PCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| PA | O2A | doub | 1.48Å | 1.48Å | |
| PA | O5' | sing | 1.61Å | 1.49Å | |
| PA | O3' | sing | 1.62Å | 1.51Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.52Å | 1.49Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.43Å | 1.41Å | |
| C4' | C3' | sing | 1.55Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.45Å | 1.43Å | |
| C3' | O3' | sing | 1.41Å | 1.43Å | |
| C3' | C2' | sing | 1.54Å | 1.56Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.56Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.43Å | |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.27Å | |
| C6 | N1 | sing | 1.35Å | 1.41Å | |
| N1 | C2 | sing | 1.36Å | 1.41Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.36Å | |
| C2 | N3 | doub | 1.31Å | 1.36Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 109.1° | 109.2° |
| O1A | PA | O5' | 118.0° | 109.2° |
| O1A | PA | O3' | 102.4° | 109.2° |
| PA | O1A | HO1A | 109.1° | 106.8° |
| O2A | PA | O5' | 99.9° | 109.2° |
| O2A | PA | O3' | 116.1° | 109.1° |
| O5' | PA | O3' | 112.0° | 110.9° |
| PA | O5' | C5' | 123.7° | 108.6° |
| PA | O3' | C3' | 122.9° | 105.3° |
| O5' | C5' | C4' | 106.3° | 107.8° |
| O5' | C5' | H5'1 | 113.4° | 109.8° |
| O5' | C5' | H5'2 | 113.4° | 109.8° |
| C4' | C5' | H5'1 | 113.4° | 109.8° |
| C4' | C5' | H5'2 | 113.4° | 109.8° |
| C5' | C4' | O4' | 119.3° | 115.8° |
| C5' | C4' | C3' | 128.0° | 108.2° |
| C5' | C4' | H4' | 60.2° | 109.8° |
| H5'1 | C5' | H5'2 | 97.0° | 109.8° |
| O4' | C4' | C3' | 111.8° | 102.9° |
| O4' | C4' | H4' | 130.6° | 109.9° |
| C4' | O4' | C1' | 106.9° | 105.6° |
| C3' | C4' | H4' | 93.4° | 109.9° |
| C4' | C3' | O3' | 106.1° | 107.4° |
| C4' | C3' | C2' | 95.9° | 101.1° |
| C4' | C3' | H3' | 123.3° | 110.3° |
| O4' | C1' | C2' | 103.6° | 107.3° |
| O4' | C1' | N9 | 99.6° | 109.9° |
| O4' | C1' | H1' | 120.6° | 109.9° |
| O3' | C3' | C2' | 119.0° | 115.5° |
| O3' | C3' | H3' | 102.2° | 110.7° |
| C2' | C3' | H3' | 111.5° | 111.3° |
| C3' | C2' | O2' | 116.7° | 110.6° |
| C3' | C2' | C1' | 100.2° | 103.1° |
| C3' | C2' | H2' | 109.5° | 110.6° |
| O2' | C2' | C1' | 104.4° | 111.3° |
| O2' | C2' | H2' | 105.7° | 110.6° |
| C2' | O2' | HO2' | 116.7° | 106.8° |
| C1' | C2' | H2' | 120.9° | 110.4° |
| C2' | C1' | N9 | 114.1° | 109.9° |
| C2' | C1' | H1' | 107.7° | 109.9° |
| N9 | C1' | H1' | 111.2° | 109.8° |
| C1' | N9 | C8 | 138.0° | 126.2° |
| C1' | N9 | C4 | 112.5° | 126.2° |
| C8 | N9 | C4 | 109.4° | 107.5° |
| N9 | C8 | N7 | 111.6° | 109.8° |
| N9 | C8 | H8 | 127.1° | 125.1° |
| N9 | C4 | C5 | 102.7° | 106.1° |
| N9 | C4 | N3 | 125.0° | 134.3° |
| N7 | C8 | H8 | 121.3° | 125.1° |
| C8 | N7 | C5 | 104.7° | 109.3° |
| N7 | C5 | C6 | 128.4° | 134.1° |
| N7 | C5 | C4 | 111.2° | 107.3° |
| C6 | C5 | C4 | 120.4° | 118.6° |
| C5 | C6 | O6 | 128.4° | 120.8° |
| C5 | C6 | N1 | 108.0° | 118.3° |
| C5 | C4 | N3 | 132.1° | 119.6° |
| O6 | C6 | N1 | 123.7° | 120.9° |
| C6 | N1 | C2 | 127.0° | 120.3° |
| C6 | N1 | HN1 | 116.5° | 119.8° |
| C2 | N1 | HN1 | 116.4° | 119.8° |
| N1 | C2 | N2 | 112.8° | 119.0° |
| N1 | C2 | N3 | 126.3° | 121.9° |
| N2 | C2 | N3 | 120.8° | 119.0° |
| C2 | N2 | HN21 | 112.8° | 120.0° |
| C2 | N2 | HN22 | 111.0° | 120.0° |
| C2 | N3 | C4 | 106.0° | 121.2° |
| HN21 | N2 | HN22 | 111.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5' | 124.4° | 119.3° |
| O1A | PA | O2A | O3' | 115.0° | 119.3° |
| O1A | PA | O5' | O3' | 118.5° | 120.4° |
| O1A | PA | O5' | C5' | 80.4° | 175.5° |
| O1A | PA | O3' | C3' | 92.1° | 178.1° |
| O2A | PA | O5' | O3' | 123.5° | 120.3° |
| O2A | PA | O1A | HO1A | 180.0° | 59.3° |
| O2A | PA | O5' | C5' | 161.6° | 65.2° |
| O2A | PA | O3' | C3' | 149.2° | 62.6° |
| O5' | PA | O1A | HO1A | 67.0° | 60.0° |
| PA | O5' | C5' | C4' | 5.9° | 59.2° |
| PA | O5' | C5' | H5'1 | 119.4° | 60.4° |
| PA | O5' | C5' | H5'2 | 131.1° | 178.7° |
| O5' | PA | O3' | C3' | 35.3° | 57.8° |
| O3' | PA | O1A | HO1A | 56.5° | 178.6° |
| O3' | PA | O5' | C5' | 38.2° | 55.2° |
| PA | O3' | C3' | C4' | 2.0° | 64.6° |
| PA | O3' | C3' | C2' | 104.4° | 176.5° |
| PA | O3' | C3' | H3' | 132.3° | 55.9° |
| O5' | C5' | C4' | H5'1 | 125.3° | 119.6° |
| O5' | C5' | C4' | H5'2 | 125.3° | 119.6° |
| O5' | C5' | H5'1 | H5'2 | 119.3° | 120.8° |
| O5' | C5' | C4' | O4' | 154.4° | 176.9° |
| O5' | C5' | C4' | C3' | 37.0° | 68.2° |
| O5' | C5' | C4' | H4' | 31.8° | 51.7° |
| C4' | C5' | H5'1 | H5'2 | 119.3° | 120.8° |
| C5' | C4' | O4' | C3' | 170.4° | 117.9° |
| C5' | C4' | O4' | H4' | 74.4° | 125.1° |
| C5' | C4' | C3' | H4' | 54.1° | 119.9° |
| C5' | C4' | O4' | C1' | 172.9° | 161.2° |
| C5' | C4' | C3' | O3' | 38.9° | 72.9° |
| C5' | C4' | C3' | C2' | 161.4° | 165.7° |
| C5' | C4' | C3' | H3' | 78.1° | 47.8° |
| H5'1 | C5' | C4' | O4' | 29.1° | 63.5° |
| H5'1 | C5' | C4' | C3' | 162.3° | 51.4° |
| H5'1 | C5' | C4' | H4' | 93.6° | 171.3° |
| H5'2 | C5' | C4' | O4' | 80.4° | 57.4° |
| H5'2 | C5' | C4' | C3' | 88.3° | 172.2° |
| H5'2 | C5' | C4' | H4' | 157.0° | 67.8° |
| O4' | C4' | C3' | H4' | 136.6° | 117.0° |
| O4' | C4' | C3' | O3' | 151.8° | 164.0° |
| O4' | C4' | C3' | C2' | 29.3° | 42.6° |
| O4' | C4' | C3' | H3' | 91.3° | 75.3° |
| C4' | O4' | C1' | C2' | 26.1° | 26.7° |
| C4' | O4' | C1' | N9 | 91.7° | 146.2° |
| C4' | O4' | C1' | H1' | 146.5° | 92.8° |
| C3' | C4' | O4' | C1' | 2.6° | 43.4° |
| C4' | C3' | O3' | C2' | 106.4° | 111.9° |
| C4' | C3' | O3' | H3' | 130.3° | 120.4° |
| C4' | C3' | C2' | H3' | 129.4° | 117.1° |
| C4' | C3' | C2' | O2' | 70.1° | 93.6° |
| C4' | C3' | C2' | C1' | 41.8° | 25.5° |
| C4' | C3' | C2' | H2' | 169.9° | 143.5° |
| H4' | C4' | O4' | C1' | 112.7° | 73.7° |
| H4' | C4' | C3' | O3' | 15.2° | 47.0° |
| H4' | C4' | C3' | C2' | 107.2° | 74.4° |
| H4' | C4' | C3' | H3' | 132.2° | 167.7° |
| O4' | C1' | C2' | C3' | 44.2° | 1.0° |
| O4' | C1' | C2' | O2' | 76.9° | 117.6° |
| O4' | C1' | C2' | N9 | 107.2° | 119.5° |
| O4' | C1' | C2' | H1' | 128.8° | 119.5° |
| O4' | C1' | C2' | H2' | 164.4° | 119.2° |
| O4' | C1' | N9 | H1' | 128.3° | 121.0° |
| O4' | C1' | N9 | C8 | 46.7° | 28.3° |
| O4' | C1' | N9 | C4 | 128.8° | 151.8° |
| O3' | C3' | C2' | H3' | 118.6° | 127.3° |
| O3' | C3' | C2' | O2' | 41.9° | 21.9° |
| O3' | C3' | C2' | C1' | 153.9° | 141.0° |
| O3' | C3' | C2' | H2' | 78.1° | 101.0° |
| C3' | C2' | O2' | C1' | 109.5° | 114.0° |
| C3' | C2' | O2' | H2' | 122.0° | 122.9° |
| C3' | C2' | C1' | H2' | 120.2° | 118.2° |
| C3' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C3' | C2' | C1' | N9 | 63.0° | 118.5° |
| C3' | C2' | C1' | H1' | 173.1° | 120.5° |
| H3' | C3' | C2' | O2' | 160.5° | 149.3° |
| H3' | C3' | C2' | C1' | 87.6° | 91.7° |
| H3' | C3' | C2' | H2' | 40.5° | 26.4° |
| O2' | C2' | C1' | H2' | 118.7° | 123.1° |
| O2' | C2' | C1' | N9 | 175.9° | 122.9° |
| O2' | C2' | C1' | H1' | 51.9° | 1.8° |
| C1' | C2' | O2' | HO2' | 70.5° | 66.0° |
| C2' | C1' | N9 | H1' | 122.0° | 121.1° |
| C2' | C1' | N9 | C8 | 62.9° | 89.6° |
| C2' | C1' | N9 | C4 | 121.5° | 90.3° |
| H2' | C2' | O2' | HO2' | 58.0° | 57.0° |
| H2' | C2' | C1' | N9 | 57.2° | 0.3° |
| H2' | C2' | C1' | H1' | 66.7° | 121.3° |
| C1' | N9 | C8 | C4 | 175.6° | 179.9° |
| C1' | N9 | C8 | N7 | 178.4° | 180.0° |
| C1' | N9 | C8 | H8 | 1.6° | 0.0° |
| C1' | N9 | C4 | C5 | 177.1° | 180.0° |
| C1' | N9 | C4 | N3 | 1.7° | 0.1° |
| H1' | C1' | N9 | C8 | 175.0° | 149.3° |
| H1' | C1' | N9 | C4 | 0.5° | 30.8° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 2.9° | 0.0° |
| C8 | N9 | C4 | C5 | 6.0° | 0.1° |
| C8 | N9 | C4 | N3 | 178.5° | 180.0° |
| C4 | N9 | C8 | N7 | 6.0° | 0.1° |
| C4 | N9 | C8 | H8 | 174.0° | 180.0° |
| N9 | C4 | C5 | N7 | 4.5° | 0.1° |
| N9 | C4 | C5 | C6 | 177.2° | 180.0° |
| N9 | C4 | C5 | N3 | 174.9° | 179.9° |
| N9 | C4 | N3 | C2 | 172.5° | 180.0° |
| C8 | N7 | C5 | C6 | 179.2° | 179.9° |
| C8 | N7 | C5 | C4 | 1.1° | 0.0° |
| H8 | C8 | N7 | C5 | 177.1° | 180.0° |
| N7 | C5 | C6 | C4 | 178.0° | 179.9° |
| N7 | C5 | C6 | O6 | 2.5° | 0.1° |
| N7 | C5 | C6 | N1 | 177.7° | 179.7° |
| N7 | C5 | C4 | N3 | 179.4° | 180.0° |
| C5 | C6 | O6 | N1 | 179.8° | 179.8° |
| C5 | C6 | N1 | C2 | 3.4° | 0.5° |
| C5 | C6 | N1 | HN1 | 176.7° | 179.9° |
| C6 | C5 | C4 | N3 | 2.3° | 0.1° |
| C4 | C5 | C6 | O6 | 175.5° | 180.0° |
| C4 | C5 | C6 | N1 | 4.3° | 0.2° |
| C5 | C4 | N3 | C2 | 1.5° | 0.1° |
| O6 | C6 | N1 | C2 | 176.4° | 179.7° |
| O6 | C6 | N1 | HN1 | 3.5° | 0.3° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.5° |
| C6 | N1 | C2 | N2 | 178.5° | 179.7° |
| C6 | N1 | C2 | N3 | 0.3° | 0.5° |
| N1 | C2 | N2 | N3 | 178.3° | 179.8° |
| N1 | C2 | N2 | HN21 | 180.0° | 179.7° |
| N1 | C2 | N2 | HN22 | 54.7° | 0.5° |
| N1 | C2 | N3 | C4 | 2.8° | 0.2° |
| HN1 | N1 | C2 | N2 | 1.5° | 0.2° |
| HN1 | N1 | C2 | N3 | 179.6° | 180.0° |
| C2 | N2 | HN21 | HN22 | 125.3° | 179.8° |
| N2 | C2 | N3 | C4 | 179.2° | 180.0° |
| N3 | C2 | N2 | HN21 | 1.7° | 0.1° |
| N3 | C2 | N2 | HN22 | 127.0° | 179.7° |
