QRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S4 | C3 | doub | 1.71Å | 1.60Å | |
| N5 | C3 | sing | 1.35Å | 1.33Å | |
| C3 | C6 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | doub | 1.36Å | 1.39Å | |
| C5 | C4 | sing | 1.42Å | 1.38Å | |
| C6 | N1 | sing | 1.38Å | 1.41Å | |
| O4 | C4 | doub | 1.22Å | 1.26Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| O1P | P | doub | 1.48Å | 1.52Å | |
| P | O3P | sing | 1.61Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| O3P | H1 | sing | 0.97Å | 0.95Å | |
| O2P | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| O3' | H7 | sing | 0.97Å | 0.95Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| O2' | H9 | sing | 0.97Å | 0.95Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S4 | C3 | N5 | 124.2° | 120.0° |
| S4 | C3 | C6 | 123.8° | 120.0° |
| N5 | C3 | C6 | 111.7° | 120.0° |
| C3 | N5 | H13 | 120.0° | 120.0° |
| C3 | N5 | H14 | 120.0° | 120.0° |
| C3 | C6 | C5 | 118.7° | 120.3° |
| C3 | C6 | N1 | 119.3° | 120.3° |
| C6 | C5 | C4 | 117.5° | 118.9° |
| C5 | C6 | N1 | 121.4° | 119.4° |
| C6 | C5 | H11 | 121.3° | 120.5° |
| C5 | C4 | O4 | 123.1° | 120.2° |
| C5 | C4 | N3 | 120.8° | 119.5° |
| C4 | C5 | H11 | 121.2° | 120.6° |
| C6 | N1 | C1' | 120.5° | 119.8° |
| C6 | N1 | C2 | 117.6° | 120.5° |
| O4 | C4 | N3 | 116.1° | 120.3° |
| C4 | N3 | C2 | 122.6° | 120.6° |
| C4 | N3 | H12 | 118.7° | 119.8° |
| C1' | N1 | C2 | 121.8° | 119.7° |
| N1 | C1' | O4' | 108.7° | 110.4° |
| N1 | C1' | C2' | 116.3° | 110.4° |
| N1 | C1' | H10 | 108.7° | 110.4° |
| N1 | C2 | N3 | 119.9° | 121.1° |
| N1 | C2 | O2 | 120.2° | 119.4° |
| O4' | C1' | C2' | 105.5° | 104.8° |
| C1' | O4' | C4' | 111.1° | 105.3° |
| O4' | C1' | H10 | 109.4° | 110.4° |
| C1' | C2' | O2' | 112.6° | 110.6° |
| C1' | C2' | C3' | 102.9° | 104.1° |
| C1' | C2' | H8 | 110.2° | 110.5° |
| C2' | C1' | H10 | 108.1° | 110.4° |
| O4' | C4' | C3' | 106.0° | 104.8° |
| O4' | C4' | C5' | 110.4° | 110.4° |
| O4' | C4' | H5 | 109.6° | 110.5° |
| N3 | C2 | O2 | 119.9° | 119.4° |
| C2 | N3 | H12 | 118.7° | 119.7° |
| O2' | C2' | C3' | 108.2° | 110.5° |
| O2' | C2' | H8 | 112.0° | 110.5° |
| C2' | O2' | H9 | 109.5° | 114.0° |
| O3' | C3' | C2' | 112.3° | 110.7° |
| O3' | C3' | C4' | 111.0° | 110.5° |
| O3' | C3' | H6 | 110.4° | 110.5° |
| C3' | O3' | H7 | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.8° | 104.1° |
| C2' | C3' | H6 | 109.6° | 110.5° |
| C3' | C2' | H8 | 110.6° | 110.5° |
| C3' | C4' | C5' | 113.9° | 110.4° |
| C3' | C4' | H5 | 108.4° | 110.4° |
| C4' | C3' | H6 | 109.5° | 110.5° |
| C4' | C5' | O5' | 107.5° | 109.4° |
| C4' | C5' | H3 | 110.0° | 109.5° |
| C4' | C5' | H4 | 110.0° | 109.4° |
| C5' | C4' | H5 | 108.4° | 110.3° |
| C5' | O5' | P | 121.2° | 123.0° |
| O5' | C5' | H3 | 110.0° | 109.5° |
| O5' | C5' | H4 | 109.9° | 109.5° |
| O5' | P | O1P | 106.5° | 109.5° |
| O5' | P | O3P | 109.4° | 109.5° |
| O5' | P | O2P | 102.4° | 109.5° |
| O1P | P | O3P | 112.6° | 109.4° |
| O1P | P | O2P | 112.1° | 109.5° |
| O3P | P | O2P | 113.2° | 109.5° |
| P | O3P | H1 | 109.5° | 114.0° |
| P | O2P | H2 | 109.5° | 114.0° |
| H3 | C5' | H4 | 109.5° | 109.5° |
| H13 | N5 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S4 | C3 | N5 | C6 | 174.8° | 180.0° |
| S4 | C3 | C6 | C5 | 94.9° | 94.2° |
| S4 | C3 | C6 | N1 | 76.3° | 85.8° |
| S4 | C3 | N5 | H13 | 0.0° | 179.9° |
| S4 | C3 | N5 | H14 | 180.0° | 0.1° |
| N5 | C3 | C6 | C5 | 79.9° | 85.8° |
| N5 | C3 | C6 | N1 | 108.9° | 94.2° |
| C3 | N5 | H13 | H14 | 180.0° | 180.0° |
| C3 | C6 | C5 | N1 | 171.0° | 180.0° |
| C3 | C6 | C5 | C4 | 166.5° | 180.0° |
| C3 | C6 | N1 | C1' | 15.0° | 0.0° |
| C3 | C6 | N1 | C2 | 167.5° | 180.0° |
| C3 | C6 | C5 | H11 | 13.5° | 0.0° |
| C6 | C3 | N5 | H13 | 174.8° | 0.0° |
| C6 | C3 | N5 | H14 | 5.2° | 180.0° |
| C6 | C5 | C4 | H11 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 174.8° | 180.0° |
| C6 | C5 | C4 | N3 | 2.6° | 0.2° |
| C5 | C6 | N1 | C1' | 174.1° | 180.0° |
| C5 | C6 | N1 | C2 | 3.5° | 0.0° |
| C4 | C5 | C6 | N1 | 4.5° | 0.0° |
| C5 | C4 | O4 | N3 | 177.6° | 179.8° |
| C5 | C4 | N3 | C2 | 0.4° | 0.5° |
| C5 | C4 | N3 | H12 | 179.6° | 180.0° |
| C6 | N1 | C1' | C2 | 177.4° | 180.0° |
| C6 | N1 | C1' | O4' | 119.0° | 128.4° |
| C6 | N1 | C1' | C2' | 122.2° | 116.2° |
| C6 | N1 | C2 | N3 | 0.4° | 0.2° |
| C6 | N1 | C2 | O2 | 176.9° | 179.9° |
| C6 | N1 | C1' | H10 | 0.0° | 6.1° |
| N1 | C6 | C5 | H11 | 175.5° | 180.0° |
| O4 | C4 | N3 | C2 | 178.0° | 179.8° |
| O4 | C4 | C5 | H11 | 5.1° | 0.0° |
| O4 | C4 | N3 | H12 | 2.0° | 0.2° |
| C4 | N3 | C2 | N1 | 1.5° | 0.5° |
| C4 | N3 | C2 | H12 | 180.0° | 179.6° |
| C4 | N3 | C2 | O2 | 178.8° | 179.8° |
| N3 | C4 | C5 | H11 | 177.4° | 179.8° |
| N1 | C1' | O4' | C2' | 125.4° | 118.8° |
| N1 | C1' | O4' | H10 | 118.5° | 122.3° |
| N1 | C1' | C2' | H10 | 122.6° | 122.3° |
| N1 | C1' | O4' | C4' | 136.5° | 159.4° |
| C1' | N1 | C2 | N3 | 177.1° | 179.8° |
| N1 | C1' | C2' | O2' | 96.1° | 98.5° |
| C1' | N1 | C2 | O2 | 5.6° | 0.0° |
| N1 | C1' | C2' | C3' | 147.6° | 142.8° |
| N1 | C1' | C2' | H8 | 29.7° | 24.2° |
| C2 | N1 | C1' | O4' | 63.6° | 51.5° |
| C2 | N1 | C1' | C2' | 55.2° | 63.9° |
| N1 | C2 | N3 | O2 | 177.3° | 179.7° |
| C2 | N1 | C1' | H10 | 177.5° | 173.8° |
| N1 | C2 | N3 | H12 | 178.5° | 180.0° |
| O4' | C1' | C2' | H10 | 116.9° | 118.9° |
| O4' | C1' | C2' | O2' | 143.4° | 142.7° |
| O4' | C1' | C2' | C3' | 27.1° | 24.0° |
| C1' | O4' | C4' | C3' | 9.6° | 40.5° |
| C1' | O4' | C4' | C5' | 114.2° | 159.3° |
| C1' | O4' | C4' | H5 | 126.5° | 78.4° |
| O4' | C1' | C2' | H8 | 90.8° | 94.6° |
| C2' | C1' | O4' | C4' | 11.1° | 40.5° |
| C1' | C2' | O2' | C3' | 113.0° | 114.7° |
| C1' | C2' | O2' | H8 | 124.8° | 122.7° |
| C1' | C2' | C3' | O3' | 87.6° | 118.7° |
| C1' | C2' | C3' | H8 | 117.7° | 118.6° |
| C1' | C2' | C3' | C4' | 32.3° | 0.0° |
| C1' | C2' | C3' | H6 | 149.2° | 118.6° |
| C1' | C2' | O2' | H9 | 180.0° | 176.2° |
| O4' | C4' | C3' | O3' | 94.3° | 142.8° |
| O4' | C4' | C3' | C2' | 26.6° | 24.0° |
| O4' | C4' | C3' | C5' | 121.6° | 118.8° |
| O4' | C4' | C3' | H5 | 117.6° | 118.9° |
| O4' | C4' | C5' | H5 | 120.1° | 122.4° |
| O4' | C4' | C5' | O5' | 172.7° | 69.6° |
| O4' | C4' | C5' | H3 | 67.6° | 50.4° |
| O4' | C4' | C5' | H4 | 53.0° | 170.4° |
| O4' | C4' | C3' | H6 | 143.5° | 94.7° |
| C4' | O4' | C1' | H10 | 104.9° | 78.3° |
| O2' | C2' | C3' | O3' | 31.7° | 0.1° |
| O2' | C2' | C3' | H8 | 123.0° | 122.6° |
| O2' | C2' | C3' | C4' | 151.7° | 118.8° |
| O2' | C2' | C3' | H6 | 91.4° | 122.6° |
| O2' | C2' | C1' | H10 | 26.5° | 23.8° |
| O2 | C2 | N3 | H12 | 1.2° | 0.3° |
| O3' | C3' | C2' | C4' | 119.9° | 118.7° |
| O3' | C3' | C2' | H6 | 123.2° | 122.7° |
| O3' | C3' | C4' | H6 | 122.2° | 122.5° |
| O3' | C3' | C4' | C5' | 144.1° | 98.4° |
| O3' | C3' | C4' | H5 | 23.3° | 23.8° |
| O3' | C3' | C2' | H8 | 154.7° | 122.7° |
| C2' | C3' | C4' | H6 | 116.9° | 118.7° |
| C2' | C3' | C4' | C5' | 95.0° | 142.8° |
| C2' | C3' | C4' | H5 | 144.2° | 95.0° |
| C2' | C3' | O3' | H7 | 180.0° | 65.3° |
| C3' | C2' | O2' | H9 | 67.0° | 61.5° |
| C3' | C2' | C1' | H10 | 89.8° | 94.9° |
| C3' | C4' | C5' | H5 | 120.8° | 122.3° |
| C3' | C4' | C5' | O5' | 68.2° | 175.0° |
| C3' | C4' | C5' | H3 | 51.5° | 65.0° |
| C3' | C4' | C5' | H4 | 172.1° | 55.0° |
| C4' | C3' | O3' | H7 | 64.3° | 180.0° |
| C4' | C3' | C2' | H8 | 85.3° | 118.6° |
| C4' | C5' | O5' | H3 | 119.7° | 120.0° |
| C4' | C5' | O5' | H4 | 119.7° | 119.9° |
| C4' | C5' | O5' | P | 174.3° | 180.0° |
| C4' | C5' | H3 | H4 | 120.9° | 120.0° |
| C5' | C4' | C3' | H6 | 21.9° | 24.1° |
| C5' | O5' | P | O1P | 71.0° | 55.0° |
| C5' | O5' | P | O3P | 50.9° | 65.0° |
| C5' | O5' | P | O2P | 171.2° | 175.0° |
| O5' | C5' | H3 | H4 | 120.9° | 120.1° |
| O5' | C5' | C4' | H5 | 52.6° | 52.8° |
| O5' | P | O1P | O3P | 119.9° | 120.0° |
| O5' | P | O1P | O2P | 111.2° | 120.0° |
| O5' | P | O3P | O2P | 113.4° | 120.0° |
| O5' | P | O3P | H1 | 118.2° | 60.0° |
| O5' | P | O2P | H2 | 113.7° | 180.0° |
| P | O5' | C5' | H3 | 66.1° | 60.0° |
| P | O5' | C5' | H4 | 54.6° | 60.0° |
| O1P | P | O3P | O2P | 128.4° | 120.0° |
| O1P | P | O3P | H1 | 0.0° | 179.9° |
| O1P | P | O2P | H2 | 0.0° | 60.0° |
| O3P | P | O2P | H2 | 128.7° | 60.0° |
| O2P | P | O3P | H1 | 128.4° | 60.1° |
| H3 | C5' | C4' | H5 | 172.3° | 172.7° |
| H4 | C5' | C4' | H5 | 67.1° | 67.2° |
| H5 | C4' | C3' | H6 | 98.9° | 146.4° |
| H6 | C3' | O3' | H7 | 57.3° | 57.5° |
| H6 | C3' | C2' | H8 | 31.6° | 0.0° |
| H8 | C2' | O2' | H9 | 55.2° | 61.1° |
| H8 | C2' | C1' | H10 | 152.3° | 146.5° |
