GKS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | sing | 1.37Å | 1.33Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | |
| C2 | N3 | doub | 1.32Å | 1.37Å | |
| N1 | C6 | sing | 1.35Å | 1.46Å | |
| N3 | C4 | sing | 1.33Å | 1.43Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | sing | 1.41Å | 1.47Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C4 | C5 | doub | 1.37Å | 1.48Å | |
| C4 | C9 | sing | 1.51Å | 1.51Å | |
| C1' | C9 | sing | 1.53Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C5 | N7 | sing | 1.41Å | 1.45Å | |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| O8 | C8 | doub | 1.21Å | 1.17Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.46Å | |
| N7 | C8 | sing | 1.35Å | 1.33Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| O1B | PB | doub | 1.48Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| O5' | PA | sing | 1.61Å | 1.59Å | |
| PB | O3A | sing | 1.61Å | 1.63Å | |
| PB | O2B | sing | 1.61Å | 1.52Å | |
| PB | O3B | sing | 1.61Å | 1.65Å | |
| O3A | PA | sing | 1.61Å | 1.64Å | |
| O3B | PG | sing | 1.61Å | 1.57Å | |
| PA | O2A | doub | 1.48Å | 1.53Å | |
| PA | O1A | sing | 1.61Å | 1.52Å | |
| PG | O1G | doub | 1.48Å | 1.51Å | |
| PG | O3G | sing | 1.61Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.52Å | |
| O2G | H1 | sing | 0.97Å | 0.95Å | |
| O3G | H2 | sing | 0.97Å | 0.95Å | |
| O2B | H3 | sing | 0.97Å | 0.95Å | |
| O1A | H4 | sing | 0.97Å | 0.95Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| N7 | H18 | sing | 0.97Å | 1.00Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C2 | N1 | 116.9° | 119.3° |
| N2 | C2 | N3 | 116.7° | 119.4° |
| C2 | N2 | H15 | 120.0° | 120.0° |
| C2 | N2 | H16 | 120.0° | 119.9° |
| N1 | C2 | N3 | 126.4° | 121.2° |
| C2 | N1 | C6 | 118.7° | 119.8° |
| C2 | N1 | H20 | 120.6° | 120.1° |
| C2 | N3 | C4 | 119.5° | 121.5° |
| N1 | C6 | O6 | 120.3° | 120.7° |
| N1 | C6 | C5 | 117.7° | 118.6° |
| C6 | N1 | H20 | 120.7° | 120.1° |
| N3 | C4 | C5 | 118.1° | 120.0° |
| N3 | C4 | C9 | 121.7° | 120.0° |
| O6 | C6 | C5 | 121.9° | 120.7° |
| C6 | C5 | C4 | 119.6° | 118.8° |
| C6 | C5 | N7 | 117.9° | 120.6° |
| C1' | C2' | C3' | 101.1° | 102.0° |
| C2' | C1' | C9 | 112.5° | 110.6° |
| C2' | C1' | O4' | 107.7° | 103.5° |
| C1' | C2' | H10 | 111.5° | 110.9° |
| C1' | C2' | H11 | 111.5° | 110.9° |
| C2' | C1' | H12 | 109.6° | 110.6° |
| C2' | C3' | O3' | 108.7° | 110.6° |
| C2' | C3' | C4' | 102.3° | 104.2° |
| C2' | C3' | H8 | 110.9° | 110.5° |
| C3' | C2' | H10 | 111.5° | 110.9° |
| C3' | C2' | H11 | 111.5° | 111.0° |
| C5 | C4 | C9 | 120.2° | 120.0° |
| C4 | C5 | N7 | 122.5° | 120.6° |
| C4 | C9 | C1' | 116.5° | 109.5° |
| C4 | C9 | H13 | 107.7° | 109.5° |
| C4 | C9 | H14 | 107.7° | 109.4° |
| C9 | C1' | O4' | 107.2° | 110.7° |
| C9 | C1' | H12 | 109.2° | 110.5° |
| C1' | C9 | H13 | 107.7° | 109.5° |
| C1' | C9 | H14 | 107.7° | 109.5° |
| C1' | O4' | C4' | 109.9° | 107.0° |
| O4' | C1' | H12 | 110.7° | 110.7° |
| C5 | N7 | C8 | 121.3° | 120.0° |
| C5 | N7 | H18 | 119.3° | 120.0° |
| O3' | C3' | C4' | 111.2° | 110.5° |
| O3' | C3' | H8 | 112.3° | 110.4° |
| C3' | O3' | H9 | 109.5° | 114.0° |
| O8 | C8 | N7 | 122.4° | 120.0° |
| O8 | C8 | H19 | 118.8° | 120.1° |
| C3' | C4' | O4' | 104.4° | 107.4° |
| C3' | C4' | C5' | 114.3° | 109.9° |
| C3' | C4' | H7 | 109.5° | 109.9° |
| C4' | C3' | H8 | 111.0° | 110.5° |
| O4' | C4' | C5' | 108.7° | 109.9° |
| O4' | C4' | H7 | 110.6° | 109.9° |
| C8 | N7 | H18 | 119.3° | 120.0° |
| N7 | C8 | H19 | 118.8° | 120.0° |
| C4' | C5' | O5' | 108.0° | 109.5° |
| C4' | C5' | H5 | 109.8° | 109.5° |
| C4' | C5' | H6 | 109.8° | 109.4° |
| C5' | C4' | H7 | 109.3° | 109.9° |
| O1B | PB | O3A | 105.2° | 109.5° |
| O1B | PB | O2B | 111.4° | 109.5° |
| O1B | PB | O3B | 106.3° | 109.5° |
| C5' | O5' | PA | 118.6° | 123.1° |
| O5' | C5' | H5 | 109.8° | 109.5° |
| O5' | C5' | H6 | 109.8° | 109.4° |
| O5' | PA | O3A | 107.9° | 109.5° |
| O5' | PA | O2A | 106.8° | 109.5° |
| O5' | PA | O1A | 110.9° | 109.4° |
| O3A | PB | O2B | 116.7° | 109.5° |
| O3A | PB | O3B | 104.4° | 109.5° |
| PB | O3A | PA | 134.0° | 134.0° |
| O2B | PB | O3B | 112.0° | 109.5° |
| PB | O2B | H3 | 109.5° | 114.0° |
| PB | O3B | PG | 128.4° | 134.0° |
| O3A | PA | O2A | 107.4° | 109.5° |
| O3A | PA | O1A | 109.9° | 109.5° |
| O3B | PG | O1G | 107.4° | 109.4° |
| O3B | PG | O3G | 106.7° | 109.5° |
| O3B | PG | O2G | 110.9° | 109.5° |
| O2A | PA | O1A | 113.8° | 109.5° |
| PA | O1A | H4 | 109.5° | 114.0° |
| O1G | PG | O3G | 113.8° | 109.5° |
| O1G | PG | O2G | 110.7° | 109.5° |
| O3G | PG | O2G | 107.3° | 109.5° |
| PG | O3G | H2 | 109.5° | 114.0° |
| PG | O2G | H1 | 109.5° | 114.0° |
| H5 | C5' | H6 | 109.5° | 109.5° |
| H10 | C2' | H11 | 109.5° | 110.9° |
| H13 | C9 | H14 | 109.4° | 109.5° |
| H15 | N2 | H16 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C2 | N1 | N3 | 178.2° | 179.9° |
| N2 | C2 | N1 | C6 | 179.2° | 179.9° |
| N2 | C2 | N3 | C4 | 179.0° | 180.0° |
| C2 | N2 | H15 | H16 | 180.0° | 179.9° |
| N2 | C2 | N1 | H20 | 0.8° | 0.1° |
| C2 | N1 | C6 | H20 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.7° | 0.1° |
| C2 | N1 | C6 | O6 | 179.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.1° |
| N1 | C2 | N2 | H15 | 178.4° | 0.1° |
| N1 | C2 | N2 | H16 | 1.6° | 180.0° |
| N3 | C2 | N1 | C6 | 0.9° | 0.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | C9 | 179.9° | 179.7° |
| N3 | C2 | N2 | H15 | 0.0° | 180.0° |
| N3 | C2 | N2 | H16 | 180.0° | 0.1° |
| N3 | C2 | N1 | H20 | 179.1° | 180.0° |
| N1 | C6 | O6 | C5 | 179.3° | 179.9° |
| N1 | C6 | C5 | C4 | 0.5° | 0.1° |
| N1 | C6 | C5 | N7 | 179.0° | 179.8° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | C5 | C9 | 180.0° | 179.7° |
| N3 | C4 | C9 | C1' | 26.9° | 84.7° |
| N3 | C4 | C5 | N7 | 178.8° | 179.7° |
| N3 | C4 | C9 | H13 | 147.9° | 155.3° |
| N3 | C4 | C9 | H14 | 94.2° | 35.3° |
| O6 | C6 | C5 | C4 | 179.8° | 180.0° |
| O6 | C6 | C5 | N7 | 0.3° | 0.3° |
| O6 | C6 | N1 | H20 | 1.0° | 0.0° |
| C6 | C5 | C4 | N7 | 179.5° | 179.7° |
| C6 | C5 | C4 | C9 | 179.3° | 179.7° |
| C6 | C5 | N7 | C8 | 53.8° | 59.8° |
| C6 | C5 | N7 | H18 | 126.2° | 120.2° |
| C5 | C6 | N1 | H20 | 179.7° | 180.0° |
| C1' | C2' | C3' | H10 | 118.6° | 118.2° |
| C1' | C2' | C3' | H11 | 118.7° | 118.2° |
| C2' | C1' | C9 | C4 | 80.3° | 175.0° |
| C2' | C1' | C9 | O4' | 118.1° | 114.1° |
| C2' | C1' | C9 | H12 | 121.9° | 122.9° |
| C2' | C1' | O4' | H12 | 119.8° | 118.6° |
| C1' | C2' | C3' | O3' | 155.1° | 97.8° |
| C1' | C2' | C3' | C4' | 37.4° | 20.9° |
| C2' | C1' | O4' | C4' | 10.6° | 39.9° |
| C1' | C2' | C3' | H8 | 81.0° | 139.6° |
| C1' | C2' | H10 | H11 | 123.9° | 123.7° |
| C2' | C1' | C9 | H13 | 40.7° | 65.0° |
| C2' | C1' | C9 | H14 | 158.7° | 55.0° |
| C3' | C2' | C1' | C9 | 87.6° | 155.5° |
| C3' | C2' | C1' | O4' | 30.2° | 37.0° |
| C2' | C3' | O3' | C4' | 111.9° | 114.8° |
| C2' | C3' | O3' | H8 | 123.0° | 122.6° |
| C2' | C3' | C4' | H8 | 118.3° | 118.7° |
| C2' | C3' | C4' | O4' | 32.1° | 1.9° |
| C2' | C3' | C4' | C5' | 150.7° | 121.4° |
| C2' | C3' | C4' | H7 | 86.4° | 117.5° |
| C2' | C3' | O3' | H9 | 143.1° | 65.2° |
| C3' | C2' | H10 | H11 | 123.9° | 123.7° |
| C3' | C2' | C1' | H12 | 150.7° | 81.6° |
| C5 | C4 | C9 | C1' | 153.1° | 95.0° |
| C4 | C5 | N7 | C8 | 125.7° | 120.4° |
| C5 | C4 | C9 | H13 | 32.1° | 25.0° |
| C5 | C4 | C9 | H14 | 85.8° | 145.0° |
| C4 | C5 | N7 | H18 | 54.3° | 59.5° |
| C4 | C9 | C1' | H13 | 121.0° | 120.0° |
| C4 | C9 | C1' | H14 | 121.0° | 119.9° |
| C4 | C9 | C1' | O4' | 161.6° | 70.9° |
| C9 | C4 | C5 | N7 | 1.2° | 0.1° |
| C4 | C9 | C1' | H12 | 41.6° | 52.1° |
| C4 | C9 | H13 | H14 | 116.8° | 119.9° |
| C9 | C1' | O4' | H12 | 118.9° | 122.9° |
| C9 | C1' | O4' | C4' | 110.6° | 158.4° |
| C9 | C1' | C2' | H10 | 153.7° | 37.4° |
| C9 | C1' | C2' | H11 | 31.0° | 86.2° |
| C1' | C9 | H13 | H14 | 116.8° | 120.1° |
| C1' | O4' | C4' | C3' | 13.9° | 26.4° |
| C1' | O4' | C4' | C5' | 136.3° | 145.9° |
| C1' | O4' | C4' | H7 | 103.7° | 93.1° |
| O4' | C1' | C2' | H10 | 88.4° | 81.2° |
| O4' | C1' | C2' | H11 | 148.9° | 155.2° |
| O4' | C1' | C9 | H13 | 77.4° | 49.1° |
| O4' | C1' | C9 | H14 | 40.5° | 169.1° |
| C5 | N7 | C8 | O8 | 0.1° | 4.7° |
| C5 | N7 | C8 | H18 | 180.0° | 180.0° |
| C5 | N7 | C8 | H19 | 179.8° | 175.3° |
| O3' | C3' | C4' | H8 | 125.8° | 122.5° |
| O3' | C3' | C4' | O4' | 147.9° | 120.7° |
| O3' | C3' | C4' | C5' | 93.5° | 119.8° |
| O3' | C3' | C4' | H7 | 29.5° | 1.3° |
| O3' | C3' | C2' | H10 | 36.4° | 144.0° |
| O3' | C3' | C2' | H11 | 86.3° | 20.3° |
| O8 | C8 | N7 | H19 | 180.0° | 180.0° |
| O8 | C8 | N7 | H18 | 179.8° | 175.3° |
| C3' | C4' | O4' | C5' | 122.4° | 119.5° |
| C3' | C4' | O4' | H7 | 117.7° | 119.5° |
| C3' | C4' | C5' | H7 | 123.1° | 121.1° |
| C3' | C4' | C5' | O5' | 44.0° | 175.3° |
| C3' | C4' | C5' | H5 | 163.8° | 64.7° |
| C3' | C4' | C5' | H6 | 75.8° | 55.4° |
| C4' | C3' | O3' | H9 | 105.0° | 180.0° |
| C4' | C3' | C2' | H10 | 81.3° | 97.3° |
| C4' | C3' | C2' | H11 | 156.0° | 139.1° |
| O4' | C4' | C5' | H7 | 120.8° | 121.0° |
| O4' | C4' | C5' | O5' | 72.2° | 66.7° |
| O4' | C4' | C5' | H5 | 47.6° | 53.3° |
| O4' | C4' | C5' | H6 | 168.1° | 173.3° |
| O4' | C4' | C3' | H8 | 86.2° | 116.7° |
| C4' | O4' | C1' | H12 | 130.5° | 78.6° |
| C4' | C5' | O5' | H5 | 119.8° | 120.1° |
| C4' | C5' | O5' | H6 | 119.8° | 119.9° |
| C4' | C5' | O5' | PA | 135.8° | 179.9° |
| C4' | C5' | H5 | H6 | 120.7° | 120.0° |
| C5' | C4' | C3' | H8 | 32.3° | 2.7° |
| O1B | PB | O3A | O2B | 124.0° | 120.0° |
| O1B | PB | O3A | O3B | 111.7° | 120.0° |
| O1B | PB | O2B | O3B | 118.9° | 120.0° |
| O1B | PB | O3A | PA | 133.8° | 45.0° |
| O1B | PB | O3B | PG | 160.7° | 40.0° |
| O1B | PB | O2B | H3 | 0.0° | 180.0° |
| C5' | O5' | PA | O3A | 81.4° | 175.0° |
| C5' | O5' | PA | O2A | 163.4° | 55.0° |
| C5' | O5' | PA | O1A | 38.9° | 65.0° |
| O5' | C5' | H5 | H6 | 120.7° | 119.9° |
| O5' | C5' | C4' | H7 | 167.1° | 54.2° |
| O5' | PA | O3A | PB | 99.8° | 165.0° |
| O5' | PA | O3A | O2A | 114.8° | 120.0° |
| O5' | PA | O3A | O1A | 121.0° | 120.0° |
| O5' | PA | O2A | O1A | 122.7° | 120.0° |
| O5' | PA | O1A | H4 | 120.4° | 60.0° |
| PA | O5' | C5' | H5 | 104.4° | 60.0° |
| PA | O5' | C5' | H6 | 16.0° | 60.0° |
| O3A | PB | O2B | O3B | 120.3° | 120.0° |
| O3A | PB | O3B | PG | 88.4° | 160.0° |
| PB | O3A | PA | O2A | 145.4° | 45.0° |
| PB | O3A | PA | O1A | 21.2° | 75.0° |
| O3A | PB | O2B | H3 | 120.8° | 60.0° |
| O2B | PB | O3A | PA | 9.8° | 75.0° |
| O2B | PB | O3B | PG | 38.9° | 80.0° |
| O3B | PB | O3A | PA | 114.5° | 165.0° |
| PB | O3B | PG | O1G | 109.9° | 40.0° |
| PB | O3B | PG | O3G | 127.8° | 80.0° |
| PB | O3B | PG | O2G | 11.3° | 160.0° |
| O3B | PB | O2B | H3 | 118.9° | 60.0° |
| O3A | PA | O2A | O1A | 121.8° | 120.0° |
| O3A | PA | O1A | H4 | 120.4° | 60.0° |
| O3B | PG | O1G | O3G | 117.8° | 120.0° |
| O3B | PG | O1G | O2G | 121.3° | 120.0° |
| O3B | PG | O3G | O2G | 118.9° | 120.0° |
| O3B | PG | O2G | H1 | 119.2° | 180.0° |
| O3B | PG | O3G | H2 | 118.3° | 60.0° |
| O2A | PA | O1A | H4 | 0.0° | 180.0° |
| O1G | PG | O3G | O2G | 122.8° | 120.0° |
| O1G | PG | O2G | H1 | 0.0° | 60.0° |
| O1G | PG | O3G | H2 | 0.0° | 179.9° |
| O3G | PG | O2G | H1 | 124.7° | 60.0° |
| O2G | PG | O3G | H2 | 122.8° | 60.0° |
| H5 | C5' | C4' | H7 | 73.2° | 174.3° |
| H6 | C5' | C4' | H7 | 47.3° | 65.7° |
| H7 | C4' | C3' | H8 | 155.3° | 123.8° |
| H8 | C3' | O3' | H9 | 20.0° | 57.4° |
| H8 | C3' | C2' | H10 | 160.3° | 21.4° |
| H8 | C3' | C2' | H11 | 37.6° | 102.3° |
| H10 | C2' | C1' | H12 | 32.1° | 160.2° |
| H11 | C2' | C1' | H12 | 90.6° | 36.6° |
| H12 | C1' | C9 | H13 | 162.7° | 172.1° |
| H12 | C1' | C9 | H14 | 79.4° | 67.8° |
| H18 | N7 | C8 | H19 | 0.2° | 4.7° |
