0° | 109.4° |
CAB | CAC | H6 | 109.3° | 109.6° |
OAR | CAC | H6 | 110.2° | 109.8° |
CAC | OAR | H7 | 109.5° | 114.0° |
CAB | OAG | CAI | 119.7° | 117.0° |
OAG | CAB | H4 | 108.9° | 109.3° |
OAG | CAI | CAJ | 123.7° | 120.0° |
OAG | CAI | CAP | 116.7° | 120.0° |
CAI | CAJ | CAK | 120.2° | 120.0° |
CAJ | CAI | CAP | 119.6° | 120.0° |
CAI | CAJ | H1 | 119.9° | 120.0° |
CAJ | CAK | FAH | 120.7° | 120.0° |
CAJ | CAK | CAF | 120.0° | 120.0° |
CAK | CAJ | H1 | 119.9° | 120.0° |
CAI | CAP | CAQ | 120.0° | 119.9° |
CAI | CAP | H3 | 120.0° | 120.1° |
FAH | CAK | CAF | 119.3° | 120.0° |
CAK | CAF | CAQ | 119.5° | 120.0° |
CAK | CAF | H2 | 120.3° | 120.0° |
CAP | CAQ | CAF | 120.7° | 120.0° |
CAP | CAQ | FAA | 118.9° | 120.0° |
CAQ | CAP | H3 | 120.0° | 120.0° |
CAF | CAQ | FAA | 120.3° | 119.9° |
CAQ | CAF | H2 | 120.3° | 120.0° |
H12 | CAN | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAS | CAE | CAM | CAN | 64.3° | 42.7° |
OAS | CAE | CAM | CAD | 120.7° | 120.2° |
OAS | CAE | CAM | H10 | 119.3° | 119.6° |
OAS | CAE | CAM | CAL | 110.0° | 137.3° |
OAS | CAE | CAD | H10 | 116.8° | 119.7° |
OAS | CAE | CAD | OAT | 36.7° | 49.7° |
OAS | CAE | CAD | CAC | 82.3° | 169.5° |
OAS | CAE | CAD | H8 | 158.8° | 70.8° |
OAO | CAN | CAM | H12 | 121.0° | 120.0° |
OAO | CAN | CAM | H13 | 121.0° | 120.0° |
OAO | CAN | CAM | CAE | 168.2° | 180.0° |
OAO | CAN | CAM | CAL | 17.4° | 0.0° |
OAO | CAN | H12 | H13 | 116.9° | 120.0° |
CAN | CAM | CAE | CAL | 174.3° | 180.0° |
CAN | CAM | CAE | CAD | 175.0° | 162.9° |
CAN | CAM | CAL | CAB | 178.2° | 179.5° |
CAN | CAM | CAL | H5 | 1.8° | 0.5° |
CAN | CAM | CAE | H10 | 55.0° | 76.9° |
CAM | CAN | H12 | H13 | 116.9° | 120.0° |
CAM | CAN | OAO | H14 | 180.0° | 179.9° |
CAM | CAE | CAD | H10 | 120.5° | 120.1° |
CAE | CAM | CAL | CAB | 4.0° | 0.5° |
CAM | CAE | CAD | OAT | 159.3° | 70.5° |
CAM | CAE | CAD | CAC | 40.3° | 49.4° |
CAE | CAM | CAL | H5 | 176.0° | 179.5° |
CAM | CAE | CAD | H8 | 78.6° | 169.0° |
CAM | CAE | OAS | H11 | 180.0° | 59.3° |
CAE | CAM | CAN | H12 | 70.8° | 60.0° |
CAE | CAM | CAN | H13 | 47.2° | 60.0° |
CAL | CAM | CAE | CAD | 10.6° | 17.1° |
CAM | CAL | CAB | H5 | 180.0° | 180.0° |
CAM | CAL | CAB | CAC | 27.9° | 17.2° |
CAM | CAL | CAB | OAG | 92.0° | 137.4° |
CAM | CAL | CAB | H4 | 146.4° | 102.9° |
CAL | CAM | CAE | H10 | 130.6° | 103.1° |
CAL | CAM | CAN | H12 | 103.6° | 120.0° |
CAL | CAM | CAN | H13 | 138.4° | 119.9° |
CAE | CAD | OAT | CAC | 119.7° | 119.1° |
CAE | CAD | OAT | H8 | 121.2° | 120.6° |
CAE | CAD | CAC | H8 | 119.0° | 119.7° |
CAE | CAD | CAC | CAB | 64.2° | 67.4° |
CAE | CAD | CAC | OAR | 175.8° | 52.2° |
CAE | CAD | CAC | H6 | 54.3° | 172.9° |
CAE | CAD | OAT | H9 | 180.0° | 60.9° |
CAD | CAE | OAS | H11 | 55.6° | 180.0° |
CAL | CAB | CAC | CAD | 56.8° | 49.5° |
CAL | CAB | CAC | OAG | 123.5° | 120.2° |
CAL | CAB | CAC | H4 | 119.3° | 120.1° |
CAL | CAB | CAC | OAR | 177.9° | 70.2° |
CAL | CAB | OAG | H4 | 121.8° | 119.7° |
CAL | CAB | OAG | CAI | 74.3° | 84.3° |
CAL | CAB | CAC | H6 | 61.4° | 169.1° |
OAT | CAD | CAC | H8 | 120.3° | 120.3° |
OAT | CAD | CAC | CAB | 175.1° | 52.5° |
OAT | CAD | CAC | OAR | 55.1° | 172.2° |
OAT | CAD | CAC | H6 | 66.4° | 67.2° |
OAT | CAD | CAE | H10 | 80.2° | 169.4° |
CAD | CAC | CAB | OAR | 121.1° | 119.7° |
CAD | CAC | CAB | H6 | 118.1° | 119.7° |
CAD | CAC | OAR | H6 | 120.7° | 120.5° |
CAD | CAC | CAB | OAG | 66.8° | 169.7° |
CAD | CAC | CAB | H4 | 176.1° | 70.6° |
CAD | CAC | OAR | H7 | 180.0° | 180.0° |
CAC | CAD | OAT | H9 | 60.3° | 180.0° |
CAC | CAD | CAE | H10 | 160.9° | 70.8° |
CAB | CAC | OAR | H6 | 120.2° | 120.5° |
CAC | CAB | OAG | H4 | 116.6° | 119.7° |
CAC | CAB | OAG | CAI | 164.1° | 155.2° |
CAC | CAB | CAL | H5 | 152.2° | 162.8° |
CAB | CAC | OAR | H7 | 60.9° | 61.0° |
CAB | CAC | CAD | H8 | 54.8° | 172.8° |
OAR | CAC | CAB | OAG | 54.3° | 50.0° |
OAR | CAC | CAB | H4 | 62.8° | 169.7° |
OAR | CAC | CAD | H8 | 65.2° | 67.5° |
CAB | OAG | CAI | CAJ | 34.6° | 5.4° |
CAB | OAG | CAI | CAP | 147.1° | 174.6° |
OAG | CAB | CAL | H5 | 88.0° | 42.6° |
OAG | CAB | CAC | H6 | 175.1° | 70.7° |
OAG | CAI | CAJ | CAP | 178.3° | 180.0° |
OAG | CAI | CAJ | CAK | 180.0° | 180.0° |
OAG | CAI | CAP | CAQ | 179.0° | 179.9° |
OAG | CAI | CAJ | H1 | 0.0° | 0.3° |
OAG | CAI | CAP | H3 | 1.0° | 0.0° |
CAI | OAG | CAB | H4 | 47.5° | 35.4° |
CAI | CAJ | CAK | H1 | 180.0° | 179.7° |
CAI | CAJ | CAK | FAH | 178.8° | 180.0° |
CAI | CAJ | CAK | CAF | 0.9° | 0.0° |
CAJ | CAI | CAP | CAQ | 0.7° | 0.1° |
CAJ | CAI | CAP | H3 | 179.4° | 180.0° |
CAK | CAJ | CAI | CAP | 1.7° | 0.0° |
CAJ | CAK | FAH | CAF | 179.7° | 180.0° |
CAJ | CAK | CAF | CAQ | 0.9° | 0.0° |
CAJ | CAK | CAF | H2 | 179.1° | 180.0° |
CAI | CAP | CAQ | H3 | 180.0° | 179.9° |
CAI | CAP | CAQ | CAF | 1.2° | 0.1° |
CAI | CAP | CAQ | FAA | 179.7° | 179.9° |
CAP | CAI | CAJ | H1 | 178.3° | 179.7° |
FAH | CAK | CAF | CAQ | 179.4° | 180.0° |
FAH | CAK | CAJ | H1 | 1.2° | 0.3° |
FAH | CAK | CAF | H2 | 0.6° | 0.0° |
CAK | CAF | CAQ | CAP | 1.9° | 0.1° |
CAK | CAF | CAQ | H2 | 180.0° | 180.0° |
CAK | CAF | CAQ | FAA | 179.5° | 180.0° |
CAF | CAK | CAJ | H1 | 179.0° | 179.7° |
CAP | CAQ | CAF | FAA | 178.5° | 180.0° |
CAP | CAQ | CAF | H2 | 178.1° | 180.0° |
CAF | CAQ | CAP | H3 | 178.8° | 180.0° |
FAA | CAQ | CAF | H2 | 0.5° | 0.0° |
FAA | CAQ | CAP | H3 | 0.3° | 0.0° |
H4 | CAB | CAL | H5 | 33.6° | 77.1° |
H4 | CAB | CAC | H6 | 57.9° | 49.0° |
H6 | CAC | OAR | H7 | 59.3° | 59.5° |
H6 | CAC | CAD | H8 | 173.3° | 53.2° |
H8 | CAD | OAT | H9 | 58.8° | 59.7° |
H8 | CAD | CAE | H10 | 42.0° | 48.9° |
H10 | CAE | OAS | H11 | 60.7° | 60.3° |
H12 | CAN | OAO | H14 | 59.0° | 60.1° |
H13 | CAN | OAO | H14 | 59.0° | 60.0° |