6NQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| BR | C2' | sing | 1.97Å | 1.98Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| C1' | O4' | sing | 1.44Å | 1.40Å | |
| C1' | N9 | sing | 1.47Å | 1.45Å | |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.32Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| O3G | PG | doub | 1.48Å | 1.52Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| O3A | PA | sing | 1.61Å | 1.52Å | |
| PB | O1B | sing | 1.61Å | 1.48Å | |
| PB | N3B | sing | 1.68Å | 1.71Å | |
| O5' | PA | sing | 1.61Å | 1.58Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| O2G | PG | sing | 1.61Å | 1.53Å | |
| PA | O2A | doub | 1.48Å | 1.46Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| PG | N3B | sing | 1.68Å | 1.72Å | |
| PG | O1G | sing | 1.61Å | 1.49Å | |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O1G | H2 | sing | 0.97Å | 0.95Å | |
| O2G | H3 | sing | 0.97Å | 0.95Å | |
| O1B | H4 | sing | 0.97Å | 0.95Å | |
| N3B | H5 | sing | 1.01Å | 1.00Å | |
| O1A | H6 | sing | 0.97Å | 0.95Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C3' | H10 | sing | 1.09Å | 1.10Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| C2' | H12 | sing | 1.09Å | 1.10Å | |
| C1' | H13 | sing | 1.09Å | 1.10Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C2' | 108.2° | 110.5° |
| O3' | C3' | C4' | 114.5° | 110.5° |
| O3' | C3' | H10 | 111.4° | 110.5° |
| C3' | O3' | H11 | 109.5° | 114.0° |
| BR | C2' | C3' | 109.3° | 110.9° |
| BR | C2' | C1' | 109.5° | 110.9° |
| BR | C2' | H12 | 108.1° | 110.9° |
| C2' | C3' | C4' | 102.8° | 104.2° |
| C3' | C2' | C1' | 102.7° | 102.1° |
| C2' | C3' | H10 | 109.7° | 110.5° |
| C3' | C2' | H12 | 113.5° | 110.9° |
| C3' | C4' | O4' | 106.5° | 107.3° |
| C3' | C4' | C5' | 114.9° | 109.9° |
| C3' | C4' | H9 | 108.4° | 110.0° |
| C4' | C3' | H10 | 109.8° | 110.5° |
| C2' | C1' | O4' | 103.8° | 103.5° |
| C2' | C1' | N9 | 111.3° | 110.7° |
| C1' | C2' | H12 | 113.7° | 110.9° |
| C2' | C1' | H13 | 110.2° | 110.6° |
| O4' | C4' | C5' | 108.9° | 109.9° |
| C4' | O4' | C1' | 110.7° | 106.9° |
| O4' | C4' | H9 | 109.6° | 109.8° |
| C4' | C5' | O5' | 106.4° | 109.5° |
| C4' | C5' | H7 | 110.2° | 109.5° |
| C4' | C5' | H8 | 110.3° | 109.4° |
| C5' | C4' | H9 | 108.6° | 109.9° |
| O2B | PB | O3A | 103.0° | 109.5° |
| O2B | PB | O1B | 108.8° | 109.5° |
| O2B | PB | N3B | 104.3° | 109.5° |
| O4' | C1' | N9 | 107.6° | 110.6° |
| O4' | C1' | H13 | 112.2° | 110.6° |
| C1' | N9 | C4 | 127.4° | 126.3° |
| C1' | N9 | C8 | 126.9° | 126.3° |
| N9 | C1' | H13 | 111.4° | 110.6° |
| C2 | N3 | C4 | 111.3° | 120.6° |
| N3 | C2 | N1 | 128.9° | 122.4° |
| N3 | C2 | H16 | 115.5° | 118.8° |
| N3 | C4 | N9 | 127.1° | 134.9° |
| N3 | C4 | C5 | 126.6° | 119.1° |
| C2 | N1 | C6 | 118.2° | 121.2° |
| N1 | C2 | H16 | 115.6° | 118.8° |
| C5' | O5' | PA | 122.8° | 123.0° |
| O5' | C5' | H7 | 110.3° | 109.5° |
| O5' | C5' | H8 | 110.2° | 109.5° |
| C4 | N9 | C8 | 105.6° | 107.4° |
| N9 | C4 | C5 | 106.2° | 106.0° |
| N9 | C8 | N7 | 114.0° | 110.0° |
| N9 | C8 | H1 | 123.0° | 125.0° |
| C4 | C5 | C6 | 117.1° | 118.2° |
| C4 | C5 | N7 | 110.6° | 107.1° |
| O3G | PG | O2G | 115.4° | 109.5° |
| O3G | PG | N3B | 109.6° | 109.5° |
| O3G | PG | O1G | 96.7° | 109.5° |
| PB | O3A | PA | 114.0° | 134.0° |
| O3A | PB | O1B | 113.6° | 109.4° |
| O3A | PB | N3B | 115.9° | 109.5° |
| O3A | PA | O5' | 113.0° | 109.5° |
| O3A | PA | O2A | 110.2° | 109.5° |
| O3A | PA | O1A | 106.3° | 109.5° |
| O1B | PB | N3B | 110.2° | 109.5° |
| PB | O1B | H4 | 109.5° | 114.0° |
| PB | N3B | PG | 118.0° | 111.0° |
| PB | N3B | H5 | 107.3° | 111.0° |
| O5' | PA | O2A | 98.6° | 109.5° |
| O5' | PA | O1A | 105.1° | 109.5° |
| N1 | C6 | C5 | 117.8° | 118.4° |
| N1 | C6 | N6 | 118.5° | 120.8° |
| O2G | PG | N3B | 112.2° | 109.4° |
| O2G | PG | O1G | 114.8° | 109.5° |
| PG | O2G | H3 | 109.5° | 114.0° |
| O2A | PA | O1A | 123.4° | 109.5° |
| PA | O1A | H6 | 109.5° | 114.0° |
| N3B | PG | O1G | 106.9° | 109.5° |
| PG | N3B | H5 | 107.3° | 111.0° |
| PG | O1G | H2 | 109.5° | 113.9° |
| C8 | N7 | C5 | 103.5° | 109.5° |
| N7 | C8 | H1 | 123.0° | 125.1° |
| C6 | C5 | N7 | 132.3° | 134.7° |
| C5 | C6 | N6 | 123.7° | 120.8° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| C6 | N6 | H15 | 109.5° | 120.0° |
| H7 | C5' | H8 | 109.5° | 109.5° |
| H14 | N6 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C2' | BR | 24.3° | 20.4° |
| O3' | C3' | C2' | C4' | 121.5° | 118.7° |
| O3' | C3' | C2' | H10 | 121.7° | 122.7° |
| O3' | C3' | C4' | H10 | 126.2° | 122.6° |
| O3' | C3' | C2' | C1' | 91.9° | 97.8° |
| O3' | C3' | C4' | O4' | 104.5° | 120.7° |
| O3' | C3' | C4' | C5' | 134.9° | 119.8° |
| O3' | C3' | C4' | H9 | 13.3° | 1.2° |
| O3' | C3' | C2' | H12 | 145.0° | 144.0° |
| BR | C2' | C3' | C1' | 116.2° | 118.2° |
| BR | C2' | C3' | H12 | 120.7° | 123.6° |
| BR | C2' | C3' | C4' | 145.8° | 139.1° |
| BR | C2' | C1' | H12 | 121.0° | 123.6° |
| BR | C2' | C1' | O4' | 153.1° | 155.2° |
| BR | C2' | C1' | N9 | 91.4° | 86.3° |
| BR | C2' | C3' | H10 | 97.4° | 102.2° |
| BR | C2' | C1' | H13 | 32.7° | 36.7° |
| C2' | C3' | C4' | H10 | 116.7° | 118.7° |
| C3' | C2' | C1' | H12 | 123.0° | 118.2° |
| C2' | C3' | C4' | O4' | 12.6° | 2.0° |
| C2' | C3' | C4' | C5' | 108.0° | 121.5° |
| C3' | C2' | C1' | O4' | 37.0° | 37.0° |
| C3' | C2' | C1' | N9 | 152.5° | 155.5° |
| C2' | C3' | C4' | H9 | 130.4° | 117.4° |
| C2' | C3' | O3' | H11 | 180.0° | 61.4° |
| C3' | C2' | C1' | H13 | 83.3° | 81.5° |
| C4' | C3' | C2' | C1' | 29.6° | 20.9° |
| C3' | C4' | O4' | C5' | 124.4° | 119.5° |
| C3' | C4' | O4' | H9 | 117.0° | 119.6° |
| C3' | C4' | C5' | H9 | 121.4° | 121.2° |
| C3' | C4' | O4' | C1' | 11.3° | 26.4° |
| C3' | C4' | C5' | O5' | 62.7° | 175.7° |
| C3' | C4' | C5' | H7 | 177.8° | 64.3° |
| C3' | C4' | C5' | H8 | 56.8° | 55.7° |
| C4' | C3' | O3' | H11 | 66.1° | 176.2° |
| C4' | C3' | C2' | H12 | 93.5° | 97.3° |
| C2' | C1' | O4' | C4' | 30.6° | 40.0° |
| C2' | C1' | O4' | N9 | 118.1° | 118.6° |
| C2' | C1' | O4' | H13 | 119.0° | 118.5° |
| C2' | C1' | N9 | H13 | 123.5° | 123.0° |
| C2' | C1' | N9 | C4 | 110.4° | 85.0° |
| C2' | C1' | N9 | C8 | 70.1° | 95.0° |
| C1' | C2' | C3' | H10 | 146.4° | 139.5° |
| O4' | C4' | C5' | H9 | 119.2° | 120.9° |
| C4' | O4' | C1' | N9 | 148.7° | 158.6° |
| O4' | C4' | C5' | O5' | 56.6° | 66.4° |
| O4' | C4' | C5' | H7 | 62.9° | 53.6° |
| O4' | C4' | C5' | H8 | 176.1° | 173.6° |
| O4' | C4' | C3' | H10 | 129.4° | 116.7° |
| C4' | O4' | C1' | H13 | 88.4° | 78.6° |
| C5' | C4' | O4' | C1' | 135.7° | 145.9° |
| C4' | C5' | O5' | H7 | 119.5° | 120.0° |
| C4' | C5' | O5' | H8 | 119.5° | 120.0° |
| C4' | C5' | O5' | PA | 141.7° | 180.0° |
| C4' | C5' | H7 | H8 | 121.4° | 120.0° |
| C5' | C4' | C3' | H10 | 8.7° | 2.8° |
| O2B | PB | O3A | O1B | 117.6° | 120.0° |
| O2B | PB | O3A | N3B | 113.2° | 120.1° |
| O2B | PB | O3A | PA | 153.1° | 59.9° |
| O2B | PB | O1B | N3B | 113.8° | 120.0° |
| O2B | PB | N3B | PG | 77.8° | 60.0° |
| O2B | PB | O1B | H4 | 0.0° | 180.0° |
| O2B | PB | N3B | H5 | 161.0° | 64.0° |
| O4' | C1' | N9 | H13 | 123.4° | 122.9° |
| O4' | C1' | N9 | C4 | 136.5° | 160.9° |
| O4' | C1' | N9 | C8 | 43.1° | 19.1° |
| C1' | O4' | C4' | H9 | 105.7° | 93.1° |
| O4' | C1' | C2' | H12 | 85.9° | 81.2° |
| C1' | N9 | C4 | N3 | 1.8° | 0.3° |
| C1' | N9 | C4 | C8 | 179.7° | 180.0° |
| C1' | N9 | C4 | C5 | 179.0° | 180.0° |
| C1' | N9 | C8 | N7 | 179.3° | 179.7° |
| C1' | N9 | C8 | H1 | 0.8° | 0.1° |
| N9 | C1' | C2' | H12 | 29.6° | 37.3° |
| N3 | C2 | N1 | H16 | 180.0° | 180.0° |
| C2 | N3 | C4 | N9 | 178.0° | 179.6° |
| C2 | N3 | C4 | C5 | 1.3° | 0.0° |
| N3 | C2 | N1 | C6 | 1.0° | 0.0° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | N9 | C5 | 177.2° | 179.7° |
| N3 | C4 | N9 | C8 | 178.5° | 179.7° |
| N3 | C4 | C5 | C6 | 1.8° | 0.0° |
| N3 | C4 | C5 | N7 | 178.4° | 180.0° |
| C4 | N3 | C2 | H16 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| C2 | N1 | C6 | N6 | 178.8° | 180.0° |
| C5' | O5' | PA | O3A | 33.7° | 175.0° |
| C5' | O5' | PA | O2A | 150.1° | 55.0° |
| C5' | O5' | PA | O1A | 81.8° | 65.0° |
| O5' | C5' | H7 | H8 | 121.4° | 120.0° |
| O5' | C5' | C4' | H9 | 175.9° | 54.5° |
| C4 | N9 | C8 | N7 | 1.1° | 0.2° |
| N9 | C4 | C5 | C6 | 179.0° | 179.8° |
| N9 | C4 | C5 | N7 | 1.2° | 0.3° |
| C4 | N9 | C8 | H1 | 178.9° | 179.9° |
| C4 | N9 | C1' | H13 | 13.1° | 38.0° |
| C8 | N9 | C4 | C5 | 1.3° | 0.0° |
| N9 | C8 | N7 | H1 | 180.0° | 179.6° |
| N9 | C8 | N7 | C5 | 0.3° | 0.4° |
| C8 | N9 | C1' | H13 | 166.5° | 142.0° |
| C4 | C5 | C6 | N1 | 0.9° | 0.0° |
| C4 | C5 | N7 | C8 | 0.5° | 0.4° |
| C4 | C5 | C6 | N7 | 179.7° | 179.9° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| O3G | PG | N3B | PB | 6.6° | 60.0° |
| O3G | PG | O2G | N3B | 126.6° | 120.0° |
| O3G | PG | O2G | O1G | 111.2° | 120.0° |
| O3G | PG | N3B | O1G | 103.7° | 120.0° |
| O3G | PG | O1G | H2 | 0.0° | 60.0° |
| O3G | PG | O2G | H3 | 0.0° | 180.0° |
| O3G | PG | N3B | H5 | 127.9° | 176.1° |
| O3A | PB | O1B | N3B | 132.1° | 120.0° |
| PB | O3A | PA | O5' | 94.8° | 165.1° |
| PB | O3A | PA | O2A | 156.0° | 45.0° |
| PB | O3A | PA | O1A | 19.9° | 75.0° |
| O3A | PB | N3B | PG | 34.7° | 179.9° |
| O3A | PB | O1B | H4 | 114.1° | 60.0° |
| O3A | PB | N3B | H5 | 86.6° | 56.1° |
| PA | O3A | PB | O1B | 35.6° | 60.0° |
| PA | O3A | PB | N3B | 93.7° | 180.0° |
| O3A | PA | O5' | O2A | 116.4° | 120.0° |
| O3A | PA | O5' | O1A | 115.5° | 120.0° |
| O3A | PA | O2A | O1A | 127.0° | 120.0° |
| O3A | PA | O1A | H6 | 128.7° | 60.0° |
| O1B | PB | N3B | PG | 165.6° | 60.0° |
| O1B | PB | N3B | H5 | 44.3° | 176.0° |
| PB | N3B | PG | O2G | 136.2° | 60.0° |
| PB | N3B | PG | H5 | 121.2° | 124.0° |
| PB | N3B | PG | O1G | 97.1° | 180.0° |
| N3B | PB | O1B | H4 | 113.8° | 60.0° |
| O5' | PA | O2A | O1A | 114.5° | 120.0° |
| O5' | PA | O1A | H6 | 111.3° | 60.0° |
| PA | O5' | C5' | H7 | 98.8° | 60.0° |
| PA | O5' | C5' | H8 | 22.2° | 60.0° |
| N1 | C6 | C5 | N6 | 179.1° | 180.0° |
| N1 | C6 | C5 | N7 | 179.4° | 180.0° |
| N1 | C6 | N6 | H14 | 0.0° | 180.0° |
| N1 | C6 | N6 | H15 | 120.0° | 0.0° |
| C6 | N1 | C2 | H16 | 179.1° | 180.0° |
| O2G | PG | N3B | O1G | 126.6° | 120.0° |
| O2G | PG | O1G | H2 | 122.0° | 60.0° |
| O2G | PG | N3B | H5 | 102.5° | 64.0° |
| O2A | PA | O1A | H6 | 0.0° | 180.0° |
| N3B | PG | O1G | H2 | 112.9° | 180.0° |
| N3B | PG | O2G | H3 | 126.6° | 60.0° |
| O1G | PG | O2G | H3 | 111.2° | 60.0° |
| O1G | PG | N3B | H5 | 24.1° | 56.0° |
| C8 | N7 | C5 | C6 | 179.8° | 179.6° |
| C5 | C6 | N6 | H14 | 179.1° | 0.0° |
| C5 | C6 | N6 | H15 | 60.9° | 180.0° |
| N7 | C5 | C6 | N6 | 0.3° | 0.1° |
| C5 | N7 | C8 | H1 | 179.6° | 179.9° |
| C6 | N6 | H14 | H15 | 120.0° | 180.0° |
| H7 | C5' | C4' | H9 | 56.3° | 174.5° |
| H8 | C5' | C4' | H9 | 64.6° | 65.5° |
| H9 | C4' | C3' | H10 | 112.8° | 123.9° |
| H10 | C3' | O3' | H11 | 59.3° | 61.2° |
| H10 | C3' | C2' | H12 | 23.3° | 21.4° |
| H12 | C2' | C1' | H13 | 153.7° | 160.3° |
