2LJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| O4' | C4' | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.53Å | 1.53Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C1' | N8 | sing | 1.46Å | 1.45Å | |
| N8 | C8A | sing | 1.37Å | 1.33Å | |
| C8A | N1 | sing | 1.37Å | 1.36Å | |
| C8A | C4A | doub | 1.39Å | 1.43Å | |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| N5 | C4A | sing | 1.37Å | 1.39Å | |
| N5 | C6 | doub | 1.29Å | 1.29Å | |
| C4A | C4 | sing | 1.42Å | 1.48Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.34Å | 1.37Å | |
| C7 | C6 | sing | 1.51Å | 1.47Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| N8 | H9 | sing | 0.97Å | 1.00Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C1' | H11 | sing | 1.09Å | 1.10Å | |
| C2' | H12 | sing | 1.09Å | 1.10Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| C3' | H14 | sing | 1.09Å | 1.10Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| C4' | H16 | sing | 1.09Å | 1.10Å | |
| O4' | H17 | sing | 0.97Å | 0.95Å | |
| C5' | H18 | sing | 1.09Å | 1.10Å | |
| C5' | H19 | sing | 1.09Å | 1.10Å | |
| O5' | H20 | sing | 0.97Å | 0.95Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5' | C5' | C4' | 111.2° | 109.5° |
| O5' | C5' | H18 | 109.0° | 109.5° |
| O5' | C5' | H19 | 109.0° | 109.5° |
| C5' | O5' | H20 | 109.5° | 114.0° |
| C5' | C4' | O4' | 109.2° | 109.4° |
| C5' | C4' | C3' | 115.1° | 109.5° |
| C5' | C4' | H16 | 107.4° | 109.5° |
| C4' | C5' | H18 | 109.0° | 109.4° |
| C4' | C5' | H19 | 109.0° | 109.5° |
| O4' | C4' | C3' | 108.9° | 109.5° |
| O4' | C4' | H16 | 108.7° | 109.5° |
| C4' | O4' | H17 | 109.5° | 114.0° |
| C4' | C3' | C2' | 115.3° | 109.5° |
| C4' | C3' | O3' | 109.5° | 109.5° |
| C4' | C3' | H14 | 106.6° | 109.4° |
| C3' | C4' | H16 | 107.4° | 109.5° |
| O2' | C2' | C3' | 110.4° | 109.5° |
| O2' | C2' | C1' | 110.8° | 109.5° |
| O2' | C2' | H12 | 108.5° | 109.4° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| C2' | C3' | O3' | 110.6° | 109.5° |
| C3' | C2' | C1' | 112.5° | 109.5° |
| C3' | C2' | H12 | 107.2° | 109.5° |
| C2' | C3' | H14 | 106.6° | 109.5° |
| O3' | C3' | H14 | 107.9° | 109.4° |
| C3' | O3' | H15 | 109.5° | 113.9° |
| C2' | C1' | N8 | 115.9° | 109.5° |
| C2' | C1' | H10 | 107.8° | 109.5° |
| C2' | C1' | H11 | 107.8° | 109.5° |
| C1' | C2' | H12 | 107.3° | 109.4° |
| C1' | N8 | C8A | 129.3° | 120.0° |
| C1' | N8 | H9 | 104.3° | 120.0° |
| N8 | C1' | H10 | 107.8° | 109.5° |
| N8 | C1' | H11 | 107.9° | 109.4° |
| N8 | C8A | N1 | 118.4° | 120.4° |
| N8 | C8A | C4A | 121.1° | 120.4° |
| C8A | N8 | H9 | 104.3° | 120.0° |
| N1 | C8A | C4A | 120.3° | 119.1° |
| C8A | N1 | C2 | 123.2° | 120.5° |
| C8A | N1 | H8 | 118.4° | 119.7° |
| C8A | C4A | N5 | 113.8° | 120.7° |
| C8A | C4A | C4 | 118.6° | 118.6° |
| N1 | C2 | O2 | 121.6° | 119.2° |
| N1 | C2 | N3 | 116.6° | 121.5° |
| C2 | N1 | H8 | 118.4° | 119.8° |
| C4A | N5 | C6 | 120.8° | 119.9° |
| N5 | C4A | C4 | 127.5° | 120.7° |
| N5 | C6 | C7 | 121.5° | 120.0° |
| N5 | C6 | H1 | 119.2° | 120.1° |
| C4A | C4 | N3 | 114.2° | 119.4° |
| C4A | C4 | O4 | 126.4° | 120.3° |
| C8 | C7 | C6 | 118.8° | 109.5° |
| C8 | C7 | H2 | 107.1° | 109.5° |
| C8 | C7 | H3 | 107.1° | 109.5° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.4° |
| C7 | C8 | H6 | 109.4° | 109.5° |
| O2 | C2 | N3 | 121.8° | 119.3° |
| C2 | N3 | C4 | 127.2° | 120.8° |
| C2 | N3 | H7 | 116.4° | 119.6° |
| C7 | C6 | H1 | 119.3° | 120.0° |
| C6 | C7 | H2 | 107.1° | 109.4° |
| C6 | C7 | H3 | 107.1° | 109.5° |
| N3 | C4 | O4 | 119.4° | 120.3° |
| C4 | N3 | H7 | 116.4° | 119.6° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H10 | C1' | H11 | 109.5° | 109.5° |
| H18 | C5' | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H18 | 120.3° | 120.0° |
| O5' | C5' | C4' | H19 | 120.3° | 120.0° |
| O5' | C5' | C4' | O4' | 55.3° | 65.0° |
| O5' | C5' | C4' | C3' | 178.1° | 175.0° |
| O5' | C5' | C4' | H16 | 62.4° | 55.0° |
| O5' | C5' | H18 | H19 | 119.2° | 120.0° |
| C5' | C4' | O4' | C3' | 126.4° | 120.0° |
| C5' | C4' | O4' | H16 | 116.9° | 120.0° |
| C5' | C4' | C3' | H16 | 119.5° | 120.0° |
| C5' | C4' | C3' | C2' | 72.3° | 180.0° |
| C5' | C4' | C3' | O3' | 53.1° | 60.0° |
| C5' | C4' | C3' | H14 | 169.6° | 60.0° |
| C5' | C4' | O4' | H17 | 180.0° | 60.0° |
| C4' | C5' | H18 | H19 | 119.2° | 120.0° |
| C4' | C5' | O5' | H20 | 180.0° | 180.0° |
| O4' | C4' | C3' | H16 | 117.6° | 120.0° |
| O4' | C4' | C3' | C2' | 164.7° | 60.0° |
| O4' | C4' | C3' | O3' | 69.8° | 180.0° |
| O4' | C4' | C3' | H14 | 46.7° | 60.0° |
| O4' | C4' | C5' | H18 | 65.0° | 175.0° |
| O4' | C4' | C5' | H19 | 175.6° | 55.0° |
| C4' | C3' | C2' | O2' | 69.2° | 60.0° |
| C4' | C3' | C2' | O3' | 124.9° | 120.0° |
| C4' | C3' | C2' | H14 | 118.1° | 120.0° |
| C4' | C3' | O3' | H14 | 115.6° | 119.9° |
| C4' | C3' | C2' | C1' | 166.5° | 180.0° |
| C4' | C3' | C2' | H12 | 48.8° | 60.0° |
| C4' | C3' | O3' | H15 | 180.0° | 60.0° |
| C3' | C4' | O4' | H17 | 53.6° | 60.0° |
| C3' | C4' | C5' | H18 | 57.8° | 55.0° |
| C3' | C4' | C5' | H19 | 61.6° | 65.0° |
| O2' | C2' | C3' | C1' | 124.3° | 120.0° |
| O2' | C2' | C3' | H12 | 118.0° | 120.0° |
| O2' | C2' | C3' | O3' | 165.9° | 180.0° |
| O2' | C2' | C1' | H12 | 118.2° | 119.9° |
| O2' | C2' | C1' | N8 | 49.8° | 60.0° |
| O2' | C2' | C1' | H10 | 170.7° | 180.0° |
| O2' | C2' | C1' | H11 | 71.2° | 60.0° |
| O2' | C2' | C3' | H14 | 48.9° | 60.0° |
| C2' | C3' | O3' | H14 | 116.2° | 120.0° |
| C3' | C2' | C1' | H12 | 117.7° | 120.1° |
| C3' | C2' | C1' | N8 | 74.3° | 180.0° |
| C3' | C2' | C1' | H10 | 46.6° | 60.0° |
| C3' | C2' | C1' | H11 | 164.7° | 60.0° |
| C3' | C2' | O2' | H13 | 180.0° | 60.0° |
| C2' | C3' | O3' | H15 | 51.8° | 60.0° |
| C2' | C3' | C4' | H16 | 47.2° | 60.0° |
| O3' | C3' | C2' | C1' | 41.6° | 60.0° |
| O3' | C3' | C2' | H12 | 76.1° | 60.1° |
| O3' | C3' | C4' | H16 | 172.6° | 60.0° |
| C2' | C1' | N8 | H10 | 120.9° | 120.0° |
| C2' | C1' | N8 | H11 | 120.9° | 120.0° |
| C2' | C1' | N8 | C8A | 100.5° | 180.0° |
| C2' | C1' | N8 | H9 | 137.0° | 0.0° |
| C2' | C1' | H10 | H11 | 117.1° | 120.0° |
| C1' | C2' | O2' | H13 | 54.7° | 60.0° |
| C1' | C2' | C3' | H14 | 75.5° | 60.0° |
| C1' | N8 | C8A | H9 | 122.6° | 180.0° |
| C1' | N8 | C8A | N1 | 6.0° | 0.0° |
| C1' | N8 | C8A | C4A | 168.3° | 179.7° |
| N8 | C1' | H10 | H11 | 117.1° | 120.0° |
| N8 | C1' | C2' | H12 | 168.0° | 60.0° |
| N8 | C8A | N1 | C4A | 174.3° | 179.8° |
| N8 | C8A | N1 | C2 | 174.0° | 180.0° |
| N8 | C8A | C4A | N5 | 2.4° | 0.2° |
| N8 | C8A | C4A | C4 | 174.0° | 179.7° |
| C8A | N8 | C1' | H10 | 20.5° | 60.0° |
| C8A | N8 | C1' | H11 | 138.6° | 60.0° |
| N8 | C8A | N1 | H8 | 5.9° | 0.1° |
| C8A | N1 | C2 | H8 | 180.0° | 179.9° |
| N1 | C8A | C4A | N5 | 176.6° | 179.9° |
| N1 | C8A | C4A | C4 | 0.2° | 0.0° |
| C8A | N1 | C2 | O2 | 177.6° | 180.0° |
| C8A | N1 | C2 | N3 | 0.4° | 0.2° |
| N1 | C8A | N8 | H9 | 128.6° | 180.0° |
| C4A | C8A | N1 | C2 | 0.3° | 0.2° |
| C8A | C4A | N5 | C4 | 176.0° | 179.9° |
| C8A | C4A | N5 | C6 | 173.1° | 131.8° |
| C8A | C4A | C4 | N3 | 0.2° | 0.3° |
| C8A | C4A | C4 | O4 | 178.7° | 180.0° |
| C4A | C8A | N8 | H9 | 45.7° | 0.2° |
| C4A | C8A | N1 | H8 | 179.7° | 179.7° |
| N1 | C2 | O2 | N3 | 177.9° | 179.8° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| N1 | C2 | N3 | H7 | 179.6° | 179.9° |
| C4A | N5 | C6 | C7 | 180.0° | 174.9° |
| N5 | C4A | C4 | N3 | 176.0° | 179.8° |
| N5 | C4A | C4 | O4 | 2.9° | 0.1° |
| C4A | N5 | C6 | H1 | 0.0° | 5.1° |
| C6 | N5 | C4A | C4 | 2.9° | 48.2° |
| N5 | C6 | C7 | C8 | 37.7° | 125.0° |
| N5 | C6 | C7 | H1 | 180.0° | 180.0° |
| N5 | C6 | C7 | H2 | 159.0° | 115.0° |
| N5 | C6 | C7 | H3 | 83.6° | 4.9° |
| C4A | C4 | N3 | C2 | 0.4° | 0.3° |
| C4A | C4 | N3 | O4 | 179.0° | 179.7° |
| C4A | C4 | N3 | H7 | 179.6° | 179.8° |
| C8 | C7 | C6 | H2 | 121.3° | 120.0° |
| C8 | C7 | C6 | H3 | 121.3° | 120.1° |
| C8 | C7 | C6 | H1 | 142.3° | 55.0° |
| C8 | C7 | H2 | H3 | 115.8° | 120.1° |
| C7 | C8 | H4 | H5 | 120.0° | 119.9° |
| C7 | C8 | H4 | H6 | 120.0° | 120.0° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| O2 | C2 | N3 | C4 | 177.5° | 179.7° |
| O2 | C2 | N3 | H7 | 2.5° | 0.1° |
| O2 | C2 | N1 | H8 | 2.4° | 0.1° |
| C2 | N3 | C4 | H7 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 178.7° | 180.0° |
| N3 | C2 | N1 | H8 | 179.6° | 179.7° |
| C6 | C7 | H2 | H3 | 115.8° | 119.9° |
| C6 | C7 | C8 | H4 | 180.0° | 60.0° |
| C6 | C7 | C8 | H5 | 60.0° | 180.0° |
| C6 | C7 | C8 | H6 | 60.0° | 60.0° |
| O4 | C4 | N3 | H7 | 1.3° | 0.1° |
| H1 | C6 | C7 | H2 | 21.0° | 65.0° |
| H1 | C6 | C7 | H3 | 96.4° | 175.1° |
| H2 | C7 | C8 | H4 | 58.7° | 59.9° |
| H2 | C7 | C8 | H5 | 61.3° | 60.0° |
| H2 | C7 | C8 | H6 | 178.7° | 180.0° |
| H3 | C7 | C8 | H4 | 58.7° | 179.9° |
| H3 | C7 | C8 | H5 | 178.7° | 60.0° |
| H3 | C7 | C8 | H6 | 61.3° | 60.0° |
| H4 | C8 | H5 | H6 | 120.0° | 120.1° |
| H9 | N8 | C1' | H10 | 102.1° | 120.0° |
| H9 | N8 | C1' | H11 | 16.1° | 120.0° |
| H10 | C1' | C2' | H12 | 71.1° | 60.1° |
| H11 | C1' | C2' | H12 | 47.0° | 179.9° |
| H12 | C2' | O2' | H13 | 62.8° | 180.0° |
| H12 | C2' | C3' | H14 | 166.9° | 180.0° |
| H14 | C3' | O3' | H15 | 64.4° | 179.9° |
| H14 | C3' | C4' | H16 | 70.9° | 180.0° |
| H16 | C4' | O4' | H17 | 63.1° | 180.0° |
| H16 | C4' | C5' | H18 | 177.3° | 65.0° |
| H16 | C4' | C5' | H19 | 57.9° | 175.0° |
| H18 | C5' | O5' | H20 | 59.7° | 60.0° |
| H19 | C5' | O5' | H20 | 59.7° | 60.0° |
