AOF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| O3P | P | doub | 1.48Å | 1.50Å | |
| C2 | N1 | sing | 1.34Å | 1.44Å | |
| C2 | N3 | sing | 1.35Å | 1.44Å | |
| N1 | C6 | sing | 1.38Å | 1.43Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| O5' | P | sing | 1.61Å | 1.60Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| N3 | C4 | sing | 1.35Å | 1.43Å | |
| P | O1P | sing | 1.61Å | 1.61Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| C1' | N1' | sing | 1.46Å | 1.43Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C6 | N1' | sing | 1.38Å | 1.36Å | |
| C6 | C5 | doub | 1.37Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | C3' | sing | 1.54Å | 1.54Å | |
| C4 | C5 | sing | 1.41Å | 1.44Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | N5 | sing | 1.41Å | 1.35Å | |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| O1P | H2 | sing | 0.97Å | 0.95Å | |
| O2P | H3 | sing | 0.97Å | 0.95Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| O2' | H10 | sing | 0.97Å | 0.95Å | |
| C1' | H11 | sing | 1.09Å | 1.10Å | |
| N1' | H12 | sing | 0.97Å | 1.00Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N1 | 94.4° | 119.5° |
| O2 | C2 | N3 | 105.8° | 119.5° |
| O3P | P | O5' | 111.4° | 109.5° |
| O3P | P | O1P | 105.3° | 109.4° |
| O3P | P | O2P | 113.8° | 109.5° |
| N1 | C2 | N3 | 120.9° | 121.1° |
| C2 | N1 | C6 | 117.9° | 120.4° |
| C2 | N1 | H13 | 121.1° | 119.8° |
| C2 | N3 | C4 | 119.0° | 120.6° |
| C2 | N3 | H1 | 120.5° | 119.7° |
| N1 | C6 | N1' | 116.4° | 120.3° |
| N1 | C6 | C5 | 123.2° | 119.3° |
| C6 | N1 | H13 | 121.0° | 119.8° |
| C1' | O4' | C4' | 114.2° | 105.3° |
| O4' | C1' | N1' | 103.6° | 110.4° |
| O4' | C1' | C2' | 102.4° | 104.8° |
| O4' | C1' | H11 | 112.8° | 110.4° |
| O4' | C4' | C5' | 96.4° | 110.4° |
| O4' | C4' | C3' | 105.9° | 104.8° |
| O4' | C4' | H6 | 110.1° | 110.5° |
| P | O5' | C5' | 120.3° | 123.0° |
| O5' | P | O1P | 95.8° | 109.4° |
| O5' | P | O2P | 115.0° | 109.5° |
| O5' | C5' | C4' | 109.3° | 109.4° |
| O5' | C5' | H4 | 109.5° | 109.5° |
| O5' | C5' | H5 | 109.5° | 109.5° |
| N3 | C4 | C5 | 121.3° | 119.5° |
| N3 | C4 | O4 | 116.5° | 120.2° |
| C4 | N3 | H1 | 120.5° | 119.6° |
| O1P | P | O2P | 113.8° | 109.5° |
| P | O1P | H2 | 109.5° | 114.0° |
| P | O2P | H3 | 109.5° | 114.0° |
| N1' | C1' | C2' | 112.6° | 110.4° |
| C1' | N1' | C6 | 131.2° | 120.0° |
| N1' | C1' | H11 | 113.0° | 110.3° |
| C1' | N1' | H12 | 103.8° | 120.0° |
| C1' | C2' | O2' | 118.8° | 110.6° |
| C1' | C2' | C3' | 107.3° | 104.1° |
| C1' | C2' | H9 | 107.9° | 110.5° |
| C2' | C1' | H11 | 111.6° | 110.5° |
| O2' | C2' | C3' | 105.6° | 110.5° |
| O2' | C2' | H9 | 109.1° | 110.4° |
| C2' | O2' | H10 | 109.5° | 114.0° |
| N1' | C6 | C5 | 120.4° | 120.4° |
| C6 | N1' | H12 | 103.8° | 120.0° |
| C6 | C5 | C4 | 117.6° | 119.1° |
| C6 | C5 | N5 | 119.7° | 120.5° |
| C5' | C4' | C3' | 125.0° | 110.4° |
| C4' | C5' | H4 | 109.5° | 109.5° |
| C4' | C5' | H5 | 109.5° | 109.5° |
| C5' | C4' | H6 | 109.2° | 110.4° |
| C4' | C3' | C2' | 102.8° | 104.1° |
| C4' | C3' | O3' | 94.4° | 110.5° |
| C3' | C4' | H6 | 108.9° | 110.4° |
| C4' | C3' | H7 | 111.9° | 110.5° |
| C2' | C3' | O3' | 120.4° | 110.7° |
| C2' | C3' | H7 | 111.8° | 110.5° |
| C3' | C2' | H9 | 107.6° | 110.5° |
| C5 | C4 | O4 | 122.2° | 120.2° |
| C4 | C5 | N5 | 122.7° | 120.4° |
| C5 | N5 | H14 | 109.5° | 120.0° |
| C5 | N5 | H15 | 109.4° | 120.0° |
| O3' | C3' | H7 | 113.3° | 110.5° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| H4 | C5' | H5 | 109.5° | 109.5° |
| H14 | N5 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N1 | N3 | 111.4° | 179.7° |
| O2 | C2 | N1 | C6 | 111.6° | 179.7° |
| O2 | C2 | N3 | C4 | 105.3° | 179.7° |
| O2 | C2 | N3 | H1 | 74.7° | 0.3° |
| O2 | C2 | N1 | H13 | 68.4° | 0.3° |
| O3P | P | O5' | O1P | 109.0° | 119.9° |
| O3P | P | O5' | O2P | 131.3° | 120.0° |
| O3P | P | O5' | C5' | 154.5° | 55.0° |
| O3P | P | O1P | O2P | 125.3° | 120.0° |
| O3P | P | O1P | H2 | 0.0° | 60.1° |
| O3P | P | O2P | H3 | 0.0° | 179.9° |
| C2 | N1 | C6 | H13 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | N1 | C6 | N1' | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| N1 | C2 | N3 | H1 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | N3 | C4 | H1 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | O4 | 179.8° | 180.0° |
| N3 | C2 | N1 | H13 | 179.8° | 179.9° |
| N1 | C6 | N1' | C1' | 0.3° | 0.0° |
| N1 | C6 | N1' | C5 | 179.8° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N5 | 179.9° | 180.0° |
| N1 | C6 | N1' | H12 | 123.0° | 180.0° |
| O4' | C1' | N1' | C2' | 109.9° | 115.4° |
| O4' | C1' | N1' | H11 | 122.4° | 122.2° |
| O4' | C1' | C2' | H11 | 120.9° | 118.9° |
| O4' | C1' | C2' | O2' | 93.8° | 142.7° |
| O4' | C1' | N1' | C6 | 112.5° | 96.4° |
| C1' | O4' | C4' | C5' | 130.3° | 159.3° |
| C1' | O4' | C4' | C3' | 1.1° | 40.5° |
| O4' | C1' | C2' | C3' | 25.7° | 24.0° |
| C1' | O4' | C4' | H6 | 116.5° | 78.3° |
| O4' | C1' | C2' | H9 | 141.5° | 94.7° |
| O4' | C1' | N1' | H12 | 10.3° | 83.6° |
| O4' | C4' | C5' | O5' | 66.2° | 69.7° |
| C4' | O4' | C1' | N1' | 102.0° | 159.4° |
| C4' | O4' | C1' | C2' | 15.4° | 40.5° |
| O4' | C4' | C5' | C3' | 114.6° | 115.3° |
| O4' | C4' | C5' | H6 | 113.9° | 122.4° |
| O4' | C4' | C3' | H6 | 118.4° | 118.9° |
| O4' | C4' | C3' | C2' | 16.9° | 24.0° |
| O4' | C4' | C3' | O3' | 139.4° | 142.8° |
| O4' | C4' | C5' | H4 | 53.7° | 50.3° |
| O4' | C4' | C5' | H5 | 173.8° | 170.4° |
| O4' | C4' | C3' | H7 | 103.2° | 94.7° |
| C4' | O4' | C1' | H11 | 135.4° | 78.4° |
| O5' | P | O1P | O2P | 120.6° | 120.0° |
| P | O5' | C5' | C4' | 179.0° | 180.0° |
| O5' | P | O1P | H2 | 114.1° | 180.0° |
| O5' | P | O2P | H3 | 130.1° | 60.0° |
| P | O5' | C5' | H4 | 61.0° | 60.0° |
| P | O5' | C5' | H5 | 59.1° | 60.0° |
| C5' | O5' | P | O1P | 96.5° | 175.0° |
| C5' | O5' | P | O2P | 23.2° | 65.0° |
| O5' | C5' | C4' | H4 | 120.0° | 120.0° |
| O5' | C5' | C4' | H5 | 120.0° | 120.0° |
| O5' | C5' | C4' | C3' | 179.2° | 175.0° |
| O5' | C5' | H4 | H5 | 120.1° | 120.0° |
| O5' | C5' | C4' | H6 | 47.6° | 52.8° |
| N3 | C4 | C5 | C6 | 0.2° | 0.1° |
| N3 | C4 | C5 | O4 | 180.0° | 180.0° |
| N3 | C4 | C5 | N5 | 180.0° | 180.0° |
| O1P | P | O2P | H3 | 120.7° | 60.0° |
| O2P | P | O1P | H2 | 125.3° | 59.9° |
| N1' | C1' | C2' | H11 | 128.4° | 122.3° |
| N1' | C1' | C2' | O2' | 155.5° | 98.4° |
| C1' | N1' | C6 | H12 | 122.8° | 180.0° |
| C1' | N1' | C6 | C5 | 179.5° | 180.0° |
| N1' | C1' | C2' | C3' | 84.9° | 142.9° |
| N1' | C1' | C2' | H9 | 30.8° | 24.2° |
| C1' | C2' | O2' | C3' | 120.5° | 114.7° |
| C1' | C2' | O2' | H9 | 124.1° | 122.7° |
| C2' | C1' | N1' | C6 | 137.7° | 148.2° |
| C1' | C2' | C3' | C4' | 26.6° | 0.0° |
| C1' | C2' | C3' | H9 | 115.9° | 118.6° |
| C1' | C2' | C3' | O3' | 129.7° | 118.7° |
| C1' | C2' | C3' | H7 | 93.6° | 118.6° |
| C1' | C2' | O2' | H10 | 180.0° | 65.3° |
| C2' | C1' | N1' | H12 | 99.6° | 31.9° |
| O2' | C2' | C3' | C4' | 101.1° | 118.8° |
| O2' | C2' | C3' | H9 | 116.4° | 122.6° |
| O2' | C2' | C3' | O3' | 2.0° | 0.1° |
| O2' | C2' | C3' | H7 | 138.8° | 122.6° |
| O2' | C2' | C1' | H11 | 27.1° | 23.8° |
| N1' | C6 | C5 | C4 | 179.7° | 179.9° |
| N1' | C6 | C5 | N5 | 0.1° | 0.0° |
| C6 | N1' | C1' | H11 | 10.0° | 25.8° |
| N1' | C6 | N1 | H13 | 0.1° | 0.1° |
| C6 | C5 | C4 | N5 | 179.8° | 179.9° |
| C6 | C5 | C4 | O4 | 179.8° | 180.0° |
| C5 | C6 | N1' | H12 | 56.7° | 0.0° |
| C5 | C6 | N1 | H13 | 179.9° | 179.9° |
| C6 | C5 | N5 | H14 | 180.0° | 0.0° |
| C6 | C5 | N5 | H15 | 60.0° | 180.0° |
| C5' | C4' | C3' | H6 | 131.7° | 122.2° |
| C5' | C4' | C3' | C2' | 126.8° | 142.8° |
| C5' | C4' | C3' | O3' | 110.6° | 98.4° |
| C4' | C5' | H4 | H5 | 120.1° | 120.0° |
| C5' | C4' | C3' | H7 | 6.7° | 24.2° |
| C4' | C3' | C2' | O3' | 103.1° | 118.7° |
| C4' | C3' | C2' | H7 | 120.2° | 118.6° |
| C4' | C3' | O3' | H7 | 116.1° | 122.6° |
| C3' | C4' | C5' | H4 | 60.8° | 65.0° |
| C3' | C4' | C5' | H5 | 59.2° | 55.0° |
| C4' | C3' | O3' | H8 | 180.0° | 179.9° |
| C4' | C3' | C2' | H9 | 142.5° | 118.6° |
| C2' | C3' | O3' | H7 | 136.2° | 122.7° |
| C2' | C3' | C4' | H6 | 101.5° | 95.0° |
| C2' | C3' | O3' | H8 | 72.3° | 65.3° |
| C3' | C2' | O2' | H10 | 59.5° | 180.0° |
| C3' | C2' | C1' | H11 | 146.6° | 94.9° |
| C5 | C4 | N3 | H1 | 179.8° | 179.9° |
| C4 | C5 | N5 | H14 | 0.2° | 179.9° |
| C4 | C5 | N5 | H15 | 119.8° | 0.1° |
| O4 | C4 | C5 | N5 | 0.0° | 0.1° |
| O4 | C4 | N3 | H1 | 0.2° | 0.0° |
| C5 | N5 | H14 | H15 | 120.0° | 180.0° |
| O3' | C3' | C4' | H6 | 21.1° | 23.9° |
| O3' | C3' | C2' | H9 | 114.5° | 122.6° |
| H4 | C5' | C4' | H6 | 167.6° | 172.7° |
| H5 | C5' | C4' | H6 | 72.3° | 67.2° |
| H6 | C4' | C3' | H7 | 138.4° | 146.4° |
| H7 | C3' | O3' | H8 | 63.9° | 57.4° |
| H7 | C3' | C2' | H9 | 22.3° | 0.0° |
| H9 | C2' | O2' | H10 | 55.9° | 57.4° |
| H9 | C2' | C1' | H11 | 97.6° | 146.4° |
| H11 | C1' | N1' | H12 | 132.8° | 154.2° |
