PEQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.25Å | |
C1 | O2' | sing | 1.34Å | 1.26Å | |
C1 | C2 | sing | 1.51Å | 1.53Å | |
O2' | HO2 | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H33 | sing | 1.09Å | 1.10Å | |
O2 | P | sing | 1.61Å | 1.63Å | |
P | O1P | doub | 1.48Å | 1.52Å | |
P | O2P | sing | 1.61Å | 1.52Å | |
P | O3P | sing | 1.61Å | 1.50Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O2' | 124.4° | 120.0° |
O1 | C1 | C2 | 118.1° | 120.0° |
O2' | C1 | C2 | 117.3° | 120.0° |
C1 | O2' | HO2 | 109.5° | 120.0° |
C1 | C2 | C3 | 107.0° | 109.5° |
C1 | C2 | O2 | 110.9° | 109.4° |
C1 | C2 | H21 | 110.0° | 109.5° |
C3 | C2 | O2 | 109.1° | 109.5° |
C3 | C2 | H21 | 111.8° | 109.4° |
C2 | C3 | H31 | 109.4° | 109.4° |
C2 | C3 | H32 | 109.4° | 109.5° |
C2 | C3 | H33 | 109.5° | 109.4° |
O2 | C2 | H21 | 108.0° | 109.5° |
C2 | O2 | P | 118.5° | 106.8° |
H31 | C3 | H32 | 109.5° | 109.5° |
H31 | C3 | H33 | 109.5° | 109.5° |
H32 | C3 | H33 | 109.5° | 109.5° |
O2 | P | O1P | 107.9° | 109.5° |
O2 | P | O2P | 101.5° | 109.5° |
O2 | P | O3P | 108.5° | 109.4° |
O1P | P | O2P | 111.8° | 109.5° |
O1P | P | O3P | 112.5° | 109.5° |
O2P | P | O3P | 113.9° | 109.5° |
P | O2P | HOP2 | 109.5° | 106.8° |
P | O3P | HOP3 | 109.5° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O2' | C2 | 175.1° | 180.0° |
O1 | C1 | O2' | HO2 | 0.0° | 0.1° |
O1 | C1 | C2 | C3 | 165.9° | 115.0° |
O1 | C1 | C2 | O2 | 47.0° | 5.0° |
O1 | C1 | C2 | H21 | 72.4° | 125.0° |
O2' | C1 | C2 | C3 | 9.6° | 65.0° |
O2' | C1 | C2 | O2 | 128.5° | 175.0° |
O2' | C1 | C2 | H21 | 112.1° | 55.0° |
C2 | C1 | O2' | HO2 | 175.1° | 180.0° |
C1 | C2 | C3 | O2 | 120.1° | 120.0° |
C1 | C2 | C3 | H21 | 120.5° | 120.0° |
C1 | C2 | O2 | H21 | 120.6° | 120.0° |
C1 | C2 | C3 | H31 | 65.4° | 60.0° |
C1 | C2 | C3 | H32 | 174.6° | 60.0° |
C1 | C2 | C3 | H33 | 54.6° | 180.0° |
C1 | C2 | O2 | P | 48.9° | 120.0° |
C3 | C2 | O2 | H21 | 121.7° | 120.0° |
C2 | C3 | H31 | H32 | 120.0° | 120.0° |
C2 | C3 | H31 | H33 | 120.0° | 120.0° |
C2 | C3 | H32 | H33 | 120.0° | 120.0° |
C3 | C2 | O2 | P | 68.8° | 120.0° |
O2 | C2 | C3 | H31 | 54.7° | 60.0° |
O2 | C2 | C3 | H32 | 65.3° | 180.0° |
O2 | C2 | C3 | H33 | 174.7° | 60.0° |
C2 | O2 | P | O1P | 52.1° | 55.0° |
C2 | O2 | P | O2P | 169.7° | 65.0° |
C2 | O2 | P | O3P | 70.0° | 175.0° |
H21 | C2 | C3 | H31 | 174.0° | 180.0° |
H21 | C2 | C3 | H32 | 54.0° | 60.0° |
H21 | C2 | C3 | H33 | 66.0° | 60.0° |
H21 | C2 | O2 | P | 169.5° | 0.0° |
H31 | C3 | H32 | H33 | 120.0° | 120.1° |
O2 | P | O1P | O2P | 110.8° | 120.0° |
O2 | P | O1P | O3P | 119.6° | 120.0° |
O2 | P | O2P | O3P | 116.4° | 120.0° |
O2 | P | O2P | HOP2 | 110.7° | 60.0° |
O2 | P | O3P | HOP3 | 15.4° | 180.0° |
O1P | P | O2P | O3P | 128.9° | 120.0° |
O1P | P | O2P | HOP2 | 4.1° | 180.0° |
O1P | P | O3P | HOP3 | 103.8° | 60.0° |
O2P | P | O3P | HOP3 | 127.7° | 60.0° |
O3P | P | O2P | HOP2 | 133.0° | 60.0° |