FH2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAG | CAD | sing | 1.43Å | 1.49Å | |
OAF | CAC | sing | 1.43Å | 1.41Å | |
CAC | CAD | sing | 1.53Å | 1.58Å | |
CAC | CAI | sing | 1.50Å | 1.44Å | |
CAD | CAE | sing | 1.53Å | 1.52Å | |
CAI | CAJ | sing | 1.51Å | 1.44Å | |
CAI | CAB | doub | 1.30Å | 1.38Å | |
CAJ | OAK | sing | 1.43Å | 1.52Å | |
CAE | FAH | sing | 1.40Å | 1.59Å | |
CAE | CAA | sing | 1.53Å | 1.55Å | |
CAB | CAA | sing | 1.50Å | 1.43Å | |
CAA | O1 | sing | 1.43Å | 1.48Å | |
OAF | H1 | sing | 0.97Å | 0.95Å | |
CAC | H2 | sing | 1.09Å | 1.10Å | |
CAD | H3 | sing | 1.09Å | 1.10Å | |
OAG | H4 | sing | 0.97Å | 0.95Å | |
CAE | H5 | sing | 1.09Å | 1.10Å | |
CAA | H6 | sing | 1.09Å | 1.10Å | |
CAB | H7 | sing | 1.08Å | 1.08Å | |
CAJ | H8 | sing | 1.09Å | 1.10Å | |
CAJ | H9 | sing | 1.09Å | 1.10Å | |
OAK | H10 | sing | 0.97Å | 0.95Å | |
O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAG | CAD | CAC | 114.5° | 109.6° |
OAG | CAD | CAE | 111.8° | 109.7° |
OAG | CAD | H3 | 108.3° | 109.8° |
CAD | OAG | H4 | 109.5° | 114.0° |
OAF | CAC | CAD | 103.7° | 109.4° |
OAF | CAC | CAI | 111.5° | 109.3° |
CAC | OAF | H1 | 109.5° | 114.1° |
OAF | CAC | H2 | 109.9° | 109.3° |
CAD | CAC | CAI | 114.3° | 110.2° |
CAC | CAD | CAE | 106.7° | 108.5° |
CAD | CAC | H2 | 107.7° | 109.4° |
CAC | CAD | H3 | 107.3° | 109.6° |
CAC | CAI | CAJ | 122.2° | 118.0° |
CAC | CAI | CAB | 121.4° | 124.1° |
CAI | CAC | H2 | 109.4° | 109.2° |
CAD | CAE | FAH | 111.0° | 109.6° |
CAD | CAE | CAA | 109.3° | 108.4° |
CAE | CAD | H3 | 108.0° | 109.7° |
CAD | CAE | H5 | 108.9° | 109.7° |
CAJ | CAI | CAB | 116.3° | 117.9° |
CAI | CAJ | OAK | 118.2° | 109.5° |
CAI | CAJ | H8 | 107.3° | 109.5° |
CAI | CAJ | H9 | 107.3° | 109.5° |
CAI | CAB | CAA | 124.6° | 124.0° |
CAI | CAB | H7 | 117.7° | 118.0° |
OAK | CAJ | H8 | 107.2° | 109.5° |
OAK | CAJ | H9 | 107.2° | 109.4° |
CAJ | OAK | H10 | 109.5° | 114.0° |
FAH | CAE | CAA | 111.2° | 109.6° |
FAH | CAE | H5 | 108.0° | 109.6° |
CAE | CAA | CAB | 109.2° | 110.2° |
CAE | CAA | O1 | 115.6° | 109.3° |
CAA | CAE | H5 | 108.5° | 109.8° |
CAE | CAA | H6 | 106.2° | 109.4° |
CAB | CAA | O1 | 110.6° | 109.4° |
CAB | CAA | H6 | 107.7° | 109.2° |
CAA | CAB | H7 | 117.7° | 118.0° |
O1 | CAA | H6 | 107.1° | 109.4° |
CAA | O1 | H11 | 109.5° | 113.9° |
H8 | CAJ | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAG | CAD | CAC | OAF | 46.8° | 50.0° |
OAG | CAD | CAC | CAE | 124.3° | 119.7° |
OAG | CAD | CAC | H3 | 120.2° | 120.6° |
OAG | CAD | CAC | CAI | 168.4° | 70.3° |
OAG | CAD | CAE | H3 | 119.0° | 120.7° |
OAG | CAD | CAE | FAH | 47.0° | 171.9° |
OAG | CAD | CAE | CAA | 169.9° | 52.2° |
OAG | CAD | CAC | H2 | 69.7° | 169.7° |
OAG | CAD | CAE | H5 | 71.8° | 67.7° |
OAF | CAC | CAD | CAI | 121.7° | 120.2° |
OAF | CAC | CAD | H2 | 116.5° | 119.7° |
OAF | CAC | CAI | H2 | 121.8° | 119.6° |
OAF | CAC | CAD | CAE | 77.5° | 169.6° |
OAF | CAC | CAI | CAJ | 76.2° | 42.6° |
OAF | CAC | CAI | CAB | 100.5° | 137.4° |
OAF | CAC | CAD | H3 | 166.9° | 70.6° |
CAD | CAC | CAI | H2 | 120.9° | 120.1° |
CAC | CAD | CAE | H3 | 115.0° | 119.7° |
CAD | CAC | CAI | CAJ | 166.5° | 162.9° |
CAD | CAC | CAI | CAB | 16.8° | 17.1° |
CAC | CAD | CAE | FAH | 173.0° | 52.3° |
CAC | CAD | CAE | CAA | 64.1° | 67.4° |
CAD | CAC | OAF | H1 | 180.0° | 180.0° |
CAC | CAD | OAG | H4 | 180.0° | 180.0° |
CAC | CAD | CAE | H5 | 54.2° | 172.7° |
CAI | CAC | CAD | CAE | 44.1° | 49.4° |
CAC | CAI | CAJ | CAB | 176.8° | 180.0° |
CAC | CAI | CAJ | OAK | 175.9° | 180.0° |
CAC | CAI | CAB | CAA | 9.1° | 0.4° |
CAI | CAC | OAF | H1 | 56.5° | 59.3° |
CAI | CAC | CAD | H3 | 71.4° | 169.2° |
CAC | CAI | CAB | H7 | 170.9° | 179.6° |
CAC | CAI | CAJ | H8 | 54.6° | 60.0° |
CAC | CAI | CAJ | H9 | 62.9° | 60.0° |
CAD | CAE | FAH | CAA | 121.8° | 118.9° |
CAD | CAE | FAH | H5 | 119.3° | 120.4° |
CAD | CAE | CAA | H5 | 118.6° | 119.8° |
CAD | CAE | CAA | CAB | 56.4° | 49.4° |
CAD | CAE | CAA | O1 | 69.0° | 169.6° |
CAE | CAD | CAC | H2 | 166.0° | 70.6° |
CAE | CAD | OAG | H4 | 58.5° | 61.1° |
CAD | CAE | CAA | H6 | 172.4° | 70.6° |
CAI | CAJ | OAK | H8 | 121.3° | 120.0° |
CAI | CAJ | OAK | H9 | 121.3° | 120.0° |
CAJ | CAI | CAB | CAA | 174.1° | 179.6° |
CAJ | CAI | CAC | H2 | 45.6° | 76.9° |
CAJ | CAI | CAB | H7 | 5.9° | 0.4° |
CAI | CAJ | H8 | H9 | 116.1° | 120.0° |
CAI | CAJ | OAK | H10 | 180.0° | 180.0° |
CAB | CAI | CAJ | OAK | 7.3° | 0.0° |
CAI | CAB | CAA | CAE | 28.1° | 17.1° |
CAI | CAB | CAA | H7 | 180.0° | 180.0° |
CAI | CAB | CAA | O1 | 100.1° | 137.3° |
CAB | CAI | CAC | H2 | 137.7° | 103.1° |
CAI | CAB | CAA | H6 | 143.1° | 103.0° |
CAB | CAI | CAJ | H8 | 128.6° | 120.0° |
CAB | CAI | CAJ | H9 | 113.9° | 120.0° |
OAK | CAJ | H8 | H9 | 116.0° | 120.0° |
FAH | CAE | CAA | H5 | 118.6° | 120.5° |
FAH | CAE | CAA | CAB | 179.2° | 70.2° |
FAH | CAE | CAA | O1 | 53.8° | 50.0° |
FAH | CAE | CAD | H3 | 72.0° | 67.4° |
FAH | CAE | CAA | H6 | 64.8° | 169.7° |
CAE | CAA | CAB | O1 | 128.3° | 120.2° |
CAE | CAA | CAB | H6 | 115.0° | 120.2° |
CAE | CAA | O1 | H6 | 118.1° | 119.7° |
CAA | CAE | CAD | H3 | 50.9° | 172.9° |
CAE | CAA | CAB | H7 | 151.9° | 162.9° |
CAE | CAA | O1 | H11 | 180.0° | 180.0° |
CAB | CAA | O1 | H6 | 117.1° | 119.6° |
CAB | CAA | CAE | H5 | 62.2° | 169.2° |
CAB | CAA | O1 | H11 | 55.3° | 59.3° |
O1 | CAA | CAE | H5 | 172.4° | 70.6° |
O1 | CAA | CAB | H7 | 79.9° | 42.7° |
H1 | OAF | CAC | H2 | 65.0° | 60.2° |
H2 | CAC | CAD | H3 | 50.5° | 49.1° |
H3 | CAD | OAG | H4 | 60.4° | 59.5° |
H3 | CAD | CAE | H5 | 169.2° | 53.0° |
H5 | CAE | CAA | H6 | 53.8° | 49.2° |
H6 | CAA | CAB | H7 | 36.9° | 77.0° |
H6 | CAA | O1 | H11 | 61.8° | 60.3° |
H8 | CAJ | OAK | H10 | 58.8° | 60.0° |
H9 | CAJ | OAK | H10 | 58.7° | 60.0° |