YYY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3B | H3B | sing | 0.98Å | 0.95Å | |
| O3B | PB | sing | 1.62Å | 1.59Å | |
| PB | O1B | doub | 1.50Å | 1.58Å | |
| PB | O2B | sing | 1.62Å | 1.61Å | |
| PB | O3A | sing | 1.62Å | 1.64Å | |
| O2B | H2B | sing | 0.98Å | 0.95Å | |
| O3A | PA | sing | 1.62Å | 1.63Å | |
| PA | O1A | doub | 1.50Å | 1.58Å | |
| PA | O2A | sing | 1.62Å | 1.60Å | |
| PA | O5' | sing | 1.62Å | 1.59Å | |
| O2A | H2A | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.41Å | |
| C5' | C4' | sing | 1.52Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.52Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.43Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.51Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2'1 | sing | 1.10Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C1' | N1 | sing | 1.43Å | 1.48Å | |
| C1' | H1' | sing | 1.10Å | 1.12Å | |
| N1 | C2 | sing | 1.42Å | 1.42Å | |
| N1 | C6 | sing | 1.39Å | 1.35Å | |
| C2 | O2 | doub | 1.23Å | 1.26Å | |
| C2 | N3 | sing | 1.38Å | 1.36Å | |
| N3 | C4 | doub | 1.31Å | 1.36Å | |
| C4 | N4 | sing | 1.38Å | 1.35Å | |
| C4 | C5 | sing | 1.49Å | 1.39Å | |
| N4 | H4N1 | sing | 0.99Å | 1.02Å | |
| N4 | H4N2 | sing | 0.99Å | 1.02Å | |
| C5 | C6 | doub | 1.33Å | 1.39Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H3B | O3B | PB | 109.5° | 118.9° |
| O3B | PB | O1B | 106.9° | 115.2° |
| O3B | PB | O2B | 110.4° | 103.5° |
| O3B | PB | O3A | 109.1° | 103.1° |
| O1B | PB | O2B | 112.0° | 115.3° |
| O1B | PB | O3A | 114.7° | 114.7° |
| O2B | PB | O3A | 103.7° | 103.4° |
| PB | O2B | H2B | 109.5° | 118.9° |
| PB | O3A | PA | 127.9° | 131.0° |
| O3A | PA | O1A | 109.1° | 114.2° |
| O3A | PA | O2A | 113.4° | 103.2° |
| O3A | PA | O5' | 102.1° | 104.6° |
| O1A | PA | O2A | 110.5° | 114.4° |
| O1A | PA | O5' | 110.5° | 114.7° |
| O2A | PA | O5' | 110.9° | 104.5° |
| PA | O2A | H2A | 109.5° | 118.9° |
| PA | O5' | C5' | 116.3° | 120.0° |
| O5' | C5' | C4' | 110.6° | 108.9° |
| O5' | C5' | H5'1 | 111.8° | 109.0° |
| O5' | C5' | H5'2 | 111.8° | 108.9° |
| C4' | C5' | H5'1 | 111.8° | 110.3° |
| C4' | C5' | H5'2 | 111.8° | 110.3° |
| C5' | C4' | O4' | 114.6° | 107.9° |
| C5' | C4' | C3' | 114.1° | 112.9° |
| C5' | C4' | H4' | 106.1° | 109.5° |
| H5'1 | C5' | H5'2 | 98.6° | 109.3° |
| O4' | C4' | C3' | 109.0° | 106.2° |
| O4' | C4' | H4' | 106.1° | 107.9° |
| C4' | O4' | C1' | 110.4° | 109.3° |
| C3' | C4' | H4' | 106.1° | 112.2° |
| C4' | C3' | O3' | 113.4° | 109.9° |
| C4' | C3' | C2' | 105.1° | 103.1° |
| C4' | C3' | H3' | 108.8° | 113.5° |
| O4' | C1' | C2' | 108.3° | 107.4° |
| O4' | C1' | N1 | 115.6° | 109.3° |
| O4' | C1' | H1' | 108.6° | 108.0° |
| O3' | C3' | C2' | 111.9° | 109.7° |
| O3' | C3' | H3' | 108.8° | 107.4° |
| C3' | O3' | HA | 113.4° | 107.3° |
| C2' | C3' | H3' | 108.8° | 113.2° |
| C3' | C2' | C1' | 106.7° | 102.5° |
| C3' | C2' | H2'1 | 113.2° | 109.7° |
| C3' | C2' | H2'2 | 113.2° | 114.1° |
| C1' | C2' | H2'1 | 113.2° | 110.6° |
| C1' | C2' | H2'2 | 113.3° | 111.7° |
| C2' | C1' | N1 | 107.0° | 112.8° |
| C2' | C1' | H1' | 108.6° | 111.5° |
| H2'1 | C2' | H2'2 | 97.2° | 108.3° |
| N1 | C1' | H1' | 108.6° | 107.8° |
| C1' | N1 | C2 | 120.9° | 122.0° |
| C1' | N1 | C6 | 120.2° | 118.6° |
| C2 | N1 | C6 | 118.9° | 119.4° |
| N1 | C2 | O2 | 120.2° | 121.0° |
| N1 | C2 | N3 | 118.9° | 118.8° |
| N1 | C6 | C5 | 121.4° | 122.7° |
| N1 | C6 | H6 | 119.3° | 116.2° |
| O2 | C2 | N3 | 120.9° | 120.2° |
| C2 | N3 | C4 | 122.2° | 121.1° |
| N3 | C4 | N4 | 121.3° | 120.2° |
| N3 | C4 | C5 | 119.1° | 121.7° |
| N4 | C4 | C5 | 119.5° | 118.2° |
| C4 | N4 | H4N1 | 121.4° | 118.0° |
| C4 | N4 | H4N2 | 119.5° | 118.0° |
| C4 | C5 | C6 | 119.4° | 116.3° |
| C4 | C5 | H5 | 120.3° | 120.6° |
| H4N1 | N4 | H4N2 | 119.1° | 123.9° |
| C6 | C5 | H5 | 120.3° | 123.1° |
| C5 | C6 | H6 | 119.3° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H3B | O3B | PB | O1B | 51.9° | 48.4° |
| H3B | O3B | PB | O2B | 174.0° | 78.4° |
| H3B | O3B | PB | O3A | 72.7° | 174.1° |
| O3B | PB | O1B | O2B | 121.1° | 120.6° |
| O3B | PB | O1B | O3A | 121.1° | 119.5° |
| O3B | PB | O2B | O3A | 116.7° | 107.3° |
| O3B | PB | O2B | H2B | 10.7° | 77.9° |
| O3B | PB | O3A | PA | 120.1° | 66.1° |
| O1B | PB | O2B | O3A | 124.3° | 126.0° |
| O1B | PB | O2B | H2B | 129.7° | 48.9° |
| O1B | PB | O3A | PA | 0.2° | 60.0° |
| O2B | PB | O3A | PA | 122.3° | 173.7° |
| O3A | PB | O2B | H2B | 106.0° | 174.8° |
| PB | O3A | PA | O1A | 18.6° | 60.0° |
| PB | O3A | PA | O2A | 105.0° | 64.8° |
| PB | O3A | PA | O5' | 135.6° | 173.8° |
| O3A | PA | O1A | O2A | 125.4° | 118.6° |
| O3A | PA | O1A | O5' | 111.5° | 120.7° |
| O3A | PA | O2A | O5' | 114.2° | 109.1° |
| O3A | PA | O2A | H2A | 167.9° | 170.6° |
| O3A | PA | O5' | C5' | 69.0° | 54.1° |
| O1A | PA | O2A | O5' | 122.9° | 126.3° |
| O1A | PA | O2A | H2A | 45.1° | 46.0° |
| O1A | PA | O5' | C5' | 47.0° | 180.0° |
| O2A | PA | O5' | C5' | 169.8° | 54.0° |
| O5' | PA | O2A | H2A | 77.8° | 80.3° |
| PA | O5' | C5' | C4' | 166.0° | 180.0° |
| PA | O5' | C5' | H5'1 | 40.7° | 59.6° |
| PA | O5' | C5' | H5'2 | 68.7° | 59.6° |
| O5' | C5' | C4' | H5'1 | 125.2° | 119.6° |
| O5' | C5' | C4' | H5'2 | 125.3° | 119.5° |
| O5' | C5' | H5'1 | H5'2 | 117.7° | 119.0° |
| O5' | C5' | C4' | O4' | 55.9° | 62.4° |
| O5' | C5' | C4' | C3' | 70.7° | 179.5° |
| O5' | C5' | C4' | H4' | 172.8° | 54.7° |
| C4' | C5' | H5'1 | H5'2 | 117.7° | 121.5° |
| C5' | C4' | O4' | C3' | 129.3° | 121.4° |
| C5' | C4' | O4' | H4' | 116.8° | 118.2° |
| C5' | C4' | C3' | H4' | 116.5° | 124.3° |
| C5' | C4' | O4' | C1' | 136.1° | 108.6° |
| C5' | C4' | C3' | O3' | 100.3° | 154.2° |
| C5' | C4' | C3' | C2' | 137.1° | 88.8° |
| C5' | C4' | C3' | H3' | 20.8° | 34.0° |
| H5'1 | C5' | C4' | O4' | 69.3° | 57.1° |
| H5'1 | C5' | C4' | C3' | 164.0° | 60.0° |
| H5'1 | C5' | C4' | H4' | 47.5° | 174.3° |
| H5'2 | C5' | C4' | O4' | 178.8° | 178.1° |
| H5'2 | C5' | C4' | C3' | 54.5° | 61.0° |
| H5'2 | C5' | C4' | H4' | 62.0° | 64.8° |
| O4' | C4' | C3' | H4' | 113.9° | 117.6° |
| O4' | C4' | C3' | O3' | 130.1° | 87.7° |
| O4' | C4' | C3' | C2' | 7.5° | 29.2° |
| O4' | C4' | C3' | H3' | 108.8° | 152.1° |
| C4' | O4' | C1' | C2' | 3.2° | 9.0° |
| C4' | O4' | C1' | N1 | 123.1° | 131.7° |
| C4' | O4' | C1' | H1' | 114.6° | 111.3° |
| C3' | C4' | O4' | C1' | 6.8° | 12.7° |
| C4' | C3' | O3' | C2' | 118.7° | 112.7° |
| C4' | C3' | O3' | H3' | 121.1° | 123.9° |
| C4' | C3' | C2' | H3' | 116.3° | 123.0° |
| C4' | C3' | O3' | HA | 180.0° | 128.0° |
| C4' | C3' | C2' | C1' | 5.5° | 33.4° |
| C4' | C3' | C2' | H2'1 | 119.8° | 84.1° |
| C4' | C3' | C2' | H2'2 | 130.8° | 154.3° |
| H4' | C4' | O4' | C1' | 107.1° | 133.2° |
| H4' | C4' | C3' | O3' | 16.2° | 29.9° |
| H4' | C4' | C3' | C2' | 106.4° | 146.9° |
| H4' | C4' | C3' | H3' | 137.3° | 90.3° |
| O4' | C1' | C2' | C3' | 1.7° | 26.9° |
| O4' | C1' | C2' | N1 | 125.2° | 120.5° |
| O4' | C1' | C2' | H1' | 117.8° | 118.1° |
| O4' | C1' | C2' | H2'1 | 123.6° | 90.0° |
| O4' | C1' | C2' | H2'2 | 127.0° | 149.4° |
| O4' | C1' | N1 | H1' | 122.3° | 117.1° |
| O4' | C1' | N1 | C2 | 108.8° | 147.1° |
| O4' | C1' | N1 | C6 | 74.0° | 32.9° |
| O3' | C3' | C2' | H3' | 120.2° | 119.9° |
| O3' | C3' | C2' | C1' | 129.0° | 83.6° |
| O3' | C3' | C2' | H2'1 | 3.7° | 158.9° |
| O3' | C3' | C2' | H2'2 | 105.8° | 37.2° |
| C2' | C3' | O3' | HA | 61.4° | 119.3° |
| C3' | C2' | C1' | H2'1 | 125.3° | 116.9° |
| C3' | C2' | C1' | H2'2 | 125.3° | 122.5° |
| C3' | C2' | H2'1 | H2'2 | 119.1° | 125.1° |
| C3' | C2' | C1' | N1 | 123.5° | 147.4° |
| C3' | C2' | C1' | H1' | 119.5° | 91.2° |
| H3' | C3' | O3' | HA | 58.9° | 4.1° |
| H3' | C3' | C2' | C1' | 110.8° | 156.4° |
| H3' | C3' | C2' | H2'1 | 123.9° | 38.9° |
| H3' | C3' | C2' | H2'2 | 14.5° | 82.7° |
| C1' | C2' | H2'1 | H2'2 | 119.2° | 122.7° |
| C2' | C1' | N1 | H1' | 117.0° | 123.5° |
| C2' | C1' | N1 | C2 | 130.5° | 93.5° |
| C2' | C1' | N1 | C6 | 46.7° | 86.5° |
| H2'1 | C2' | C1' | N1 | 111.2° | 30.6° |
| H2'1 | C2' | C1' | H1' | 5.8° | 151.9° |
| H2'2 | C2' | C1' | N1 | 1.8° | 90.1° |
| H2'2 | C2' | C1' | H1' | 115.3° | 31.3° |
| C1' | N1 | C2 | C6 | 177.2° | 180.0° |
| C1' | N1 | C2 | O2 | 2.3° | 0.0° |
| C1' | N1 | C2 | N3 | 178.3° | 180.0° |
| C1' | N1 | C6 | C5 | 178.5° | 180.0° |
| C1' | N1 | C6 | H6 | 1.5° | 0.0° |
| H1' | C1' | N1 | C2 | 13.5° | 30.0° |
| H1' | C1' | N1 | C6 | 163.8° | 150.0° |
| N1 | C2 | O2 | N3 | 179.4° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| C2 | N1 | C6 | C5 | 1.2° | 0.0° |
| C2 | N1 | C6 | H6 | 178.8° | 180.0° |
| C6 | N1 | C2 | O2 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 1.0° | 0.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 179.2° | 179.9° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| C2 | N3 | C4 | N4 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C4 | N4 | C5 | 179.7° | 180.0° |
| N3 | C4 | N4 | H4N1 | 180.0° | 162.3° |
| N3 | C4 | N4 | H4N2 | 0.3° | 17.6° |
| N3 | C4 | C5 | C6 | 0.3° | 0.0° |
| N3 | C4 | C5 | H5 | 179.7° | 179.9° |
| C4 | N4 | H4N1 | H4N2 | 179.7° | 179.9° |
| N4 | C4 | C5 | C6 | 180.0° | 180.0° |
| N4 | C4 | C5 | H5 | 0.0° | 0.1° |
| C5 | C4 | N4 | H4N1 | 0.3° | 17.7° |
| C5 | C4 | N4 | H4N2 | 180.0° | 162.4° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| H5 | C5 | C6 | H6 | 0.8° | 0.0° |
