UBD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| C2 | N1 | sing | 1.35Å | 1.45Å | |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | N1 | sing | 1.37Å | 1.40Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | C1' | sing | 1.46Å | 1.51Å | |
| P1 | O5' | sing | 1.61Å | 1.61Å | |
| P1 | O3P | doub | 1.48Å | 1.63Å | |
| P1 | O2P | sing | 1.61Å | 1.51Å | |
| P1 | O1P | sing | 1.61Å | 1.52Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.48Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | P2 | sing | 1.61Å | 1.63Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| P2 | O5P | doub | 1.48Å | 1.50Å | |
| P2 | O4P | sing | 1.61Å | 1.51Å | |
| P2 | O6P | sing | 1.61Å | 1.60Å | |
| O4P | HO4P | sing | 0.97Å | 0.95Å | |
| O6P | HO6P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 119.9° | 119.6° |
| O2 | C2 | N1 | 121.1° | 119.5° |
| N3 | C2 | N1 | 119.0° | 120.9° |
| C2 | N3 | C4 | 120.3° | 120.3° |
| C2 | N3 | HN3 | 119.8° | 119.8° |
| C2 | N1 | C6 | 119.7° | 120.6° |
| C2 | N1 | C1' | 118.9° | 119.7° |
| N3 | C4 | O4 | 119.8° | 120.3° |
| N3 | C4 | C5 | 120.1° | 119.4° |
| C4 | N3 | HN3 | 119.9° | 119.8° |
| O4 | C4 | C5 | 120.1° | 120.3° |
| C4 | C5 | C6 | 119.5° | 119.1° |
| C4 | C5 | H5 | 120.3° | 120.4° |
| C6 | C5 | H5 | 120.3° | 120.5° |
| C5 | C6 | N1 | 121.4° | 119.7° |
| C5 | C6 | H6 | 119.3° | 120.1° |
| N1 | C6 | H6 | 119.3° | 120.2° |
| C6 | N1 | C1' | 121.3° | 119.7° |
| N1 | C1' | O4' | 112.5° | 110.6° |
| N1 | C1' | C2' | 112.8° | 110.6° |
| N1 | C1' | H1' | 104.4° | 110.6° |
| O5' | P1 | O3P | 105.1° | 109.5° |
| O5' | P1 | O2P | 109.2° | 109.5° |
| O5' | P1 | O1P | 111.5° | 109.5° |
| P1 | O5' | C5' | 120.5° | 123.0° |
| O3P | P1 | O2P | 107.5° | 109.5° |
| O3P | P1 | O1P | 111.8° | 109.5° |
| O2P | P1 | O1P | 111.5° | 109.5° |
| P1 | O2P | HO2P | 109.5° | 114.0° |
| P1 | O1P | HO1P | 109.5° | 114.0° |
| O5' | C5' | C4' | 112.0° | 109.5° |
| O5' | C5' | H5'1 | 108.6° | 109.5° |
| O5' | C5' | H5'2 | 108.1° | 109.5° |
| C4' | C5' | H5'1 | 108.6° | 109.5° |
| C4' | C5' | H5'2 | 108.1° | 109.5° |
| C5' | C4' | O4' | 113.1° | 109.9° |
| C5' | C4' | C3' | 113.4° | 109.9° |
| C5' | C4' | H4' | 102.8° | 109.9° |
| H5'1 | C5' | H5'2 | 111.4° | 109.4° |
| O4' | C4' | C3' | 105.0° | 107.3° |
| O4' | C4' | H4' | 111.5° | 109.9° |
| C4' | O4' | C1' | 110.4° | 107.0° |
| C3' | C4' | H4' | 111.2° | 110.0° |
| C4' | C3' | O3' | 107.0° | 110.4° |
| C4' | C3' | C2' | 105.6° | 104.2° |
| C4' | C3' | H3' | 114.1° | 110.5° |
| O4' | C1' | C2' | 107.6° | 103.5° |
| O4' | C1' | H1' | 110.0° | 110.6° |
| O3' | C3' | C2' | 111.1° | 110.5° |
| O3' | C3' | H3' | 108.8° | 110.4° |
| C3' | O3' | P2 | 122.3° | 123.0° |
| C2' | C3' | H3' | 110.2° | 110.6° |
| C3' | C2' | C1' | 104.3° | 102.1° |
| C3' | C2' | O2' | 111.9° | 110.9° |
| C3' | C2' | H2' | 112.7° | 110.9° |
| O3' | P2 | O5P | 108.7° | 109.5° |
| O3' | P2 | O4P | 109.4° | 109.5° |
| O3' | P2 | O6P | 110.0° | 109.5° |
| C1' | C2' | O2' | 113.0° | 110.9° |
| C1' | C2' | H2' | 111.4° | 110.9° |
| C2' | C1' | H1' | 109.6° | 110.7° |
| O2' | C2' | H2' | 103.8° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| O5P | P2 | O4P | 109.7° | 109.4° |
| O5P | P2 | O6P | 109.5° | 109.5° |
| O4P | P2 | O6P | 109.6° | 109.5° |
| P2 | O4P | HO4P | 109.5° | 113.9° |
| P2 | O6P | HO6P | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.8° | 179.7° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2 | C2 | N1 | C6 | 179.9° | 180.0° |
| O2 | C2 | N1 | C1' | 0.2° | 0.0° |
| O2 | C2 | N3 | HN3 | 0.1° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| N3 | C2 | N1 | C6 | 0.0° | 0.3° |
| N3 | C2 | N1 | C1' | 179.7° | 179.7° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | C1' | 179.7° | 180.0° |
| C2 | N1 | C6 | H6 | 180.0° | 179.7° |
| C2 | N1 | C1' | O4' | 146.5° | 126.5° |
| C2 | N1 | C1' | C2' | 91.6° | 119.5° |
| C2 | N1 | C1' | H1' | 27.3° | 3.6° |
| N1 | C2 | N3 | HN3 | 180.0° | 179.8° |
| N3 | C4 | O4 | C5 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.3° |
| N3 | C4 | C5 | H5 | 179.9° | 180.0° |
| O4 | C4 | C5 | C6 | 180.0° | 179.7° |
| O4 | C4 | C5 | H5 | 0.0° | 0.1° |
| O4 | C4 | N3 | HN3 | 0.0° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | N1 | 0.0° | 0.3° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | N3 | HN3 | 180.0° | 180.0° |
| C5 | C6 | N1 | H6 | 180.0° | 179.7° |
| C5 | C6 | N1 | C1' | 179.7° | 180.0° |
| H5 | C5 | C6 | N1 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.3° |
| C6 | N1 | C1' | O4' | 33.2° | 53.5° |
| C6 | N1 | C1' | C2' | 88.7° | 60.5° |
| C6 | N1 | C1' | H1' | 152.4° | 176.4° |
| H6 | C6 | N1 | C1' | 0.4° | 0.3° |
| N1 | C1' | O4' | C4' | 127.8° | 158.6° |
| N1 | C1' | O4' | C2' | 124.9° | 118.5° |
| N1 | C1' | O4' | H1' | 115.9° | 122.9° |
| N1 | C1' | C2' | C3' | 143.1° | 155.5° |
| N1 | C1' | C2' | H1' | 115.8° | 123.0° |
| N1 | C1' | C2' | O2' | 95.2° | 86.3° |
| N1 | C1' | C2' | H2' | 21.2° | 37.4° |
| O5' | P1 | O3P | O2P | 116.2° | 120.0° |
| O5' | P1 | O3P | O1P | 121.1° | 120.0° |
| O5' | P1 | O2P | O1P | 123.7° | 120.0° |
| O5' | P1 | O1P | HO1P | 31.5° | 179.9° |
| O5' | P1 | O2P | HO2P | 149.0° | 60.0° |
| P1 | O5' | C5' | C4' | 148.6° | 180.0° |
| P1 | O5' | C5' | H5'1 | 28.6° | 60.0° |
| P1 | O5' | C5' | H5'2 | 92.4° | 60.0° |
| O3P | P1 | O2P | O1P | 122.9° | 120.0° |
| O3P | P1 | O1P | HO1P | 85.9° | 60.1° |
| O3P | P1 | O2P | HO2P | 97.6° | 180.0° |
| O3P | P1 | O5' | C5' | 57.8° | 55.0° |
| O2P | P1 | O1P | HO1P | 153.8° | 60.0° |
| O2P | P1 | O5' | C5' | 172.8° | 65.0° |
| O1P | P1 | O2P | HO2P | 25.3° | 60.0° |
| O1P | P1 | O5' | C5' | 63.6° | 175.0° |
| O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'2 | 118.9° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.0° | 119.9° |
| O5' | C5' | C4' | O4' | 52.8° | 66.5° |
| O5' | C5' | C4' | C3' | 66.6° | 175.7° |
| O5' | C5' | C4' | H4' | 173.2° | 54.5° |
| C4' | C5' | H5'1 | H5'2 | 119.0° | 120.0° |
| C5' | C4' | O4' | C3' | 124.1° | 119.4° |
| C5' | C4' | O4' | H4' | 115.3° | 121.0° |
| C5' | C4' | C3' | H4' | 115.3° | 121.1° |
| C5' | C4' | O4' | C1' | 110.5° | 145.9° |
| C5' | C4' | C3' | O3' | 142.5° | 119.9° |
| C5' | C4' | C3' | C2' | 99.0° | 121.4° |
| C5' | C4' | C3' | H3' | 22.1° | 2.6° |
| H5'1 | C5' | C4' | O4' | 172.8° | 53.5° |
| H5'1 | C5' | C4' | C3' | 53.4° | 64.2° |
| H5'1 | C5' | C4' | H4' | 66.8° | 174.5° |
| H5'2 | C5' | C4' | O4' | 66.2° | 173.5° |
| H5'2 | C5' | C4' | C3' | 174.4° | 55.7° |
| H5'2 | C5' | C4' | H4' | 54.2° | 65.5° |
| O4' | C4' | C3' | H4' | 120.8° | 119.5° |
| O4' | C4' | C3' | O3' | 93.5° | 120.7° |
| O4' | C4' | C3' | C2' | 24.9° | 2.1° |
| O4' | C4' | C3' | H3' | 146.0° | 116.8° |
| C4' | O4' | C1' | C2' | 3.0° | 40.1° |
| C4' | O4' | C1' | H1' | 116.3° | 78.5° |
| C3' | C4' | O4' | C1' | 13.7° | 26.6° |
| C4' | C3' | O3' | C2' | 114.8° | 114.8° |
| C4' | C3' | O3' | H3' | 123.7° | 122.5° |
| C4' | C3' | C2' | H3' | 123.6° | 118.8° |
| C4' | C3' | O3' | P2 | 128.3° | 120.0° |
| C4' | C3' | C2' | C1' | 26.4° | 20.8° |
| C4' | C3' | C2' | O2' | 148.9° | 139.0° |
| C4' | C3' | C2' | H2' | 94.6° | 97.3° |
| H4' | C4' | O4' | C1' | 134.2° | 93.0° |
| H4' | C4' | C3' | O3' | 27.2° | 1.2° |
| H4' | C4' | C3' | C2' | 145.7° | 117.4° |
| H4' | C4' | C3' | H3' | 93.2° | 123.7° |
| O4' | C1' | C2' | C3' | 18.4° | 37.0° |
| O4' | C1' | C2' | H1' | 119.5° | 118.5° |
| O4' | C1' | C2' | O2' | 140.1° | 155.2° |
| O4' | C1' | C2' | H2' | 103.4° | 81.2° |
| O3' | C3' | C2' | H3' | 120.7° | 122.6° |
| O3' | C3' | C2' | C1' | 89.2° | 97.8° |
| O3' | C3' | C2' | O2' | 33.3° | 20.4° |
| O3' | C3' | C2' | H2' | 149.8° | 144.0° |
| C3' | O3' | P2 | O5P | 119.3° | 55.0° |
| C3' | O3' | P2 | O4P | 121.0° | 64.9° |
| C3' | O3' | P2 | O6P | 0.5° | 175.0° |
| C2' | C3' | O3' | P2 | 116.9° | 125.2° |
| C3' | C2' | C1' | O2' | 121.7° | 118.2° |
| C3' | C2' | C1' | H2' | 121.8° | 118.2° |
| C3' | C2' | O2' | H2' | 121.8° | 123.6° |
| C3' | C2' | O2' | HO2' | 78.2° | 180.0° |
| C3' | C2' | C1' | H1' | 101.1° | 81.5° |
| H3' | C3' | O3' | P2 | 4.6° | 2.5° |
| H3' | C3' | C2' | C1' | 150.1° | 139.7° |
| H3' | C3' | C2' | O2' | 87.4° | 102.2° |
| H3' | C3' | C2' | H2' | 29.1° | 21.5° |
| O3' | P2 | O5P | O4P | 119.6° | 120.0° |
| O3' | P2 | O5P | O6P | 120.1° | 120.0° |
| O3' | P2 | O4P | O6P | 120.6° | 120.1° |
| O3' | P2 | O4P | HO4P | 129.8° | 60.0° |
| O3' | P2 | O6P | HO6P | 165.3° | 180.0° |
| C1' | C2' | O2' | H2' | 120.9° | 123.7° |
| C1' | C2' | O2' | HO2' | 164.4° | 67.3° |
| O2' | C2' | C1' | H1' | 20.6° | 36.7° |
| H2' | C2' | O2' | HO2' | 43.6° | 56.4° |
| H2' | C2' | C1' | H1' | 137.1° | 160.3° |
| O5P | P2 | O4P | O6P | 120.2° | 120.0° |
| O5P | P2 | O4P | HO4P | 111.1° | 180.0° |
| O5P | P2 | O6P | HO6P | 45.9° | 60.0° |
| O4P | P2 | O6P | HO6P | 74.4° | 59.9° |
| O6P | P2 | O4P | HO4P | 9.2° | 60.0° |
