UFP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| N1 | C6 | sing | 1.37Å | 1.54Å | |
| N1 | C1' | sing | 1.47Å | 1.45Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.42Å | 1.64Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C5 | C6 | doub | 1.35Å | 1.61Å | |
| C5 | F5 | sing | 1.35Å | 1.32Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| C1' | O4' | sing | 1.44Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.47Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.47Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| P | O1P | doub | 1.48Å | 1.46Å | |
| P | O2P | sing | 1.61Å | 1.46Å | |
| P | O3P | sing | 1.61Å | 1.57Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.0° | 120.6° |
| C2 | N1 | C1' | 124.3° | 119.7° |
| N1 | C2 | N3 | 120.5° | 121.0° |
| N1 | C2 | O2 | 124.1° | 119.5° |
| C6 | N1 | C1' | 114.7° | 119.7° |
| N1 | C6 | C5 | 114.5° | 119.7° |
| N1 | C6 | H6 | 120.7° | 120.2° |
| N1 | C1' | C2' | 110.7° | 110.4° |
| N1 | C1' | O4' | 107.1° | 110.4° |
| N1 | C1' | H1' | 109.7° | 110.3° |
| N3 | C2 | O2 | 115.4° | 119.5° |
| C2 | N3 | C4 | 125.7° | 120.3° |
| C2 | N3 | HN3 | 117.3° | 119.9° |
| C4 | N3 | HN3 | 117.0° | 119.8° |
| N3 | C4 | C5 | 117.8° | 119.4° |
| N3 | C4 | O4 | 122.8° | 120.3° |
| C5 | C4 | O4 | 118.7° | 120.3° |
| C4 | C5 | C6 | 105.2° | 119.1° |
| C4 | C5 | F5 | 115.8° | 120.4° |
| C6 | C5 | F5 | 116.1° | 120.5° |
| C5 | C6 | H6 | 124.8° | 120.1° |
| C2' | C1' | O4' | 108.0° | 104.8° |
| C2' | C1' | H1' | 108.9° | 110.4° |
| C1' | C2' | C3' | 98.1° | 104.1° |
| C1' | C2' | H2'1 | 116.6° | 110.5° |
| C1' | C2' | H2'2 | 116.6° | 110.5° |
| O4' | C1' | H1' | 112.4° | 110.4° |
| C1' | O4' | C4' | 106.4° | 105.3° |
| C3' | C2' | H2'1 | 116.7° | 110.5° |
| C3' | C2' | H2'2 | 116.6° | 110.5° |
| C2' | C3' | C4' | 105.1° | 104.2° |
| C2' | C3' | O3' | 109.2° | 110.5° |
| C2' | C3' | H3' | 113.6° | 110.5° |
| H2'1 | C2' | H2'2 | 93.8° | 110.6° |
| C4' | C3' | O3' | 112.6° | 110.6° |
| C4' | C3' | H3' | 110.3° | 110.5° |
| C3' | C4' | O4' | 105.6° | 104.7° |
| C3' | C4' | C5' | 115.7° | 110.7° |
| C3' | C4' | H4' | 107.3° | 110.2° |
| O3' | C3' | H3' | 106.3° | 110.5° |
| C3' | O3' | HO3' | 109.2° | 106.8° |
| O4' | C4' | C5' | 106.9° | 110.3° |
| O4' | C4' | H4' | 115.9° | 110.3° |
| C5' | C4' | H4' | 105.9° | 110.3° |
| C4' | C5' | O5' | 107.2° | 109.6° |
| C4' | C5' | H5'1 | 113.1° | 109.5° |
| C4' | C5' | H5'2 | 113.1° | 109.5° |
| O5' | C5' | H5'1 | 113.1° | 109.4° |
| O5' | C5' | H5'2 | 113.1° | 109.5° |
| C5' | O5' | P | 119.0° | 106.8° |
| H5'1 | C5' | H5'2 | 97.4° | 109.4° |
| O5' | P | O1P | 109.8° | 109.5° |
| O5' | P | O2P | 111.8° | 109.5° |
| O5' | P | O3P | 94.6° | 109.4° |
| O1P | P | O2P | 113.3° | 109.5° |
| O1P | P | O3P | 116.4° | 109.5° |
| O2P | P | O3P | 109.4° | 109.5° |
| P | O2P | HOP2 | 111.8° | 106.8° |
| P | O3P | HOP3 | 94.6° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 178.9° | 179.7° |
| N1 | C2 | N3 | O2 | 180.0° | 179.5° |
| N1 | C2 | N3 | C4 | 2.5° | 0.5° |
| N1 | C2 | N3 | HN3 | 177.5° | 179.7° |
| C2 | N1 | C6 | C5 | 30.5° | 0.3° |
| C2 | N1 | C6 | H6 | 149.4° | 179.8° |
| C2 | N1 | C1' | C2' | 76.5° | 60.3° |
| C2 | N1 | C1' | O4' | 166.0° | 55.2° |
| C2 | N1 | C1' | H1' | 43.8° | 177.5° |
| C6 | N1 | C2 | N3 | 5.1° | 0.5° |
| C6 | N1 | C2 | O2 | 174.9° | 180.0° |
| N1 | C6 | C5 | C4 | 42.6° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | F5 | 172.0° | 180.0° |
| C6 | N1 | C1' | C2' | 104.7° | 120.0° |
| C6 | N1 | C1' | O4' | 12.8° | 124.5° |
| C6 | N1 | C1' | H1' | 135.1° | 2.2° |
| C1' | N1 | C2 | N3 | 173.7° | 179.8° |
| C1' | N1 | C2 | O2 | 6.3° | 0.2° |
| C1' | N1 | C6 | C5 | 148.3° | 180.0° |
| C1' | N1 | C6 | H6 | 31.7° | 0.1° |
| N1 | C1' | C2' | O4' | 116.9° | 118.9° |
| N1 | C1' | C2' | H1' | 120.7° | 122.2° |
| N1 | C1' | O4' | H1' | 120.6° | 122.3° |
| N1 | C1' | C2' | C3' | 155.0° | 142.9° |
| N1 | C1' | C2' | H2'1 | 79.7° | 24.3° |
| N1 | C1' | C2' | H2'2 | 29.7° | 98.4° |
| N1 | C1' | O4' | C4' | 142.2° | 159.3° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
| C2 | N3 | C4 | C5 | 16.2° | 0.2° |
| C2 | N3 | C4 | O4 | 174.1° | 179.7° |
| O2 | C2 | N3 | C4 | 177.6° | 180.0° |
| O2 | C2 | N3 | HN3 | 2.4° | 0.2° |
| N3 | C4 | C5 | O4 | 170.1° | 180.0° |
| N3 | C4 | C5 | C6 | 37.0° | 0.0° |
| N3 | C4 | C5 | F5 | 166.7° | 180.0° |
| HN3 | N3 | C4 | C5 | 163.8° | 179.9° |
| HN3 | N3 | C4 | O4 | 5.9° | 0.1° |
| C4 | C5 | C6 | F5 | 129.5° | 180.0° |
| C4 | C5 | C6 | H6 | 137.4° | 180.0° |
| O4 | C4 | C5 | C6 | 152.8° | 179.9° |
| O4 | C4 | C5 | F5 | 23.2° | 0.1° |
| F5 | C5 | C6 | H6 | 8.0° | 0.0° |
| C2' | C1' | O4' | H1' | 120.2° | 118.9° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.6° |
| C1' | C2' | C3' | H2'2 | 125.2° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 122.3° | 122.7° |
| C1' | C2' | C3' | C4' | 39.0° | 0.1° |
| C1' | C2' | C3' | O3' | 82.0° | 118.6° |
| C1' | C2' | C3' | H3' | 159.6° | 118.7° |
| C2' | C1' | O4' | C4' | 23.0° | 40.4° |
| O4' | C1' | C2' | C3' | 38.1° | 24.0° |
| O4' | C1' | C2' | H2'1 | 163.4° | 94.6° |
| O4' | C1' | C2' | H2'2 | 87.2° | 142.6° |
| C1' | O4' | C4' | C3' | 3.0° | 40.3° |
| C1' | O4' | C4' | C5' | 120.7° | 159.5° |
| C1' | O4' | C4' | H4' | 121.5° | 78.3° |
| H1' | C1' | C2' | C3' | 84.3° | 94.9° |
| H1' | C1' | C2' | H2'1 | 41.1° | 146.5° |
| H1' | C1' | C2' | H2'2 | 150.5° | 23.8° |
| H1' | C1' | O4' | C4' | 97.2° | 78.4° |
| C3' | C2' | H2'1 | H2'2 | 122.3° | 122.6° |
| C2' | C3' | C4' | O3' | 118.7° | 118.7° |
| C2' | C3' | C4' | H3' | 122.8° | 118.7° |
| C2' | C3' | O3' | H3' | 122.9° | 122.6° |
| C2' | C3' | C4' | O4' | 27.2° | 23.8° |
| C2' | C3' | C4' | C5' | 90.8° | 142.7° |
| C2' | C3' | C4' | H4' | 151.4° | 94.9° |
| C2' | C3' | O3' | HO3' | 180.0° | 63.3° |
| H2'1 | C2' | C3' | C4' | 164.3° | 118.5° |
| H2'1 | C2' | C3' | O3' | 43.3° | 122.7° |
| H2'1 | C2' | C3' | H3' | 75.1° | 0.1° |
| H2'2 | C2' | C3' | C4' | 86.3° | 118.8° |
| H2'2 | C2' | C3' | O3' | 152.7° | 0.0° |
| H2'2 | C2' | C3' | H3' | 34.3° | 122.6° |
| C4' | C3' | O3' | H3' | 120.8° | 122.6° |
| C3' | C4' | O4' | C5' | 123.7° | 119.2° |
| C3' | C4' | O4' | H4' | 118.5° | 118.6° |
| C3' | C4' | C5' | H4' | 118.6° | 122.3° |
| C4' | C3' | O3' | HO3' | 63.7° | 178.1° |
| C3' | C4' | C5' | O5' | 69.8° | 176.9° |
| C3' | C4' | C5' | H5'1 | 55.5° | 63.1° |
| C3' | C4' | C5' | H5'2 | 164.9° | 56.9° |
| O3' | C3' | C4' | O4' | 91.6° | 142.5° |
| O3' | C3' | C4' | C5' | 150.5° | 98.6° |
| O3' | C3' | C4' | H4' | 32.6° | 23.8° |
| H3' | C3' | C4' | O4' | 149.9° | 94.9° |
| H3' | C3' | C4' | C5' | 31.9° | 24.1° |
| H3' | C3' | C4' | H4' | 85.9° | 146.5° |
| H3' | C3' | O3' | HO3' | 57.1° | 59.3° |
| O4' | C4' | C5' | H4' | 124.2° | 122.2° |
| O4' | C4' | C5' | O5' | 173.0° | 61.5° |
| O4' | C4' | C5' | H5'1 | 61.7° | 178.5° |
| O4' | C4' | C5' | H5'2 | 47.7° | 58.6° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.1° |
| C4' | C5' | H5'1 | H5'2 | 119.0° | 119.9° |
| C4' | C5' | O5' | P | 134.0° | 180.0° |
| H4' | C4' | C5' | O5' | 48.8° | 60.7° |
| H4' | C4' | C5' | H5'1 | 174.1° | 59.3° |
| H4' | C4' | C5' | H5'2 | 76.5° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 119.0° | 120.0° |
| C5' | O5' | P | O1P | 56.7° | 60.0° |
| C5' | O5' | P | O2P | 70.0° | 180.0° |
| C5' | O5' | P | O3P | 177.0° | 60.1° |
| H5'1 | C5' | O5' | P | 8.7° | 60.0° |
| H5'2 | C5' | O5' | P | 100.7° | 59.9° |
| O5' | P | O1P | O2P | 125.8° | 120.0° |
| O5' | P | O1P | O3P | 106.0° | 120.0° |
| O5' | P | O2P | O3P | 103.5° | 120.0° |
| O5' | P | O2P | HOP2 | 179.9° | 180.0° |
| O5' | P | O3P | HOP3 | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 131.8° | 120.0° |
| O1P | P | O2P | HOP2 | 55.2° | 60.0° |
| O1P | P | O3P | HOP3 | 65.1° | 179.9° |
| O2P | P | O3P | HOP3 | 65.0° | 59.9° |
| O3P | P | O2P | HOP2 | 76.6° | 60.0° |






