Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.62Å | 9.77Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.61Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.44Å | |
| C5' | C4' | sing | 1.52Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.52Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.51Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.41Å | 1.44Å | |
| C2' | C1' | sing | 1.52Å | 1.52Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.43Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.42Å | 1.39Å | |
| N1 | C6 | sing | 1.39Å | 1.36Å | |
| C2 | O2 | doub | 1.23Å | 1.23Å | |
| C2 | N3 | sing | 1.38Å | 1.36Å | |
| N3 | C4 | doub | 1.31Å | 1.34Å | |
| C4 | N4 | sing | 1.38Å | 1.33Å | |
| C4 | C5 | sing | 1.49Å | 1.43Å | |
| N4 | H41 | sing | 0.99Å | 1.00Å | |
| N4 | H42 | sing | 0.99Å | 1.00Å | |
| C5 | C6 | doub | 1.33Å | 1.34Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 169.4° | 119.0° |
| OP3 | P | OP1 | 169.4° | 115.3° |
| OP3 | P | OP2 | 70.0° | 103.3° |
| OP3 | P | O5' | 62.9° | 103.8° |
| OP1 | P | OP2 | 119.7° | 114.9° |
| OP1 | P | O5' | 108.2° | 115.0° |
| OP2 | P | O5' | 108.1° | 102.9° |
| P | OP2 | HOP2 | 109.5° | 119.0° |
| P | O5' | C5' | 120.0° | 118.5° |
| O5' | C5' | C4' | 111.8° | 108.6° |
| O5' | C5' | H5' | 108.2° | 109.2° |
| O5' | C5' | H5'' | 108.7° | 109.3° |
| C4' | C5' | H5' | 108.2° | 110.1° |
| C4' | C5' | H5'' | 108.7° | 110.1° |
| C5' | C4' | O4' | 110.1° | 108.2° |
| C5' | C4' | C3' | 112.1° | 113.3° |
| C5' | C4' | H4' | 106.8° | 109.3° |
| H5' | C5' | H5'' | 111.3° | 109.6° |
| O4' | C4' | C3' | 107.7° | 105.9° |
| O4' | C4' | H4' | 111.1° | 107.7° |
| C4' | O4' | C1' | 109.7° | 109.2° |
| C3' | C4' | H4' | 109.1° | 112.2° |
| C4' | C3' | O3' | 110.9° | 107.9° |
| C4' | C3' | C2' | 105.8° | 102.1° |
| C4' | C3' | H3' | 111.5° | 114.5° |
| O4' | C1' | C2' | 107.3° | 106.5° |
| O4' | C1' | N1 | 109.2° | 109.0° |
| O4' | C1' | H1' | 111.3° | 108.9° |
| O3' | C3' | C2' | 111.2° | 110.3° |
| O3' | C3' | H3' | 106.2° | 107.8° |
| C3' | O3' | HO'3 | 109.5° | 106.4° |
| C2' | C3' | H3' | 111.3° | 114.0° |
| C3' | C2' | O2' | 110.8° | 112.3° |
| C3' | C2' | C1' | 105.2° | 102.0° |
| C3' | C2' | H2' | 111.5° | 110.1° |
| O2' | C2' | C1' | 109.8° | 112.6° |
| O2' | C2' | H2' | 107.1° | 108.6° |
| C2' | O2' | HO2' | 109.5° | 107.1° |
| C1' | C2' | H2' | 112.5° | 111.1° |
| C2' | C1' | N1 | 109.9° | 112.5° |
| C2' | C1' | H1' | 110.5° | 112.6° |
| N1 | C1' | H1' | 108.7° | 107.3° |
| C1' | N1 | C2 | 118.6° | 122.0° |
| C1' | N1 | C6 | 119.7° | 118.7° |
| C2 | N1 | C6 | 121.6° | 119.3° |
| N1 | C2 | O2 | 120.4° | 120.9° |
| N1 | C2 | N3 | 118.0° | 118.9° |
| N1 | C6 | C5 | 120.8° | 122.7° |
| N1 | C6 | H6 | 119.6° | 116.1° |
| O2 | C2 | N3 | 121.6° | 120.2° |
| C2 | N3 | C4 | 120.9° | 121.1° |
| N3 | C4 | N4 | 119.2° | 120.2° |
| N3 | C4 | C5 | 121.2° | 121.6° |
| N4 | C4 | C5 | 119.6° | 118.2° |
| C4 | N4 | H41 | 124.8° | 118.0° |
| C4 | N4 | H42 | 110.4° | 118.1° |
| C4 | C5 | C6 | 117.5° | 116.4° |
| C4 | C5 | H5 | 121.2° | 120.5° |
| H41 | N4 | H42 | 124.8° | 123.9° |
| C6 | C5 | H5 | 121.2° | 123.1° |
| C5 | C6 | H6 | 119.6° | 121.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 155.4° | 120.0° |
| OP3 | P | OP1 | O5' | 31.1° | 120.7° |
| OP3 | P | OP2 | O5' | 50.9° | 107.7° |
| OP3 | P | OP2 | HOP2 | 28.8° | 78.5° |
| OP3 | P | O5' | C5' | 129.2° | 53.2° |
| HOP3 | OP3 | P | OP1 | 179.9° | 48.7° |
| HOP3 | OP3 | P | OP2 | 22.7° | 77.5° |
| HOP3 | OP3 | P | O5' | 146.7° | 175.4° |
| OP1 | P | OP2 | O5' | 124.4° | 125.8° |
| OP1 | P | OP2 | HOP2 | 155.9° | 48.0° |
| OP1 | P | O5' | C5' | 56.9° | 179.9° |
| OP2 | P | O5' | C5' | 74.1° | 54.2° |
| O5' | P | OP2 | HOP2 | 79.7° | 173.8° |
| P | O5' | C5' | C4' | 138.2° | 180.0° |
| P | O5' | C5' | H5' | 19.2° | 59.9° |
| P | O5' | C5' | H5'' | 101.8° | 59.9° |
| O5' | C5' | C4' | H5' | 119.0° | 119.5° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.6° |
| O5' | C5' | H5' | H5'' | 119.4° | 119.6° |
| O5' | C5' | C4' | O4' | 47.7° | 62.4° |
| O5' | C5' | C4' | C3' | 72.1° | 179.5° |
| O5' | C5' | C4' | H4' | 168.4° | 54.6° |
| C4' | C5' | H5' | H5'' | 119.4° | 121.2° |
| C5' | C4' | O4' | C3' | 122.4° | 121.7° |
| C5' | C4' | O4' | H4' | 118.0° | 118.1° |
| C5' | C4' | C3' | H4' | 118.0° | 124.4° |
| C5' | C4' | O4' | C1' | 127.5° | 109.0° |
| C5' | C4' | C3' | O3' | 126.4° | 156.8° |
| C5' | C4' | C3' | C2' | 113.0° | 86.9° |
| C5' | C4' | C3' | H3' | 8.2° | 36.8° |
| H5' | C5' | C4' | O4' | 71.3° | 57.1° |
| H5' | C5' | C4' | C3' | 168.8° | 60.0° |
| H5' | C5' | C4' | H4' | 49.4° | 174.1° |
| H5'' | C5' | C4' | O4' | 167.7° | 178.0° |
| H5'' | C5' | C4' | C3' | 47.8° | 60.9° |
| H5'' | C5' | C4' | H4' | 71.6° | 65.0° |
| O4' | C4' | C3' | H4' | 120.8° | 117.2° |
| O4' | C4' | C3' | O3' | 112.4° | 84.7° |
| O4' | C4' | C3' | C2' | 8.2° | 31.5° |
| O4' | C4' | C3' | H3' | 129.4° | 155.2° |
| C4' | O4' | C1' | C2' | 16.3° | 11.3° |
| C4' | O4' | C1' | N1 | 135.5° | 132.9° |
| C4' | O4' | C1' | H1' | 104.6° | 110.3° |
| C3' | C4' | O4' | C1' | 5.1° | 12.8° |
| C4' | C3' | O3' | C2' | 117.4° | 110.7° |
| C4' | C3' | O3' | H3' | 121.4° | 124.2° |
| C4' | C3' | C2' | H3' | 121.3° | 124.0° |
| C4' | C3' | O3' | HO'3 | 1.2° | 15.2° |
| C4' | C3' | C2' | O2' | 136.1° | 158.0° |
| C4' | C3' | C2' | C1' | 17.5° | 37.1° |
| C4' | C3' | C2' | H2' | 104.7° | 80.9° |
| H4' | C4' | O4' | C1' | 114.5° | 133.0° |
| H4' | C4' | C3' | O3' | 8.3° | 32.5° |
| H4' | C4' | C3' | C2' | 129.0° | 148.7° |
| H4' | C4' | C3' | H3' | 109.8° | 87.6° |
| O4' | C1' | C2' | C3' | 21.0° | 30.7° |
| O4' | C1' | C2' | O2' | 140.2° | 151.3° |
| O4' | C1' | C2' | N1 | 118.6° | 119.3° |
| O4' | C1' | C2' | H1' | 121.4° | 119.3° |
| O4' | C1' | C2' | H2' | 100.6° | 86.6° |
| O4' | C1' | N1 | H1' | 121.5° | 117.7° |
| O4' | C1' | N1 | C2 | 124.5° | 147.8° |
| O4' | C1' | N1 | C6 | 55.0° | 32.3° |
| O3' | C3' | C2' | H3' | 118.2° | 121.5° |
| O3' | C3' | C2' | O2' | 15.6° | 43.5° |
| O3' | C3' | C2' | C1' | 103.0° | 77.4° |
| O3' | C3' | C2' | H2' | 134.8° | 164.6° |
| C2' | C3' | O3' | HO'3 | 116.2° | 95.6° |
| C3' | C2' | O2' | C1' | 115.8° | 114.5° |
| C3' | C2' | O2' | H2' | 121.8° | 122.0° |
| C3' | C2' | C1' | H2' | 121.6° | 117.3° |
| C3' | C2' | O2' | HO2' | 69.5° | 168.8° |
| C3' | C2' | C1' | N1 | 139.6° | 150.0° |
| C3' | C2' | C1' | H1' | 100.4° | 88.5° |
| H3' | C3' | O3' | HO'3 | 122.6° | 139.4° |
| H3' | C3' | C2' | O2' | 102.6° | 78.0° |
| H3' | C3' | C2' | C1' | 138.8° | 161.1° |
| H3' | C3' | C2' | H2' | 16.6° | 43.1° |
| O2' | C2' | C1' | H2' | 119.2° | 122.1° |
| O2' | C2' | C1' | N1 | 101.2° | 89.4° |
| O2' | C2' | C1' | H1' | 18.8° | 32.1° |
| C1' | C2' | O2' | HO2' | 46.2° | 54.3° |
| C2' | C1' | N1 | H1' | 121.0° | 124.4° |
| C2' | C1' | N1 | C2 | 118.0° | 94.4° |
| C2' | C1' | N1 | C6 | 62.5° | 85.6° |
| H2' | C2' | O2' | HO2' | 168.7° | 69.2° |
| H2' | C2' | C1' | N1 | 18.0° | 32.7° |
| H2' | C2' | C1' | H1' | 137.9° | 154.2° |
| C1' | N1 | C2 | C6 | 179.5° | 180.0° |
| C1' | N1 | C2 | O2 | 0.5° | 0.0° |
| C1' | N1 | C2 | N3 | 179.4° | 180.0° |
| C1' | N1 | C6 | C5 | 179.3° | 180.0° |
| C1' | N1 | C6 | H6 | 0.7° | 0.1° |
| H1' | C1' | N1 | C2 | 3.0° | 30.0° |
| H1' | C1' | N1 | C6 | 176.5° | 150.0° |
| N1 | C2 | O2 | N3 | 179.9° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | H6 | 179.8° | 180.0° |
| C6 | N1 | C2 | O2 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | H5 | 179.9° | 179.9° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| C2 | N3 | C4 | N4 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| N3 | C4 | N4 | C5 | 179.8° | 180.0° |
| N3 | C4 | N4 | H41 | 0.0° | 95.0° |
| N3 | C4 | N4 | H42 | 180.0° | 84.9° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | N4 | H41 | H42 | 180.0° | 179.9° |
| N4 | C4 | C5 | C6 | 179.9° | 180.0° |
| N4 | C4 | C5 | H5 | 0.2° | 0.0° |
| C5 | C4 | N4 | H41 | 179.8° | 85.0° |
| C5 | C4 | N4 | H42 | 0.2° | 95.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
