3DH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CB | HBB | sing | 1.09Å | 1.10Å | |
| CG | SD | sing | 1.81Å | 1.87Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| C5' | SD | sing | 1.81Å | 1.82Å | |
| C5' | C4' | sing | 1.53Å | 1.57Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.51Å | |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C1' | sing | 1.55Å | 1.56Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CB | HB | 109.5° | 109.5° |
| CG | CB | HBA | 109.4° | 109.5° |
| CG | CB | HBB | 109.4° | 109.4° |
| CB | CG | SD | 110.7° | 109.4° |
| CB | CG | HG | 109.1° | 109.5° |
| CB | CG | HGA | 108.8° | 109.5° |
| HB | CB | HBA | 109.5° | 109.5° |
| HB | CB | HBB | 109.5° | 109.5° |
| HBA | CB | HBB | 109.5° | 109.5° |
| SD | CG | HG | 109.1° | 109.4° |
| SD | CG | HGA | 108.8° | 109.5° |
| CG | SD | C5' | 102.5° | 103.0° |
| HG | CG | HGA | 110.4° | 109.5° |
| SD | C5' | C4' | 108.5° | 109.4° |
| SD | C5' | H5' | 109.8° | 109.5° |
| SD | C5' | H5'A | 110.0° | 109.4° |
| C4' | C5' | H5' | 109.8° | 109.5° |
| C4' | C5' | H5'A | 110.0° | 109.5° |
| C5' | C4' | C3' | 111.4° | 109.9° |
| C5' | C4' | O4' | 108.2° | 109.9° |
| C5' | C4' | H4' | 107.3° | 109.9° |
| H5' | C5' | H5'A | 108.8° | 109.5° |
| C3' | C4' | O4' | 103.6° | 107.3° |
| C3' | C4' | H4' | 111.6° | 110.0° |
| C4' | C3' | O3' | 112.1° | 110.5° |
| C4' | C3' | C2' | 104.2° | 104.2° |
| C4' | C3' | H3' | 112.7° | 110.5° |
| O4' | C4' | H4' | 114.7° | 109.9° |
| C4' | O4' | C1' | 101.1° | 107.0° |
| O4' | C1' | C2' | 103.2° | 103.5° |
| O4' | C1' | N9 | 114.1° | 110.6° |
| O4' | C1' | H1' | 111.4° | 110.6° |
| O3' | C3' | C2' | 113.3° | 110.5° |
| O3' | C3' | H3' | 103.4° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 111.4° | 110.5° |
| C3' | C2' | O2' | 111.6° | 110.9° |
| C3' | C2' | C1' | 102.5° | 102.1° |
| C3' | C2' | H2' | 114.8° | 110.9° |
| O2' | C2' | C1' | 115.1° | 110.9° |
| O2' | C2' | H2' | 102.1° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 111.2° | 110.9° |
| C2' | C1' | N9 | 111.6° | 110.7° |
| C2' | C1' | H1' | 114.0° | 110.6° |
| N9 | C1' | H1' | 103.0° | 110.7° |
| C1' | N9 | C8 | 124.9° | 126.3° |
| C1' | N9 | C4 | 128.0° | 126.3° |
| C8 | N9 | C4 | 107.1° | 107.5° |
| N9 | C8 | N7 | 109.7° | 110.0° |
| N9 | C8 | H8 | 125.2° | 125.1° |
| N9 | C4 | C5 | 107.1° | 106.0° |
| N9 | C4 | N3 | 134.3° | 134.9° |
| N7 | C8 | H8 | 125.1° | 125.0° |
| C8 | N7 | C5 | 108.2° | 109.4° |
| N7 | C5 | C4 | 108.0° | 107.2° |
| N7 | C5 | C6 | 131.7° | 134.7° |
| C4 | C5 | C6 | 120.3° | 118.2° |
| C5 | C4 | N3 | 118.6° | 119.1° |
| C5 | C6 | N1 | 117.4° | 118.5° |
| C5 | C6 | N6 | 120.7° | 120.8° |
| C4 | N3 | C2 | 120.4° | 120.7° |
| N3 | C2 | N1 | 121.1° | 122.4° |
| N3 | C2 | H2 | 119.5° | 118.8° |
| N1 | C2 | H2 | 119.4° | 118.8° |
| C2 | N1 | C6 | 122.0° | 121.2° |
| N1 | C6 | N6 | 121.8° | 120.7° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 120.1° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CB | HB | HBA | 120.0° | 120.0° |
| CG | CB | HB | HBB | 120.0° | 120.0° |
| CG | CB | HBA | HBB | 120.0° | 119.9° |
| CB | CG | SD | HG | 120.0° | 120.0° |
| CB | CG | SD | HGA | 119.5° | 120.0° |
| CB | CG | HG | HGA | 119.5° | 120.0° |
| CB | CG | SD | C5' | 140.2° | 180.0° |
| HB | CB | HBA | HBB | 120.0° | 120.1° |
| HB | CB | CG | SD | 41.7° | 60.0° |
| HB | CB | CG | HG | 78.3° | 60.0° |
| HB | CB | CG | HGA | 161.2° | 180.0° |
| HBA | CB | CG | SD | 78.3° | 60.1° |
| HBA | CB | CG | HG | 161.7° | 180.0° |
| HBA | CB | CG | HGA | 41.2° | 59.9° |
| HBB | CB | CG | SD | 161.7° | 180.0° |
| HBB | CB | CG | HG | 41.7° | 60.0° |
| HBB | CB | CG | HGA | 78.8° | 60.0° |
| SD | CG | HG | HGA | 119.5° | 120.0° |
| CG | SD | C5' | C4' | 157.4° | 180.0° |
| CG | SD | C5' | H5' | 82.6° | 60.0° |
| CG | SD | C5' | H5'A | 37.0° | 60.0° |
| HG | CG | SD | C5' | 99.7° | 60.0° |
| HGA | CG | SD | C5' | 20.7° | 60.0° |
| SD | C5' | C4' | H5' | 120.0° | 120.0° |
| SD | C5' | C4' | H5'A | 120.4° | 120.0° |
| SD | C5' | H5' | H5'A | 120.3° | 120.0° |
| SD | C5' | C4' | C3' | 179.7° | 175.7° |
| SD | C5' | C4' | O4' | 67.0° | 66.5° |
| SD | C5' | C4' | H4' | 57.2° | 54.6° |
| C4' | C5' | H5' | H5'A | 120.4° | 120.1° |
| C5' | C4' | C3' | O4' | 116.1° | 119.5° |
| C5' | C4' | C3' | H4' | 120.0° | 121.1° |
| C5' | C4' | O4' | H4' | 119.7° | 121.0° |
| C5' | C4' | O4' | C1' | 168.2° | 145.9° |
| C5' | C4' | C3' | O3' | 86.5° | 119.8° |
| C5' | C4' | C3' | C2' | 150.6° | 121.5° |
| C5' | C4' | C3' | H3' | 29.7° | 2.8° |
| H5' | C5' | C4' | C3' | 60.3° | 64.3° |
| H5' | C5' | C4' | O4' | 53.0° | 53.5° |
| H5' | C5' | C4' | H4' | 177.2° | 174.5° |
| H5'A | C5' | C4' | C3' | 59.4° | 55.7° |
| H5'A | C5' | C4' | O4' | 172.6° | 173.6° |
| H5'A | C5' | C4' | H4' | 63.1° | 65.4° |
| C3' | C4' | O4' | H4' | 121.9° | 119.6° |
| C3' | C4' | O4' | C1' | 49.9° | 26.5° |
| C4' | C3' | O3' | C2' | 117.6° | 114.8° |
| C4' | C3' | O3' | H3' | 121.6° | 122.6° |
| C4' | C3' | C2' | H3' | 121.8° | 118.7° |
| C4' | C3' | O3' | HO3' | 51.2° | 180.0° |
| C4' | C3' | C2' | O2' | 118.8° | 139.1° |
| C4' | C3' | C2' | C1' | 4.9° | 20.9° |
| C4' | C3' | C2' | H2' | 125.6° | 97.3° |
| O4' | C4' | C3' | O3' | 157.4° | 120.7° |
| O4' | C4' | C3' | C2' | 34.5° | 2.0° |
| O4' | C4' | C3' | H3' | 86.4° | 116.7° |
| C4' | O4' | C1' | C2' | 46.4° | 40.0° |
| C4' | O4' | C1' | N9 | 167.6° | 158.6° |
| C4' | O4' | C1' | H1' | 76.3° | 78.5° |
| H4' | C4' | O4' | C1' | 72.1° | 93.1° |
| H4' | C4' | C3' | O3' | 33.5° | 1.2° |
| H4' | C4' | C3' | C2' | 89.4° | 117.5° |
| H4' | C4' | C3' | H3' | 149.7° | 123.8° |
| O4' | C1' | C2' | C3' | 23.8° | 37.0° |
| O4' | C1' | C2' | O2' | 145.1° | 155.2° |
| O4' | C1' | C2' | N9 | 122.9° | 118.5° |
| O4' | C1' | C2' | H1' | 120.9° | 118.4° |
| O4' | C1' | C2' | H2' | 99.3° | 81.2° |
| O4' | C1' | N9 | H1' | 120.9° | 122.9° |
| O4' | C1' | N9 | C8 | 72.5° | 23.9° |
| O4' | C1' | N9 | C4 | 110.3° | 156.5° |
| O3' | C3' | C2' | H3' | 116.1° | 122.6° |
| O3' | C3' | C2' | O2' | 3.4° | 20.4° |
| O3' | C3' | C2' | C1' | 127.1° | 97.9° |
| O3' | C3' | C2' | H2' | 112.2° | 144.0° |
| C2' | C3' | O3' | HO3' | 66.4° | 65.1° |
| C3' | C2' | O2' | C1' | 116.2° | 112.7° |
| C3' | C2' | O2' | H2' | 123.1° | 123.6° |
| C3' | C2' | C1' | H2' | 123.2° | 118.2° |
| C3' | C2' | O2' | HO2' | 131.6° | 61.5° |
| C3' | C2' | C1' | N9 | 146.8° | 155.5° |
| C3' | C2' | C1' | H1' | 97.1° | 81.5° |
| H3' | C3' | O3' | HO3' | 172.8° | 57.4° |
| H3' | C3' | C2' | O2' | 119.5° | 102.2° |
| H3' | C3' | C2' | C1' | 116.8° | 139.6° |
| H3' | C3' | C2' | H2' | 3.9° | 21.4° |
| O2' | C2' | C1' | H2' | 115.5° | 123.6° |
| O2' | C2' | C1' | N9 | 91.9° | 86.3° |
| O2' | C2' | C1' | H1' | 24.2° | 36.7° |
| C1' | C2' | O2' | HO2' | 15.4° | 174.2° |
| C2' | C1' | N9 | H1' | 122.7° | 123.0° |
| C2' | C1' | N9 | C8 | 43.9° | 90.2° |
| C2' | C1' | N9 | C4 | 133.3° | 89.4° |
| H2' | C2' | O2' | HO2' | 105.2° | 62.1° |
| H2' | C2' | C1' | N9 | 23.6° | 37.4° |
| H2' | C2' | C1' | H1' | 139.8° | 160.4° |
| C1' | N9 | C8 | C4 | 177.7° | 179.7° |
| C1' | N9 | C8 | N7 | 178.3° | 180.0° |
| C1' | N9 | C8 | H8 | 1.7° | 0.1° |
| C1' | N9 | C4 | C5 | 178.4° | 179.9° |
| C1' | N9 | C4 | N3 | 2.1° | 0.0° |
| H1' | C1' | N9 | C8 | 166.6° | 146.8° |
| H1' | C1' | N9 | C4 | 10.6° | 33.6° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.2° | 0.0° |
| C8 | N9 | C4 | C5 | 0.8° | 0.4° |
| C8 | N9 | C4 | N3 | 179.7° | 179.7° |
| C4 | N9 | C8 | N7 | 0.6° | 0.3° |
| C4 | N9 | C8 | H8 | 179.4° | 179.8° |
| N9 | C4 | C5 | N7 | 0.7° | 0.4° |
| N9 | C4 | C5 | N3 | 179.6° | 179.9° |
| N9 | C4 | C5 | C6 | 179.8° | 179.8° |
| N9 | C4 | N3 | C2 | 178.4° | 180.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.2° |
| C8 | N7 | C5 | C6 | 179.3° | 180.0° |
| H8 | C8 | N7 | C5 | 179.8° | 179.9° |
| N7 | C5 | C4 | C6 | 179.1° | 179.8° |
| N7 | C5 | C4 | N3 | 179.7° | 179.7° |
| N7 | C5 | C6 | N1 | 178.6° | 179.3° |
| N7 | C5 | C6 | N6 | 2.4° | 0.1° |
| C5 | C4 | N3 | C2 | 1.1° | 0.1° |
| C4 | C5 | C6 | N1 | 2.6° | 0.4° |
| C4 | C5 | C6 | N6 | 178.8° | 179.8° |
| C6 | C5 | C4 | N3 | 0.6° | 0.1° |
| C5 | C6 | N1 | C2 | 3.0° | 0.5° |
| C5 | C6 | N1 | N6 | 176.1° | 179.4° |
| C5 | C6 | N6 | HN6 | 7.9° | 0.1° |
| C5 | C6 | N6 | HN6A | 127.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.7° | 0.0° |
| C4 | N3 | C2 | H2 | 179.2° | 180.0° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 1.4° | 0.4° |
| C2 | N1 | C6 | N6 | 179.1° | 179.9° |
| H2 | C2 | N1 | C6 | 178.6° | 179.7° |
| N1 | C6 | N6 | HN6 | 176.1° | 179.3° |
| N1 | C6 | N6 | HN6A | 56.1° | 0.7° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
