LAH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
O5 | C1 | sing | 1.43Å | 1.41Å | |
C1 | O1 | sing | 1.43Å | 1.37Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C3 | sing | 1.53Å | 1.42Å | |
C3 | C2 | sing | 1.53Å | 1.44Å | |
C3 | O3 | sing | 1.43Å | 1.49Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
O2 | PAQ | sing | 1.61Å | 1.58Å | |
PAQ | OAG | doub | 1.48Å | 1.51Å | |
PAQ | OAC | sing | 1.61Å | 1.49Å | |
PAQ | OAJ | sing | 1.61Å | 1.57Å | |
OAJ | CAL | sing | 1.43Å | 1.39Å | |
CAA | CAL | sing | 1.53Å | 1.53Å | |
CAL | CAB | sing | 1.53Å | 1.50Å | |
CAA | H1A | sing | 1.09Å | 1.10Å | |
CAA | H2A | sing | 1.09Å | 1.10Å | |
CAA | H3A | sing | 1.09Å | 1.10Å | |
CAL | H4A | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.09Å | 1.10Å | |
CAB | H6 | sing | 1.09Å | 1.10Å | |
CAB | H7 | sing | 1.09Å | 1.10Å | |
OAC | H8 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C5 | C4 | 112.0° | 109.4° |
C5 | O5 | C1 | 114.4° | 114.1° |
O5 | C5 | H51 | 108.8° | 109.5° |
O5 | C5 | H52 | 108.8° | 109.5° |
C5 | C4 | O4 | 107.0° | 109.5° |
C5 | C4 | C3 | 113.1° | 109.2° |
C5 | C4 | H4 | 107.6° | 109.6° |
C4 | C5 | H51 | 108.9° | 109.5° |
C4 | C5 | H52 | 108.8° | 109.5° |
O5 | C1 | O1 | 108.6° | 109.4° |
O5 | C1 | C2 | 112.0° | 109.4° |
O5 | C1 | H1 | 108.6° | 109.5° |
O1 | C1 | C2 | 111.1° | 109.6° |
O1 | C1 | H1 | 109.1° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C1 | C2 | C3 | 109.9° | 109.2° |
C1 | C2 | O2 | 107.8° | 109.5° |
C1 | C2 | H2 | 108.8° | 109.5° |
C2 | C1 | H1 | 107.3° | 109.4° |
O4 | C4 | C3 | 111.3° | 109.5° |
O4 | C4 | H4 | 108.7° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C3 | C2 | 116.2° | 109.0° |
C4 | C3 | O3 | 109.2° | 109.6° |
C4 | C3 | H3 | 107.0° | 109.6° |
C3 | C4 | H4 | 108.9° | 109.5° |
C2 | C3 | O3 | 111.0° | 109.5° |
C3 | C2 | O2 | 110.8° | 109.5° |
C3 | C2 | H2 | 109.8° | 109.5° |
C2 | C3 | H3 | 106.7° | 109.5° |
O3 | C3 | H3 | 106.1° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C2 | O2 | PAQ | 125.2° | 123.0° |
O2 | C2 | H2 | 109.7° | 109.5° |
O2 | PAQ | OAG | 110.8° | 109.5° |
O2 | PAQ | OAC | 106.4° | 109.5° |
O2 | PAQ | OAJ | 111.8° | 109.5° |
OAG | PAQ | OAC | 109.7° | 109.4° |
OAG | PAQ | OAJ | 108.6° | 109.4° |
OAC | PAQ | OAJ | 109.6° | 109.5° |
PAQ | OAC | H8 | 109.5° | 114.0° |
PAQ | OAJ | CAL | 121.8° | 123.0° |
OAJ | CAL | CAA | 113.8° | 109.5° |
OAJ | CAL | CAB | 114.1° | 109.5° |
OAJ | CAL | H4A | 104.7° | 109.5° |
CAA | CAL | CAB | 115.5° | 109.4° |
CAL | CAA | H1A | 109.5° | 109.5° |
CAL | CAA | H2A | 109.5° | 109.4° |
CAL | CAA | H3A | 109.5° | 109.5° |
CAA | CAL | H4A | 103.3° | 109.4° |
CAB | CAL | H4A | 103.6° | 109.5° |
CAL | CAB | H5 | 109.5° | 109.4° |
CAL | CAB | H6 | 109.5° | 109.5° |
CAL | CAB | H7 | 109.4° | 109.5° |
H1A | CAA | H2A | 109.5° | 109.5° |
H1A | CAA | H3A | 109.5° | 109.5° |
H2A | CAA | H3A | 109.4° | 109.5° |
H5 | CAB | H6 | 109.4° | 109.4° |
H5 | CAB | H7 | 109.4° | 109.4° |
H6 | CAB | H7 | 109.5° | 109.5° |
H51 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C5 | C4 | H51 | 120.4° | 120.0° |
O5 | C5 | C4 | H52 | 120.4° | 120.0° |
C5 | O5 | C1 | O1 | 178.9° | 178.8° |
C5 | O5 | C1 | C2 | 55.7° | 61.1° |
O5 | C5 | C4 | O4 | 77.6° | 62.3° |
O5 | C5 | C4 | C3 | 45.3° | 57.6° |
O5 | C5 | C4 | H4 | 165.8° | 177.6° |
O5 | C5 | H51 | H52 | 118.9° | 120.0° |
C5 | O5 | C1 | H1 | 62.6° | 58.9° |
C4 | C5 | O5 | C1 | 51.3° | 61.1° |
C5 | C4 | O4 | C3 | 124.1° | 119.7° |
C5 | C4 | O4 | H4 | 116.0° | 120.2° |
C5 | C4 | C3 | H4 | 119.7° | 120.0° |
C5 | C4 | C3 | C2 | 46.5° | 57.0° |
C5 | C4 | C3 | O3 | 173.1° | 176.9° |
C5 | C4 | C3 | H3 | 72.5° | 62.9° |
C5 | C4 | O4 | HO4 | 180.0° | 60.4° |
C4 | C5 | H51 | H52 | 118.9° | 120.0° |
O5 | C1 | O1 | C2 | 123.7° | 120.0° |
O5 | C1 | O1 | H1 | 118.3° | 120.0° |
O5 | C1 | C2 | H1 | 119.1° | 119.9° |
O5 | C1 | C2 | C3 | 52.4° | 57.5° |
O5 | C1 | C2 | O2 | 173.3° | 177.5° |
O5 | C1 | C2 | H2 | 67.8° | 62.4° |
C1 | O5 | C5 | H51 | 171.7° | 58.8° |
C1 | O5 | C5 | H52 | 69.1° | 178.9° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
O1 | C1 | C2 | H1 | 119.2° | 120.1° |
O1 | C1 | C2 | C3 | 174.1° | 177.5° |
O1 | C1 | C2 | O2 | 65.0° | 62.5° |
O1 | C1 | C2 | H2 | 53.9° | 57.6° |
C1 | C2 | C3 | C4 | 49.3° | 56.9° |
C1 | C2 | C3 | O2 | 119.0° | 120.0° |
C1 | C2 | C3 | H2 | 119.7° | 119.9° |
C1 | C2 | C3 | O3 | 174.9° | 176.8° |
C1 | C2 | O2 | H2 | 118.3° | 120.1° |
C1 | C2 | O2 | PAQ | 125.8° | 120.1° |
C1 | C2 | C3 | H3 | 69.8° | 63.0° |
C2 | C1 | O1 | HO1 | 56.3° | 180.0° |
O4 | C4 | C3 | H4 | 119.8° | 120.1° |
O4 | C4 | C3 | C2 | 74.0° | 62.9° |
O4 | C4 | C3 | O3 | 52.5° | 56.9° |
O4 | C4 | C3 | H3 | 167.0° | 177.2° |
O4 | C4 | C5 | H51 | 42.8° | 177.7° |
O4 | C4 | C5 | H52 | 162.0° | 57.7° |
C4 | C3 | C2 | O3 | 125.6° | 119.9° |
C4 | C3 | C2 | H3 | 119.1° | 120.0° |
C4 | C3 | O3 | H3 | 115.0° | 120.3° |
C4 | C3 | C2 | O2 | 168.3° | 176.9° |
C4 | C3 | C2 | H2 | 70.4° | 63.0° |
C4 | C3 | O3 | HO3 | 180.0° | 60.5° |
C3 | C4 | O4 | HO4 | 55.9° | 179.9° |
C3 | C4 | C5 | H51 | 165.7° | 62.4° |
C3 | C4 | C5 | H52 | 75.0° | 177.6° |
C2 | C3 | O3 | H3 | 115.5° | 120.1° |
C3 | C2 | O2 | H2 | 121.3° | 120.1° |
C3 | C2 | O2 | PAQ | 113.9° | 120.1° |
C2 | C3 | O3 | HO3 | 50.5° | 180.0° |
C2 | C3 | C4 | H4 | 166.2° | 176.9° |
C3 | C2 | C1 | H1 | 66.7° | 62.4° |
O3 | C3 | C2 | O2 | 66.0° | 63.2° |
O3 | C3 | C2 | H2 | 55.3° | 56.9° |
O3 | C3 | C4 | H4 | 67.2° | 63.2° |
C2 | O2 | PAQ | OAG | 37.0° | 55.0° |
C2 | O2 | PAQ | OAC | 156.2° | 64.9° |
C2 | O2 | PAQ | OAJ | 84.1° | 175.0° |
O2 | C2 | C3 | H3 | 49.2° | 56.9° |
O2 | C2 | C1 | H1 | 54.2° | 57.5° |
O2 | PAQ | OAG | OAC | 117.2° | 120.0° |
O2 | PAQ | OAG | OAJ | 123.1° | 120.0° |
O2 | PAQ | OAC | OAJ | 121.0° | 120.1° |
O2 | PAQ | OAJ | CAL | 86.2° | 175.0° |
O2 | PAQ | OAC | H8 | 119.9° | 60.1° |
PAQ | O2 | C2 | H2 | 7.4° | 0.0° |
OAG | PAQ | OAC | OAJ | 119.1° | 119.9° |
OAG | PAQ | OAJ | CAL | 151.3° | 55.0° |
OAG | PAQ | OAC | H8 | 0.0° | 179.9° |
OAC | PAQ | OAJ | CAL | 31.5° | 65.0° |
PAQ | OAJ | CAL | CAA | 114.8° | 120.0° |
PAQ | OAJ | CAL | CAB | 109.8° | 120.0° |
PAQ | OAJ | CAL | H4A | 2.7° | 0.0° |
OAJ | PAQ | OAC | H8 | 119.1° | 60.0° |
OAJ | CAL | CAA | CAB | 134.8° | 120.0° |
OAJ | CAL | CAA | H4A | 112.9° | 120.0° |
OAJ | CAL | CAB | H4A | 113.1° | 120.1° |
OAJ | CAL | CAA | H1A | 180.0° | 180.0° |
OAJ | CAL | CAA | H2A | 60.0° | 60.0° |
OAJ | CAL | CAA | H3A | 60.0° | 60.0° |
OAJ | CAL | CAB | H5 | 180.0° | 60.0° |
OAJ | CAL | CAB | H6 | 60.0° | 180.0° |
OAJ | CAL | CAB | H7 | 60.0° | 59.9° |
CAA | CAL | CAB | H4A | 112.2° | 119.9° |
CAL | CAA | H1A | H2A | 120.0° | 120.0° |
CAL | CAA | H1A | H3A | 120.0° | 120.0° |
CAL | CAA | H2A | H3A | 120.0° | 120.0° |
CAA | CAL | CAB | H5 | 45.3° | 180.0° |
CAA | CAL | CAB | H6 | 165.3° | 60.1° |
CAA | CAL | CAB | H7 | 74.6° | 60.1° |
CAB | CAL | CAA | H1A | 45.2° | 60.0° |
CAB | CAL | CAA | H2A | 74.8° | 180.0° |
CAB | CAL | CAA | H3A | 165.2° | 60.0° |
CAL | CAB | H5 | H6 | 120.0° | 120.0° |
CAL | CAB | H5 | H7 | 120.0° | 120.0° |
CAL | CAB | H6 | H7 | 120.0° | 120.1° |
H1A | CAA | H2A | H3A | 120.0° | 120.0° |
H1A | CAA | CAL | H4A | 67.2° | 60.0° |
H2A | CAA | CAL | H4A | 172.8° | 60.0° |
H3A | CAA | CAL | H4A | 52.9° | 180.0° |
H4A | CAL | CAB | H5 | 66.9° | 60.0° |
H4A | CAL | CAB | H6 | 53.1° | 59.9° |
H4A | CAL | CAB | H7 | 173.2° | 180.0° |
H5 | CAB | H6 | H7 | 120.0° | 120.0° |
H2 | C2 | C3 | H3 | 170.5° | 177.1° |
H2 | C2 | C1 | H1 | 173.0° | 177.7° |
H3 | C3 | O3 | HO3 | 65.0° | 59.8° |
H3 | C3 | C4 | H4 | 47.2° | 57.1° |
H4 | C4 | O4 | HO4 | 64.0° | 59.8° |
H4 | C4 | C5 | H51 | 73.9° | 57.6° |
H4 | C4 | C5 | H52 | 45.4° | 62.5° |
H1 | C1 | O1 | HO1 | 61.8° | 60.0° |