HG3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.43Å | |
C1 | O1A | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
O | C2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C3 | O4P | sing | 1.43Å | 1.43Å | |
O4P | P | sing | 1.61Å | 1.61Å | |
P | O2P | doub | 1.48Å | 1.51Å | |
P | O3P | sing | 1.61Å | 1.51Å | |
P | O1P | sing | 1.61Å | 1.51Å | |
O3P | H1 | sing | 0.97Å | 0.95Å | |
O1P | H2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
O | H6 | sing | 0.97Å | 0.95Å | |
O1A | H7 | sing | 0.97Å | 0.95Å | |
O1 | H8 | sing | 0.97Å | 0.95Å | |
C1 | H9 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O1A | 110.1° | 109.5° |
O1 | C1 | C2 | 108.7° | 109.4° |
C1 | O1 | H8 | 109.5° | 114.0° |
O1 | C1 | H9 | 109.9° | 109.5° |
O1A | C1 | C2 | 109.5° | 109.5° |
C1 | O1A | H7 | 109.5° | 114.0° |
O1A | C1 | H9 | 109.9° | 109.4° |
C1 | C2 | O | 108.5° | 109.5° |
C1 | C2 | C3 | 111.8° | 109.4° |
C1 | C2 | H5 | 108.5° | 109.4° |
C2 | C1 | H9 | 108.7° | 109.5° |
O | C2 | C3 | 109.7° | 109.5° |
O | C2 | H5 | 109.8° | 109.5° |
C2 | O | H6 | 109.5° | 114.0° |
C2 | C3 | O4P | 108.7° | 109.5° |
C2 | C3 | H3 | 109.7° | 109.4° |
C2 | C3 | H4 | 109.7° | 109.5° |
C3 | C2 | H5 | 108.5° | 109.5° |
C3 | O4P | P | 122.4° | 123.0° |
O4P | C3 | H3 | 109.7° | 109.4° |
O4P | C3 | H4 | 109.7° | 109.5° |
O4P | P | O2P | 108.7° | 109.5° |
O4P | P | O3P | 109.1° | 109.5° |
O4P | P | O1P | 109.5° | 109.5° |
O2P | P | O3P | 110.0° | 109.4° |
O2P | P | O1P | 109.6° | 109.5° |
O3P | P | O1P | 109.9° | 109.5° |
P | O3P | H1 | 109.5° | 114.0° |
P | O1P | H2 | 109.5° | 114.0° |
H3 | C3 | H4 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O1A | C2 | 119.5° | 120.0° |
O1 | C1 | O1A | H9 | 121.2° | 120.0° |
O1 | C1 | C2 | H9 | 119.6° | 120.1° |
O1 | C1 | C2 | O | 67.8° | 60.0° |
O1 | C1 | C2 | C3 | 171.1° | 60.1° |
O1 | C1 | C2 | H5 | 51.4° | 180.0° |
O1 | C1 | O1A | H7 | 180.0° | 60.0° |
O1A | C1 | C2 | H9 | 120.1° | 120.0° |
O1A | C1 | C2 | O | 171.9° | 60.0° |
O1A | C1 | C2 | C3 | 50.8° | 180.0° |
O1A | C1 | C2 | H5 | 68.9° | 60.0° |
O1A | C1 | O1 | H8 | 180.0° | 60.0° |
C1 | C2 | O | C3 | 122.4° | 120.0° |
C1 | C2 | O | H5 | 118.4° | 120.0° |
C1 | C2 | C3 | H5 | 119.7° | 119.9° |
C1 | C2 | C3 | O4P | 164.4° | 175.0° |
C1 | C2 | C3 | H3 | 44.5° | 65.1° |
C1 | C2 | C3 | H4 | 75.7° | 55.0° |
C1 | C2 | O | H6 | 180.0° | 60.0° |
C2 | C1 | O1A | H7 | 60.6° | 180.0° |
C2 | C1 | O1 | H8 | 60.1° | 60.0° |
O | C2 | C3 | H5 | 119.9° | 120.0° |
O | C2 | C3 | O4P | 75.2° | 64.9° |
O | C2 | C3 | H3 | 164.9° | 55.0° |
O | C2 | C3 | H4 | 44.7° | 175.1° |
O | C2 | C1 | H9 | 51.8° | 180.0° |
C2 | C3 | O4P | H3 | 119.9° | 119.9° |
C2 | C3 | O4P | H4 | 119.9° | 120.0° |
C2 | C3 | O4P | P | 168.9° | 180.0° |
C2 | C3 | H3 | H4 | 120.3° | 120.1° |
C3 | C2 | O | H6 | 57.6° | 60.0° |
C3 | C2 | C1 | H9 | 69.3° | 60.0° |
C3 | O4P | P | O2P | 68.4° | 55.0° |
C3 | O4P | P | O3P | 171.7° | 174.9° |
C3 | O4P | P | O1P | 51.3° | 65.1° |
O4P | C3 | H3 | H4 | 120.3° | 120.0° |
O4P | C3 | C2 | H5 | 44.7° | 55.1° |
O4P | P | O2P | O3P | 119.3° | 120.0° |
O4P | P | O2P | O1P | 119.7° | 120.0° |
O4P | P | O3P | O1P | 120.1° | 120.0° |
O4P | P | O3P | H1 | 119.1° | 180.0° |
O4P | P | O1P | H2 | 119.1° | 60.0° |
P | O4P | C3 | H3 | 71.2° | 60.1° |
P | O4P | C3 | H4 | 49.0° | 60.0° |
O2P | P | O3P | O1P | 120.8° | 120.0° |
O2P | P | O3P | H1 | 0.0° | 60.0° |
O2P | P | O1P | H2 | 0.0° | 180.0° |
O3P | P | O1P | H2 | 121.0° | 60.0° |
O1P | P | O3P | H1 | 120.8° | 60.0° |
H3 | C3 | C2 | H5 | 75.2° | 175.0° |
H4 | C3 | C2 | H5 | 164.6° | 64.9° |
H5 | C2 | O | H6 | 61.6° | 179.9° |
H5 | C2 | C1 | H9 | 171.0° | 60.0° |
H7 | O1A | C1 | H9 | 58.8° | 60.0° |
H8 | O1 | C1 | H9 | 58.8° | 180.0° |