FDY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.32Å | |
| C2 | N1 | sing | 1.34Å | 1.35Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| C2' | C1' | sing | 1.54Å | 1.31Å | |
| C2' | C3' | sing | 1.54Å | 1.49Å | |
| C1' | N1 | sing | 1.47Å | 1.44Å | |
| C1' | O4' | sing | 1.44Å | 1.59Å | |
| N1 | C6 | sing | 1.37Å | 1.35Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C4 | O4 | doub | 1.22Å | 1.20Å | |
| C4 | C5 | sing | 1.42Å | 1.42Å | |
| C3' | C4' | sing | 1.55Å | 1.56Å | |
| O4' | C4' | sing | 1.44Å | 1.24Å | |
| C6 | C5 | doub | 1.35Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C5 | C7 | sing | 1.51Å | 1.55Å | |
| O2B | PB | doub | 1.48Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.49Å | |
| O5' | PA | sing | 1.61Å | 1.62Å | |
| PB | O3A | sing | 1.61Å | 1.54Å | |
| PB | O1B | sing | 1.61Å | 1.51Å | |
| PB | C3B | sing | 1.82Å | 1.89Å | |
| F2B | C3B | sing | 1.40Å | 1.33Å | |
| O3A | PA | sing | 1.61Å | 1.60Å | |
| C3B | PG | sing | 1.82Å | 1.79Å | |
| PA | O2A | doub | 1.48Å | 1.49Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| O3G | PG | doub | 1.48Å | 1.52Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.47Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| O1A | H14 | sing | 0.97Å | 0.95Å | |
| O1B | H15 | sing | 0.97Å | 0.95Å | |
| C3B | H16 | sing | 1.09Å | 1.10Å | |
| O2G | H17 | sing | 0.97Å | 0.95Å | |
| O1G | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 119.5° | 119.5° |
| O2 | C2 | N1 | 119.0° | 119.6° |
| N3 | C2 | N1 | 121.6° | 120.9° |
| C2 | N3 | C4 | 121.1° | 120.3° |
| C2 | N3 | H5 | 119.4° | 119.8° |
| C2 | N1 | C1' | 119.5° | 119.7° |
| C2 | N1 | C6 | 120.6° | 120.6° |
| N3 | C4 | O4 | 120.7° | 120.3° |
| N3 | C4 | C5 | 119.8° | 119.4° |
| C4 | N3 | H5 | 119.4° | 119.9° |
| C1' | C2' | C3' | 107.2° | 104.1° |
| C2' | C1' | N1 | 109.0° | 110.4° |
| C2' | C1' | O4' | 105.6° | 104.8° |
| C2' | C1' | H6 | 112.2° | 110.5° |
| C1' | C2' | H7 | 110.0° | 110.4° |
| C1' | C2' | H8 | 110.0° | 110.5° |
| C2' | C3' | O3' | 117.7° | 110.5° |
| C2' | C3' | C4' | 100.6° | 104.1° |
| C3' | C2' | H7 | 110.0° | 110.5° |
| C3' | C2' | H8 | 110.0° | 110.5° |
| C2' | C3' | H9 | 108.7° | 110.5° |
| N1 | C1' | O4' | 111.7° | 110.3° |
| C1' | N1 | C6 | 119.8° | 119.7° |
| N1 | C1' | H6 | 110.2° | 110.3° |
| C1' | O4' | C4' | 108.4° | 105.3° |
| O4' | C1' | H6 | 108.1° | 110.4° |
| N1 | C6 | C5 | 120.6° | 119.7° |
| N1 | C6 | H1 | 119.7° | 120.2° |
| O3' | C3' | C4' | 111.5° | 110.5° |
| O3' | C3' | H9 | 109.7° | 110.6° |
| C3' | O3' | H10 | 109.5° | 114.0° |
| O4 | C4 | C5 | 119.5° | 120.3° |
| C4 | C5 | C6 | 116.2° | 119.1° |
| C4 | C5 | C7 | 122.6° | 120.5° |
| C3' | C4' | O4' | 104.4° | 104.8° |
| C3' | C4' | C5' | 109.1° | 110.4° |
| C4' | C3' | H9 | 107.9° | 110.5° |
| C3' | C4' | H11 | 109.1° | 110.4° |
| O4' | C4' | C5' | 110.4° | 110.4° |
| O4' | C4' | H11 | 114.3° | 110.4° |
| C6 | C5 | C7 | 121.2° | 120.4° |
| C5 | C6 | H1 | 119.7° | 120.1° |
| C4' | C5' | O5' | 104.1° | 109.5° |
| C5' | C4' | H11 | 109.2° | 110.4° |
| C4' | C5' | H12 | 110.8° | 109.5° |
| C4' | C5' | H13 | 110.8° | 109.5° |
| C5 | C7 | H2 | 109.5° | 109.5° |
| C5 | C7 | H3 | 109.5° | 109.5° |
| C5 | C7 | H4 | 109.5° | 109.4° |
| O2B | PB | O3A | 108.2° | 109.5° |
| O2B | PB | O1B | 110.4° | 109.5° |
| O2B | PB | C3B | 108.8° | 109.5° |
| C5' | O5' | PA | 118.6° | 123.0° |
| O5' | C5' | H12 | 110.8° | 109.5° |
| O5' | C5' | H13 | 110.8° | 109.5° |
| O5' | PA | O3A | 108.8° | 109.5° |
| O5' | PA | O2A | 107.7° | 109.5° |
| O5' | PA | O1A | 111.2° | 109.5° |
| O3A | PB | O1B | 112.8° | 109.4° |
| O3A | PB | C3B | 105.6° | 109.5° |
| PB | O3A | PA | 128.5° | 134.0° |
| O1B | PB | C3B | 110.8° | 109.5° |
| PB | O1B | H15 | 109.5° | 114.1° |
| PB | C3B | F2B | 108.3° | 109.5° |
| PB | C3B | PG | 109.9° | 109.5° |
| PB | C3B | H16 | 106.0° | 109.5° |
| F2B | C3B | PG | 112.4° | 109.4° |
| F2B | C3B | H16 | 113.1° | 109.5° |
| O3A | PA | O2A | 105.5° | 109.5° |
| O3A | PA | O1A | 112.4° | 109.5° |
| C3B | PG | O3G | 109.0° | 109.5° |
| C3B | PG | O1G | 107.9° | 109.5° |
| C3B | PG | O2G | 110.4° | 109.5° |
| PG | C3B | H16 | 106.9° | 109.4° |
| O2A | PA | O1A | 110.9° | 109.5° |
| PA | O1A | H14 | 109.5° | 114.0° |
| O3G | PG | O1G | 108.3° | 109.5° |
| O3G | PG | O2G | 110.9° | 109.4° |
| O1G | PG | O2G | 110.2° | 109.5° |
| PG | O1G | H18 | 109.5° | 114.0° |
| PG | O2G | H17 | 109.5° | 114.0° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H7 | C2' | H8 | 109.5° | 110.5° |
| H12 | C5' | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.6° | 179.7° |
| O2 | C2 | N3 | C4 | 178.5° | 179.7° |
| O2 | C2 | N1 | C1' | 2.3° | 0.4° |
| O2 | C2 | N1 | C6 | 179.0° | 179.7° |
| O2 | C2 | N3 | H5 | 1.5° | 0.2° |
| C2 | N3 | C4 | H5 | 180.0° | 179.9° |
| N3 | C2 | N1 | C1' | 178.1° | 179.9° |
| N3 | C2 | N1 | C6 | 1.4° | 0.0° |
| C2 | N3 | C4 | O4 | 179.0° | 179.9° |
| C2 | N3 | C4 | C5 | 1.7° | 0.1° |
| N1 | C2 | N3 | C4 | 1.9° | 0.0° |
| C2 | N1 | C1' | C2' | 97.9° | 61.7° |
| C2 | N1 | C1' | C6 | 176.8° | 179.9° |
| C2 | N1 | C1' | O4' | 145.8° | 53.6° |
| C2 | N1 | C6 | C5 | 0.8° | 0.1° |
| C2 | N1 | C6 | H1 | 179.2° | 180.0° |
| N1 | C2 | N3 | H5 | 178.1° | 179.9° |
| C2 | N1 | C1' | H6 | 25.6° | 175.8° |
| N3 | C4 | O4 | C5 | 179.2° | 180.0° |
| N3 | C4 | C5 | C6 | 1.1° | 0.1° |
| N3 | C4 | C5 | C7 | 179.6° | 179.9° |
| C1' | C2' | C3' | H7 | 119.7° | 118.6° |
| C1' | C2' | C3' | H8 | 119.6° | 118.7° |
| C2' | C1' | N1 | O4' | 116.2° | 115.3° |
| C2' | C1' | N1 | H6 | 123.6° | 122.5° |
| C2' | C1' | O4' | H6 | 120.3° | 119.0° |
| C2' | C1' | N1 | C6 | 78.8° | 118.2° |
| C1' | C2' | C3' | O3' | 152.9° | 118.6° |
| C1' | C2' | C3' | C4' | 31.6° | 0.0° |
| C2' | C1' | O4' | C4' | 9.0° | 40.6° |
| C1' | C2' | H7 | H8 | 121.0° | 122.6° |
| C1' | C2' | C3' | H9 | 81.6° | 118.6° |
| C3' | C2' | C1' | N1 | 103.7° | 142.8° |
| C3' | C2' | C1' | O4' | 16.4° | 24.0° |
| C2' | C3' | O3' | C4' | 115.5° | 114.7° |
| C2' | C3' | O3' | H9 | 125.0° | 122.7° |
| C2' | C3' | C4' | H9 | 113.8° | 118.7° |
| C2' | C3' | C4' | O4' | 37.4° | 24.0° |
| C2' | C3' | C4' | C5' | 155.5° | 142.8° |
| C3' | C2' | C1' | H6 | 133.9° | 94.9° |
| C3' | C2' | H7 | H8 | 121.0° | 122.7° |
| C2' | C3' | O3' | H10 | 138.7° | 61.5° |
| C2' | C3' | C4' | H11 | 85.2° | 94.8° |
| N1 | C1' | O4' | H6 | 121.4° | 122.2° |
| N1 | C1' | O4' | C4' | 127.3° | 159.4° |
| C1' | N1 | C6 | C5 | 177.5° | 179.9° |
| C1' | N1 | C6 | H1 | 2.4° | 0.1° |
| N1 | C1' | C2' | H7 | 136.6° | 98.6° |
| N1 | C1' | C2' | H8 | 15.9° | 24.1° |
| O4' | C1' | N1 | C6 | 37.4° | 126.5° |
| C1' | O4' | C4' | C3' | 28.3° | 40.5° |
| C1' | O4' | C4' | C5' | 145.5° | 159.4° |
| O4' | C1' | C2' | H7 | 103.3° | 142.7° |
| O4' | C1' | C2' | H8 | 136.0° | 94.7° |
| C1' | O4' | C4' | H11 | 90.8° | 78.3° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | H1 | 180.0° | 180.0° |
| N1 | C6 | C5 | C7 | 180.0° | 180.0° |
| C6 | N1 | C1' | H6 | 157.6° | 4.3° |
| O3' | C3' | C4' | H9 | 120.6° | 122.7° |
| O3' | C3' | C4' | O4' | 163.0° | 142.6° |
| O3' | C3' | C4' | C5' | 78.9° | 98.5° |
| O3' | C3' | C2' | H7 | 33.3° | 0.0° |
| O3' | C3' | C2' | H8 | 87.4° | 122.7° |
| O3' | C3' | C4' | H11 | 40.4° | 23.8° |
| O4 | C4 | C5 | C6 | 179.7° | 180.0° |
| O4 | C4 | C5 | C7 | 0.4° | 0.1° |
| O4 | C4 | N3 | H5 | 1.0° | 0.1° |
| C4 | C5 | C6 | C7 | 179.3° | 180.0° |
| C4 | C5 | C6 | H1 | 179.3° | 180.0° |
| C4 | C5 | C7 | H2 | 180.0° | 0.0° |
| C4 | C5 | C7 | H3 | 60.0° | 120.0° |
| C4 | C5 | C7 | H4 | 60.0° | 120.0° |
| C5 | C4 | N3 | H5 | 178.3° | 180.0° |
| C3' | C4' | O4' | C5' | 117.2° | 118.8° |
| C3' | C4' | O4' | H11 | 119.2° | 118.8° |
| C3' | C4' | C5' | H11 | 119.2° | 122.3° |
| C3' | C4' | C5' | O5' | 56.9° | 175.0° |
| C4' | C3' | C2' | H7 | 88.1° | 118.6° |
| C4' | C3' | C2' | H8 | 151.3° | 118.7° |
| C4' | C3' | O3' | H10 | 105.9° | 176.1° |
| C3' | C4' | C5' | H12 | 176.1° | 55.0° |
| C3' | C4' | C5' | H13 | 62.3° | 65.0° |
| O4' | C4' | C5' | H11 | 126.5° | 122.3° |
| O4' | C4' | C5' | O5' | 57.3° | 69.6° |
| C4' | O4' | C1' | H6 | 111.3° | 78.4° |
| O4' | C4' | C3' | H9 | 76.4° | 94.7° |
| O4' | C4' | C5' | H12 | 61.8° | 170.4° |
| O4' | C4' | C5' | H13 | 176.5° | 50.3° |
| C6 | C5 | C7 | H2 | 0.7° | 180.0° |
| C6 | C5 | C7 | H3 | 119.3° | 60.0° |
| C6 | C5 | C7 | H4 | 120.7° | 60.0° |
| C4' | C5' | O5' | H12 | 119.2° | 120.0° |
| C4' | C5' | O5' | H13 | 119.2° | 120.0° |
| C4' | C5' | O5' | PA | 140.1° | 180.0° |
| C5' | C4' | C3' | H9 | 41.7° | 24.2° |
| C4' | C5' | H12 | H13 | 122.5° | 120.0° |
| C7 | C5 | C6 | H1 | 0.0° | 0.0° |
| C5 | C7 | H2 | H3 | 120.0° | 120.0° |
| C5 | C7 | H2 | H4 | 120.0° | 120.0° |
| C5 | C7 | H3 | H4 | 120.0° | 120.0° |
| O2B | PB | O3A | O1B | 122.5° | 120.0° |
| O2B | PB | O3A | C3B | 116.3° | 120.1° |
| O2B | PB | O1B | C3B | 120.6° | 120.1° |
| O2B | PB | C3B | F2B | 19.0° | 60.0° |
| O2B | PB | O3A | PA | 128.4° | 60.0° |
| O2B | PB | C3B | PG | 142.2° | 60.0° |
| O2B | PB | O1B | H15 | 0.0° | 180.0° |
| O2B | PB | C3B | H16 | 102.6° | 180.0° |
| C5' | O5' | PA | O3A | 75.4° | 175.0° |
| C5' | O5' | PA | O2A | 170.7° | 55.0° |
| C5' | O5' | PA | O1A | 48.9° | 65.0° |
| O5' | C5' | C4' | H11 | 176.1° | 52.7° |
| O5' | C5' | H12 | H13 | 122.5° | 120.0° |
| O5' | PA | O3A | PB | 93.6° | 165.0° |
| O5' | PA | O3A | O2A | 115.3° | 120.0° |
| O5' | PA | O3A | O1A | 123.7° | 120.0° |
| O5' | PA | O2A | O1A | 122.0° | 120.0° |
| PA | O5' | C5' | H12 | 100.8° | 60.0° |
| PA | O5' | C5' | H13 | 20.9° | 60.0° |
| O5' | PA | O1A | H14 | 119.9° | 60.0° |
| O3A | PB | O1B | C3B | 118.2° | 120.0° |
| O3A | PB | C3B | F2B | 135.0° | 60.1° |
| O3A | PB | C3B | PG | 101.9° | 180.0° |
| PB | O3A | PA | O2A | 151.1° | 45.0° |
| PB | O3A | PA | O1A | 30.1° | 75.0° |
| O3A | PB | O1B | H15 | 121.2° | 60.1° |
| O3A | PB | C3B | H16 | 13.3° | 60.0° |
| O1B | PB | C3B | F2B | 102.6° | 180.0° |
| O1B | PB | O3A | PA | 5.9° | 60.0° |
| O1B | PB | C3B | PG | 20.6° | 60.0° |
| O1B | PB | C3B | H16 | 135.8° | 59.9° |
| PB | C3B | F2B | PG | 121.6° | 120.0° |
| PB | C3B | F2B | H16 | 117.2° | 120.1° |
| C3B | PB | O3A | PA | 115.2° | 180.0° |
| PB | C3B | PG | H16 | 114.6° | 120.0° |
| PB | C3B | PG | O3G | 74.5° | 60.0° |
| PB | C3B | PG | O1G | 42.9° | 180.0° |
| PB | C3B | PG | O2G | 163.5° | 60.0° |
| C3B | PB | O1B | H15 | 120.6° | 59.9° |
| F2B | C3B | PG | H16 | 124.6° | 120.0° |
| F2B | C3B | PG | O3G | 46.2° | 180.0° |
| F2B | C3B | PG | O1G | 163.6° | 60.0° |
| F2B | C3B | PG | O2G | 75.8° | 60.0° |
| O3A | PA | O2A | O1A | 122.0° | 120.0° |
| O3A | PA | O1A | H14 | 117.8° | 60.0° |
| C3B | PG | O3G | O1G | 117.2° | 120.0° |
| C3B | PG | O3G | O2G | 121.7° | 120.0° |
| C3B | PG | O1G | O2G | 120.6° | 120.0° |
| C3B | PG | O2G | H17 | 120.9° | 60.1° |
| C3B | PG | O1G | H18 | 117.9° | 180.0° |
| O2A | PA | O1A | H14 | 0.0° | 180.0° |
| O3G | PG | O1G | O2G | 121.5° | 120.0° |
| O3G | PG | C3B | H16 | 170.8° | 60.0° |
| O3G | PG | O2G | H17 | 0.0° | 179.9° |
| O3G | PG | O1G | H18 | 0.0° | 59.9° |
| O1G | PG | C3B | H16 | 71.7° | 60.0° |
| O1G | PG | O2G | H17 | 119.9° | 59.9° |
| O2G | PG | C3B | H16 | 48.8° | 180.0° |
| O2G | PG | O1G | H18 | 121.5° | 60.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H6 | C1' | C2' | H7 | 14.3° | 23.8° |
| H6 | C1' | C2' | H8 | 106.4° | 146.4° |
| H7 | C2' | C3' | H9 | 158.8° | 122.8° |
| H8 | C2' | C3' | H9 | 38.1° | 0.1° |
| H9 | C3' | O3' | H10 | 13.6° | 61.2° |
| H9 | C3' | C4' | H11 | 160.9° | 146.5° |
| H11 | C4' | C5' | H12 | 64.7° | 67.3° |
| H11 | C4' | C5' | H13 | 57.0° | 172.7° |
