Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| 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 | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.54Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.54Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.46Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.34Å | 1.39Å | |
| N3 | C4 | sing | 1.35Å | 1.40Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.51Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.1° | 109.4° |
| OP1 | P | OP3 | 109.6° | 109.5° |
| OP1 | P | O5' | 110.8° | 109.5° |
| OP2 | P | OP3 | 108.6° | 109.4° |
| OP2 | P | O5' | 106.8° | 109.4° |
| P | OP2 | HOP2 | 119.1° | 106.7° |
| OP3 | P | O5' | 100.3° | 109.5° |
| P | OP3 | HOP3 | 109.6° | 106.8° |
| P | O5' | C5' | 123.4° | 106.8° |
| O5' | C5' | C4' | 111.2° | 109.6° |
| O5' | C5' | H5' | 111.6° | 109.5° |
| O5' | C5' | H5'' | 111.5° | 109.5° |
| C4' | C5' | H5' | 111.6° | 109.5° |
| C4' | C5' | H5'' | 111.6° | 109.4° |
| C5' | C4' | O4' | 111.0° | 110.4° |
| C5' | C4' | C3' | 114.9° | 110.7° |
| C5' | C4' | H4' | 103.6° | 110.3° |
| H5' | C5' | H5'' | 98.8° | 109.5° |
| O4' | C4' | C3' | 106.3° | 104.7° |
| O4' | C4' | H4' | 112.7° | 110.3° |
| C4' | O4' | C1' | 110.8° | 105.4° |
| C3' | C4' | H4' | 108.5° | 110.2° |
| C4' | C3' | O3' | 107.7° | 110.5° |
| C4' | C3' | C2' | 101.2° | 104.2° |
| C4' | C3' | H3' | 116.3° | 110.5° |
| O4' | C1' | C2' | 103.2° | 104.8° |
| O4' | C1' | N1 | 109.4° | 110.5° |
| O4' | C1' | H1' | 114.0° | 110.4° |
| O3' | C3' | C2' | 111.4° | 110.5° |
| O3' | C3' | H3' | 107.1° | 110.5° |
| C3' | O3' | HO3' | 107.8° | 106.9° |
| C2' | C3' | H3' | 113.0° | 110.5° |
| C3' | C2' | O2' | 117.5° | 110.5° |
| C3' | C2' | C1' | 103.4° | 104.1° |
| C3' | C2' | H2' | 108.6° | 110.5° |
| O2' | C2' | C1' | 110.2° | 110.7° |
| O2' | C2' | H2' | 101.6° | 110.4° |
| C2' | O2' | HO2' | 117.5° | 106.9° |
| C1' | C2' | H2' | 116.1° | 110.5° |
| C2' | C1' | N1 | 110.9° | 110.4° |
| C2' | C1' | H1' | 112.6° | 110.3° |
| N1 | C1' | H1' | 106.7° | 110.4° |
| C1' | N1 | C2 | 119.7° | 119.6° |
| C1' | N1 | C6 | 119.8° | 119.5° |
| C2 | N1 | C6 | 120.4° | 120.9° |
| N1 | C2 | O2 | 124.3° | 119.2° |
| N1 | C2 | N3 | 114.2° | 121.7° |
| N1 | C6 | C5 | 110.2° | 109.5° |
| N1 | C6 | H61 | 111.9° | 109.5° |
| N1 | C6 | H62 | 112.0° | 109.5° |
| O2 | C2 | N3 | 121.5° | 119.2° |
| C2 | N3 | C4 | 126.1° | 120.9° |
| C2 | N3 | HN3 | 116.6° | 119.6° |
| C4 | N3 | HN3 | 117.2° | 119.5° |
| N3 | C4 | O4 | 121.5° | 120.1° |
| N3 | C4 | C5 | 113.8° | 120.0° |
| O4 | C4 | C5 | 124.7° | 120.0° |
| C4 | C5 | C6 | 107.3° | 109.2° |
| C4 | C5 | H51 | 113.1° | 109.6° |
| C4 | C5 | H52 | 113.1° | 109.5° |
| C6 | C5 | H51 | 113.0° | 109.5° |
| C6 | C5 | H52 | 113.0° | 109.5° |
| C5 | C6 | H61 | 112.0° | 109.4° |
| C5 | C6 | H62 | 112.0° | 109.5° |
| H51 | C5 | H52 | 97.4° | 109.5° |
| H61 | C6 | H62 | 98.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 126.3° | 120.0° |
| OP1 | P | OP2 | O5' | 126.3° | 120.0° |
| OP1 | P | OP3 | O5' | 116.6° | 120.1° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 25.9° | 60.0° |
| OP2 | P | OP3 | O5' | 111.8° | 119.9° |
| OP2 | P | OP3 | HOP3 | 48.4° | 60.0° |
| OP2 | P | O5' | C5' | 105.2° | 180.0° |
| OP3 | P | OP2 | HOP2 | 53.7° | 60.0° |
| OP3 | P | O5' | C5' | 141.6° | 60.1° |
| O5' | P | OP2 | HOP2 | 53.7° | 180.0° |
| O5' | P | OP3 | HOP3 | 63.4° | 59.9° |
| P | O5' | C5' | C4' | 167.8° | 180.0° |
| P | O5' | C5' | H5' | 42.5° | 60.0° |
| P | O5' | C5' | H5'' | 66.9° | 60.0° |
| O5' | C5' | C4' | H5' | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
| O5' | C5' | H5' | H5'' | 117.4° | 120.0° |
| O5' | C5' | C4' | O4' | 59.6° | 61.4° |
| O5' | C5' | C4' | C3' | 61.0° | 176.9° |
| O5' | C5' | C4' | H4' | 179.3° | 60.8° |
| C4' | C5' | H5' | H5'' | 117.5° | 119.9° |
| C5' | C4' | O4' | C3' | 125.6° | 119.2° |
| C5' | C4' | O4' | H4' | 115.6° | 122.2° |
| C5' | C4' | C3' | H4' | 115.4° | 122.4° |
| C5' | C4' | O4' | C1' | 125.4° | 159.5° |
| C5' | C4' | C3' | O3' | 143.0° | 98.6° |
| C5' | C4' | C3' | C2' | 100.0° | 142.8° |
| C5' | C4' | C3' | H3' | 22.9° | 24.0° |
| H5' | C5' | C4' | O4' | 175.1° | 178.5° |
| H5' | C5' | C4' | C3' | 64.2° | 63.1° |
| H5' | C5' | C4' | H4' | 54.0° | 59.3° |
| H5'' | C5' | C4' | O4' | 65.7° | 58.6° |
| H5'' | C5' | C4' | C3' | 173.7° | 56.9° |
| H5'' | C5' | C4' | H4' | 55.5° | 179.2° |
| O4' | C4' | C3' | H4' | 121.4° | 118.7° |
| O4' | C4' | C3' | O3' | 93.8° | 142.5° |
| O4' | C4' | C3' | C2' | 23.1° | 23.8° |
| O4' | C4' | C3' | H3' | 146.0° | 94.9° |
| C4' | O4' | C1' | C2' | 23.2° | 40.4° |
| C4' | O4' | C1' | N1 | 141.3° | 159.3° |
| C4' | O4' | C1' | H1' | 99.2° | 78.3° |
| C3' | C4' | O4' | C1' | 0.2° | 40.3° |
| C4' | C3' | O3' | C2' | 110.2° | 114.8° |
| C4' | C3' | O3' | H3' | 125.8° | 122.6° |
| C4' | C3' | C2' | H3' | 125.1° | 118.7° |
| C4' | C3' | O3' | HO3' | 179.9° | 178.1° |
| C4' | C3' | C2' | O2' | 158.3° | 118.9° |
| C4' | C3' | C2' | C1' | 36.7° | 0.1° |
| C4' | C3' | C2' | H2' | 87.2° | 118.6° |
| H4' | C4' | O4' | C1' | 119.0° | 78.3° |
| H4' | C4' | C3' | O3' | 27.6° | 23.8° |
| H4' | C4' | C3' | C2' | 144.6° | 94.9° |
| H4' | C4' | C3' | H3' | 92.5° | 146.4° |
| O4' | C1' | C2' | C3' | 37.3° | 24.0° |
| O4' | C1' | C2' | O2' | 163.7° | 142.7° |
| O4' | C1' | C2' | N1 | 117.1° | 118.9° |
| O4' | C1' | C2' | H1' | 123.3° | 118.8° |
| O4' | C1' | C2' | H2' | 81.5° | 94.7° |
| O4' | C1' | N1 | H1' | 123.8° | 122.4° |
| O4' | C1' | N1 | C2 | 118.8° | 55.1° |
| O4' | C1' | N1 | C6 | 58.3° | 124.6° |
| O3' | C3' | C2' | H3' | 120.6° | 122.6° |
| O3' | C3' | C2' | O2' | 44.0° | 0.2° |
| O3' | C3' | C2' | C1' | 77.6° | 118.7° |
| O3' | C3' | C2' | H2' | 158.5° | 122.7° |
| C2' | C3' | O3' | HO3' | 69.9° | 63.3° |
| C3' | C2' | O2' | C1' | 118.0° | 114.8° |
| C3' | C2' | O2' | H2' | 118.3° | 122.5° |
| C3' | C2' | C1' | H2' | 118.8° | 118.6° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | N1 | 154.4° | 142.9° |
| C3' | C2' | C1' | H1' | 86.0° | 94.8° |
| H3' | C3' | O3' | HO3' | 54.2° | 59.3° |
| H3' | C3' | C2' | O2' | 76.6° | 122.4° |
| H3' | C3' | C2' | C1' | 161.8° | 118.7° |
| H3' | C3' | C2' | H2' | 37.9° | 0.1° |
| O2' | C2' | C1' | H2' | 114.8° | 122.6° |
| O2' | C2' | C1' | N1 | 79.2° | 98.4° |
| O2' | C2' | C1' | H1' | 40.3° | 23.9° |
| C1' | C2' | O2' | HO2' | 62.0° | 176.2° |
| C2' | C1' | N1 | H1' | 123.0° | 122.2° |
| C2' | C1' | N1 | C2 | 128.0° | 60.2° |
| C2' | C1' | N1 | C6 | 54.8° | 120.0° |
| H2' | C2' | O2' | HO2' | 61.7° | 61.2° |
| H2' | C2' | C1' | N1 | 35.6° | 24.2° |
| H2' | C2' | C1' | H1' | 155.2° | 146.5° |
| C1' | N1 | C2 | C6 | 177.1° | 179.7° |
| C1' | N1 | C2 | O2 | 4.2° | 6.0° |
| C1' | N1 | C2 | N3 | 177.4° | 174.5° |
| C1' | N1 | C6 | C5 | 142.4° | 144.2° |
| C1' | N1 | C6 | H61 | 17.2° | 95.9° |
| C1' | N1 | C6 | H62 | 92.3° | 24.1° |
| H1' | C1' | N1 | C2 | 5.0° | 177.5° |
| H1' | C1' | N1 | C6 | 177.9° | 2.2° |
| N1 | C2 | O2 | N3 | 178.3° | 179.5° |
| N1 | C2 | N3 | C4 | 11.4° | 12.5° |
| N1 | C2 | N3 | HN3 | 168.6° | 167.7° |
| C2 | N1 | C6 | C5 | 34.7° | 35.6° |
| C2 | N1 | C6 | H61 | 160.0° | 84.4° |
| C2 | N1 | C6 | H62 | 90.6° | 155.6° |
| C6 | N1 | C2 | O2 | 178.7° | 174.3° |
| C6 | N1 | C2 | N3 | 0.3° | 5.2° |
| N1 | C6 | C5 | C4 | 58.7° | 46.7° |
| N1 | C6 | C5 | H61 | 125.2° | 120.0° |
| N1 | C6 | C5 | H62 | 125.3° | 120.0° |
| N1 | C6 | C5 | H51 | 176.0° | 166.6° |
| N1 | C6 | C5 | H52 | 66.6° | 73.2° |
| N1 | C6 | H61 | H62 | 117.9° | 120.0° |
| O2 | C2 | N3 | C4 | 170.2° | 168.0° |
| O2 | C2 | N3 | HN3 | 9.8° | 11.8° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 163.1° | 175.8° |
| C2 | N3 | C4 | C5 | 16.0° | 4.2° |
| N3 | C4 | O4 | C5 | 179.0° | 180.0° |
| N3 | C4 | C5 | C6 | 50.0° | 34.2° |
| N3 | C4 | C5 | H51 | 175.3° | 154.2° |
| N3 | C4 | C5 | H52 | 75.2° | 85.7° |
| HN3 | N3 | C4 | O4 | 17.0° | 4.4° |
| HN3 | N3 | C4 | C5 | 164.0° | 175.6° |
| O4 | C4 | C5 | C6 | 129.0° | 145.8° |
| O4 | C4 | C5 | H51 | 3.7° | 25.9° |
| O4 | C4 | C5 | H52 | 105.7° | 94.3° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 119.9° |
| C4 | C5 | H51 | H52 | 119.0° | 120.2° |
| C4 | C5 | C6 | H61 | 176.1° | 73.4° |
| C4 | C5 | C6 | H62 | 66.6° | 166.7° |
| C6 | C5 | H51 | H52 | 118.9° | 120.1° |
| C5 | C6 | H61 | H62 | 117.9° | 120.0° |
| H51 | C5 | C6 | H61 | 50.7° | 46.6° |
| H51 | C5 | C6 | H62 | 58.7° | 73.3° |
| H52 | C5 | C6 | H61 | 58.6° | 166.7° |
| H52 | C5 | C6 | H62 | 168.1° | 46.8° |
