NG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.40Å | |
| O2A | PA | doub | 1.48Å | 1.46Å | |
| C6 | C5 | sing | 1.47Å | 1.23Å | |
| C6 | N1 | sing | 1.34Å | 1.19Å | |
| N7 | C5 | sing | 1.35Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.25Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.49Å | Aromatic |
| O3G | PG | doub | 1.48Å | 1.45Å | |
| N1 | C2 | doub | 1.32Å | 1.31Å | |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| PA | O1A | sing | 1.61Å | 1.46Å | |
| PA | O5' | sing | 1.61Å | 1.64Å | |
| PA | O3A | sing | 1.61Å | 1.65Å | |
| C4 | N9 | sing | 1.36Å | 1.44Å | Aromatic |
| C4 | N3 | sing | 1.37Å | 1.45Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| C2 | N2 | sing | 1.37Å | 1.45Å | |
| C2 | N3 | sing | 1.36Å | 1.46Å | |
| N9 | C1' | sing | 1.47Å | 1.43Å | |
| PG | O1G | sing | 1.61Å | 1.46Å | |
| PG | O3B | sing | 1.61Å | 1.65Å | |
| PG | O2G | sing | 1.61Å | 1.46Å | |
| O3B | PB | sing | 1.61Å | 1.64Å | |
| O3A | PB | sing | 1.61Å | 1.64Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| O4' | C4' | sing | 1.44Å | 1.41Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| PB | O2B | doub | 1.48Å | 1.46Å | |
| PB | O1B | sing | 1.61Å | 1.46Å | |
| C4' | C3' | sing | 1.55Å | 1.49Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| C3' | N3' | sing | 1.47Å | 1.47Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C1' | H2 | sing | 1.09Å | 1.10Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| N3' | H12 | sing | 1.01Å | 1.00Å | |
| N3' | H13 | sing | 1.01Å | 1.00Å | |
| O1A | H15 | sing | 0.97Å | 0.95Å | |
| O1B | H16 | sing | 0.97Å | 0.95Å | |
| O1G | H17 | sing | 0.97Å | 0.95Å | |
| O2G | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 114.8° | 120.7° |
| O6 | C6 | N1 | 115.2° | 120.8° |
| O2A | PA | O1A | 101.9° | 109.5° |
| O2A | PA | O5' | 112.0° | 109.5° |
| O2A | PA | O3A | 111.1° | 109.5° |
| C5 | C6 | N1 | 130.0° | 118.5° |
| C6 | C5 | N7 | 147.5° | 134.5° |
| C6 | C5 | C4 | 113.0° | 118.2° |
| C6 | N1 | C2 | 128.8° | 121.4° |
| C5 | N7 | C8 | 125.9° | 109.2° |
| N7 | C5 | C4 | 99.5° | 107.4° |
| N7 | C8 | N9 | 96.8° | 109.5° |
| N7 | C8 | H1 | 131.6° | 125.2° |
| C5 | C4 | N9 | 98.7° | 106.4° |
| C5 | C4 | N3 | 118.4° | 118.8° |
| O3G | PG | O1G | 104.8° | 109.5° |
| O3G | PG | O3B | 112.9° | 109.5° |
| O3G | PG | O2G | 105.4° | 109.5° |
| N1 | C2 | N2 | 124.5° | 118.7° |
| N1 | C2 | N3 | 113.3° | 122.5° |
| C8 | N9 | C4 | 119.0° | 107.6° |
| C8 | N9 | C1' | 123.3° | 126.2° |
| N9 | C8 | H1 | 131.6° | 125.3° |
| O1A | PA | O5' | 111.5° | 109.4° |
| O1A | PA | O3A | 112.6° | 109.5° |
| PA | O1A | H15 | 109.5° | 114.0° |
| O5' | PA | O3A | 107.8° | 109.5° |
| PA | O5' | C5' | 118.9° | 123.0° |
| PA | O3A | PB | 123.8° | 134.0° |
| N9 | C4 | N3 | 142.9° | 134.7° |
| C4 | N9 | C1' | 117.6° | 126.2° |
| C4 | N3 | C2 | 116.5° | 120.6° |
| C4 | N3 | H11 | 121.8° | 119.7° |
| O5' | C5' | C4' | 107.5° | 109.5° |
| O5' | C5' | H7 | 110.0° | 109.4° |
| O5' | C5' | H8 | 110.0° | 109.5° |
| N2 | C2 | N3 | 122.2° | 118.8° |
| C2 | N2 | H9 | 120.0° | 120.0° |
| C2 | N2 | H10 | 120.0° | 120.0° |
| C2 | N3 | H11 | 121.7° | 119.7° |
| N9 | C1' | O4' | 114.1° | 110.0° |
| N9 | C1' | C2' | 106.0° | 109.9° |
| N9 | C1' | H2 | 110.4° | 109.9° |
| O1G | PG | O3B | 114.3° | 109.5° |
| O1G | PG | O2G | 104.6° | 109.4° |
| PG | O1G | H17 | 109.5° | 114.0° |
| O3B | PG | O2G | 113.9° | 109.4° |
| PG | O3B | PB | 123.0° | 134.0° |
| PG | O2G | H18 | 109.5° | 114.0° |
| O3B | PB | O3A | 109.2° | 109.4° |
| O3B | PB | O2B | 111.2° | 109.5° |
| O3B | PB | O1B | 111.1° | 109.5° |
| O3A | PB | O2B | 111.8° | 109.4° |
| O3A | PB | O1B | 110.5° | 109.5° |
| C1' | O4' | C4' | 109.7° | 107.0° |
| O4' | C1' | C2' | 106.7° | 107.3° |
| O4' | C1' | H2 | 110.4° | 109.9° |
| O4' | C4' | C5' | 109.6° | 110.8° |
| O4' | C4' | C3' | 105.1° | 103.5° |
| O4' | C4' | H6 | 112.3° | 110.6° |
| C1' | C2' | C3' | 102.6° | 104.2° |
| C2' | C1' | H2 | 109.0° | 109.9° |
| C1' | C2' | H3 | 111.1° | 110.5° |
| C1' | C2' | H4 | 111.1° | 110.5° |
| C5' | C4' | C3' | 107.9° | 110.6° |
| C5' | C4' | H6 | 110.7° | 110.5° |
| C4' | C5' | H7 | 109.9° | 109.5° |
| C4' | C5' | H8 | 110.0° | 109.5° |
| O2B | PB | O1B | 103.0° | 109.5° |
| PB | O1B | H16 | 109.5° | 114.0° |
| C4' | C3' | C2' | 103.7° | 102.1° |
| C4' | C3' | N3' | 110.7° | 110.9° |
| C4' | C3' | H5 | 110.0° | 110.9° |
| C3' | C4' | H6 | 111.0° | 110.6° |
| C2' | C3' | N3' | 112.1° | 110.9° |
| C3' | C2' | H3 | 111.2° | 110.4° |
| C3' | C2' | H4 | 111.2° | 110.5° |
| C2' | C3' | H5 | 109.9° | 110.9° |
| N3' | C3' | H5 | 110.3° | 110.8° |
| C3' | N3' | H12 | 109.5° | 111.0° |
| C3' | N3' | H13 | 109.4° | 111.0° |
| H3 | C2' | H4 | 109.5° | 110.6° |
| H7 | C5' | H8 | 109.5° | 109.5° |
| H9 | N2 | H10 | 120.0° | 120.0° |
| H12 | N3' | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | N1 | 179.6° | 179.8° |
| O6 | C6 | C5 | N7 | 0.5° | 0.2° |
| O6 | C6 | C5 | C4 | 179.8° | 180.0° |
| O6 | C6 | N1 | C2 | 179.9° | 179.7° |
| O2A | PA | O1A | O5' | 119.6° | 120.0° |
| O2A | PA | O1A | O3A | 119.1° | 120.0° |
| O2A | PA | O5' | O3A | 122.5° | 120.0° |
| O2A | PA | O5' | C5' | 164.7° | 55.0° |
| O2A | PA | O3A | PB | 104.6° | 45.0° |
| O2A | PA | O1A | H15 | 0.0° | 180.0° |
| C6 | C5 | N7 | C4 | 179.7° | 179.8° |
| C6 | C5 | N7 | C8 | 180.0° | 179.8° |
| C5 | C6 | N1 | C2 | 0.5° | 0.1° |
| C6 | C5 | C4 | N9 | 179.4° | 179.8° |
| C6 | C5 | C4 | N3 | 0.1° | 0.2° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.2° |
| C6 | N1 | C2 | N2 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.3° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| N7 | C5 | C4 | N9 | 0.4° | 0.0° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| C5 | N7 | C8 | H1 | 179.1° | 180.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.0° |
| N7 | C8 | N9 | H1 | 180.0° | 180.0° |
| N7 | C8 | N9 | C4 | 1.2° | 0.0° |
| N7 | C8 | N9 | C1' | 178.8° | 180.0° |
| C5 | C4 | N9 | C8 | 1.0° | 0.0° |
| C5 | C4 | N9 | N3 | 179.1° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C5 | C4 | N9 | C1' | 178.8° | 180.0° |
| C5 | C4 | N3 | H11 | 179.9° | 179.9° |
| O3G | PG | O1G | O3B | 124.1° | 120.1° |
| O3G | PG | O1G | O2G | 110.6° | 120.0° |
| O3G | PG | O3B | O2G | 120.2° | 120.0° |
| O3G | PG | O3B | PB | 160.8° | 44.9° |
| O3G | PG | O1G | H17 | 0.0° | 59.9° |
| O3G | PG | O2G | H18 | 0.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.3° |
| N1 | C2 | N2 | N3 | 179.9° | 179.7° |
| N1 | C2 | N2 | H9 | 0.0° | 179.7° |
| N1 | C2 | N2 | H10 | 180.0° | 0.3° |
| N1 | C2 | N3 | H11 | 179.9° | 179.8° |
| C8 | N9 | C4 | C1' | 177.7° | 180.0° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C8 | N9 | C1' | O4' | 24.5° | 22.9° |
| C8 | N9 | C1' | C2' | 92.6° | 95.0° |
| C8 | N9 | C1' | H2 | 149.5° | 144.0° |
| O1A | PA | O5' | O3A | 124.0° | 120.0° |
| O1A | PA | O5' | C5' | 51.3° | 65.0° |
| O1A | PA | O3A | PB | 8.9° | 75.0° |
| O5' | PA | O3A | PB | 132.3° | 165.1° |
| PA | O5' | C5' | C4' | 131.2° | 180.0° |
| PA | O5' | C5' | H7 | 11.6° | 60.0° |
| PA | O5' | C5' | H8 | 109.1° | 60.0° |
| O5' | PA | O1A | H15 | 119.6° | 60.0° |
| O3A | PA | O5' | C5' | 72.7° | 175.0° |
| PA | O3A | PB | O3B | 76.7° | 160.0° |
| PA | O3A | PB | O2B | 46.7° | 40.1° |
| PA | O3A | PB | O1B | 160.7° | 80.0° |
| O3A | PA | O1A | H15 | 119.1° | 60.0° |
| N9 | C4 | N3 | C2 | 179.1° | 179.9° |
| C4 | N9 | C1' | O4' | 157.8° | 157.1° |
| C4 | N9 | C1' | C2' | 85.0° | 85.0° |
| C4 | N9 | C8 | H1 | 178.9° | 180.0° |
| C4 | N9 | C1' | H2 | 32.9° | 36.0° |
| N9 | C4 | N3 | H11 | 0.9° | 0.0° |
| C4 | N3 | C2 | N2 | 180.0° | 180.0° |
| C4 | N3 | C2 | H11 | 180.0° | 179.9° |
| N3 | C4 | N9 | C1' | 2.2° | 0.0° |
| O5' | C5' | C4' | O4' | 40.4° | 70.9° |
| O5' | C5' | C4' | H7 | 119.7° | 119.9° |
| O5' | C5' | C4' | H8 | 119.7° | 120.0° |
| O5' | C5' | C4' | C3' | 73.5° | 174.9° |
| O5' | C5' | C4' | H6 | 164.8° | 52.1° |
| O5' | C5' | H7 | H8 | 120.9° | 120.0° |
| C2 | N2 | H9 | H10 | 180.0° | 180.0° |
| N2 | C2 | N3 | H11 | 0.0° | 0.1° |
| N3 | C2 | N2 | H9 | 179.9° | 0.0° |
| N3 | C2 | N2 | H10 | 0.1° | 180.0° |
| N9 | C1' | O4' | C2' | 116.7° | 119.5° |
| N9 | C1' | O4' | H2 | 125.0° | 121.1° |
| N9 | C1' | O4' | C4' | 121.0° | 146.0° |
| N9 | C1' | C2' | H2 | 118.8° | 121.0° |
| N9 | C1' | C2' | C3' | 104.5° | 121.6° |
| C1' | N9 | C8 | H1 | 1.3° | 0.0° |
| N9 | C1' | C2' | H3 | 136.6° | 119.8° |
| N9 | C1' | C2' | H4 | 14.4° | 2.9° |
| O1G | PG | O3B | O2G | 120.2° | 119.9° |
| O1G | PG | O3B | PB | 41.1° | 165.0° |
| O1G | PG | O2G | H18 | 110.1° | 60.0° |
| PG | O3B | PB | O3A | 125.8° | 165.0° |
| PG | O3B | PB | O2B | 2.0° | 45.1° |
| PG | O3B | PB | O1B | 112.1° | 75.0° |
| O3B | PG | O1G | H17 | 124.1° | 180.0° |
| O3B | PG | O2G | H18 | 124.4° | 60.0° |
| O2G | PG | O3B | PB | 79.1° | 75.1° |
| O2G | PG | O1G | H17 | 110.6° | 60.1° |
| O3B | PB | O3A | O2B | 123.5° | 119.9° |
| O3B | PB | O3A | O1B | 122.5° | 120.0° |
| O3B | PB | O2B | O1B | 119.1° | 120.1° |
| O3B | PB | O1B | H16 | 119.1° | 59.9° |
| O3A | PB | O2B | O1B | 118.6° | 120.0° |
| O3A | PB | O1B | H16 | 119.5° | 60.0° |
| O4' | C1' | C2' | H2 | 119.2° | 119.4° |
| C1' | O4' | C4' | C5' | 140.2° | 158.6° |
| C1' | O4' | C4' | C3' | 24.5° | 40.0° |
| O4' | C1' | C2' | C3' | 17.4° | 2.1° |
| O4' | C1' | C2' | H3 | 101.5° | 120.7° |
| O4' | C1' | C2' | H4 | 136.3° | 116.7° |
| C1' | O4' | C4' | H6 | 96.4° | 78.5° |
| C4' | O4' | C1' | C2' | 4.3° | 26.5° |
| O4' | C4' | C5' | C3' | 113.9° | 114.2° |
| O4' | C4' | C5' | H6 | 124.4° | 123.0° |
| O4' | C4' | C3' | H6 | 121.7° | 118.5° |
| O4' | C4' | C3' | C2' | 35.0° | 37.0° |
| O4' | C4' | C3' | N3' | 155.4° | 155.2° |
| C4' | O4' | C1' | H2 | 114.1° | 92.9° |
| O4' | C4' | C3' | H5 | 82.5° | 81.2° |
| O4' | C4' | C5' | H7 | 160.1° | 169.2° |
| O4' | C4' | C5' | H8 | 79.3° | 49.1° |
| C1' | C2' | C3' | C4' | 31.3° | 20.8° |
| C1' | C2' | C3' | H3 | 118.9° | 118.6° |
| C1' | C2' | C3' | H4 | 118.9° | 118.7° |
| C1' | C2' | C3' | N3' | 150.8° | 139.1° |
| C1' | C2' | H3 | H4 | 123.2° | 122.6° |
| C1' | C2' | C3' | H5 | 86.2° | 97.4° |
| C5' | C4' | C3' | H6 | 121.4° | 122.8° |
| C5' | C4' | C3' | C2' | 151.9° | 155.7° |
| C5' | C4' | C3' | N3' | 87.8° | 86.1° |
| C5' | C4' | C3' | H5 | 34.4° | 37.5° |
| C4' | C5' | H7 | H8 | 120.9° | 120.1° |
| O2B | PB | O1B | H16 | 0.0° | 180.0° |
| C4' | C3' | C2' | N3' | 119.4° | 118.3° |
| C4' | C3' | C2' | H5 | 117.5° | 118.2° |
| C4' | C3' | N3' | H5 | 122.0° | 123.6° |
| C4' | C3' | C2' | H3 | 87.5° | 97.8° |
| C4' | C3' | C2' | H4 | 150.2° | 139.5° |
| C3' | C4' | C5' | H7 | 46.1° | 55.0° |
| C3' | C4' | C5' | H8 | 166.8° | 65.1° |
| C4' | C3' | N3' | H12 | 180.0° | 174.2° |
| C4' | C3' | N3' | H13 | 60.0° | 61.9° |
| C2' | C3' | N3' | H5 | 122.8° | 123.6° |
| C3' | C2' | C1' | H2 | 136.6° | 117.3° |
| C3' | C2' | H3 | H4 | 123.2° | 122.7° |
| C2' | C3' | C4' | H6 | 86.7° | 81.5° |
| C2' | C3' | N3' | H12 | 64.8° | 61.4° |
| C2' | C3' | N3' | H13 | 175.2° | 174.6° |
| N3' | C3' | C2' | H3 | 31.9° | 20.4° |
| N3' | C3' | C2' | H4 | 90.4° | 102.2° |
| N3' | C3' | C4' | H6 | 33.7° | 36.7° |
| C3' | N3' | H12 | H13 | 120.0° | 123.9° |
| H2 | C1' | C2' | H3 | 17.7° | 1.3° |
| H2 | C1' | C2' | H4 | 104.5° | 123.9° |
| H3 | C2' | C3' | H5 | 154.9° | 144.0° |
| H4 | C2' | C3' | H5 | 32.7° | 21.3° |
| H5 | C3' | C4' | H6 | 155.8° | 160.3° |
| H5 | C3' | N3' | H12 | 58.0° | 62.2° |
| H5 | C3' | N3' | H13 | 62.0° | 61.8° |
| H6 | C4' | C5' | H7 | 75.5° | 67.8° |
| H6 | C4' | C5' | H8 | 45.1° | 172.1° |
