P1D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | P | sing | 1.61Å | 1.61Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
P | O4 | sing | 1.61Å | 1.60Å | |
P | O2 | doub | 1.48Å | 1.49Å | |
P | C1P | sing | 1.82Å | 1.81Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C1P | C1 | sing | 1.53Å | 1.54Å | |
C1P | H1P1 | sing | 1.09Å | 1.11Å | |
C1P | H1P2 | sing | 1.09Å | 1.11Å | |
C1 | O3' | sing | 1.44Å | 1.44Å | |
C1 | O2' | sing | 1.44Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
O3' | C3' | sing | 1.45Å | 1.44Å | |
O2' | C2' | sing | 1.45Å | 1.44Å | |
C2' | C3' | sing | 1.56Å | 1.52Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
C3' | C4' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
C4' | C5' | sing | 1.53Å | 1.54Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
O5' | H5' | sing | 0.97Å | 0.95Å | |
O4' | C1' | sing | 1.44Å | 1.45Å | |
C1' | C9 | sing | 1.51Å | 1.54Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
C9 | C8 | doub | 1.35Å | 1.33Å | Aromatic |
C9 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
C8 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.38Å | 1.33Å | Aromatic |
N7 | HN7 | sing | 0.97Å | 1.02Å | |
C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C4 | N3 | sing | 1.36Å | 1.36Å | Aromatic |
N3 | C2 | doub | 1.30Å | 1.33Å | Aromatic |
C2 | N1 | sing | 1.36Å | 1.41Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N1 | C6 | sing | 1.35Å | 1.41Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C6 | O6 | doub | 1.22Å | 1.23Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | O3 | HO3 | 109.3° | 106.8° |
O3 | P | O4 | 109.3° | 109.5° |
O3 | P | O2 | 112.4° | 109.5° |
O3 | P | C1P | 108.6° | 109.5° |
O4 | P | O2 | 108.5° | 109.5° |
O4 | P | C1P | 107.3° | 109.4° |
P | O4 | HO4 | 109.4° | 106.8° |
O2 | P | C1P | 110.6° | 109.5° |
P | C1P | C1 | 113.1° | 109.5° |
P | C1P | H1P1 | 110.8° | 109.5° |
P | C1P | H1P2 | 110.9° | 109.5° |
C1 | C1P | H1P1 | 110.9° | 109.5° |
C1 | C1P | H1P2 | 110.9° | 109.4° |
C1P | C1 | O3' | 107.9° | 110.2° |
C1P | C1 | O2' | 116.0° | 110.1° |
C1P | C1 | H1 | 104.4° | 110.1° |
H1P1 | C1P | H1P2 | 99.5° | 109.5° |
O3' | C1 | O2' | 103.4° | 106.1° |
O3' | C1 | H1 | 116.8° | 110.2° |
C1 | O3' | C3' | 111.0° | 107.5° |
O2' | C1 | H1 | 108.8° | 110.1° |
C1 | O2' | C2' | 109.6° | 103.7° |
O3' | C3' | C2' | 104.5° | 104.3° |
O3' | C3' | C4' | 111.2° | 108.9° |
O3' | C3' | H3' | 110.7° | 112.9° |
O2' | C2' | C3' | 105.2° | 103.5° |
O2' | C2' | C1' | 114.7° | 108.6° |
O2' | C2' | H2' | 107.5° | 113.2° |
C3' | C2' | C1' | 105.1° | 104.1° |
C3' | C2' | H2' | 116.8° | 113.5° |
C2' | C3' | C4' | 106.7° | 102.2° |
C2' | C3' | H3' | 114.9° | 114.2° |
C1' | C2' | H2' | 107.8° | 113.2° |
C2' | C1' | O4' | 104.4° | 107.4° |
C2' | C1' | C9 | 120.0° | 110.0° |
C2' | C1' | H1' | 107.2° | 109.9° |
C4' | C3' | H3' | 108.7° | 113.4° |
C3' | C4' | C5' | 111.6° | 110.6° |
C3' | C4' | O4' | 103.7° | 104.0° |
C3' | C4' | H4' | 114.8° | 110.5° |
C5' | C4' | O4' | 116.8° | 110.5° |
C5' | C4' | H4' | 101.1° | 110.5° |
C4' | C5' | O5' | 111.0° | 109.5° |
C4' | C5' | H5'1 | 111.6° | 109.5° |
C4' | C5' | H5'2 | 111.6° | 109.5° |
O4' | C4' | H4' | 109.4° | 110.6° |
C4' | O4' | C1' | 109.4° | 106.9° |
O5' | C5' | H5'1 | 111.7° | 109.5° |
O5' | C5' | H5'2 | 111.7° | 109.5° |
C5' | O5' | H5' | 110.9° | 106.9° |
H5'1 | C5' | H5'2 | 98.7° | 109.4° |
O4' | C1' | C9 | 113.0° | 109.9° |
O4' | C1' | H1' | 115.1° | 109.9° |
C9 | C1' | H1' | 97.5° | 109.8° |
C1' | C9 | C8 | 123.3° | 126.1° |
C1' | C9 | C4 | 128.5° | 126.1° |
C8 | C9 | C4 | 108.0° | 107.8° |
C9 | C8 | N7 | 109.6° | 109.4° |
C9 | C8 | H8 | 125.2° | 125.3° |
C9 | C4 | C5 | 105.0° | 106.6° |
C9 | C4 | N3 | 132.4° | 134.0° |
N7 | C8 | H8 | 125.2° | 125.3° |
C8 | N7 | C5 | 109.1° | 108.8° |
C8 | N7 | HN7 | 125.5° | 125.6° |
C5 | N7 | HN7 | 125.5° | 125.6° |
N7 | C5 | C4 | 108.3° | 107.3° |
N7 | C5 | C6 | 134.9° | 134.2° |
C4 | C5 | C6 | 116.7° | 118.5° |
C5 | C4 | N3 | 122.6° | 119.3° |
C5 | C6 | N1 | 119.1° | 118.4° |
C5 | C6 | O6 | 121.7° | 120.8° |
C4 | N3 | C2 | 122.7° | 121.0° |
N3 | C2 | N1 | 117.4° | 122.2° |
N3 | C2 | H2 | 118.5° | 118.9° |
N1 | C2 | H2 | 124.1° | 118.9° |
C2 | N1 | C6 | 121.4° | 120.5° |
C2 | N1 | HN1 | 119.3° | 119.8° |
C6 | N1 | HN1 | 119.3° | 119.7° |
N1 | C6 | O6 | 119.1° | 120.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | P | O4 | O2 | 122.9° | 120.0° |
O3 | P | O4 | C1P | 117.6° | 120.0° |
O3 | P | O2 | C1P | 121.6° | 120.1° |
O3 | P | O4 | HO4 | 180.0° | 60.0° |
O3 | P | C1P | C1 | 153.5° | 65.0° |
O3 | P | C1P | H1P1 | 28.3° | 175.0° |
O3 | P | C1P | H1P2 | 81.3° | 54.9° |
HO3 | O3 | P | O4 | 180.0° | 60.0° |
HO3 | O3 | P | O2 | 59.4° | 180.0° |
HO3 | O3 | P | C1P | 63.3° | 60.0° |
O4 | P | O2 | C1P | 117.4° | 119.9° |
O4 | P | C1P | C1 | 88.4° | 175.0° |
O4 | P | C1P | H1P1 | 146.4° | 55.0° |
O4 | P | C1P | H1P2 | 36.8° | 65.0° |
O2 | P | O4 | HO4 | 57.0° | 60.0° |
O2 | P | C1P | C1 | 29.7° | 55.1° |
O2 | P | C1P | H1P1 | 95.5° | 65.0° |
O2 | P | C1P | H1P2 | 154.9° | 175.0° |
C1P | P | O4 | HO4 | 62.4° | 180.0° |
P | C1P | C1 | H1P1 | 125.2° | 120.0° |
P | C1P | C1 | H1P2 | 125.2° | 120.0° |
P | C1P | H1P1 | H1P2 | 116.7° | 120.0° |
P | C1P | C1 | O3' | 166.0° | 56.6° |
P | C1P | C1 | O2' | 78.6° | 60.0° |
P | C1P | C1 | H1 | 41.1° | 178.4° |
C1 | C1P | H1P1 | H1P2 | 116.8° | 120.0° |
C1P | C1 | O3' | O2' | 123.4° | 119.1° |
C1P | C1 | O3' | H1 | 117.2° | 121.7° |
C1P | C1 | O2' | H1 | 117.3° | 121.6° |
C1P | C1 | O3' | C3' | 100.5° | 146.3° |
C1P | C1 | O2' | C2' | 92.4° | 158.5° |
H1P1 | C1P | C1 | O3' | 68.7° | 176.7° |
H1P1 | C1P | C1 | O2' | 46.6° | 60.0° |
H1P1 | C1P | C1 | H1 | 166.3° | 61.6° |
H1P2 | C1P | C1 | O3' | 40.8° | 63.3° |
H1P2 | C1P | C1 | O2' | 156.2° | 180.0° |
H1P2 | C1P | C1 | H1 | 84.1° | 58.4° |
O3' | C1 | O2' | H1 | 124.8° | 119.2° |
O3' | C1 | O2' | C2' | 25.5° | 39.3° |
C1 | O3' | C3' | C2' | 11.7° | 4.8° |
C1 | O3' | C3' | C4' | 103.1° | 113.3° |
C1 | O3' | C3' | H3' | 136.0° | 119.8° |
O2' | C1 | O3' | C3' | 22.9° | 27.1° |
C1 | O2' | C2' | C3' | 18.8° | 34.9° |
C1 | O2' | C2' | C1' | 96.2° | 145.1° |
C1 | O2' | C2' | H2' | 144.0° | 88.4° |
H1 | C1 | O3' | C3' | 142.3° | 92.0° |
H1 | C1 | O2' | C2' | 150.3° | 79.9° |
O3' | C3' | C2' | O2' | 4.3° | 18.7° |
O3' | C3' | C2' | C4' | 117.9° | 113.4° |
O3' | C3' | C2' | H3' | 121.6° | 123.8° |
O3' | C3' | C2' | C1' | 117.2° | 132.1° |
O3' | C3' | C2' | H2' | 123.4° | 104.4° |
O3' | C3' | C4' | H3' | 122.1° | 126.6° |
O3' | C3' | C4' | C5' | 139.5° | 95.8° |
O3' | C3' | C4' | O4' | 94.0° | 145.5° |
O3' | C3' | C4' | H4' | 25.2° | 26.9° |
O2' | C2' | C3' | C1' | 121.5° | 113.5° |
O2' | C2' | C3' | H2' | 119.2° | 123.1° |
O2' | C2' | C1' | H2' | 119.7° | 126.6° |
O2' | C2' | C3' | C4' | 122.1° | 94.7° |
O2' | C2' | C3' | H3' | 117.3° | 142.5° |
O2' | C2' | C1' | O4' | 96.7° | 113.9° |
O2' | C2' | C1' | C9 | 135.4° | 126.6° |
O2' | C2' | C1' | H1' | 25.8° | 5.6° |
C3' | C2' | C1' | H2' | 125.2° | 123.7° |
C2' | C3' | C4' | H3' | 124.5° | 123.4° |
C2' | C3' | C4' | C5' | 107.1° | 154.2° |
C2' | C3' | C4' | O4' | 19.4° | 35.6° |
C2' | C3' | C4' | H4' | 138.6° | 83.1° |
C3' | C2' | C1' | O4' | 18.4° | 4.1° |
C3' | C2' | C1' | C9 | 109.5° | 123.6° |
C3' | C2' | C1' | H1' | 140.9° | 115.4° |
C1' | C2' | C3' | C4' | 0.7° | 18.8° |
C1' | C2' | C3' | H3' | 121.2° | 104.1° |
C2' | C1' | O4' | C4' | 32.5° | 27.7° |
C2' | C1' | O4' | C9 | 132.0° | 119.6° |
C2' | C1' | O4' | H1' | 117.2° | 119.5° |
C2' | C1' | C9 | H1' | 114.8° | 121.0° |
C2' | C1' | C9 | C8 | 162.0° | 94.4° |
C2' | C1' | C9 | C4 | 12.7° | 85.2° |
H2' | C2' | C3' | C4' | 118.7° | 142.2° |
H2' | C2' | C3' | H3' | 1.9° | 19.4° |
H2' | C2' | C1' | O4' | 143.6° | 119.6° |
H2' | C2' | C1' | C9 | 15.7° | 0.1° |
H2' | C2' | C1' | H1' | 93.8° | 120.9° |
C3' | C4' | C5' | O4' | 119.0° | 114.6° |
C3' | C4' | C5' | H4' | 122.5° | 122.7° |
C3' | C4' | O4' | H4' | 122.9° | 118.7° |
C3' | C4' | C5' | O5' | 171.3° | 177.0° |
C3' | C4' | C5' | H5'1 | 63.4° | 63.0° |
C3' | C4' | C5' | H5'2 | 46.0° | 57.0° |
C3' | C4' | O4' | C1' | 32.7° | 40.0° |
H3' | C3' | C4' | C5' | 17.3° | 30.8° |
H3' | C3' | C4' | O4' | 143.9° | 87.8° |
H3' | C3' | C4' | H4' | 96.9° | 153.5° |
C5' | C4' | O4' | H4' | 114.0° | 122.7° |
C4' | C5' | O5' | H5'1 | 125.2° | 120.1° |
C4' | C5' | O5' | H5'2 | 125.2° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 117.5° | 120.0° |
C4' | C5' | O5' | H5' | 180.0° | 179.9° |
C5' | C4' | O4' | C1' | 90.5° | 158.6° |
O4' | C4' | C5' | O5' | 52.4° | 68.4° |
O4' | C4' | C5' | H5'1 | 177.7° | 51.6° |
O4' | C4' | C5' | H5'2 | 72.9° | 171.6° |
C4' | O4' | C1' | C9 | 99.5° | 147.2° |
C4' | O4' | C1' | H1' | 149.7° | 91.8° |
H4' | C4' | C5' | O5' | 66.2° | 54.3° |
H4' | C4' | C5' | H5'1 | 59.1° | 174.3° |
H4' | C4' | C5' | H5'2 | 168.5° | 65.7° |
H4' | C4' | O4' | C1' | 155.6° | 78.7° |
O5' | C5' | H5'1 | H5'2 | 117.6° | 120.0° |
H5'1 | C5' | O5' | H5' | 54.7° | 60.0° |
H5'2 | C5' | O5' | H5' | 54.8° | 59.9° |
O4' | C1' | C9 | H1' | 121.4° | 121.0° |
O4' | C1' | C9 | C8 | 38.2° | 23.6° |
O4' | C1' | C9 | C4 | 136.6° | 156.8° |
C1' | C9 | C8 | C4 | 175.7° | 179.7° |
C1' | C9 | C8 | N7 | 175.5° | 179.9° |
C1' | C9 | C8 | H8 | 4.5° | 0.1° |
C1' | C9 | C4 | C5 | 174.9° | 179.9° |
C1' | C9 | C4 | N3 | 2.7° | 0.8° |
H1' | C1' | C9 | C8 | 83.2° | 144.5° |
H1' | C1' | C9 | C4 | 102.1° | 35.8° |
C9 | C8 | N7 | H8 | 180.0° | 180.0° |
C9 | C8 | N7 | C5 | 0.3° | 0.0° |
C9 | C8 | N7 | HN7 | 179.7° | 180.0° |
C8 | C9 | C4 | C5 | 0.5° | 0.4° |
C8 | C9 | C4 | N3 | 178.0° | 179.5° |
C4 | C9 | C8 | N7 | 0.1° | 0.2° |
C4 | C9 | C8 | H8 | 179.8° | 179.8° |
C9 | C4 | C5 | N7 | 0.7° | 0.4° |
C9 | C4 | C5 | N3 | 177.8° | 179.3° |
C9 | C4 | C5 | C6 | 177.8° | 179.8° |
C9 | C4 | N3 | C2 | 176.9° | 179.6° |
C8 | N7 | C5 | HN7 | 180.0° | 180.0° |
C8 | N7 | C5 | C4 | 0.6° | 0.3° |
C8 | N7 | C5 | C6 | 177.4° | 180.0° |
H8 | C8 | N7 | C5 | 179.7° | 180.0° |
H8 | C8 | N7 | HN7 | 0.3° | 0.0° |
N7 | C5 | C4 | C6 | 178.5° | 179.7° |
N7 | C5 | C4 | N3 | 178.5° | 179.7° |
N7 | C5 | C6 | N1 | 178.1° | 180.0° |
N7 | C5 | C6 | O6 | 1.7° | 0.1° |
HN7 | N7 | C5 | C4 | 179.3° | 179.8° |
HN7 | N7 | C5 | C6 | 2.6° | 0.1° |
C5 | C4 | N3 | C2 | 0.3° | 0.6° |
C4 | C5 | C6 | N1 | 0.2° | 0.3° |
C4 | C5 | C6 | O6 | 176.2° | 179.8° |
C6 | C5 | C4 | N3 | 0.1° | 0.6° |
C5 | C6 | N1 | C2 | 0.5° | 0.1° |
C5 | C6 | N1 | O6 | 176.5° | 179.9° |
C5 | C6 | N1 | HN1 | 179.5° | 180.0° |
C4 | N3 | C2 | N1 | 0.6° | 0.3° |
C4 | N3 | C2 | H2 | 179.4° | 179.7° |
N3 | C2 | N1 | H2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.8° | 0.1° |
N3 | C2 | N1 | HN1 | 179.2° | 180.0° |
C2 | N1 | C6 | HN1 | 180.0° | 180.0° |
C2 | N1 | C6 | O6 | 176.0° | 180.0° |
H2 | C2 | N1 | C6 | 179.3° | 180.0° |
H2 | C2 | N1 | HN1 | 0.7° | 0.0° |
HN1 | N1 | C6 | O6 | 4.1° | 0.0° |