Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.61Å | 35.20Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å | |
| P | OP1 | doub | 1.48Å | 1.51Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| OP2 | HOP2 | 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 | 1.43Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| N1 | C6 | sing | 1.37Å | 1.34Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | |
| C5 | C6 | doub | 1.35Å | 1.39Å | |
| 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 | 90.0° | 106.8° |
| OP3 | P | OP1 | 92.5° | 109.5° |
| OP3 | P | OP2 | 128.4° | 109.5° |
| OP3 | P | O5' | 97.0° | 109.5° |
| OP1 | P | OP2 | 119.3° | 109.5° |
| OP1 | P | O5' | 108.4° | 109.4° |
| OP2 | P | O5' | 108.1° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 106.7° |
| P | O5' | C5' | 121.1° | 106.8° |
| O5' | C5' | C4' | 110.2° | 109.5° |
| O5' | C5' | H5' | 109.2° | 109.4° |
| O5' | C5' | H5'' | 109.0° | 109.5° |
| C4' | C5' | H5' | 109.2° | 109.5° |
| C4' | C5' | H5'' | 109.1° | 109.5° |
| C5' | C4' | O4' | 110.8° | 110.6° |
| C5' | C4' | C3' | 111.7° | 110.6° |
| C5' | C4' | H4' | 106.3° | 110.7° |
| H5' | C5' | H5'' | 110.1° | 109.5° |
| O4' | C4' | C3' | 107.1° | 103.5° |
| O4' | C4' | H4' | 111.0° | 110.6° |
| C4' | O4' | C1' | 108.5° | 107.0° |
| C3' | C4' | H4' | 110.0° | 110.6° |
| C4' | C3' | O3' | 109.7° | 110.9° |
| C4' | C3' | C2' | 105.8° | 102.1° |
| C4' | C3' | H3' | 111.8° | 110.9° |
| O4' | C1' | C2' | 106.2° | 107.3° |
| O4' | C1' | N1 | 113.1° | 109.9° |
| O4' | C1' | H1' | 110.6° | 109.9° |
| O3' | C3' | C2' | 109.8° | 110.9° |
| O3' | C3' | H3' | 108.0° | 110.8° |
| C3' | O3' | HO'3 | 109.5° | 106.8° |
| C2' | C3' | H3' | 111.7° | 111.0° |
| C3' | C2' | O2' | 111.9° | 110.5° |
| C3' | C2' | C1' | 103.4° | 104.2° |
| C3' | C2' | H2' | 112.4° | 110.4° |
| O2' | C2' | C1' | 110.9° | 110.5° |
| O2' | C2' | H2' | 105.1° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 106.8° |
| C1' | C2' | H2' | 113.3° | 110.6° |
| C2' | C1' | N1 | 113.0° | 109.8° |
| C2' | C1' | H1' | 110.7° | 109.9° |
| N1 | C1' | H1' | 103.4° | 110.0° |
| C1' | N1 | C2 | 123.7° | 119.7° |
| C1' | N1 | C6 | 115.9° | 119.7° |
| C2 | N1 | C6 | 120.4° | 120.7° |
| N1 | C2 | O2 | 121.8° | 119.5° |
| N1 | C2 | N3 | 120.1° | 120.9° |
| N1 | C6 | C5 | 120.8° | 119.6° |
| N1 | C6 | H6 | 119.6° | 120.2° |
| O2 | C2 | N3 | 118.1° | 119.6° |
| C2 | N3 | C4 | 120.9° | 120.3° |
| C2 | N3 | H3 | 119.6° | 119.9° |
| C4 | N3 | H3 | 119.5° | 119.9° |
| N3 | C4 | O4 | 120.5° | 120.3° |
| N3 | C4 | C5 | 119.7° | 119.4° |
| O4 | C4 | C5 | 119.8° | 120.3° |
| C4 | C5 | C6 | 118.2° | 119.1° |
| C4 | C5 | H5 | 120.9° | 120.5° |
| C6 | C5 | H5 | 120.9° | 120.4° |
| C5 | C6 | H6 | 119.6° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 137.5° | 120.1° |
| OP3 | P | OP1 | O5' | 98.2° | 120.0° |
| OP3 | P | OP2 | O5' | 115.0° | 120.0° |
| OP3 | P | OP2 | HOP2 | 170.4° | 60.1° |
| OP3 | P | O5' | C5' | 93.6° | 65.0° |
| HOP3 | OP3 | P | OP1 | 90.0° | 180.0° |
| HOP3 | OP3 | P | OP2 | 90.0° | 60.0° |
| HOP3 | OP3 | P | O5' | 90.0° | 60.0° |
| OP1 | P | OP2 | O5' | 124.5° | 119.9° |
| OP1 | P | OP2 | HOP2 | 49.8° | 60.0° |
| OP1 | P | O5' | C5' | 1.3° | 55.0° |
| OP2 | P | O5' | C5' | 132.1° | 175.0° |
| O5' | P | OP2 | HOP2 | 74.7° | 180.0° |
| P | O5' | C5' | C4' | 139.1° | 180.0° |
| P | O5' | C5' | H5' | 19.1° | 60.0° |
| P | O5' | C5' | H5'' | 101.2° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.7° | 120.0° |
| O5' | C5' | H5' | H5'' | 119.7° | 120.0° |
| O5' | C5' | C4' | O4' | 56.8° | 66.5° |
| O5' | C5' | C4' | C3' | 176.1° | 179.5° |
| O5' | C5' | C4' | H4' | 63.9° | 56.5° |
| C4' | C5' | H5' | H5'' | 119.7° | 120.0° |
| C5' | C4' | O4' | C3' | 122.1° | 118.5° |
| C5' | C4' | O4' | H4' | 117.8° | 123.0° |
| C5' | C4' | C3' | H4' | 117.8° | 123.0° |
| C5' | C4' | O4' | C1' | 141.9° | 158.5° |
| C5' | C4' | C3' | O3' | 118.7° | 37.3° |
| C5' | C4' | C3' | C2' | 122.9° | 155.5° |
| C5' | C4' | C3' | H3' | 1.0° | 86.2° |
| H5' | C5' | C4' | O4' | 63.2° | 53.5° |
| H5' | C5' | C4' | C3' | 56.1° | 60.5° |
| H5' | C5' | C4' | H4' | 176.1° | 176.5° |
| H5'' | C5' | C4' | O4' | 176.4° | 173.5° |
| H5'' | C5' | C4' | C3' | 64.2° | 59.5° |
| H5'' | C5' | C4' | H4' | 55.8° | 63.5° |
| O4' | C4' | C3' | H4' | 120.7° | 118.5° |
| O4' | C4' | C3' | O3' | 119.8° | 81.2° |
| O4' | C4' | C3' | C2' | 1.4° | 37.0° |
| O4' | C4' | C3' | H3' | 120.4° | 155.3° |
| C4' | O4' | C1' | C2' | 30.5° | 26.5° |
| C4' | O4' | C1' | N1 | 155.0° | 92.9° |
| C4' | O4' | C1' | H1' | 89.6° | 145.9° |
| C3' | C4' | O4' | C1' | 19.8° | 40.0° |
| C4' | C3' | O3' | C2' | 115.9° | 112.7° |
| C4' | C3' | O3' | H3' | 122.1° | 123.6° |
| C4' | C3' | C2' | H3' | 121.9° | 118.2° |
| C4' | C3' | O3' | HO'3 | 32.8° | 174.2° |
| C4' | C3' | C2' | O2' | 135.4° | 139.6° |
| C4' | C3' | C2' | C1' | 16.0° | 20.9° |
| C4' | C3' | C2' | H2' | 106.6° | 98.0° |
| H4' | C4' | O4' | C1' | 100.3° | 78.4° |
| H4' | C4' | C3' | O3' | 0.9° | 160.3° |
| H4' | C4' | C3' | C2' | 119.3° | 81.5° |
| H4' | C4' | C3' | H3' | 118.8° | 36.8° |
| O4' | C1' | C2' | C3' | 28.2° | 2.0° |
| O4' | C1' | C2' | O2' | 148.4° | 116.7° |
| O4' | C1' | C2' | N1 | 124.5° | 119.4° |
| O4' | C1' | C2' | H1' | 120.0° | 119.5° |
| O4' | C1' | C2' | H2' | 93.7° | 120.7° |
| O4' | C1' | N1 | H1' | 119.6° | 121.1° |
| O4' | C1' | N1 | C2 | 56.4° | 165.4° |
| O4' | C1' | N1 | C6 | 123.5° | 14.7° |
| O3' | C3' | C2' | H3' | 119.8° | 123.6° |
| O3' | C3' | C2' | O2' | 17.2° | 21.4° |
| O3' | C3' | C2' | C1' | 102.3° | 97.3° |
| O3' | C3' | C2' | H2' | 135.1° | 143.9° |
| C2' | C3' | O3' | HO'3 | 148.7° | 61.5° |
| C3' | C2' | O2' | C1' | 114.9° | 114.8° |
| C3' | C2' | O2' | H2' | 122.2° | 122.5° |
| C3' | C2' | C1' | H2' | 122.0° | 118.7° |
| C3' | C2' | O2' | HO2' | 93.3° | 61.5° |
| C3' | C2' | C1' | N1 | 152.8° | 117.4° |
| C3' | C2' | C1' | H1' | 91.8° | 121.5° |
| H3' | C3' | O3' | HO'3 | 89.3° | 62.2° |
| H3' | C3' | C2' | O2' | 102.6° | 102.2° |
| H3' | C3' | C2' | C1' | 137.9° | 139.1° |
| H3' | C3' | C2' | H2' | 15.3° | 20.3° |
| O2' | C2' | C1' | H2' | 117.9° | 122.6° |
| O2' | C2' | C1' | N1 | 87.1° | 124.0° |
| O2' | C2' | C1' | H1' | 28.3° | 2.8° |
| C1' | C2' | O2' | HO2' | 21.6° | 176.2° |
| C2' | C1' | N1 | H1' | 119.7° | 121.1° |
| C2' | C1' | N1 | C2 | 64.3° | 76.7° |
| C2' | C1' | N1 | C6 | 115.8° | 103.1° |
| H2' | C2' | O2' | HO2' | 144.4° | 61.0° |
| H2' | C2' | C1' | N1 | 30.8° | 1.3° |
| H2' | C2' | C1' | H1' | 146.2° | 119.8° |
| C1' | N1 | C2 | C6 | 180.0° | 179.8° |
| C1' | N1 | C2 | O2 | 0.0° | 0.2° |
| C1' | N1 | C2 | N3 | 179.9° | 179.7° |
| C1' | N1 | C6 | C5 | 180.0° | 180.0° |
| C1' | N1 | C6 | H6 | 0.0° | 0.0° |
| H1' | C1' | N1 | C2 | 176.0° | 44.3° |
| H1' | C1' | N1 | C6 | 3.9° | 135.9° |
| N1 | C2 | O2 | N3 | 179.9° | 179.5° |
| N1 | C2 | N3 | C4 | 0.1° | 0.5° |
| N1 | C2 | N3 | H3 | 179.9° | 179.8° |
| C2 | N1 | C6 | C5 | 0.1° | 0.2° |
| C2 | N1 | C6 | H6 | 179.9° | 179.8° |
| C6 | N1 | C2 | O2 | 179.9° | 179.9° |
| C6 | N1 | C2 | N3 | 0.1° | 0.4° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 179.9° | 180.0° |
| O2 | C2 | N3 | C4 | 180.0° | 180.0° |
| O2 | C2 | N3 | H3 | 0.0° | 0.3° |
| C2 | N3 | C4 | H3 | 180.0° | 179.7° |
| C2 | N3 | C4 | O4 | 179.9° | 179.7° |
| C2 | N3 | C4 | C5 | 0.0° | 0.2° |
| N3 | C4 | O4 | C5 | 179.9° | 179.9° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | C5 | H5 | 180.0° | 180.0° |
| H3 | N3 | C4 | O4 | 0.1° | 0.1° |
| H3 | N3 | C4 | C5 | 180.0° | 180.0° |
| O4 | C4 | C5 | C6 | 179.9° | 179.9° |
| O4 | C4 | C5 | H5 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |






