P1G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | P | sing | 1.61Å | 1.60Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
P | O4 | sing | 1.61Å | 1.61Å | |
P | O2 | doub | 1.48Å | 1.48Å | |
P | C1P | sing | 1.82Å | 1.80Å | |
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 | 1.44Å | 1.44Å | |
O2' | C2' | sing | 1.46Å | 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 | 1.54Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
C4' | C5' | sing | 1.53Å | 1.54Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
O5' | H5' | sing | 0.97Å | 0.95Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
N3 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
C2 | N2 | sing | 1.37Å | 1.33Å | |
C2 | N1 | sing | 1.36Å | 1.41Å | Aromatic |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
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 | 107.1° | 106.8° |
O3 | P | O4 | 107.2° | 109.5° |
O3 | P | O2 | 112.3° | 109.4° |
O3 | P | C1P | 107.4° | 109.4° |
O4 | P | O2 | 110.5° | 109.5° |
O4 | P | C1P | 108.0° | 109.5° |
P | O4 | HO4 | 107.2° | 106.8° |
O2 | P | C1P | 111.3° | 109.5° |
P | C1P | C1 | 112.0° | 109.5° |
P | C1P | H1P1 | 111.2° | 109.5° |
P | C1P | H1P2 | 111.3° | 109.5° |
C1 | C1P | H1P1 | 111.3° | 109.4° |
C1 | C1P | H1P2 | 111.3° | 109.5° |
C1P | C1 | O3' | 111.4° | 110.4° |
C1P | C1 | O2' | 115.3° | 110.5° |
C1P | C1 | H1 | 102.4° | 110.3° |
H1P1 | C1P | H1P2 | 99.1° | 109.5° |
O3' | C1 | O2' | 103.7° | 104.7° |
O3' | C1 | H1 | 114.3° | 110.4° |
C1 | O3' | C3' | 109.8° | 104.7° |
O2' | C1 | H1 | 110.3° | 110.4° |
C1 | O2' | C2' | 109.2° | 104.8° |
O3' | C3' | C2' | 104.8° | 105.2° |
O3' | C3' | C4' | 112.0° | 108.7° |
O3' | C3' | H3' | 109.9° | 112.7° |
O2' | C2' | C3' | 105.0° | 104.0° |
O2' | C2' | C1' | 113.5° | 108.9° |
O2' | C2' | H2' | 108.4° | 112.8° |
C3' | C2' | C1' | 104.7° | 103.8° |
C3' | C2' | H2' | 116.7° | 113.6° |
C2' | C3' | C4' | 106.3° | 103.9° |
C2' | C3' | H3' | 115.3° | 112.9° |
C1' | C2' | H2' | 108.7° | 113.1° |
C2' | C1' | O4' | 105.2° | 105.0° |
C2' | C1' | N9 | 120.0° | 110.4° |
C2' | C1' | H1' | 104.9° | 110.3° |
C4' | C3' | H3' | 108.5° | 112.8° |
C3' | C4' | C5' | 115.1° | 110.4° |
C3' | C4' | O4' | 104.2° | 104.9° |
C3' | C4' | H4' | 110.9° | 110.4° |
C5' | C4' | O4' | 113.7° | 110.3° |
C5' | C4' | H4' | 100.8° | 110.3° |
C4' | C5' | O5' | 110.9° | 109.5° |
C4' | C5' | H5'1 | 111.7° | 109.5° |
C4' | C5' | H5'2 | 111.6° | 109.4° |
O4' | C4' | H4' | 112.4° | 110.3° |
C4' | O4' | C1' | 108.7° | 105.3° |
O5' | C5' | H5'1 | 111.7° | 109.5° |
O5' | C5' | H5'2 | 111.7° | 109.5° |
C5' | O5' | H5' | 110.8° | 106.8° |
H5'1 | C5' | H5'2 | 98.7° | 109.5° |
O4' | C1' | N9 | 108.4° | 110.3° |
O4' | C1' | H1' | 117.3° | 110.3° |
N9 | C1' | H1' | 101.6° | 110.3° |
C1' | N9 | C8 | 122.9° | 126.3° |
C1' | N9 | C4 | 129.6° | 126.2° |
C8 | N9 | C4 | 107.5° | 107.5° |
N9 | C8 | N7 | 111.1° | 109.8° |
N9 | C8 | H8 | 124.6° | 125.1° |
N9 | C4 | C5 | 106.4° | 106.1° |
N9 | C4 | N3 | 130.9° | 134.2° |
N7 | C8 | H8 | 124.3° | 125.1° |
C8 | N7 | C5 | 106.6° | 109.3° |
N7 | C5 | C4 | 108.3° | 107.2° |
N7 | C5 | C6 | 135.4° | 134.2° |
C4 | C5 | C6 | 116.0° | 118.6° |
C5 | C4 | N3 | 122.5° | 119.7° |
C5 | C6 | N1 | 119.9° | 118.4° |
C5 | C6 | O6 | 122.3° | 120.8° |
C4 | N3 | C2 | 123.5° | 121.1° |
N3 | C2 | N2 | 124.2° | 119.0° |
N3 | C2 | N1 | 115.8° | 121.9° |
N2 | C2 | N1 | 119.7° | 119.0° |
C2 | N2 | HN21 | 124.3° | 120.0° |
C2 | N2 | HN22 | 107.0° | 120.0° |
C2 | N1 | C6 | 122.3° | 120.3° |
C2 | N1 | HN1 | 118.7° | 119.9° |
HN21 | N2 | HN22 | 106.9° | 120.0° |
C6 | N1 | HN1 | 119.0° | 119.8° |
N1 | C6 | O6 | 117.8° | 120.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | P | O4 | O2 | 122.6° | 120.0° |
O3 | P | O4 | C1P | 115.4° | 120.0° |
O3 | P | O2 | C1P | 120.4° | 120.0° |
O3 | P | O4 | HO4 | 179.9° | 60.0° |
O3 | P | C1P | C1 | 157.2° | 65.0° |
O3 | P | C1P | H1P1 | 32.0° | 175.1° |
O3 | P | C1P | H1P2 | 77.5° | 55.0° |
HO3 | O3 | P | O4 | 179.9° | 60.0° |
HO3 | O3 | P | O2 | 58.4° | 180.0° |
HO3 | O3 | P | C1P | 64.2° | 60.0° |
O4 | P | O2 | C1P | 120.0° | 120.0° |
O4 | P | C1P | C1 | 87.5° | 175.0° |
O4 | P | C1P | H1P1 | 147.2° | 55.0° |
O4 | P | C1P | H1P2 | 37.7° | 65.0° |
O2 | P | O4 | HO4 | 57.3° | 60.0° |
O2 | P | C1P | C1 | 34.0° | 55.0° |
O2 | P | C1P | H1P1 | 91.3° | 65.0° |
O2 | P | C1P | H1P2 | 159.2° | 175.0° |
C1P | P | O4 | HO4 | 64.7° | 180.0° |
P | C1P | C1 | H1P1 | 125.2° | 120.0° |
P | C1P | C1 | H1P2 | 125.2° | 120.0° |
P | C1P | H1P1 | H1P2 | 117.1° | 120.0° |
P | C1P | C1 | O3' | 169.2° | 58.6° |
P | C1P | C1 | O2' | 73.1° | 56.7° |
P | C1P | C1 | H1 | 46.6° | 179.1° |
C1 | C1P | H1P1 | H1P2 | 117.2° | 120.0° |
C1P | C1 | O3' | O2' | 124.5° | 118.9° |
C1P | C1 | O3' | H1 | 115.4° | 122.3° |
C1P | C1 | O2' | H1 | 115.3° | 122.4° |
C1P | C1 | O3' | C3' | 98.5° | 158.6° |
C1P | C1 | O2' | C2' | 94.5° | 158.9° |
H1P1 | C1P | C1 | O3' | 65.6° | 178.5° |
H1P1 | C1P | C1 | O2' | 52.1° | 63.3° |
H1P1 | C1P | C1 | H1 | 171.9° | 59.1° |
H1P2 | C1P | C1 | O3' | 44.0° | 61.4° |
H1P2 | C1P | C1 | O2' | 161.7° | 176.7° |
H1P2 | C1P | C1 | H1 | 78.6° | 60.9° |
O3' | C1 | O2' | H1 | 122.8° | 118.8° |
O3' | C1 | O2' | C2' | 27.4° | 40.0° |
C1 | O3' | C3' | C2' | 15.0° | 23.5° |
C1 | O3' | C3' | C4' | 99.9° | 134.3° |
C1 | O3' | C3' | H3' | 139.4° | 99.9° |
O2' | C1 | O3' | C3' | 26.0° | 39.7° |
C1 | O2' | C2' | C3' | 18.4° | 24.2° |
C1 | O2' | C2' | C1' | 95.3° | 134.4° |
C1 | O2' | C2' | H2' | 143.8° | 99.2° |
H1 | C1 | O3' | C3' | 146.1° | 79.1° |
H1 | C1 | O2' | C2' | 150.2° | 78.8° |
O3' | C3' | C2' | O2' | 2.1° | 0.4° |
O3' | C3' | C2' | C4' | 118.8° | 114.2° |
O3' | C3' | C2' | H3' | 120.9° | 123.3° |
O3' | C3' | C2' | C1' | 117.7° | 114.3° |
O3' | C3' | C2' | H2' | 122.1° | 122.5° |
O3' | C3' | C4' | H3' | 121.5° | 125.7° |
O3' | C3' | C4' | C5' | 140.9° | 105.3° |
O3' | C3' | C4' | O4' | 93.9° | 135.8° |
O3' | C3' | C4' | H4' | 27.2° | 17.0° |
O2' | C2' | C3' | C1' | 119.8° | 113.9° |
O2' | C2' | C3' | H2' | 120.0° | 122.9° |
O2' | C2' | C1' | H2' | 120.7° | 126.2° |
O2' | C2' | C3' | C4' | 120.9° | 113.8° |
O2' | C2' | C3' | H3' | 118.8° | 123.7° |
O2' | C2' | C1' | O4' | 95.7° | 134.2° |
O2' | C2' | C1' | N9 | 141.9° | 106.9° |
O2' | C2' | C1' | H1' | 28.7° | 15.3° |
C3' | C2' | C1' | H2' | 125.4° | 123.5° |
C2' | C3' | C4' | H3' | 124.6° | 122.7° |
C2' | C3' | C4' | C5' | 105.2° | 143.1° |
C2' | C3' | C4' | O4' | 20.0° | 24.2° |
C2' | C3' | C4' | H4' | 141.1° | 94.7° |
C3' | C2' | C1' | O4' | 18.2° | 23.9° |
C3' | C2' | C1' | N9 | 104.1° | 142.8° |
C3' | C2' | C1' | H1' | 142.6° | 95.0° |
C1' | C2' | C3' | C4' | 1.1° | 0.2° |
C1' | C2' | C3' | H3' | 121.4° | 122.4° |
C2' | C1' | O4' | C4' | 32.6° | 40.7° |
C2' | C1' | O4' | N9 | 129.5° | 118.9° |
C2' | C1' | O4' | H1' | 116.2° | 118.9° |
C2' | C1' | N9 | H1' | 115.0° | 122.2° |
C2' | C1' | N9 | C8 | 159.0° | 93.5° |
C2' | C1' | N9 | C4 | 19.2° | 86.5° |
H2' | C2' | C3' | C4' | 119.1° | 123.3° |
H2' | C2' | C3' | H3' | 1.2° | 0.8° |
H2' | C2' | C1' | O4' | 143.6° | 99.6° |
H2' | C2' | C1' | N9 | 21.3° | 19.3° |
H2' | C2' | C1' | H1' | 92.0° | 141.5° |
C3' | C4' | C5' | O4' | 120.1° | 115.6° |
C3' | C4' | C5' | H4' | 119.4° | 122.3° |
C3' | C4' | O4' | H4' | 120.2° | 118.9° |
C3' | C4' | C5' | O5' | 179.0° | 178.0° |
C3' | C4' | C5' | H5'1 | 55.7° | 58.0° |
C3' | C4' | C5' | H5'2 | 53.7° | 62.0° |
C3' | C4' | O4' | C1' | 33.0° | 40.8° |
H3' | C3' | C4' | C5' | 19.4° | 20.5° |
H3' | C3' | C4' | O4' | 144.6° | 98.4° |
H3' | C3' | C4' | H4' | 94.3° | 142.7° |
C5' | C4' | O4' | H4' | 113.8° | 122.1° |
C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
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° | 180.0° |
C5' | C4' | O4' | C1' | 93.1° | 159.7° |
O4' | C4' | C5' | O5' | 58.9° | 66.4° |
O4' | C4' | C5' | H5'1 | 175.8° | 173.6° |
O4' | C4' | C5' | H5'2 | 66.3° | 53.5° |
C4' | O4' | C1' | N9 | 96.9° | 159.6° |
C4' | O4' | C1' | H1' | 148.8° | 78.2° |
H4' | C4' | C5' | O5' | 61.6° | 55.7° |
H4' | C4' | C5' | H5'1 | 63.7° | 64.3° |
H4' | C4' | C5' | H5'2 | 173.2° | 175.7° |
H4' | C4' | O4' | C1' | 153.1° | 78.2° |
O5' | C5' | H5'1 | H5'2 | 117.7° | 120.0° |
H5'1 | C5' | O5' | H5' | 54.8° | 60.0° |
H5'2 | C5' | O5' | H5' | 54.8° | 60.0° |
O4' | C1' | N9 | H1' | 124.2° | 122.2° |
O4' | C1' | N9 | C8 | 38.2° | 22.1° |
O4' | C1' | N9 | C4 | 140.0° | 157.9° |
C1' | N9 | C8 | C4 | 178.5° | 180.0° |
C1' | N9 | C8 | N7 | 177.0° | 180.0° |
C1' | N9 | C8 | H8 | 3.1° | 0.0° |
C1' | N9 | C4 | C5 | 176.5° | 180.0° |
C1' | N9 | C4 | N3 | 8.3° | 0.1° |
H1' | C1' | N9 | C8 | 86.0° | 144.3° |
H1' | C1' | N9 | C4 | 95.8° | 35.7° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.5° | 0.0° |
C8 | N9 | C4 | C5 | 1.9° | 0.0° |
C8 | N9 | C4 | N3 | 173.3° | 179.9° |
C4 | N9 | C8 | N7 | 1.6° | 0.0° |
C4 | N9 | C8 | H8 | 178.4° | 180.0° |
N9 | C4 | C5 | N7 | 1.6° | 0.0° |
N9 | C4 | C5 | N3 | 175.7° | 179.9° |
N9 | C4 | C5 | C6 | 176.8° | 180.0° |
N9 | C4 | N3 | C2 | 174.8° | 180.0° |
C8 | N7 | C5 | C4 | 0.7° | 0.0° |
C8 | N7 | C5 | C6 | 174.6° | 180.0° |
H8 | C8 | N7 | C5 | 179.4° | 180.0° |
N7 | C5 | C4 | C6 | 175.2° | 180.0° |
N7 | C5 | C4 | N3 | 174.1° | 180.0° |
N7 | C5 | C6 | N1 | 172.4° | 179.8° |
N7 | C5 | C6 | O6 | 7.9° | 0.0° |
C5 | C4 | N3 | C2 | 0.2° | 0.1° |
C4 | C5 | C6 | N1 | 1.2° | 0.3° |
C4 | C5 | C6 | O6 | 178.6° | 180.0° |
C6 | C5 | C4 | N3 | 1.1° | 0.1° |
C5 | C6 | N1 | C2 | 0.4° | 0.5° |
C5 | C6 | N1 | O6 | 179.8° | 179.8° |
C5 | C6 | N1 | HN1 | 179.6° | 180.0° |
C4 | N3 | C2 | N2 | 174.1° | 180.0° |
C4 | N3 | C2 | N1 | 0.6° | 0.3° |
N3 | C2 | N2 | N1 | 174.5° | 179.8° |
N3 | C2 | N2 | HN21 | 180.0° | 0.1° |
N3 | C2 | N2 | HN22 | 54.7° | 179.8° |
N3 | C2 | N1 | C6 | 0.5° | 0.5° |
N3 | C2 | N1 | HN1 | 179.5° | 180.0° |
C2 | N2 | HN21 | HN22 | 125.3° | 179.9° |
N2 | C2 | N1 | C6 | 174.5° | 179.7° |
N2 | C2 | N1 | HN1 | 5.5° | 0.2° |
N1 | C2 | N2 | HN21 | 5.5° | 179.7° |
N1 | C2 | N2 | HN22 | 119.8° | 0.4° |
C2 | N1 | C6 | HN1 | 180.0° | 179.5° |
C2 | N1 | C6 | O6 | 179.4° | 179.7° |
HN1 | N1 | C6 | O6 | 0.6° | 0.2° |