3GU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N6 | sing | 1.46Å | 1.47Å | |
| C1 | C21 | sing | 1.54Å | 1.53Å | |
| C1 | C24 | sing | 1.54Å | 1.53Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.38Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.50Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C1 | C21 | 108.5° | 110.0° |
| N6 | C1 | C24 | 107.3° | 110.0° |
| C1 | N6 | C6 | 125.3° | 120.0° |
| N6 | C1 | H1 | 109.4° | 110.0° |
| C1 | N6 | HN6 | 104.5° | 120.0° |
| C21 | C1 | C24 | 102.1° | 106.6° |
| C1 | C21 | C22 | 106.9° | 106.6° |
| C21 | C1 | H1 | 114.0° | 110.1° |
| C1 | C21 | H21 | 110.3° | 110.0° |
| C1 | C21 | H21A | 110.4° | 110.0° |
| C1 | C24 | C23 | 109.1° | 104.2° |
| C24 | C1 | H1 | 115.1° | 110.1° |
| C1 | C24 | H24 | 109.6° | 110.5° |
| C1 | C24 | H24A | 109.6° | 110.5° |
| C2 | N1 | C6 | 122.4° | 121.2° |
| N1 | C2 | N3 | 120.4° | 122.5° |
| N1 | C2 | H2 | 119.8° | 118.7° |
| N1 | C6 | C5 | 117.9° | 118.5° |
| N1 | C6 | N6 | 116.5° | 120.8° |
| C2 | N3 | C4 | 120.3° | 120.6° |
| N3 | C2 | H2 | 119.8° | 118.8° |
| N3 | C4 | C5 | 120.7° | 119.1° |
| N3 | C4 | N9 | 131.2° | 134.9° |
| C5 | C4 | N9 | 108.0° | 105.9° |
| C4 | C5 | C6 | 118.2° | 118.1° |
| C4 | C5 | N7 | 106.7° | 107.2° |
| C4 | N9 | C8 | 108.5° | 107.4° |
| C4 | N9 | C1' | 123.9° | 126.3° |
| C6 | C5 | N7 | 135.0° | 134.7° |
| C5 | C6 | N6 | 125.6° | 120.7° |
| C5 | N7 | C8 | 107.6° | 109.5° |
| C6 | N6 | HN6 | 104.5° | 120.0° |
| N7 | C8 | N9 | 109.1° | 110.0° |
| N7 | C8 | H8 | 125.5° | 125.1° |
| C8 | N9 | C1' | 127.5° | 126.3° |
| N9 | C8 | H8 | 125.4° | 125.0° |
| N9 | C1' | C2' | 115.5° | 110.6° |
| N9 | C1' | O4' | 107.3° | 110.6° |
| N9 | C1' | H1' | 106.1° | 110.5° |
| C2' | C1' | O4' | 106.8° | 103.5° |
| C1' | C2' | O2' | 107.5° | 110.9° |
| C1' | C2' | C3' | 103.0° | 102.0° |
| C2' | C1' | H1' | 106.5° | 110.6° |
| C1' | C2' | H2' | 114.8° | 110.9° |
| C1' | O4' | C4' | 109.3° | 107.0° |
| O4' | C1' | H1' | 114.9° | 110.8° |
| O2' | C2' | C3' | 109.4° | 110.9° |
| O2' | C2' | H2' | 108.9° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 112.4° | 110.5° |
| C2' | C3' | C4' | 102.4° | 104.2° |
| C3' | C2' | H2' | 113.0° | 110.9° |
| C2' | C3' | H3' | 113.8° | 110.5° |
| C21 | C22 | C23 | 104.5° | 104.2° |
| C22 | C21 | H21 | 110.4° | 110.1° |
| C22 | C21 | H21A | 110.3° | 110.1° |
| C21 | C22 | H22 | 111.2° | 110.5° |
| C21 | C22 | H22A | 111.1° | 110.5° |
| C22 | C23 | C24 | 106.2° | 102.7° |
| C23 | C22 | H22 | 111.2° | 110.5° |
| C23 | C22 | H22A | 111.2° | 110.6° |
| C22 | C23 | H23 | 110.5° | 110.8° |
| C22 | C23 | H23A | 110.6° | 110.7° |
| C24 | C23 | H23 | 110.6° | 110.8° |
| C24 | C23 | H23A | 110.5° | 110.8° |
| C23 | C24 | H24 | 109.6° | 110.5° |
| C23 | C24 | H24A | 109.6° | 110.4° |
| O3' | C3' | C4' | 113.6° | 110.5° |
| O3' | C3' | H3' | 102.6° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.8° | 107.3° |
| C3' | C4' | C5' | 112.4° | 109.8° |
| C4' | C3' | H3' | 112.6° | 110.6° |
| C3' | C4' | H4' | 110.0° | 109.8° |
| O4' | C4' | C5' | 109.7° | 109.9° |
| O4' | C4' | H4' | 112.8° | 109.9° |
| C4' | C5' | O5' | 109.6° | 109.4° |
| C5' | C4' | H4' | 106.3° | 110.0° |
| C4' | C5' | H5' | 109.4° | 109.5° |
| C4' | C5' | H5'A | 109.4° | 109.4° |
| O5' | C5' | H5' | 109.4° | 109.5° |
| O5' | C5' | H5'A | 109.4° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| H21 | C21 | H21A | 108.6° | 110.0° |
| H22 | C22 | H22A | 107.7° | 110.5° |
| H23 | C23 | H23A | 108.4° | 110.8° |
| H24 | C24 | H24A | 109.3° | 110.5° |
| H5' | C5' | H5'A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C1 | C21 | C24 | 113.1° | 119.2° |
| N6 | C1 | C21 | H1 | 122.1° | 121.4° |
| N6 | C1 | C24 | H1 | 122.0° | 121.4° |
| C1 | N6 | C6 | N1 | 179.2° | 0.1° |
| C1 | N6 | C6 | C5 | 1.3° | 180.0° |
| C1 | N6 | C6 | HN6 | 120.0° | 179.9° |
| N6 | C1 | C21 | C22 | 145.8° | 119.3° |
| N6 | C1 | C24 | C23 | 134.8° | 142.9° |
| N6 | C1 | C21 | H21 | 94.2° | 121.4° |
| N6 | C1 | C21 | H21A | 25.8° | 0.1° |
| N6 | C1 | C24 | H24 | 14.8° | 24.2° |
| N6 | C1 | C24 | H24A | 105.1° | 98.4° |
| C21 | C1 | C24 | H1 | 124.1° | 119.3° |
| C21 | C1 | N6 | C6 | 175.5° | 155.0° |
| C1 | C21 | C22 | H21 | 120.0° | 119.3° |
| C1 | C21 | C22 | H21A | 120.0° | 119.3° |
| C1 | C21 | C22 | C23 | 32.5° | 23.6° |
| C21 | C1 | C24 | C23 | 20.9° | 23.6° |
| C21 | C1 | N6 | HN6 | 55.5° | 24.9° |
| C1 | C21 | H21 | H21A | 121.1° | 121.3° |
| C1 | C21 | C22 | H22 | 87.5° | 142.3° |
| C1 | C21 | C22 | H22A | 152.5° | 95.1° |
| C21 | C1 | C24 | H24 | 99.1° | 95.1° |
| C21 | C1 | C24 | H24A | 140.9° | 142.3° |
| C24 | C1 | N6 | C6 | 65.9° | 87.9° |
| C24 | C1 | C21 | C22 | 32.7° | 0.0° |
| C1 | C24 | C23 | C22 | 1.6° | 38.0° |
| C1 | C24 | C23 | H24 | 120.0° | 118.7° |
| C1 | C24 | C23 | H24A | 120.0° | 118.7° |
| C24 | C1 | N6 | HN6 | 54.1° | 92.2° |
| C24 | C1 | C21 | H21 | 152.7° | 119.3° |
| C24 | C1 | C21 | H21A | 87.3° | 119.3° |
| C1 | C24 | C23 | H23 | 118.3° | 80.4° |
| C1 | C24 | C23 | H23A | 121.6° | 156.2° |
| C1 | C24 | H24 | H24A | 120.1° | 122.7° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| C2 | N1 | C6 | N6 | 179.5° | 179.9° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| N1 | C6 | C5 | C4 | 1.1° | 0.0° |
| N1 | C6 | C5 | N6 | 179.4° | 179.9° |
| N1 | C6 | C5 | N7 | 179.0° | 180.0° |
| C6 | N1 | C2 | H2 | 179.6° | 180.0° |
| N1 | C6 | N6 | HN6 | 59.2° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | N9 | 179.0° | 180.0° |
| N3 | C4 | C5 | N9 | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 179.6° | 180.0° |
| N3 | C4 | N9 | C1' | 2.7° | 0.1° |
| C4 | N3 | C2 | H2 | 179.7° | 180.0° |
| C4 | C5 | C6 | N7 | 179.9° | 179.9° |
| C4 | C5 | C6 | N6 | 179.5° | 179.9° |
| C4 | C5 | N7 | C8 | 0.8° | 0.0° |
| C5 | C4 | N9 | C8 | 1.1° | 0.0° |
| C5 | C4 | N9 | C1' | 178.0° | 180.0° |
| N9 | C4 | C5 | C6 | 179.9° | 179.9° |
| N9 | C4 | C5 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | N7 | 1.6° | 0.0° |
| C4 | N9 | C8 | C1' | 176.7° | 180.0° |
| C4 | N9 | C1' | C2' | 97.2° | 84.9° |
| C4 | N9 | C1' | O4' | 143.9° | 161.0° |
| C4 | N9 | C8 | H8 | 178.4° | 179.9° |
| C4 | N9 | C1' | H1' | 20.6° | 37.9° |
| C6 | C5 | N7 | C8 | 179.1° | 179.9° |
| C5 | C6 | N6 | HN6 | 121.3° | 0.1° |
| N7 | C5 | C6 | N6 | 0.4° | 0.2° |
| C5 | N7 | C8 | N9 | 1.5° | 0.0° |
| C5 | N7 | C8 | H8 | 178.5° | 179.9° |
| C6 | N6 | C1 | H1 | 59.5° | 33.5° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 178.4° | 180.0° |
| C8 | N9 | C1' | C2' | 86.6° | 95.0° |
| C8 | N9 | C1' | O4' | 32.4° | 19.0° |
| C8 | N9 | C1' | H1' | 155.6° | 142.1° |
| N9 | C1' | C2' | O4' | 119.2° | 118.5° |
| N9 | C1' | C2' | H1' | 117.6° | 122.8° |
| N9 | C1' | O4' | H1' | 117.7° | 122.9° |
| N9 | C1' | C2' | O2' | 151.7° | 86.3° |
| N9 | C1' | C2' | C3' | 92.9° | 155.5° |
| N9 | C1' | O4' | C4' | 117.9° | 158.6° |
| C1' | N9 | C8 | H8 | 1.6° | 0.1° |
| N9 | C1' | C2' | H2' | 30.4° | 37.3° |
| C2' | C1' | O4' | H1' | 117.9° | 118.6° |
| C1' | C2' | O2' | C3' | 111.1° | 112.7° |
| C1' | C2' | O2' | H2' | 124.9° | 123.7° |
| C1' | C2' | C3' | H2' | 124.4° | 118.2° |
| C1' | C2' | C3' | O3' | 156.9° | 97.8° |
| C1' | C2' | C3' | C4' | 34.7° | 20.9° |
| C2' | C1' | O4' | C4' | 6.5° | 40.1° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 87.0° | 139.7° |
| O4' | C1' | C2' | O2' | 89.1° | 155.2° |
| O4' | C1' | C2' | C3' | 26.3° | 37.0° |
| C1' | O4' | C4' | C3' | 16.0° | 26.5° |
| C1' | O4' | C4' | C5' | 137.4° | 145.9° |
| O4' | C1' | C2' | H2' | 149.6° | 81.2° |
| C1' | O4' | C4' | H4' | 104.4° | 92.9° |
| O2' | C2' | C3' | H2' | 121.5° | 123.6° |
| O2' | C2' | C3' | O3' | 42.9° | 20.3° |
| O2' | C2' | C3' | C4' | 79.3° | 139.1° |
| O2' | C2' | C1' | H1' | 34.1° | 36.5° |
| O2' | C2' | C3' | H3' | 158.9° | 102.1° |
| C2' | C3' | O3' | C4' | 115.6° | 114.8° |
| C2' | C3' | O3' | H3' | 122.6° | 122.5° |
| C2' | C3' | C4' | H3' | 122.6° | 118.7° |
| C2' | C3' | C4' | O4' | 31.8° | 2.0° |
| C2' | C3' | C4' | C5' | 151.5° | 121.5° |
| C3' | C2' | C1' | H1' | 149.6° | 81.7° |
| C3' | C2' | O2' | HO2' | 68.9° | 67.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C2' | C3' | C4' | H4' | 90.3° | 117.4° |
| C21 | C22 | C23 | H22 | 120.0° | 118.6° |
| C21 | C22 | C23 | H22A | 120.0° | 118.7° |
| C21 | C22 | C23 | C24 | 18.5° | 38.0° |
| C22 | C21 | C1 | H1 | 92.1° | 119.3° |
| C22 | C21 | H21 | H21A | 121.1° | 121.5° |
| C21 | C22 | H22 | H22A | 122.0° | 122.6° |
| C21 | C22 | C23 | H23 | 138.5° | 80.3° |
| C21 | C22 | C23 | H23A | 101.5° | 156.3° |
| C22 | C23 | C24 | H23 | 120.0° | 118.3° |
| C22 | C23 | C24 | H23A | 120.0° | 118.2° |
| C23 | C22 | C21 | H21 | 152.5° | 95.6° |
| C23 | C22 | C21 | H21A | 87.5° | 142.9° |
| C23 | C22 | H22 | H22A | 122.0° | 122.7° |
| C22 | C23 | H23 | H23A | 121.3° | 123.3° |
| C22 | C23 | C24 | H24 | 118.4° | 80.7° |
| C22 | C23 | C24 | H24A | 121.6° | 156.7° |
| C23 | C24 | C1 | H1 | 103.2° | 95.7° |
| C24 | C23 | C22 | H22 | 101.5° | 156.6° |
| C24 | C23 | C22 | H22A | 138.5° | 80.7° |
| C24 | C23 | H23 | H23A | 121.3° | 123.4° |
| C23 | C24 | H24 | H24A | 120.1° | 122.5° |
| O3' | C3' | C4' | H3' | 116.1° | 122.6° |
| O3' | C3' | C4' | O4' | 153.2° | 120.7° |
| O3' | C3' | C4' | C5' | 87.1° | 119.8° |
| O3' | C3' | C2' | H2' | 78.6° | 144.0° |
| O3' | C3' | C4' | H4' | 31.1° | 1.2° |
| C3' | C4' | O4' | C5' | 121.5° | 119.4° |
| C3' | C4' | O4' | H4' | 120.3° | 119.4° |
| C3' | C4' | C5' | H4' | 120.4° | 121.0° |
| C3' | C4' | C5' | O5' | 35.1° | 175.0° |
| C4' | C3' | C2' | H2' | 159.2° | 97.3° |
| C4' | C3' | O3' | HO3' | 64.4° | 65.2° |
| C3' | C4' | C5' | H5' | 155.1° | 55.0° |
| C3' | C4' | C5' | H5'A | 84.9° | 65.1° |
| O4' | C4' | C5' | H4' | 122.2° | 121.2° |
| O4' | C4' | C5' | O5' | 82.4° | 67.2° |
| C4' | O4' | C1' | H1' | 124.4° | 78.5° |
| O4' | C4' | C3' | H3' | 90.7° | 116.7° |
| O4' | C4' | C5' | H5' | 37.6° | 172.8° |
| O4' | C4' | C5' | H5'A | 157.6° | 52.8° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 119.9° |
| C5' | C4' | C3' | H3' | 29.0° | 2.8° |
| C4' | C5' | H5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 179.9° |
| O5' | C5' | C4' | H4' | 155.5° | 54.0° |
| O5' | C5' | H5' | H5'A | 119.9° | 120.1° |
| H1 | C1 | N6 | HN6 | 179.5° | 146.4° |
| H1 | C1 | C21 | H21 | 27.9° | 0.0° |
| H1 | C1 | C21 | H21A | 147.9° | 121.4° |
| H1 | C1 | C24 | H24 | 136.8° | 145.6° |
| H1 | C1 | C24 | H24A | 16.8° | 23.0° |
| H1' | C1' | C2' | H2' | 87.2° | 160.1° |
| H2' | C2' | O2' | HO2' | 55.1° | 56.4° |
| H2' | C2' | C3' | H3' | 37.4° | 21.5° |
| H21 | C21 | C22 | H22 | 32.5° | 23.0° |
| H21 | C21 | C22 | H22A | 87.5° | 145.6° |
| H21A | C21 | C22 | H22 | 152.5° | 98.4° |
| H21A | C21 | C22 | H22A | 32.5° | 24.2° |
| H22 | C22 | C23 | H23 | 18.5° | 38.3° |
| H22 | C22 | C23 | H23A | 138.5° | 85.1° |
| H22A | C22 | C23 | H23 | 101.5° | 161.0° |
| H22A | C22 | C23 | H23A | 18.5° | 37.6° |
| H23 | C23 | C24 | H24 | 121.6° | 160.9° |
| H23 | C23 | C24 | H24A | 1.7° | 38.3° |
| H23A | C23 | C24 | H24 | 1.6° | 37.5° |
| H23A | C23 | C24 | H24A | 118.3° | 85.1° |
| H3' | C3' | O3' | HO3' | 57.4° | 57.5° |
| H3' | C3' | C4' | H4' | 147.2° | 123.9° |
| H4' | C4' | C5' | H5' | 84.6° | 66.0° |
| H4' | C4' | C5' | H5'A | 35.5° | 173.9° |
| H5' | C5' | O5' | HO5' | 60.0° | 60.1° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
