F2W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAN | OAL | sing | 1.43Å | 1.44Å | |
NAH | CAO | sing | 1.47Å | 1.48Å | |
NAH | CAG | sing | 1.47Å | 1.47Å | |
NAH | CAI | sing | 1.47Å | 1.47Å | |
CAG | CAE | sing | 1.51Å | 1.36Å | |
CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
CAD | CAC | sing | 1.38Å | 1.38Å | Aromatic |
CAE | CAF | sing | 1.38Å | 1.37Å | Aromatic |
OAL | CAC | sing | 1.36Å | 1.37Å | |
CAC | CAB | doub | 1.39Å | 1.39Å | Aromatic |
CAF | CAJ | sing | 1.51Å | 1.38Å | |
CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
CAI | CAJ | sing | 1.53Å | 1.56Å | |
CAB | CAA | sing | 1.38Å | 1.40Å | Aromatic |
CAB | OAK | sing | 1.36Å | 1.37Å | |
OAK | CAM | sing | 1.43Å | 1.45Å | |
CAM | H1 | sing | 1.09Å | 1.10Å | |
CAM | H2 | sing | 1.09Å | 1.10Å | |
CAM | H3 | sing | 1.09Å | 1.10Å | |
CAA | H4 | sing | 1.08Å | 1.08Å | |
CAJ | H5 | sing | 1.09Å | 1.10Å | |
CAJ | H6 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.09Å | 1.10Å | |
NAH | H9 | sing | 1.01Å | 1.00Å | |
CAO | H10 | sing | 1.09Å | 1.10Å | |
CAO | H11 | sing | 1.09Å | 1.10Å | |
CAO | H12 | sing | 1.09Å | 1.10Å | |
CAG | H13 | sing | 1.09Å | 1.10Å | |
CAG | H14 | sing | 1.09Å | 1.10Å | |
CAD | H15 | sing | 1.08Å | 1.08Å | |
CAN | H16 | sing | 1.09Å | 1.10Å | |
CAN | H17 | sing | 1.09Å | 1.10Å | |
CAN | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAN | OAL | CAC | 118.9° | 117.0° |
OAL | CAN | H16 | 109.5° | 109.5° |
OAL | CAN | H17 | 109.5° | 109.5° |
OAL | CAN | H18 | 109.4° | 109.5° |
CAO | NAH | CAG | 104.0° | 109.5° |
CAO | NAH | CAI | 101.9° | 109.5° |
CAO | NAH | H9 | 116.3° | 109.5° |
NAH | CAO | H10 | 109.5° | 109.5° |
NAH | CAO | H11 | 109.5° | 109.5° |
NAH | CAO | H12 | 109.5° | 109.5° |
CAG | NAH | CAI | 99.4° | 109.0° |
NAH | CAG | CAE | 125.7° | 110.6° |
CAG | NAH | H9 | 116.4° | 109.6° |
NAH | CAG | H13 | 105.3° | 109.3° |
NAH | CAG | H14 | 105.3° | 109.3° |
NAH | CAI | CAJ | 104.3° | 108.5° |
NAH | CAI | H7 | 110.8° | 109.6° |
NAH | CAI | H8 | 110.8° | 109.8° |
CAI | NAH | H9 | 116.3° | 109.7° |
CAG | CAE | CAD | 122.1° | 118.4° |
CAG | CAE | CAF | 116.2° | 121.7° |
CAE | CAG | H13 | 105.2° | 109.2° |
CAE | CAG | H14 | 105.3° | 109.2° |
CAE | CAD | CAC | 119.1° | 120.3° |
CAD | CAE | CAF | 120.8° | 119.8° |
CAE | CAD | H15 | 120.5° | 119.8° |
CAD | CAC | OAL | 124.4° | 120.1° |
CAD | CAC | CAB | 120.1° | 119.8° |
CAC | CAD | H15 | 120.4° | 119.8° |
CAE | CAF | CAJ | 116.6° | 121.4° |
CAE | CAF | CAA | 120.6° | 120.0° |
OAL | CAC | CAB | 115.4° | 120.1° |
CAC | CAB | CAA | 120.7° | 119.7° |
CAC | CAB | OAK | 115.9° | 120.2° |
CAJ | CAF | CAA | 122.5° | 118.5° |
CAF | CAJ | CAI | 117.6° | 109.8° |
CAF | CAJ | H5 | 107.4° | 109.4° |
CAF | CAJ | H6 | 107.4° | 109.4° |
CAF | CAA | CAB | 118.3° | 120.3° |
CAF | CAA | H4 | 120.8° | 119.8° |
CAI | CAJ | H5 | 107.4° | 109.4° |
CAI | CAJ | H6 | 107.4° | 109.3° |
CAJ | CAI | H7 | 110.8° | 109.6° |
CAJ | CAI | H8 | 110.8° | 109.6° |
CAA | CAB | OAK | 123.3° | 120.2° |
CAB | CAA | H4 | 120.8° | 119.9° |
CAB | OAK | CAM | 110.2° | 117.0° |
OAK | CAM | H1 | 109.5° | 109.4° |
OAK | CAM | H2 | 109.5° | 109.5° |
OAK | CAM | H3 | 109.5° | 109.5° |
H1 | CAM | H2 | 109.5° | 109.5° |
H1 | CAM | H3 | 109.4° | 109.5° |
H2 | CAM | H3 | 109.4° | 109.5° |
H5 | CAJ | H6 | 109.4° | 109.4° |
H7 | CAI | H8 | 109.4° | 109.6° |
H10 | CAO | H11 | 109.5° | 109.4° |
H10 | CAO | H12 | 109.5° | 109.5° |
H11 | CAO | H12 | 109.5° | 109.5° |
H13 | CAG | H14 | 109.5° | 109.2° |
H16 | CAN | H17 | 109.5° | 109.4° |
H16 | CAN | H18 | 109.5° | 109.5° |
H17 | CAN | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAN | OAL | CAC | CAD | 3.6° | 0.0° |
CAN | OAL | CAC | CAB | 179.9° | 179.5° |
OAL | CAN | H16 | H17 | 120.0° | 119.9° |
OAL | CAN | H16 | H18 | 120.0° | 120.0° |
OAL | CAN | H17 | H18 | 120.0° | 120.0° |
CAO | NAH | CAG | CAI | 104.9° | 119.8° |
CAO | NAH | CAG | H9 | 129.3° | 120.2° |
CAO | NAH | CAI | H9 | 127.5° | 120.2° |
CAO | NAH | CAG | CAE | 161.8° | 173.7° |
CAO | NAH | CAI | CAJ | 169.0° | 167.6° |
CAO | NAH | CAI | H7 | 71.8° | 72.7° |
CAO | NAH | CAI | H8 | 49.8° | 47.8° |
NAH | CAO | H10 | H11 | 120.0° | 120.0° |
NAH | CAO | H10 | H12 | 120.0° | 120.0° |
NAH | CAO | H11 | H12 | 120.0° | 120.0° |
CAO | NAH | CAG | H13 | 39.7° | 53.5° |
CAO | NAH | CAG | H14 | 76.0° | 66.0° |
CAG | NAH | CAI | H9 | 125.9° | 120.0° |
NAH | CAG | CAE | H13 | 122.2° | 120.3° |
NAH | CAG | CAE | H14 | 122.2° | 120.3° |
NAH | CAG | CAE | CAD | 162.4° | 161.5° |
NAH | CAG | CAE | CAF | 28.2° | 18.5° |
CAG | NAH | CAI | CAJ | 62.4° | 72.5° |
CAG | NAH | CAI | H7 | 178.4° | 47.1° |
CAG | NAH | CAI | H8 | 56.8° | 167.6° |
CAG | NAH | CAO | H10 | 180.0° | 60.0° |
CAG | NAH | CAO | H11 | 60.0° | 180.0° |
CAG | NAH | CAO | H12 | 60.0° | 60.0° |
NAH | CAG | H13 | H14 | 112.7° | 119.5° |
CAI | NAH | CAG | CAE | 56.9° | 53.9° |
NAH | CAI | CAJ | CAF | 58.3° | 50.9° |
NAH | CAI | CAJ | H7 | 119.2° | 119.7° |
NAH | CAI | CAJ | H8 | 119.2° | 119.9° |
NAH | CAI | CAJ | H5 | 179.5° | 171.0° |
NAH | CAI | CAJ | H6 | 62.9° | 69.1° |
NAH | CAI | H7 | H8 | 122.4° | 120.6° |
CAI | NAH | CAO | H10 | 77.0° | 59.5° |
CAI | NAH | CAO | H11 | 163.1° | 60.5° |
CAI | NAH | CAO | H12 | 43.0° | 179.5° |
CAI | NAH | CAG | H13 | 65.2° | 66.3° |
CAI | NAH | CAG | H14 | 179.1° | 174.2° |
CAG | CAE | CAD | CAF | 168.9° | 180.0° |
CAG | CAE | CAD | CAC | 174.4° | 179.8° |
CAG | CAE | CAF | CAJ | 10.4° | 0.1° |
CAG | CAE | CAF | CAA | 175.2° | 179.9° |
CAE | CAG | NAH | H9 | 68.9° | 66.1° |
CAE | CAG | H13 | H14 | 112.7° | 119.4° |
CAG | CAE | CAD | H15 | 5.6° | 0.1° |
CAE | CAD | CAC | H15 | 180.0° | 179.7° |
CAE | CAD | CAC | OAL | 179.7° | 179.9° |
CAE | CAD | CAC | CAB | 3.9° | 0.5° |
CAD | CAE | CAF | CAJ | 179.9° | 179.9° |
CAD | CAE | CAF | CAA | 5.6° | 0.1° |
CAD | CAE | CAG | H13 | 75.4° | 78.2° |
CAD | CAE | CAG | H14 | 40.2° | 41.2° |
CAC | CAD | CAE | CAF | 5.5° | 0.2° |
CAD | CAC | OAL | CAB | 176.5° | 179.5° |
CAD | CAC | CAB | CAA | 2.4° | 0.6° |
CAD | CAC | CAB | OAK | 179.2° | 179.7° |
CAE | CAF | CAJ | CAA | 174.4° | 180.0° |
CAE | CAF | CAJ | CAI | 27.9° | 16.3° |
CAE | CAF | CAA | CAB | 4.0° | 0.0° |
CAE | CAF | CAA | H4 | 176.0° | 179.8° |
CAE | CAF | CAJ | H5 | 149.0° | 136.4° |
CAE | CAF | CAJ | H6 | 93.3° | 103.7° |
CAF | CAE | CAG | H13 | 94.0° | 101.8° |
CAF | CAE | CAG | H14 | 150.4° | 138.8° |
CAF | CAE | CAD | H15 | 174.5° | 179.9° |
OAL | CAC | CAB | CAA | 179.1° | 179.9° |
OAL | CAC | CAB | OAK | 2.5° | 0.2° |
OAL | CAC | CAD | H15 | 0.3° | 0.2° |
CAC | OAL | CAN | H16 | 180.0° | 179.9° |
CAC | OAL | CAN | H17 | 60.0° | 60.0° |
CAC | OAL | CAN | H18 | 60.0° | 60.0° |
CAC | CAB | CAA | CAF | 2.4° | 0.3° |
CAC | CAB | CAA | OAK | 178.2° | 179.7° |
CAC | CAB | OAK | CAM | 179.4° | 179.7° |
CAC | CAB | CAA | H4 | 177.6° | 179.8° |
CAB | CAC | CAD | H15 | 176.1° | 179.8° |
CAF | CAJ | CAI | H5 | 121.2° | 120.1° |
CAF | CAJ | CAI | H6 | 121.2° | 120.0° |
CAJ | CAF | CAA | CAB | 178.1° | 179.9° |
CAJ | CAF | CAA | H4 | 1.9° | 0.2° |
CAF | CAJ | H5 | H6 | 116.3° | 119.9° |
CAF | CAJ | CAI | H7 | 177.5° | 68.8° |
CAF | CAJ | CAI | H8 | 60.9° | 170.8° |
CAA | CAF | CAJ | CAI | 157.8° | 163.8° |
CAF | CAA | CAB | H4 | 180.0° | 179.9° |
CAF | CAA | CAB | OAK | 179.4° | 180.0° |
CAA | CAF | CAJ | H5 | 36.6° | 43.6° |
CAA | CAF | CAJ | H6 | 81.0° | 76.3° |
CAI | CAJ | H5 | H6 | 116.3° | 119.8° |
CAJ | CAI | H7 | H8 | 122.4° | 120.4° |
CAJ | CAI | NAH | H9 | 63.5° | 47.5° |
CAA | CAB | OAK | CAM | 2.2° | 0.0° |
CAB | OAK | CAM | H1 | 180.0° | 180.0° |
CAB | OAK | CAM | H2 | 60.0° | 60.0° |
CAB | OAK | CAM | H3 | 60.0° | 60.0° |
OAK | CAB | CAA | H4 | 0.6° | 0.1° |
OAK | CAM | H1 | H2 | 120.0° | 120.0° |
OAK | CAM | H1 | H3 | 120.0° | 120.0° |
OAK | CAM | H2 | H3 | 120.0° | 120.0° |
H1 | CAM | H2 | H3 | 119.9° | 120.0° |
H5 | CAJ | CAI | H7 | 61.3° | 51.4° |
H5 | CAJ | CAI | H8 | 60.3° | 69.0° |
H6 | CAJ | CAI | H7 | 56.3° | 171.2° |
H6 | CAJ | CAI | H8 | 177.9° | 50.8° |
H7 | CAI | NAH | H9 | 55.7° | 167.1° |
H8 | CAI | NAH | H9 | 177.3° | 72.4° |
H9 | NAH | CAO | H10 | 50.6° | 179.8° |
H9 | NAH | CAO | H11 | 69.4° | 59.8° |
H9 | NAH | CAO | H12 | 170.6° | 60.2° |
H9 | NAH | CAG | H13 | 169.0° | 173.6° |
H9 | NAH | CAG | H14 | 53.3° | 54.2° |
H10 | CAO | H11 | H12 | 120.0° | 120.0° |
H16 | CAN | H17 | H18 | 120.0° | 120.0° |