P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.37Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.29Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.36Å | 1.39Å | |
| N1 | C2 | sing | 1.36Å | 1.49Å | |
| N1 | C8A | sing | 1.46Å | 1.48Å | |
| C2 | N2 | sing | 1.38Å | 1.39Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | |
| N2 | C6A | sing | 1.47Å | 1.47Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å | |
| C6A | C7A | sing | 1.54Å | 1.52Å | |
| C6A | H6A1 | sing | 1.09Å | 1.10Å | |
| C6A | H6A2 | sing | 1.09Å | 1.10Å | |
| C7A | C8A | sing | 1.53Å | 1.52Å | |
| C7A | H7A1 | sing | 1.09Å | 1.10Å | |
| C7A | H7A2 | sing | 1.09Å | 1.10Å | |
| C8A | H8A1 | sing | 1.09Å | 1.10Å | |
| C8A | H8A2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.9° | 109.5° |
| OP1 | P | OP3 | 108.1° | 109.4° |
| OP1 | P | O5' | 108.2° | 109.4° |
| OP2 | P | OP3 | 108.6° | 109.5° |
| OP2 | P | O5' | 108.1° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP3 | P | O5' | 102.5° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | O5' | C5' | 120.1° | 123.0° |
| O5' | C5' | C4' | 111.6° | 109.5° |
| O5' | C5' | H5' | 108.8° | 109.5° |
| O5' | C5' | H5'' | 108.3° | 109.5° |
| C4' | C5' | H5' | 108.8° | 109.5° |
| C4' | C5' | H5'' | 108.3° | 109.5° |
| C5' | C4' | O4' | 110.6° | 110.6° |
| C5' | C4' | C3' | 110.5° | 110.6° |
| C5' | C4' | H4' | 107.7° | 110.5° |
| H5' | C5' | H5'' | 111.1° | 109.4° |
| O4' | C4' | C3' | 108.4° | 103.5° |
| O4' | C4' | H4' | 109.8° | 110.6° |
| C4' | O4' | C1' | 110.5° | 107.0° |
| C3' | C4' | H4' | 109.9° | 110.8° |
| C4' | C3' | O3' | 110.9° | 110.9° |
| C4' | C3' | C2' | 105.9° | 102.1° |
| C4' | C3' | H3' | 111.5° | 110.9° |
| O4' | C1' | C2' | 107.7° | 107.3° |
| O4' | C1' | N9 | 110.8° | 109.9° |
| O4' | C1' | H1' | 110.1° | 109.9° |
| O3' | C3' | C2' | 111.3° | 110.9° |
| O3' | C3' | H3' | 106.2° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 111.1° | 110.9° |
| C3' | C2' | C1' | 107.1° | 104.2° |
| C3' | C2' | H2' | 110.3° | 110.5° |
| C3' | C2' | H2'' | 110.8° | 110.5° |
| C1' | C2' | H2' | 110.2° | 110.5° |
| C1' | C2' | H2'' | 110.8° | 110.5° |
| C2' | C1' | N9 | 110.4° | 109.9° |
| C2' | C1' | H1' | 110.5° | 109.9° |
| H2' | C2' | H2'' | 107.7° | 110.5° |
| N9 | C1' | H1' | 107.4° | 109.9° |
| C1' | N9 | C8 | 129.3° | 126.2° |
| C1' | N9 | C4 | 126.9° | 126.3° |
| C8 | N9 | C4 | 103.8° | 107.5° |
| N9 | C8 | N7 | 117.6° | 109.8° |
| N9 | C8 | H8 | 121.2° | 125.1° |
| N9 | C4 | C5 | 106.3° | 106.1° |
| N9 | C4 | N3 | 125.4° | 134.3° |
| N7 | C8 | H8 | 121.2° | 125.1° |
| C8 | N7 | C5 | 101.9° | 109.4° |
| N7 | C5 | C6 | 129.1° | 134.3° |
| N7 | C5 | C4 | 110.4° | 107.3° |
| C6 | C5 | C4 | 120.5° | 118.4° |
| C5 | C6 | O6 | 127.1° | 120.7° |
| C5 | C6 | N1 | 113.4° | 118.8° |
| C5 | C4 | N3 | 128.4° | 119.5° |
| O6 | C6 | N1 | 119.6° | 120.6° |
| C6 | N1 | C2 | 121.8° | 120.0° |
| C6 | N1 | C8A | 118.2° | 118.0° |
| C2 | N1 | C8A | 120.0° | 122.0° |
| N1 | C2 | N2 | 118.4° | 120.9° |
| N1 | C2 | N3 | 122.3° | 121.4° |
| N1 | C8A | C7A | 112.3° | 110.6° |
| N1 | C8A | H8A1 | 108.5° | 109.2° |
| N1 | C8A | H8A2 | 107.9° | 109.3° |
| N2 | C2 | N3 | 119.3° | 117.6° |
| C2 | N2 | C6A | 120.8° | 119.2° |
| C2 | N2 | H2 | 119.6° | 120.4° |
| C2 | N3 | C4 | 113.7° | 121.7° |
| C6A | N2 | H2 | 119.6° | 120.4° |
| N2 | C6A | C7A | 109.2° | 107.4° |
| N2 | C6A | H6A1 | 109.6° | 109.9° |
| N2 | C6A | H6A2 | 109.6° | 109.9° |
| C7A | C6A | H6A1 | 109.6° | 109.9° |
| C7A | C6A | H6A2 | 109.6° | 109.8° |
| C6A | C7A | C8A | 109.4° | 108.2° |
| C6A | C7A | H7A1 | 109.5° | 109.7° |
| C6A | C7A | H7A2 | 109.5° | 109.8° |
| H6A1 | C6A | H6A2 | 109.3° | 109.9° |
| C8A | C7A | H7A1 | 109.5° | 109.7° |
| C8A | C7A | H7A2 | 109.5° | 109.7° |
| C7A | C8A | H8A1 | 108.6° | 109.2° |
| C7A | C8A | H8A2 | 107.9° | 109.3° |
| H7A1 | C7A | H7A2 | 109.4° | 109.7° |
| H8A1 | C8A | H8A2 | 111.7° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 124.9° | 120.0° |
| OP1 | P | OP2 | O5' | 124.5° | 120.0° |
| OP1 | P | OP3 | O5' | 114.1° | 119.9° |
| OP1 | P | OP2 | HOP2 | 103.8° | 180.0° |
| OP1 | P | OP3 | HOP3 | 14.8° | 60.1° |
| OP1 | P | O5' | C5' | 54.0° | 55.1° |
| OP2 | P | OP3 | O5' | 114.3° | 120.1° |
| OP2 | P | OP3 | HOP3 | 116.8° | 59.9° |
| OP2 | P | O5' | C5' | 174.7° | 64.9° |
| OP3 | P | OP2 | HOP2 | 21.1° | 60.0° |
| OP3 | P | O5' | C5' | 60.1° | 175.0° |
| O5' | P | OP2 | HOP2 | 131.6° | 60.1° |
| O5' | P | OP3 | HOP3 | 129.0° | 180.0° |
| P | O5' | C5' | C4' | 169.0° | 180.0° |
| P | O5' | C5' | H5' | 71.0° | 60.0° |
| P | O5' | C5' | H5'' | 49.9° | 59.9° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.1° | 120.0° |
| O5' | C5' | H5' | H5'' | 119.1° | 120.0° |
| O5' | C5' | C4' | O4' | 58.5° | 66.4° |
| O5' | C5' | C4' | C3' | 61.6° | 179.5° |
| O5' | C5' | C4' | H4' | 178.4° | 56.5° |
| C4' | C5' | H5' | H5'' | 119.1° | 120.0° |
| C5' | C4' | O4' | C3' | 121.3° | 118.5° |
| C5' | C4' | O4' | H4' | 118.7° | 122.8° |
| C5' | C4' | C3' | H4' | 118.6° | 122.9° |
| C5' | C4' | O4' | C1' | 120.5° | 158.6° |
| C5' | C4' | C3' | O3' | 115.3° | 86.3° |
| C5' | C4' | C3' | C2' | 123.9° | 155.6° |
| C5' | C4' | C3' | H3' | 2.9° | 37.3° |
| H5' | C5' | C4' | O4' | 178.5° | 53.6° |
| H5' | C5' | C4' | C3' | 58.4° | 60.5° |
| H5' | C5' | C4' | H4' | 61.6° | 176.5° |
| H5'' | C5' | C4' | O4' | 60.6° | 173.6° |
| H5'' | C5' | C4' | C3' | 179.3° | 59.5° |
| H5'' | C5' | C4' | H4' | 59.3° | 63.6° |
| O4' | C4' | C3' | H4' | 120.0° | 118.6° |
| O4' | C4' | C3' | O3' | 123.3° | 155.2° |
| O4' | C4' | C3' | C2' | 2.5° | 37.0° |
| O4' | C4' | C3' | H3' | 118.6° | 81.2° |
| C4' | O4' | C1' | C2' | 3.8° | 26.5° |
| C4' | O4' | C1' | N9 | 117.1° | 145.9° |
| C4' | O4' | C1' | H1' | 124.3° | 93.0° |
| C3' | C4' | O4' | C1' | 0.8° | 40.1° |
| C4' | C3' | O3' | C2' | 117.6° | 112.7° |
| C4' | C3' | O3' | H3' | 121.3° | 123.6° |
| C4' | C3' | C2' | H3' | 121.3° | 118.2° |
| C4' | C3' | O3' | HO3' | 174.5° | 180.0° |
| C4' | C3' | C2' | C1' | 4.7° | 20.9° |
| C4' | C3' | C2' | H2' | 124.7° | 139.6° |
| C4' | C3' | C2' | H2'' | 116.2° | 97.8° |
| H4' | C4' | O4' | C1' | 120.9° | 78.6° |
| H4' | C4' | C3' | O3' | 3.4° | 36.6° |
| H4' | C4' | C3' | C2' | 117.5° | 81.5° |
| H4' | C4' | C3' | H3' | 121.5° | 160.2° |
| O4' | C1' | C2' | C3' | 5.3° | 2.0° |
| O4' | C1' | C2' | N9 | 121.1° | 119.4° |
| O4' | C1' | C2' | H1' | 120.3° | 119.5° |
| O4' | C1' | C2' | H2' | 125.3° | 116.6° |
| O4' | C1' | C2' | H2'' | 115.6° | 120.7° |
| O4' | C1' | N9 | H1' | 120.2° | 121.1° |
| O4' | C1' | N9 | C8 | 65.7° | 23.6° |
| O4' | C1' | N9 | C4 | 115.6° | 156.8° |
| O3' | C3' | C2' | H3' | 118.1° | 123.6° |
| O3' | C3' | C2' | C1' | 125.3° | 139.1° |
| O3' | C3' | C2' | H2' | 114.8° | 102.2° |
| O3' | C3' | C2' | H2'' | 4.3° | 20.4° |
| C2' | C3' | O3' | HO3' | 67.8° | 67.3° |
| C3' | C2' | C1' | H2' | 120.0° | 118.7° |
| C3' | C2' | C1' | H2'' | 120.9° | 118.7° |
| C3' | C2' | H2' | H2'' | 120.9° | 122.6° |
| C3' | C2' | C1' | N9 | 115.8° | 121.5° |
| C3' | C2' | C1' | H1' | 125.5° | 117.4° |
| H3' | C3' | O3' | HO3' | 53.2° | 56.4° |
| H3' | C3' | C2' | C1' | 116.6° | 97.3° |
| H3' | C3' | C2' | H2' | 3.4° | 21.4° |
| H3' | C3' | C2' | H2'' | 122.5° | 144.0° |
| C1' | C2' | H2' | H2'' | 121.0° | 122.6° |
| C2' | C1' | N9 | H1' | 120.5° | 121.1° |
| C2' | C1' | N9 | C8 | 53.6° | 94.3° |
| C2' | C1' | N9 | C4 | 125.1° | 85.4° |
| H2' | C2' | C1' | N9 | 4.1° | 2.8° |
| H2' | C2' | C1' | H1' | 114.5° | 123.9° |
| H2'' | C2' | C1' | N9 | 123.2° | 119.8° |
| H2'' | C2' | C1' | H1' | 4.6° | 1.3° |
| C1' | N9 | C8 | C4 | 179.0° | 179.7° |
| C1' | N9 | C8 | N7 | 179.0° | 179.8° |
| C1' | N9 | C8 | H8 | 1.0° | 0.2° |
| C1' | N9 | C4 | C5 | 179.0° | 179.7° |
| C1' | N9 | C4 | N3 | 0.9° | 1.8° |
| H1' | C1' | N9 | C8 | 174.1° | 144.7° |
| H1' | C1' | N9 | C4 | 4.6° | 35.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.0° | 0.0° |
| C8 | N9 | C4 | N3 | 179.9° | 178.5° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | H8 | 180.0° | 179.9° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.9° | 179.6° |
| N9 | C4 | C5 | N3 | 179.9° | 178.7° |
| N9 | C4 | N3 | C2 | 179.7° | 179.8° |
| C8 | N7 | C5 | C6 | 179.9° | 179.5° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| H8 | C8 | N7 | C5 | 179.9° | 179.9° |
| N7 | C5 | C6 | C4 | 180.0° | 179.5° |
| N7 | C5 | C6 | O6 | 0.1° | 1.9° |
| N7 | C5 | C6 | N1 | 179.9° | 178.1° |
| N7 | C5 | C4 | N3 | 180.0° | 178.8° |
| C5 | C6 | O6 | N1 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.0° | 4.6° |
| C5 | C6 | N1 | C8A | 179.5° | 173.7° |
| C6 | C5 | C4 | N3 | 0.0° | 1.6° |
| C4 | C5 | C6 | O6 | 179.9° | 178.6° |
| C4 | C5 | C6 | N1 | 0.1° | 1.4° |
| C5 | C4 | N3 | C2 | 0.1° | 1.5° |
| O6 | C6 | N1 | C2 | 179.9° | 175.4° |
| O6 | C6 | N1 | C8A | 0.5° | 6.3° |
| C6 | N1 | C2 | C8A | 179.5° | 178.3° |
| C6 | N1 | C2 | N2 | 179.9° | 173.8° |
| C6 | N1 | C2 | N3 | 0.2° | 4.9° |
| C6 | N1 | C8A | C7A | 158.8° | 155.0° |
| C6 | N1 | C8A | H8A1 | 38.8° | 34.8° |
| C6 | N1 | C8A | H8A2 | 82.4° | 84.7° |
| N1 | C2 | N2 | N3 | 179.9° | 178.7° |
| N1 | C2 | N2 | C6A | 11.5° | 17.9° |
| N1 | C2 | N2 | H2 | 168.6° | 162.1° |
| N1 | C2 | N3 | C4 | 0.2° | 1.8° |
| C2 | N1 | C8A | C7A | 21.7° | 26.7° |
| C2 | N1 | C8A | H8A1 | 141.7° | 146.9° |
| C2 | N1 | C8A | H8A2 | 97.2° | 93.6° |
| C8A | N1 | C2 | N2 | 0.4° | 7.9° |
| C8A | N1 | C2 | N3 | 179.7° | 173.4° |
| N1 | C8A | C7A | C6A | 51.9° | 52.8° |
| N1 | C8A | C7A | H8A1 | 120.0° | 120.2° |
| N1 | C8A | C7A | H8A2 | 118.8° | 120.3° |
| N1 | C8A | C7A | H7A1 | 171.9° | 172.5° |
| N1 | C8A | C7A | H7A2 | 68.1° | 66.9° |
| N1 | C8A | H8A1 | H8A2 | 118.8° | 119.5° |
| C2 | N2 | C6A | H2 | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 179.8° | 177.0° |
| C2 | N2 | C6A | C7A | 42.3° | 44.6° |
| C2 | N2 | C6A | H6A1 | 77.7° | 74.8° |
| C2 | N2 | C6A | H6A2 | 162.4° | 164.1° |
| N3 | C2 | N2 | C6A | 168.6° | 163.4° |
| N3 | C2 | N2 | H2 | 11.4° | 16.6° |
| N2 | C6A | C7A | H6A1 | 120.0° | 119.5° |
| N2 | C6A | C7A | H6A2 | 120.1° | 119.5° |
| N2 | C6A | H6A1 | H6A2 | 120.1° | 121.1° |
| N2 | C6A | C7A | C8A | 61.6° | 61.2° |
| N2 | C6A | C7A | H7A1 | 178.3° | 179.2° |
| N2 | C6A | C7A | H7A2 | 58.4° | 58.6° |
| H2 | N2 | C6A | C7A | 137.7° | 135.3° |
| H2 | N2 | C6A | H6A1 | 102.3° | 105.2° |
| H2 | N2 | C6A | H6A2 | 17.6° | 15.9° |
| C7A | C6A | H6A1 | H6A2 | 120.1° | 121.0° |
| C6A | C7A | C8A | H7A1 | 120.0° | 119.6° |
| C6A | C7A | C8A | H7A2 | 120.0° | 119.7° |
| C6A | C7A | H7A1 | H7A2 | 120.0° | 120.6° |
| C6A | C7A | C8A | H8A1 | 171.9° | 173.1° |
| C6A | C7A | C8A | H8A2 | 66.9° | 67.5° |
| H6A1 | C6A | C7A | C8A | 58.4° | 58.3° |
| H6A1 | C6A | C7A | H7A1 | 61.6° | 61.4° |
| H6A1 | C6A | C7A | H7A2 | 178.4° | 178.0° |
| H6A2 | C6A | C7A | C8A | 178.2° | 179.4° |
| H6A2 | C6A | C7A | H7A1 | 58.2° | 59.7° |
| H6A2 | C6A | C7A | H7A2 | 61.7° | 60.9° |
| C8A | C7A | H7A1 | H7A2 | 120.1° | 120.6° |
| C7A | C8A | H8A1 | H8A2 | 118.8° | 119.4° |
| H7A1 | C7A | C8A | H8A1 | 68.1° | 67.3° |
| H7A1 | C7A | C8A | H8A2 | 53.1° | 52.1° |
| H7A2 | C7A | C8A | H8A1 | 51.9° | 53.3° |
| H7A2 | C7A | C8A | H8A2 | 173.1° | 172.8° |
