GPJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P1 | O1 | doub | 1.48Å | 1.47Å | |
P1 | O2 | sing | 1.61Å | 1.46Å | |
P1 | O3 | sing | 1.61Å | 1.52Å | |
P1 | C1 | sing | 1.82Å | 1.75Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | C3 | sing | 1.34Å | 1.28Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | C3 | doub | 1.21Å | 1.22Å | |
C1 | N1 | sing | 1.47Å | 1.45Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.51Å | 1.52Å | |
C2 | N1 | sing | 1.47Å | 1.50Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
N1 | HN | sing | 1.01Å | 1.02Å | |
N1 | HN11 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | P1 | O2 | 114.5° | 109.5° |
O1 | P1 | O3 | 112.1° | 109.5° |
O1 | P1 | C1 | 108.6° | 109.5° |
O2 | P1 | O3 | 111.4° | 109.4° |
O2 | P1 | C1 | 101.2° | 109.4° |
P1 | O2 | HO2 | 114.5° | 106.9° |
O3 | P1 | C1 | 108.4° | 109.5° |
P1 | O3 | HO3 | 112.0° | 106.8° |
P1 | C1 | N1 | 109.7° | 109.5° |
P1 | C1 | H11 | 112.1° | 109.5° |
P1 | C1 | H12 | 112.1° | 109.4° |
C3 | O4 | HO4 | 125.7° | 120.0° |
O4 | C3 | O5 | 125.7° | 120.0° |
O4 | C3 | C2 | 118.9° | 120.0° |
O5 | C3 | C2 | 115.4° | 120.0° |
N1 | C1 | H11 | 112.1° | 109.5° |
N1 | C1 | H12 | 112.2° | 109.5° |
C1 | N1 | C2 | 118.8° | 109.4° |
C1 | N1 | HN | 108.8° | 109.5° |
C1 | N1 | HN11 | 108.9° | 109.5° |
H11 | C1 | H12 | 98.2° | 109.5° |
C3 | C2 | N1 | 109.9° | 109.4° |
C3 | C2 | H21 | 112.1° | 109.4° |
C3 | C2 | H22 | 112.1° | 109.5° |
N1 | C2 | H21 | 112.1° | 109.4° |
N1 | C2 | H22 | 112.1° | 109.5° |
C2 | N1 | HN | 108.9° | 109.5° |
C2 | N1 | HN11 | 108.9° | 109.5° |
H21 | C2 | H22 | 98.3° | 109.5° |
HN | N1 | HN11 | 101.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | P1 | O2 | O3 | 128.5° | 120.0° |
O1 | P1 | O2 | C1 | 116.6° | 120.0° |
O1 | P1 | O3 | C1 | 119.8° | 120.0° |
O1 | P1 | O2 | HO2 | 180.0° | 180.0° |
O1 | P1 | O3 | HO3 | 180.0° | 60.0° |
O1 | P1 | C1 | N1 | 29.9° | 55.0° |
O1 | P1 | C1 | H11 | 95.4° | 175.0° |
O1 | P1 | C1 | H12 | 155.2° | 65.0° |
O2 | P1 | O3 | C1 | 110.5° | 120.0° |
O2 | P1 | O3 | HO3 | 50.2° | 60.0° |
O2 | P1 | C1 | N1 | 150.7° | 65.0° |
O2 | P1 | C1 | H11 | 25.4° | 55.0° |
O2 | P1 | C1 | H12 | 84.0° | 175.0° |
O3 | P1 | O2 | HO2 | 51.5° | 60.0° |
O3 | P1 | C1 | N1 | 92.1° | 175.0° |
O3 | P1 | C1 | H11 | 142.6° | 65.0° |
O3 | P1 | C1 | H12 | 33.2° | 55.1° |
C1 | P1 | O2 | HO2 | 63.4° | 60.0° |
C1 | P1 | O3 | HO3 | 60.2° | 179.9° |
P1 | C1 | N1 | H11 | 125.3° | 120.0° |
P1 | C1 | N1 | H12 | 125.3° | 119.9° |
P1 | C1 | H11 | H12 | 118.0° | 120.0° |
P1 | C1 | N1 | C2 | 176.0° | 179.9° |
P1 | C1 | N1 | HN | 58.7° | 60.0° |
P1 | C1 | N1 | HN11 | 50.8° | 60.0° |
O4 | C3 | O5 | C2 | 179.1° | 179.9° |
O4 | C3 | C2 | N1 | 5.3° | 180.0° |
O4 | C3 | C2 | H21 | 130.6° | 60.1° |
O4 | C3 | C2 | H22 | 120.0° | 60.0° |
HO4 | O4 | C3 | O5 | 180.0° | 0.0° |
HO4 | O4 | C3 | C2 | 0.9° | 179.9° |
O5 | C3 | C2 | N1 | 175.5° | 0.1° |
O5 | C3 | C2 | H21 | 50.2° | 120.0° |
O5 | C3 | C2 | H22 | 59.2° | 120.0° |
N1 | C1 | H11 | H12 | 118.1° | 120.0° |
C1 | N1 | C2 | C3 | 178.3° | 180.0° |
C1 | N1 | C2 | HN | 125.2° | 120.0° |
C1 | N1 | C2 | HN11 | 125.2° | 119.9° |
C1 | N1 | C2 | H21 | 56.4° | 60.1° |
C1 | N1 | C2 | H22 | 53.0° | 60.0° |
C1 | N1 | HN | HN11 | 114.6° | 120.0° |
H11 | C1 | N1 | C2 | 50.8° | 60.1° |
H11 | C1 | N1 | HN | 176.0° | 60.0° |
H11 | C1 | N1 | HN11 | 74.5° | 180.0° |
H12 | C1 | N1 | C2 | 58.7° | 60.0° |
H12 | C1 | N1 | HN | 66.5° | 179.9° |
H12 | C1 | N1 | HN11 | 176.1° | 59.9° |
C3 | C2 | N1 | H21 | 125.3° | 119.9° |
C3 | C2 | N1 | H22 | 125.3° | 120.0° |
C3 | C2 | H21 | H22 | 118.0° | 120.0° |
C3 | C2 | N1 | HN | 56.5° | 59.9° |
C3 | C2 | N1 | HN11 | 53.0° | 60.1° |
N1 | C2 | H21 | H22 | 117.9° | 120.1° |
C2 | N1 | HN | HN11 | 114.6° | 120.0° |
H21 | C2 | N1 | HN | 68.8° | 60.0° |
H21 | C2 | N1 | HN11 | 178.3° | 180.0° |
H22 | C2 | N1 | HN | 178.2° | 179.9° |
H22 | C2 | N1 | HN11 | 72.3° | 59.9° |