TBD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | O1B | sing | 1.61Å | 1.48Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| PB | O3B | doub | 1.48Å | 1.49Å | |
| PB | O3A | sing | 1.61Å | 1.59Å | |
| O1B | H1BO | sing | 0.97Å | 0.95Å | |
| O2B | H2BO | sing | 0.97Å | 0.95Å | |
| O3A | PA | sing | 1.61Å | 1.59Å | |
| PA | B1A | sing | 1.88Å | 1.91Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| B1A | H1B | sing | 1.21Å | 1.20Å | |
| B1A | H2B | sing | 1.21Å | 1.20Å | |
| B1A | H3B | sing | 1.21Å | 1.20Å | |
| O2A | H2AO | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | H4'C | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1'C | sing | 1.09Å | 1.11Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| C6 | C5 | doub | 1.35Å | 1.34Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C5 | C5A | sing | 1.51Å | 1.50Å | |
| C5A | HCA1 | sing | 1.09Å | 1.12Å | |
| C5A | HCA2 | sing | 1.09Å | 1.11Å | |
| C5A | HCA3 | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3'C | sing | 1.09Å | 1.12Å | |
| O3' | H3'O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 118.0° | 109.5° |
| O1B | PB | O3B | 110.4° | 109.5° |
| O1B | PB | O3A | 100.1° | 109.5° |
| PB | O1B | H1BO | 118.0° | 114.0° |
| O2B | PB | O3B | 117.8° | 109.5° |
| O2B | PB | O3A | 105.8° | 109.5° |
| PB | O2B | H2BO | 118.0° | 114.0° |
| O3B | PB | O3A | 101.5° | 109.5° |
| PB | O3A | PA | 129.8° | 134.0° |
| O3A | PA | B1A | 106.0° | 109.5° |
| O3A | PA | O2A | 107.2° | 109.5° |
| O3A | PA | O5' | 104.3° | 109.5° |
| B1A | PA | O2A | 119.4° | 109.5° |
| B1A | PA | O5' | 107.7° | 109.4° |
| PA | B1A | H1B | 103.4° | 109.5° |
| PA | B1A | H2B | 98.7° | 109.4° |
| PA | B1A | H3B | 129.2° | 109.4° |
| O2A | PA | O5' | 111.1° | 109.5° |
| PA | O2A | H2AO | 107.3° | 114.0° |
| PA | O5' | C5' | 121.4° | 123.0° |
| H1B | B1A | H2B | 126.7° | 109.6° |
| H1B | B1A | H3B | 103.3° | 109.5° |
| H2B | B1A | H3B | 98.7° | 109.5° |
| O5' | C5' | C4' | 111.1° | 109.4° |
| O5' | C5' | H5'1 | 111.6° | 109.5° |
| O5' | C5' | H5'2 | 111.6° | 109.5° |
| C4' | C5' | H5'1 | 111.7° | 109.5° |
| C4' | C5' | H5'2 | 111.6° | 109.5° |
| C5' | C4' | O4' | 110.8° | 110.6° |
| C5' | C4' | C3' | 117.1° | 110.6° |
| C5' | C4' | H4'C | 101.6° | 110.6° |
| H5'1 | C5' | H5'2 | 98.8° | 109.5° |
| O4' | C4' | C3' | 104.4° | 103.5° |
| O4' | C4' | H4'C | 115.0° | 110.7° |
| C4' | O4' | C1' | 109.7° | 107.0° |
| C3' | C4' | H4'C | 108.4° | 110.7° |
| C4' | C3' | C2' | 102.2° | 102.1° |
| C4' | C3' | O3' | 110.4° | 110.9° |
| C4' | C3' | H3'C | 113.9° | 110.9° |
| O4' | C1' | N1 | 108.4° | 109.9° |
| O4' | C1' | C2' | 107.6° | 107.2° |
| O4' | C1' | H1'C | 112.9° | 109.9° |
| N1 | C1' | C2' | 113.7° | 109.9° |
| N1 | C1' | H1'C | 106.7° | 109.9° |
| C1' | N1 | C6 | 120.5° | 119.7° |
| C1' | N1 | C2 | 118.3° | 119.7° |
| C2' | C1' | H1'C | 107.6° | 110.0° |
| C1' | C2' | C3' | 102.0° | 104.2° |
| C1' | C2' | H2'1 | 115.1° | 110.5° |
| C1' | C2' | H2'2 | 115.1° | 110.5° |
| C6 | N1 | C2 | 121.2° | 120.7° |
| N1 | C6 | C5 | 123.6° | 119.7° |
| N1 | C6 | HC6 | 119.9° | 120.2° |
| N1 | C2 | O2 | 123.5° | 119.6° |
| N1 | C2 | N3 | 114.6° | 120.9° |
| C5 | C6 | HC6 | 116.6° | 120.1° |
| C6 | C5 | C4 | 117.9° | 119.1° |
| C6 | C5 | C5A | 123.0° | 120.5° |
| O2 | C2 | N3 | 121.9° | 119.5° |
| C2 | N3 | C4 | 127.4° | 120.3° |
| C2 | N3 | HN3 | 116.0° | 119.9° |
| C4 | N3 | HN3 | 116.6° | 119.8° |
| N3 | C4 | O4 | 119.4° | 120.3° |
| N3 | C4 | C5 | 115.4° | 119.4° |
| O4 | C4 | C5 | 125.2° | 120.3° |
| C4 | C5 | C5A | 119.1° | 120.4° |
| C5 | C5A | HCA1 | 123.0° | 109.5° |
| C5 | C5A | HCA2 | 107.4° | 109.5° |
| C5 | C5A | HCA3 | 107.5° | 109.5° |
| HCA1 | C5A | HCA2 | 107.4° | 109.5° |
| HCA1 | C5A | HCA3 | 107.4° | 109.4° |
| HCA2 | C5A | HCA3 | 102.3° | 109.4° |
| C3' | C2' | H2'1 | 115.1° | 110.5° |
| C3' | C2' | H2'2 | 115.0° | 110.5° |
| C2' | C3' | O3' | 110.5° | 110.9° |
| C2' | C3' | H3'C | 113.8° | 110.9° |
| H2'1 | C2' | H2'2 | 95.4° | 110.5° |
| O3' | C3' | H3'C | 106.2° | 110.8° |
| C3' | O3' | H3'O | 110.4° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 136.6° | 120.0° |
| O1B | PB | O2B | O3A | 110.9° | 120.0° |
| O1B | PB | O3B | O3A | 105.4° | 120.0° |
| O1B | PB | O2B | H2BO | 180.0° | 60.0° |
| O1B | PB | O3A | PA | 108.0° | 75.0° |
| O2B | PB | O3B | O3A | 114.9° | 120.0° |
| O2B | PB | O1B | H1BO | 180.0° | 60.0° |
| O2B | PB | O3A | PA | 15.1° | 165.0° |
| O3B | PB | O1B | H1BO | 40.4° | 180.0° |
| O3B | PB | O2B | H2BO | 43.4° | 60.0° |
| O3B | PB | O3A | PA | 138.6° | 45.0° |
| O3A | PB | O1B | H1BO | 65.9° | 60.0° |
| O3A | PB | O2B | H2BO | 69.1° | 179.9° |
| PB | O3A | PA | B1A | 143.0° | 60.0° |
| PB | O3A | PA | O2A | 14.5° | 60.0° |
| PB | O3A | PA | O5' | 103.4° | 179.9° |
| O3A | PA | B1A | O2A | 121.0° | 120.0° |
| O3A | PA | B1A | O5' | 111.2° | 120.0° |
| O3A | PA | O2A | O5' | 113.4° | 120.1° |
| O3A | PA | B1A | H1B | 18.1° | 60.0° |
| O3A | PA | B1A | H2B | 149.2° | 180.0° |
| O3A | PA | B1A | H3B | 101.9° | 60.0° |
| O3A | PA | O2A | H2AO | 180.0° | 60.0° |
| O3A | PA | O5' | C5' | 63.2° | 165.0° |
| B1A | PA | O2A | O5' | 126.2° | 120.0° |
| PA | B1A | H1B | H2B | 111.8° | 120.0° |
| PA | B1A | H1B | H3B | 136.4° | 120.0° |
| PA | B1A | H2B | H3B | 132.1° | 119.9° |
| B1A | PA | O2A | H2AO | 59.5° | 180.0° |
| B1A | PA | O5' | C5' | 175.5° | 45.0° |
| O2A | PA | B1A | H1B | 139.1° | 180.0° |
| O2A | PA | B1A | H2B | 89.8° | 59.9° |
| O2A | PA | B1A | H3B | 19.1° | 60.0° |
| O2A | PA | O5' | C5' | 52.0° | 75.0° |
| O5' | PA | B1A | H1B | 93.1° | 60.0° |
| O5' | PA | B1A | H2B | 38.0° | 60.0° |
| O5' | PA | B1A | H3B | 146.9° | 180.0° |
| O5' | PA | O2A | H2AO | 66.7° | 60.1° |
| PA | O5' | C5' | C4' | 128.8° | 180.0° |
| PA | O5' | C5' | H5'1 | 3.5° | 60.0° |
| PA | O5' | C5' | H5'2 | 105.9° | 60.0° |
| H1B | B1A | H2B | H3B | 113.9° | 120.0° |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.5° | 120.0° |
| O5' | C5' | C4' | O4' | 65.6° | 66.5° |
| O5' | C5' | C4' | C3' | 53.9° | 179.5° |
| O5' | C5' | C4' | H4'C | 171.8° | 56.4° |
| C4' | C5' | H5'1 | H5'2 | 117.6° | 120.1° |
| C5' | C4' | O4' | C3' | 126.9° | 118.5° |
| C5' | C4' | O4' | H4'C | 114.5° | 122.9° |
| C5' | C4' | C3' | H4'C | 114.1° | 122.9° |
| C5' | C4' | O4' | C1' | 149.1° | 158.6° |
| C5' | C4' | C3' | C2' | 158.7° | 155.5° |
| C5' | C4' | C3' | O3' | 83.8° | 86.3° |
| C5' | C4' | C3' | H3'C | 35.5° | 37.3° |
| H5'1 | C5' | C4' | O4' | 169.2° | 53.5° |
| H5'1 | C5' | C4' | C3' | 71.3° | 60.6° |
| H5'1 | C5' | C4' | H4'C | 46.5° | 176.4° |
| H5'2 | C5' | C4' | O4' | 59.7° | 173.5° |
| H5'2 | C5' | C4' | C3' | 179.2° | 59.5° |
| H5'2 | C5' | C4' | H4'C | 63.0° | 63.5° |
| O4' | C4' | C3' | H4'C | 123.0° | 118.6° |
| C4' | O4' | C1' | N1 | 122.7° | 146.0° |
| C4' | O4' | C1' | C2' | 0.7° | 26.6° |
| C4' | O4' | C1' | H1'C | 119.2° | 93.0° |
| O4' | C4' | C3' | C2' | 35.8° | 37.0° |
| O4' | C4' | C3' | O3' | 153.4° | 155.2° |
| O4' | C4' | C3' | H3'C | 87.4° | 81.2° |
| C3' | C4' | O4' | C1' | 22.2° | 40.1° |
| C4' | C3' | C2' | C1' | 35.2° | 20.8° |
| C4' | C3' | C2' | O3' | 117.5° | 118.2° |
| C4' | C3' | C2' | H3'C | 123.2° | 118.2° |
| C4' | C3' | C2' | H2'1 | 90.0° | 97.8° |
| C4' | C3' | C2' | H2'2 | 160.5° | 139.5° |
| C4' | C3' | O3' | H3'C | 123.8° | 123.7° |
| C4' | C3' | O3' | H3'O | 179.9° | 179.9° |
| H4'C | C4' | O4' | C1' | 96.4° | 78.6° |
| H4'C | C4' | C3' | C2' | 87.2° | 81.6° |
| H4'C | C4' | C3' | O3' | 30.4° | 36.6° |
| H4'C | C4' | C3' | H3'C | 149.6° | 160.2° |
| O4' | C1' | N1 | C2' | 119.6° | 117.8° |
| O4' | C1' | N1 | H1'C | 121.9° | 121.0° |
| O4' | C1' | C2' | H1'C | 121.9° | 119.5° |
| O4' | C1' | N1 | C6 | 31.5° | 126.5° |
| O4' | C1' | N1 | C2 | 148.0° | 53.3° |
| O4' | C1' | C2' | C3' | 23.1° | 2.1° |
| O4' | C1' | C2' | H2'1 | 102.2° | 120.8° |
| O4' | C1' | C2' | H2'2 | 148.3° | 116.6° |
| N1 | C1' | C2' | H1'C | 117.9° | 121.2° |
| C1' | N1 | C6 | C2 | 179.5° | 179.8° |
| C1' | N1 | C6 | C5 | 178.5° | 180.0° |
| C1' | N1 | C6 | HC6 | 1.5° | 0.0° |
| C1' | N1 | C2 | O2 | 1.9° | 0.1° |
| C1' | N1 | C2 | N3 | 178.2° | 180.0° |
| N1 | C1' | C2' | C3' | 97.1° | 121.4° |
| N1 | C1' | C2' | H2'1 | 137.7° | 119.9° |
| N1 | C1' | C2' | H2'2 | 28.2° | 2.7° |
| C2' | C1' | N1 | C6 | 88.2° | 115.7° |
| C2' | C1' | N1 | C2 | 92.3° | 64.5° |
| C1' | C2' | C3' | H2'1 | 125.2° | 118.7° |
| C1' | C2' | C3' | H2'2 | 125.3° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 121.0° | 122.6° |
| C1' | C2' | C3' | O3' | 152.7° | 139.1° |
| C1' | C2' | C3' | H3'C | 88.0° | 97.4° |
| H1'C | C1' | N1 | C6 | 153.4° | 5.5° |
| H1'C | C1' | N1 | C2 | 26.1° | 174.3° |
| H1'C | C1' | C2' | C3' | 145.0° | 117.4° |
| H1'C | C1' | C2' | H2'1 | 19.8° | 1.3° |
| H1'C | C1' | C2' | H2'2 | 89.8° | 123.9° |
| N1 | C6 | C5 | HC6 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 178.6° | 179.7° |
| C6 | N1 | C2 | N3 | 1.3° | 0.2° |
| N1 | C6 | C5 | C4 | 0.2° | 0.1° |
| N1 | C6 | C5 | C5A | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 1.0° | 0.2° |
| C2 | N1 | C6 | HC6 | 179.0° | 179.8° |
| N1 | C2 | O2 | N3 | 179.9° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| N1 | C2 | N3 | HN3 | 179.4° | 180.0° |
| C6 | C5 | C4 | N3 | 0.9° | 0.3° |
| C6 | C5 | C4 | O4 | 178.8° | 180.0° |
| C6 | C5 | C4 | C5A | 180.0° | 179.9° |
| C6 | C5 | C5A | HCA1 | 180.0° | 90.0° |
| C6 | C5 | C5A | HCA2 | 54.7° | 150.0° |
| C6 | C5 | C5A | HCA3 | 54.7° | 30.0° |
| HC6 | C6 | C5 | C4 | 179.8° | 180.0° |
| HC6 | C6 | C5 | C5A | 0.2° | 0.0° |
| O2 | C2 | N3 | C4 | 179.3° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.7° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.2° | 180.0° |
| C2 | N3 | C4 | C5 | 0.5° | 0.3° |
| N3 | C4 | O4 | C5 | 179.6° | 179.7° |
| N3 | C4 | C5 | C5A | 179.2° | 179.8° |
| HN3 | N3 | C4 | O4 | 0.8° | 0.0° |
| HN3 | N3 | C4 | C5 | 179.6° | 179.7° |
| O4 | C4 | C5 | C5A | 1.2° | 0.0° |
| C4 | C5 | C5A | HCA1 | 0.0° | 90.0° |
| C4 | C5 | C5A | HCA2 | 125.2° | 30.0° |
| C4 | C5 | C5A | HCA3 | 125.3° | 150.0° |
| C5 | C5A | HCA1 | HCA2 | 125.3° | 120.0° |
| C5 | C5A | HCA1 | HCA3 | 125.3° | 120.0° |
| C5 | C5A | HCA2 | HCA3 | 113.0° | 120.0° |
| HCA1 | C5A | HCA2 | HCA3 | 112.8° | 119.9° |
| C3' | C2' | H2'1 | H2'2 | 120.9° | 122.6° |
| C2' | C3' | O3' | H3'C | 123.8° | 123.6° |
| C2' | C3' | O3' | H3'O | 67.8° | 67.3° |
| H2'1 | C2' | C3' | O3' | 27.5° | 20.4° |
| H2'1 | C2' | C3' | H3'C | 146.8° | 144.0° |
| H2'2 | C2' | C3' | O3' | 82.0° | 102.2° |
| H2'2 | C2' | C3' | H3'C | 37.3° | 21.3° |
| H3'C | C3' | O3' | H3'O | 56.1° | 56.3° |
