EAP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | P | doub | 1.48Å | 1.50Å | |
O2 | P | sing | 1.61Å | 1.48Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | P | sing | 1.61Å | 1.49Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | P | sing | 1.61Å | 1.49Å | |
O4 | C1 | sing | 1.36Å | 1.44Å | |
C1 | C2 | doub | 1.32Å | 1.52Å | |
C1 | H11 | sing | 1.08Å | 1.10Å | |
C2 | N3 | sing | 1.40Å | 1.33Å | |
C2 | H21 | sing | 1.08Å | 1.10Å | |
N3 | HN31 | sing | 0.97Å | 1.02Å | |
N3 | HN32 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | P | O2 | 108.5° | 109.4° |
O1 | P | O3 | 109.8° | 109.4° |
O1 | P | O4 | 108.5° | 109.5° |
P | O2 | HO2 | 108.5° | 106.8° |
O2 | P | O3 | 112.7° | 109.5° |
O2 | P | O4 | 108.6° | 109.5° |
P | O3 | HO3 | 109.8° | 106.8° |
O3 | P | O4 | 108.7° | 109.5° |
P | O4 | C1 | 110.6° | 106.8° |
O4 | C1 | C2 | 110.1° | 120.0° |
O4 | C1 | H11 | 122.8° | 120.0° |
C2 | C1 | H11 | 127.2° | 120.0° |
C1 | C2 | N3 | 109.9° | 120.0° |
C1 | C2 | H21 | 130.5° | 120.0° |
N3 | C2 | H21 | 119.6° | 120.0° |
C2 | N3 | HN31 | 109.8° | 120.1° |
C2 | N3 | HN32 | 112.0° | 119.9° |
HN31 | N3 | HN32 | 112.1° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | P | O2 | O3 | 121.8° | 119.9° |
O1 | P | O2 | O4 | 117.7° | 120.0° |
O1 | P | O2 | HO2 | 180.0° | 60.0° |
O1 | P | O3 | O4 | 118.5° | 120.0° |
O1 | P | O3 | HO3 | 180.0° | 180.0° |
O1 | P | O4 | C1 | 66.5° | 60.0° |
O2 | P | O3 | O4 | 120.4° | 120.1° |
O2 | P | O3 | HO3 | 58.9° | 60.1° |
O2 | P | O4 | C1 | 175.8° | 180.0° |
HO2 | O2 | P | O3 | 58.2° | 60.0° |
HO2 | O2 | P | O4 | 62.3° | 180.0° |
O3 | P | O4 | C1 | 52.9° | 60.0° |
HO3 | O3 | P | O4 | 61.5° | 60.0° |
P | O4 | C1 | C2 | 152.0° | 180.0° |
P | O4 | C1 | H11 | 28.0° | 0.0° |
O4 | C1 | C2 | H11 | 180.0° | 179.9° |
O4 | C1 | C2 | N3 | 130.2° | 179.9° |
O4 | C1 | C2 | H21 | 49.8° | 0.0° |
C1 | C2 | N3 | H21 | 180.0° | 180.0° |
C1 | C2 | N3 | HN31 | 180.0° | 179.9° |
C1 | C2 | N3 | HN32 | 54.7° | 0.3° |
H11 | C1 | C2 | N3 | 49.8° | 0.0° |
H11 | C1 | C2 | H21 | 130.2° | 180.0° |
C2 | N3 | HN31 | HN32 | 125.2° | 179.7° |
H21 | C2 | N3 | HN31 | 0.0° | 0.1° |
H21 | C2 | N3 | HN32 | 125.3° | 179.7° |