A1BCU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.40Å | |
| O1A | PA | doub | 1.48Å | 1.48Å | |
| C3' | C4' | sing | 1.51Å | 1.56Å | |
| C3' | C2' | sing | 1.53Å | 1.55Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| O4' | C4' | doub | 1.21Å | 1.21Å | |
| C4' | C5' | sing | 1.51Å | 1.50Å | |
| O4 | C4 | doub | 1.22Å | 1.22Å | |
| PA | O3A | sing | 1.61Å | 1.59Å | |
| PA | O2A | sing | 1.61Å | 1.55Å | |
| PA | O5D | sing | 1.61Å | 1.60Å | |
| C2' | C1' | sing | 1.53Å | 1.50Å | |
| C5 | C4 | sing | 1.42Å | 1.41Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| O3B | PB | sing | 1.61Å | 1.55Å | |
| O3B | C1' | sing | 1.43Å | 1.43Å | |
| O2B | PB | doub | 1.48Å | 1.57Å | |
| O3A | PB | sing | 1.61Å | 1.64Å | |
| C4 | N3 | sing | 1.35Å | 1.38Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| PB | O1B | sing | 1.61Å | 1.48Å | |
| C6 | N1 | sing | 1.37Å | 1.42Å | |
| C1' | O5' | sing | 1.43Å | 1.46Å | |
| O5D | C5D | sing | 1.43Å | 1.42Å | |
| N3 | C2 | sing | 1.35Å | 1.39Å | |
| O2D | C2D | sing | 1.43Å | 1.41Å | |
| N1 | C2 | sing | 1.34Å | 1.42Å | |
| N1 | C1D | sing | 1.47Å | 1.48Å | |
| C2D | C1D | sing | 1.54Å | 1.51Å | |
| C2D | C3D | sing | 1.55Å | 1.55Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C5D | C4D | sing | 1.53Å | 1.51Å | |
| C1D | O4D | sing | 1.44Å | 1.45Å | |
| C3D | C4D | sing | 1.55Å | 1.51Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| O4D | C4D | sing | 1.44Å | 1.49Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C1D | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C2D | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| C3D | H9 | sing | 1.09Å | 1.10Å | |
| C4D | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5D | H13 | sing | 1.09Å | 1.10Å | |
| C5D | H14 | sing | 1.09Å | 1.10Å | |
| O1B | H15 | sing | 0.97Å | 0.95Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| O2A | H17 | sing | 0.97Å | 0.95Å | |
| O2D | H18 | sing | 0.97Å | 0.95Å | |
| O3' | H19 | sing | 0.97Å | 0.95Å | |
| O3D | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 111.7° | 109.8° |
| O3' | C3' | C2' | 109.9° | 109.8° |
| O3' | C3' | H8 | 109.4° | 109.8° |
| C3' | O3' | H19 | 109.5° | 114.0° |
| O1A | PA | O3A | 113.3° | 109.5° |
| O1A | PA | O2A | 113.9° | 109.5° |
| O1A | PA | O5D | 107.1° | 109.5° |
| C4' | C3' | C2' | 110.9° | 108.0° |
| C3' | C4' | O4' | 122.7° | 121.1° |
| C3' | C4' | C5' | 114.8° | 117.8° |
| C4' | C3' | H8 | 107.3° | 109.8° |
| C3' | C2' | O2' | 114.9° | 109.6° |
| C3' | C2' | C1' | 106.9° | 109.0° |
| C3' | C2' | H6 | 108.2° | 109.6° |
| C2' | C3' | H8 | 107.5° | 109.8° |
| O2' | C2' | C1' | 108.0° | 109.5° |
| O2' | C2' | H6 | 109.7° | 109.6° |
| C2' | O2' | H16 | 109.5° | 114.0° |
| O4' | C4' | C5' | 122.5° | 121.1° |
| C4' | C5' | O5' | 106.2° | 108.3° |
| C4' | C5' | H11 | 110.3° | 109.7° |
| C4' | C5' | H12 | 110.3° | 109.7° |
| O4 | C4 | C5 | 119.3° | 120.3° |
| O4 | C4 | N3 | 118.0° | 120.3° |
| O3A | PA | O2A | 114.1° | 109.5° |
| O3A | PA | O5D | 105.5° | 109.4° |
| PA | O3A | PB | 126.5° | 134.0° |
| O2A | PA | O5D | 101.6° | 109.4° |
| PA | O2A | H17 | 109.5° | 114.0° |
| PA | O5D | C5D | 120.7° | 123.0° |
| C2' | C1' | O3B | 104.4° | 109.3° |
| C2' | C1' | O5' | 113.3° | 109.9° |
| C2' | C1' | H4 | 109.8° | 109.4° |
| C1' | C2' | H6 | 108.9° | 109.6° |
| C4 | C5 | C6 | 120.8° | 119.1° |
| C5 | C4 | N3 | 122.7° | 119.4° |
| C4 | C5 | H1 | 119.6° | 120.4° |
| C5 | C6 | N1 | 117.4° | 119.7° |
| C6 | C5 | H1 | 119.6° | 120.5° |
| C5 | C6 | H2 | 121.3° | 120.1° |
| PB | O3B | C1' | 116.3° | 123.0° |
| O3B | PB | O2B | 105.1° | 109.5° |
| O3B | PB | O3A | 108.2° | 109.5° |
| O3B | PB | O1B | 116.4° | 109.5° |
| O3B | C1' | O5' | 108.0° | 109.4° |
| O3B | C1' | H4 | 110.8° | 109.4° |
| O2B | PB | O3A | 94.8° | 109.5° |
| O2B | PB | O1B | 118.0° | 109.4° |
| O3A | PB | O1B | 111.9° | 109.5° |
| C4 | N3 | C2 | 117.7° | 120.2° |
| C4 | N3 | H3 | 121.2° | 119.9° |
| C5' | O5' | C1' | 118.9° | 114.1° |
| O5' | C5' | H11 | 110.3° | 109.7° |
| O5' | C5' | H12 | 110.3° | 109.6° |
| PB | O1B | H15 | 109.5° | 114.0° |
| C6 | N1 | C2 | 122.1° | 120.6° |
| C6 | N1 | C1D | 118.2° | 119.7° |
| N1 | C6 | H2 | 121.3° | 120.2° |
| O5' | C1' | H4 | 110.3° | 109.4° |
| O5D | C5D | C4D | 111.2° | 109.5° |
| O5D | C5D | H13 | 109.1° | 109.5° |
| O5D | C5D | H14 | 109.0° | 109.5° |
| N3 | C2 | N1 | 119.3° | 121.0° |
| N3 | C2 | O2 | 118.3° | 119.5° |
| C2 | N3 | H3 | 121.2° | 119.9° |
| O2D | C2D | C1D | 108.7° | 110.5° |
| O2D | C2D | C3D | 112.8° | 110.5° |
| O2D | C2D | H7 | 112.6° | 110.6° |
| C2D | O2D | H18 | 109.5° | 113.9° |
| C2 | N1 | C1D | 119.7° | 119.7° |
| N1 | C2 | O2 | 122.4° | 119.5° |
| N1 | C1D | C2D | 111.3° | 110.4° |
| N1 | C1D | O4D | 107.4° | 110.4° |
| N1 | C1D | H5 | 111.8° | 110.3° |
| C1D | C2D | C3D | 100.7° | 104.1° |
| C2D | C1D | O4D | 102.6° | 104.8° |
| C2D | C1D | H5 | 111.2° | 110.5° |
| C1D | C2D | H7 | 111.0° | 110.5° |
| C2D | C3D | C4D | 101.6° | 104.0° |
| C2D | C3D | O3D | 110.2° | 110.5° |
| C3D | C2D | H7 | 110.5° | 110.5° |
| C2D | C3D | H9 | 111.2° | 110.5° |
| C5D | C4D | C3D | 107.8° | 110.3° |
| C5D | C4D | O4D | 108.4° | 110.5° |
| C5D | C4D | H10 | 111.1° | 110.3° |
| C4D | C5D | H13 | 109.0° | 109.5° |
| C4D | C5D | H14 | 109.1° | 109.5° |
| C1D | O4D | C4D | 107.0° | 105.3° |
| O4D | C1D | H5 | 112.2° | 110.3° |
| C4D | C3D | O3D | 108.4° | 110.5° |
| C3D | C4D | O4D | 106.8° | 104.8° |
| C4D | C3D | H9 | 111.8° | 110.6° |
| C3D | C4D | H10 | 111.2° | 110.4° |
| O3D | C3D | H9 | 113.1° | 110.5° |
| C3D | O3D | H20 | 109.5° | 114.0° |
| O4D | C4D | H10 | 111.5° | 110.4° |
| H11 | C5' | H12 | 109.4° | 109.7° |
| H13 | C5D | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | C2' | 122.9° | 119.6° |
| O3' | C3' | C4' | H8 | 119.9° | 120.8° |
| O3' | C3' | C2' | H8 | 119.0° | 120.8° |
| O3' | C3' | C2' | O2' | 64.3° | 172.4° |
| O3' | C3' | C4' | O4' | 2.5° | 108.8° |
| O3' | C3' | C4' | C5' | 177.8° | 71.1° |
| O3' | C3' | C2' | C1' | 175.9° | 67.7° |
| O3' | C3' | C2' | H6 | 58.7° | 52.2° |
| O1A | PA | O3A | O2A | 132.5° | 120.1° |
| O1A | PA | O3A | O5D | 116.9° | 120.0° |
| O1A | PA | O2A | O5D | 114.8° | 120.0° |
| O1A | PA | O3A | PB | 140.4° | 45.0° |
| O1A | PA | O5D | C5D | 174.6° | 55.0° |
| O1A | PA | O2A | H17 | 0.0° | 180.0° |
| C4' | C3' | C2' | H8 | 117.0° | 119.6° |
| C4' | C3' | C2' | O2' | 171.8° | 68.0° |
| C3' | C4' | O4' | C5' | 179.7° | 180.0° |
| C4' | C3' | C2' | C1' | 51.9° | 51.9° |
| C3' | C4' | C5' | O5' | 51.2° | 48.6° |
| C4' | C3' | C2' | H6 | 65.3° | 171.8° |
| C3' | C4' | C5' | H11 | 68.3° | 168.4° |
| C3' | C4' | C5' | H12 | 170.7° | 71.0° |
| C4' | C3' | O3' | H19 | 1.0° | 60.0° |
| C3' | C2' | O2' | C1' | 119.2° | 119.5° |
| C3' | C2' | O2' | H6 | 122.2° | 120.3° |
| C2' | C3' | C4' | O4' | 125.4° | 131.6° |
| C2' | C3' | C4' | C5' | 54.9° | 48.5° |
| C3' | C2' | C1' | H6 | 116.7° | 119.9° |
| C3' | C2' | C1' | O3B | 64.2° | 178.6° |
| C3' | C2' | C1' | O5' | 53.1° | 61.3° |
| C3' | C2' | C1' | H4 | 177.0° | 58.8° |
| C3' | C2' | O2' | H16 | 180.0° | 60.5° |
| C2' | C3' | O3' | H19 | 124.5° | 178.5° |
| O2' | C2' | C1' | H6 | 119.1° | 120.2° |
| O2' | C2' | C1' | O3B | 60.0° | 61.5° |
| O2' | C2' | C1' | O5' | 177.3° | 58.6° |
| O2' | C2' | C1' | H4 | 58.8° | 178.7° |
| O2' | C2' | C3' | H8 | 54.7° | 51.7° |
| O4' | C4' | C5' | O5' | 129.1° | 131.4° |
| O4' | C4' | C3' | H8 | 117.5° | 12.0° |
| O4' | C4' | C5' | H11 | 111.4° | 11.6° |
| O4' | C4' | C5' | H12 | 9.6° | 109.0° |
| C4' | C5' | O5' | H11 | 119.5° | 119.7° |
| C4' | C5' | O5' | H12 | 119.5° | 119.7° |
| C4' | C5' | O5' | C1' | 53.5° | 55.5° |
| C5' | C4' | C3' | H8 | 62.3° | 168.1° |
| C4' | C5' | H11 | H12 | 121.5° | 120.6° |
| O4 | C4 | C5 | N3 | 179.6° | 179.6° |
| O4 | C4 | C5 | C6 | 179.8° | 179.9° |
| O4 | C4 | N3 | C2 | 180.0° | 179.8° |
| O4 | C4 | C5 | H1 | 0.2° | 0.4° |
| O4 | C4 | N3 | H3 | 0.0° | 0.4° |
| O3A | PA | O2A | O5D | 113.0° | 120.0° |
| PA | O3A | PB | O3B | 49.3° | 165.0° |
| PA | O3A | PB | O2B | 156.9° | 45.0° |
| PA | O3A | PB | O1B | 80.3° | 75.0° |
| O3A | PA | O5D | C5D | 53.6° | 175.0° |
| O3A | PA | O2A | H17 | 132.2° | 59.9° |
| O2A | PA | O3A | PB | 7.9° | 75.0° |
| O2A | PA | O5D | C5D | 65.7° | 65.0° |
| O5D | PA | O3A | PB | 102.8° | 165.0° |
| PA | O5D | C5D | C4D | 175.0° | 180.0° |
| PA | O5D | C5D | H13 | 54.8° | 60.0° |
| PA | O5D | C5D | H14 | 64.7° | 60.0° |
| O5D | PA | O2A | H17 | 114.8° | 60.0° |
| C2' | C1' | O3B | PB | 150.9° | 149.6° |
| C2' | C1' | O3B | O5' | 120.9° | 120.4° |
| C2' | C1' | O3B | H4 | 118.1° | 119.8° |
| C2' | C1' | O5' | C5' | 58.4° | 64.8° |
| C2' | C1' | O5' | H4 | 123.5° | 120.1° |
| C1' | C2' | C3' | H8 | 65.1° | 171.5° |
| C1' | C2' | O2' | H16 | 60.8° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | N1 | 0.6° | 0.0° |
| C5 | C4 | N3 | C2 | 0.5° | 0.5° |
| C4 | C5 | C6 | H2 | 179.5° | 180.0° |
| C5 | C4 | N3 | H3 | 179.5° | 180.0° |
| C6 | C5 | C4 | N3 | 0.6° | 0.3° |
| C5 | C6 | N1 | H2 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.1° |
| C5 | C6 | N1 | C1D | 179.9° | 179.7° |
| O3B | PB | O2B | O3A | 110.3° | 120.0° |
| O3B | PB | O2B | O1B | 131.8° | 120.0° |
| O3B | PB | O3A | O1B | 129.5° | 120.0° |
| PB | O3B | C1' | O5' | 88.1° | 90.0° |
| PB | O3B | C1' | H4 | 32.8° | 29.9° |
| O3B | PB | O1B | H15 | 126.5° | 60.0° |
| C1' | O3B | PB | O2B | 145.0° | 55.0° |
| C1' | O3B | PB | O3A | 114.6° | 175.0° |
| O3B | C1' | O5' | C5' | 56.8° | 175.2° |
| C1' | O3B | PB | O1B | 12.3° | 65.0° |
| O3B | C1' | O5' | H4 | 121.2° | 119.8° |
| O3B | C1' | C2' | H6 | 179.1° | 58.7° |
| O2B | PB | O3A | O1B | 122.8° | 120.0° |
| O2B | PB | O1B | H15 | 0.0° | 180.0° |
| O3A | PB | O1B | H15 | 108.4° | 60.0° |
| C4 | N3 | C2 | H3 | 180.0° | 179.4° |
| C4 | N3 | C2 | N1 | 0.3° | 0.5° |
| C4 | N3 | C2 | O2 | 179.7° | 179.4° |
| N3 | C4 | C5 | H1 | 179.4° | 180.0° |
| C5' | O5' | C1' | H4 | 178.0° | 55.4° |
| O5' | C5' | H11 | H12 | 121.5° | 120.5° |
| C6 | N1 | C2 | N3 | 0.3° | 0.2° |
| C6 | N1 | C2 | C1D | 179.4° | 179.8° |
| C6 | N1 | C1D | C2D | 52.4° | 61.6° |
| C6 | N1 | C2 | O2 | 179.7° | 179.7° |
| C6 | N1 | C1D | O4D | 59.1° | 53.8° |
| N1 | C6 | C5 | H1 | 179.4° | 179.7° |
| C6 | N1 | C1D | H5 | 177.4° | 176.0° |
| O5' | C1' | C2' | H6 | 63.6° | 178.8° |
| C1' | O5' | C5' | H11 | 66.0° | 175.3° |
| C1' | O5' | C5' | H12 | 173.0° | 64.1° |
| O5D | C5D | C4D | H13 | 120.3° | 120.0° |
| O5D | C5D | C4D | H14 | 120.3° | 120.0° |
| O5D | C5D | C4D | C3D | 55.1° | 175.0° |
| O5D | C5D | C4D | O4D | 60.0° | 69.6° |
| O5D | C5D | C4D | H10 | 177.2° | 52.7° |
| O5D | C5D | H13 | H14 | 119.2° | 120.0° |
| N3 | C2 | N1 | O2 | 179.9° | 179.9° |
| N3 | C2 | N1 | C1D | 179.7° | 180.0° |
| O2D | C2D | C1D | N1 | 81.2° | 98.5° |
| O2D | C2D | C1D | C3D | 118.7° | 118.7° |
| O2D | C2D | C1D | H7 | 124.3° | 122.7° |
| O2D | C2D | C3D | H7 | 127.0° | 122.8° |
| O2D | C2D | C1D | O4D | 164.3° | 142.6° |
| O2D | C2D | C3D | C4D | 156.4° | 118.6° |
| O2D | C2D | C3D | O3D | 41.6° | 0.0° |
| O2D | C2D | C1D | H5 | 44.1° | 23.8° |
| O2D | C2D | C3D | H9 | 84.6° | 122.7° |
| C2 | N1 | C1D | C2D | 128.1° | 118.2° |
| C2 | N1 | C1D | O4D | 120.3° | 126.4° |
| C2 | N1 | C6 | H2 | 179.6° | 179.9° |
| N1 | C2 | N3 | H3 | 179.7° | 179.9° |
| C2 | N1 | C1D | H5 | 3.1° | 4.2° |
| N1 | C1D | C2D | O4D | 114.6° | 118.8° |
| N1 | C1D | C2D | H5 | 125.3° | 122.3° |
| N1 | C1D | C2D | C3D | 160.2° | 142.8° |
| C1D | N1 | C2 | O2 | 0.2° | 0.0° |
| N1 | C1D | O4D | H5 | 123.2° | 122.2° |
| N1 | C1D | O4D | C4D | 150.1° | 159.4° |
| C1D | N1 | C6 | H2 | 0.2° | 0.3° |
| N1 | C1D | C2D | H7 | 43.2° | 24.2° |
| C1D | C2D | C3D | H7 | 117.4° | 118.6° |
| C2D | C1D | O4D | H5 | 119.4° | 119.0° |
| C1D | C2D | C3D | C4D | 40.7° | 0.0° |
| C1D | C2D | C3D | O3D | 74.1° | 118.7° |
| C2D | C1D | O4D | C4D | 32.7° | 40.5° |
| C1D | C2D | C3D | H9 | 159.8° | 118.7° |
| C1D | C2D | O2D | H18 | 180.0° | 180.0° |
| C2D | C3D | C4D | C5D | 94.6° | 142.9° |
| C3D | C2D | C1D | O4D | 45.6° | 24.0° |
| C2D | C3D | C4D | O3D | 116.0° | 118.6° |
| C2D | C3D | C4D | H9 | 118.7° | 118.6° |
| C2D | C3D | O3D | H9 | 125.1° | 122.7° |
| C2D | C3D | C4D | O4D | 21.7° | 24.0° |
| C3D | C2D | C1D | H5 | 74.5° | 94.9° |
| C2D | C3D | C4D | H10 | 143.4° | 94.9° |
| C3D | C2D | O2D | H18 | 69.2° | 65.4° |
| C2D | C3D | O3D | H20 | 180.0° | 61.4° |
| O2 | C2 | N3 | H3 | 0.3° | 0.0° |
| C5D | C4D | O4D | C1D | 122.4° | 159.4° |
| C5D | C4D | C3D | O4D | 116.3° | 118.9° |
| C5D | C4D | C3D | H10 | 122.0° | 122.2° |
| C5D | C4D | C3D | O3D | 149.4° | 98.4° |
| C5D | C4D | O4D | H10 | 122.5° | 122.3° |
| C5D | C4D | C3D | H9 | 24.0° | 24.3° |
| C4D | C5D | H13 | H14 | 119.2° | 120.0° |
| C1D | O4D | C4D | C3D | 6.5° | 40.5° |
| O4D | C1D | C2D | H7 | 71.4° | 94.7° |
| C1D | O4D | C4D | H10 | 115.1° | 78.3° |
| C4D | C3D | O3D | H9 | 124.5° | 122.7° |
| C3D | C4D | O4D | H10 | 121.6° | 118.8° |
| C4D | C3D | C2D | H7 | 76.6° | 118.6° |
| C3D | C4D | C5D | H13 | 65.1° | 55.0° |
| C3D | C4D | C5D | H14 | 175.4° | 65.0° |
| C4D | C3D | O3D | H20 | 69.7° | 176.0° |
| O3D | C3D | C4D | O4D | 94.4° | 142.6° |
| O3D | C3D | C2D | H7 | 168.6° | 122.7° |
| O3D | C3D | C4D | H10 | 27.4° | 23.8° |
| C4D | O4D | C1D | H5 | 86.7° | 78.4° |
| O4D | C4D | C3D | H9 | 140.3° | 94.6° |
| O4D | C4D | C5D | H13 | 179.7° | 170.4° |
| O4D | C4D | C5D | H14 | 60.2° | 50.4° |
| H1 | C5 | C6 | H2 | 0.5° | 0.3° |
| H4 | C1' | C2' | H6 | 60.3° | 61.1° |
| H5 | C1D | C2D | H7 | 168.5° | 146.5° |
| H6 | C2' | C3' | H8 | 177.7° | 68.6° |
| H6 | C2' | O2' | H16 | 57.8° | 59.8° |
| H7 | C2D | C3D | H9 | 42.4° | 0.1° |
| H7 | C2D | O2D | H18 | 56.7° | 57.4° |
| H8 | C3' | O3' | H19 | 117.7° | 60.7° |
| H9 | C3D | C4D | H10 | 97.9° | 146.5° |
| H9 | C3D | O3D | H20 | 54.8° | 61.3° |
| H10 | C4D | C5D | H13 | 56.9° | 67.3° |
| H10 | C4D | C5D | H14 | 62.6° | 172.7° |
