PGL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C | sing | 1.47Å | 1.38Å | |
N | HN1 | sing | 1.01Å | 1.00Å | |
N | HN2 | sing | 1.01Å | 1.00Å | |
C | P | sing | 1.82Å | 1.79Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
P | O1 | doub | 1.48Å | 1.41Å | |
P | O2 | sing | 1.61Å | 1.56Å | |
P | O3 | sing | 1.61Å | 1.72Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | N | HN1 | 109.5° | 110.9° |
C | N | HN2 | 109.4° | 111.0° |
N | C | P | 97.7° | 109.5° |
N | C | H1 | 113.6° | 109.4° |
N | C | H2 | 113.6° | 109.5° |
HN1 | N | HN2 | 109.5° | 111.0° |
P | C | H1 | 113.6° | 109.5° |
P | C | H2 | 113.6° | 109.5° |
C | P | O1 | 115.9° | 109.5° |
C | P | O2 | 118.2° | 109.5° |
C | P | O3 | 97.1° | 109.5° |
H1 | C | H2 | 105.0° | 109.5° |
O1 | P | O2 | 108.5° | 109.5° |
O1 | P | O3 | 109.4° | 109.5° |
O2 | P | O3 | 106.5° | 109.5° |
P | O2 | HO2 | 109.5° | 114.0° |
P | O3 | H6 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | N | HN1 | HN2 | 120.0° | 123.9° |
N | C | P | H1 | 120.0° | 120.0° |
N | C | P | H2 | 120.0° | 120.0° |
N | C | H1 | H2 | 124.8° | 120.0° |
N | C | P | O1 | 81.5° | 55.0° |
N | C | P | O2 | 49.9° | 65.0° |
N | C | P | O3 | 162.9° | 175.0° |
HN1 | N | C | P | 180.0° | 56.1° |
HN1 | N | C | H1 | 60.0° | 176.1° |
HN1 | N | C | H2 | 60.0° | 64.0° |
HN2 | N | C | P | 60.0° | 180.0° |
HN2 | N | C | H1 | 60.0° | 60.0° |
HN2 | N | C | H2 | 180.0° | 59.9° |
P | C | H1 | H2 | 124.7° | 120.0° |
C | P | O1 | O2 | 135.8° | 120.0° |
C | P | O1 | O3 | 108.4° | 120.0° |
C | P | O2 | O3 | 107.7° | 120.0° |
C | P | O2 | HO2 | 134.6° | 60.0° |
C | P | O3 | H6 | 120.7° | 180.0° |
H1 | C | P | O1 | 158.5° | 175.0° |
H1 | C | P | O2 | 70.1° | 55.0° |
H1 | C | P | O3 | 42.9° | 65.0° |
H2 | C | P | O1 | 38.6° | 65.0° |
H2 | C | P | O2 | 169.9° | 175.0° |
H2 | C | P | O3 | 77.0° | 55.0° |
O1 | P | O2 | O3 | 117.7° | 120.0° |
O1 | P | O2 | HO2 | 0.0° | 179.9° |
O1 | P | O3 | H6 | 0.0° | 60.0° |
O2 | P | O3 | H6 | 117.1° | 60.0° |
O3 | P | O2 | HO2 | 117.7° | 60.0° |