PRP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.54Å | 1.51Å | |
C1 | O1 | sing | 1.43Å | 1.46Å | |
C1 | O4 | sing | 1.44Å | 1.38Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.54Å | 1.50Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.54Å | 1.49Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.45Å | 1.45Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | O5 | sing | 1.43Å | 1.41Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
O1 | PA | sing | 1.61Å | 1.64Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O5 | P | sing | 1.61Å | 1.61Å | |
P | O1P | doub | 1.48Å | 1.48Å | |
P | O2P | sing | 1.61Å | 1.49Å | |
P | O3P | sing | 1.61Å | 1.50Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
PA | O1A | doub | 1.48Å | 1.51Å | |
PA | O2A | sing | 1.61Å | 1.48Å | |
PA | O3A | sing | 1.61Å | 1.52Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O3A | PB | sing | 1.61Å | 1.52Å | |
PB | O1B | doub | 1.48Å | 1.44Å | |
PB | O2B | sing | 1.61Å | 1.45Å | |
PB | O3B | sing | 1.61Å | 1.48Å | |
O2B | HOB2 | sing | 0.97Å | 0.95Å | |
O3B | HOB3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 113.6° | 110.4° |
C2 | C1 | O4 | 105.8° | 104.8° |
C2 | C1 | H1 | 108.4° | 110.3° |
C1 | C2 | C3 | 101.0° | 104.1° |
C1 | C2 | O2 | 112.6° | 110.6° |
C1 | C2 | H2 | 112.4° | 110.5° |
O1 | C1 | O4 | 106.7° | 110.5° |
O1 | C1 | H1 | 107.5° | 110.3° |
C1 | O1 | PA | 127.5° | 106.8° |
O4 | C1 | H1 | 115.1° | 110.3° |
C1 | O4 | C4 | 108.6° | 105.4° |
C3 | C2 | O2 | 107.7° | 110.5° |
C3 | C2 | H2 | 117.0° | 110.5° |
C2 | C3 | C4 | 102.5° | 104.2° |
C2 | C3 | O3 | 114.9° | 110.5° |
C2 | C3 | H3 | 109.4° | 110.5° |
O2 | C2 | H2 | 106.2° | 110.4° |
C2 | O2 | HO2 | 112.6° | 106.9° |
C4 | C3 | O3 | 105.5° | 110.5° |
C4 | C3 | H3 | 118.2° | 110.5° |
C3 | C4 | C5 | 105.3° | 110.7° |
C3 | C4 | O4 | 106.9° | 104.7° |
C3 | C4 | H4 | 114.3° | 110.3° |
O3 | C3 | H3 | 106.6° | 110.4° |
C3 | O3 | HO3 | 114.9° | 106.8° |
C5 | C4 | O4 | 111.0° | 110.4° |
C5 | C4 | H4 | 110.5° | 110.4° |
C4 | C5 | O5 | 110.5° | 109.5° |
C4 | C5 | H51 | 111.9° | 109.4° |
C4 | C5 | H52 | 111.8° | 109.5° |
O4 | C4 | H4 | 108.9° | 110.3° |
O5 | C5 | H51 | 111.9° | 109.4° |
O5 | C5 | H52 | 111.9° | 109.5° |
C5 | O5 | P | 123.6° | 106.8° |
H51 | C5 | H52 | 98.5° | 109.5° |
O1 | PA | O1A | 102.4° | 109.5° |
O1 | PA | O2A | 107.8° | 109.5° |
O1 | PA | O3A | 102.0° | 109.5° |
O5 | P | O1P | 107.8° | 109.5° |
O5 | P | O2P | 109.6° | 109.5° |
O5 | P | O3P | 96.5° | 109.5° |
O1P | P | O2P | 111.6° | 109.5° |
O1P | P | O3P | 116.0° | 109.4° |
O2P | P | O3P | 114.0° | 109.5° |
P | O2P | HOP2 | 109.5° | 106.8° |
P | O3P | HOP3 | 96.5° | 106.8° |
O1A | PA | O2A | 114.1° | 109.5° |
O1A | PA | O3A | 114.4° | 109.5° |
O2A | PA | O3A | 114.4° | 109.4° |
PA | O2A | HOA2 | 107.8° | 106.8° |
PA | O3A | PB | 129.6° | 106.8° |
O3A | PB | O1B | 111.6° | 109.4° |
O3A | PB | O2B | 109.8° | 109.5° |
O3A | PB | O3B | 112.7° | 109.5° |
O1B | PB | O2B | 109.0° | 109.5° |
O1B | PB | O3B | 108.8° | 109.5° |
O2B | PB | O3B | 104.7° | 109.5° |
PB | O2B | HOB2 | 109.8° | 106.8° |
PB | O3B | HOB3 | 112.7° | 106.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O4 | 116.1° | 115.5° |
C2 | C1 | O1 | H1 | 119.9° | 122.2° |
C2 | C1 | O4 | H1 | 119.6° | 118.8° |
C1 | C2 | C3 | O2 | 118.2° | 118.8° |
C1 | C2 | C3 | H2 | 122.3° | 118.7° |
C1 | C2 | O2 | H2 | 123.4° | 122.7° |
C1 | C2 | C3 | C4 | 35.4° | 0.1° |
C1 | C2 | C3 | O3 | 78.4° | 118.6° |
C1 | C2 | C3 | H3 | 161.7° | 118.8° |
C2 | C1 | O4 | C4 | 25.0° | 40.4° |
C2 | C1 | O1 | PA | 152.0° | 150.0° |
C1 | C2 | O2 | HO2 | 179.9° | 65.3° |
O1 | C1 | O4 | H1 | 119.1° | 122.2° |
O1 | C1 | C2 | C3 | 78.7° | 95.0° |
O1 | C1 | C2 | O2 | 36.0° | 23.7° |
O1 | C1 | C2 | H2 | 155.9° | 146.4° |
O1 | C1 | O4 | C4 | 96.3° | 78.5° |
C1 | O1 | PA | O1A | 94.8° | 60.0° |
C1 | O1 | PA | O2A | 25.8° | 60.0° |
C1 | O1 | PA | O3A | 146.6° | 179.9° |
O4 | C1 | C2 | C3 | 38.0° | 24.0° |
O4 | C1 | C2 | O2 | 152.7° | 142.7° |
O4 | C1 | C2 | H2 | 87.4° | 94.6° |
C1 | O4 | C4 | C3 | 1.6° | 40.3° |
C1 | O4 | C4 | C5 | 115.9° | 159.5° |
C1 | O4 | C4 | H4 | 122.3° | 78.3° |
O4 | C1 | O1 | PA | 91.9° | 94.5° |
H1 | C1 | C2 | C3 | 162.0° | 142.8° |
H1 | C1 | C2 | O2 | 83.4° | 98.5° |
H1 | C1 | C2 | H2 | 36.5° | 24.2° |
H1 | C1 | O4 | C4 | 144.6° | 159.2° |
H1 | C1 | O1 | PA | 32.1° | 27.7° |
C3 | C2 | O2 | H2 | 126.1° | 122.6° |
C2 | C3 | C4 | O3 | 120.6° | 118.7° |
C2 | C3 | C4 | H3 | 120.3° | 118.7° |
C2 | C3 | O3 | H3 | 121.3° | 122.6° |
C2 | C3 | C4 | C5 | 95.9° | 142.7° |
C2 | C3 | C4 | O4 | 22.2° | 23.8° |
C2 | C3 | C4 | H4 | 142.7° | 94.9° |
C3 | C2 | O2 | HO2 | 69.6° | 180.0° |
C2 | C3 | O3 | HO3 | 180.0° | 63.4° |
O2 | C2 | C3 | C4 | 153.7° | 118.9° |
O2 | C2 | C3 | O3 | 39.8° | 0.1° |
O2 | C2 | C3 | H3 | 80.0° | 122.4° |
H2 | C2 | C3 | C4 | 86.9° | 118.5° |
H2 | C2 | C3 | O3 | 159.2° | 122.7° |
H2 | C2 | C3 | H3 | 39.4° | 0.1° |
H2 | C2 | O2 | HO2 | 56.5° | 57.4° |
C4 | C3 | O3 | H3 | 126.5° | 122.6° |
C3 | C4 | C5 | O4 | 115.3° | 115.5° |
C3 | C4 | C5 | H4 | 123.8° | 122.4° |
C3 | C4 | O4 | H4 | 123.9° | 118.6° |
C3 | C4 | C5 | O5 | 170.8° | 176.9° |
C3 | C4 | C5 | H51 | 63.8° | 63.2° |
C3 | C4 | C5 | H52 | 45.6° | 56.9° |
C4 | C3 | O3 | HO3 | 67.9° | 178.2° |
O3 | C3 | C4 | C5 | 143.5° | 98.6° |
O3 | C3 | C4 | O4 | 98.4° | 142.5° |
O3 | C3 | C4 | H4 | 22.1° | 23.9° |
H3 | C3 | C4 | C5 | 24.4° | 24.0° |
H3 | C3 | C4 | O4 | 142.5° | 95.0° |
H3 | C3 | C4 | H4 | 97.0° | 146.4° |
H3 | C3 | O3 | HO3 | 58.7° | 59.3° |
C5 | C4 | O4 | H4 | 121.8° | 122.2° |
C4 | C5 | O5 | H51 | 125.3° | 119.9° |
C4 | C5 | O5 | H52 | 125.3° | 120.0° |
C4 | C5 | H51 | H52 | 117.7° | 120.0° |
C4 | C5 | O5 | P | 106.7° | 180.0° |
O4 | C4 | C5 | O5 | 55.5° | 61.5° |
O4 | C4 | C5 | H51 | 179.2° | 178.6° |
O4 | C4 | C5 | H52 | 69.8° | 58.6° |
H4 | C4 | C5 | O5 | 65.3° | 60.7° |
H4 | C4 | C5 | H51 | 60.0° | 59.2° |
H4 | C4 | C5 | H52 | 169.4° | 179.2° |
O5 | C5 | H51 | H52 | 117.7° | 120.0° |
C5 | O5 | P | O1P | 44.1° | 59.9° |
C5 | O5 | P | O2P | 77.6° | 180.0° |
C5 | O5 | P | O3P | 164.1° | 60.0° |
H51 | C5 | O5 | P | 18.6° | 60.0° |
H52 | C5 | O5 | P | 128.1° | 60.0° |
O1 | PA | O1A | O2A | 116.2° | 120.0° |
O1 | PA | O1A | O3A | 109.5° | 120.1° |
O1 | PA | O2A | O3A | 112.7° | 120.0° |
O1 | PA | O2A | HOA2 | 180.0° | 60.0° |
O1 | PA | O3A | PB | 69.2° | 180.0° |
O5 | P | O1P | O2P | 120.4° | 120.1° |
O5 | P | O1P | O3P | 106.8° | 120.0° |
O5 | P | O2P | O3P | 106.8° | 120.0° |
O5 | P | O2P | HOP2 | 180.0° | 180.0° |
O5 | P | O3P | HOP3 | 180.0° | 60.0° |
O1P | P | O2P | O3P | 133.9° | 119.9° |
O1P | P | O2P | HOP2 | 60.7° | 60.0° |
O1P | P | O3P | HOP3 | 66.5° | 180.0° |
O2P | P | O3P | HOP3 | 65.2° | 60.0° |
O3P | P | O2P | HOP2 | 73.2° | 60.0° |
O1A | PA | O2A | O3A | 134.3° | 120.1° |
O1A | PA | O2A | HOA2 | 67.0° | 180.0° |
O1A | PA | O3A | PB | 178.9° | 59.9° |
O2A | PA | O3A | PB | 46.9° | 60.1° |
O3A | PA | O2A | HOA2 | 67.3° | 60.0° |
PA | O3A | PB | O1B | 34.0° | 60.1° |
PA | O3A | PB | O2B | 154.9° | 179.9° |
PA | O3A | PB | O3B | 88.8° | 59.9° |
O3A | PB | O1B | O2B | 121.4° | 120.0° |
O3A | PB | O1B | O3B | 125.0° | 120.0° |
O3A | PB | O2B | O3B | 121.3° | 120.0° |
O3A | PB | O2B | HOB2 | 180.0° | 180.0° |
O3A | PB | O3B | HOB3 | 180.0° | 60.0° |
O1B | PB | O2B | O3B | 116.3° | 120.1° |
O1B | PB | O2B | HOB2 | 57.5° | 60.0° |
O1B | PB | O3B | HOB3 | 55.7° | 179.9° |
O2B | PB | O3B | HOB3 | 60.7° | 60.0° |
O3B | PB | O2B | HOB2 | 58.8° | 60.0° |