SAO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.56Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | SD | sing | 1.81Å | 1.81Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| SD | CG | sing | 1.81Å | 1.82Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | C5 | 124.1° | 120.8° |
| N6 | C6 | N1 | 118.7° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C5 | C6 | N1 | 117.2° | 118.4° |
| C6 | C5 | N7 | 131.2° | 134.6° |
| C6 | C5 | C4 | 116.9° | 118.2° |
| C6 | N1 | C2 | 118.9° | 121.2° |
| C5 | N7 | C8 | 102.2° | 109.4° |
| N7 | C5 | C4 | 111.9° | 107.2° |
| N7 | C8 | N9 | 115.1° | 110.0° |
| N7 | C8 | H8 | 122.5° | 125.0° |
| C5 | C4 | N9 | 105.3° | 106.0° |
| C5 | C4 | N3 | 127.3° | 119.1° |
| N1 | C2 | N3 | 128.9° | 122.5° |
| N1 | C2 | H2 | 115.6° | 118.8° |
| C8 | N9 | C4 | 105.4° | 107.4° |
| C8 | N9 | C1' | 127.5° | 126.3° |
| N9 | C8 | H8 | 122.4° | 125.0° |
| N9 | C4 | N3 | 127.4° | 134.9° |
| C4 | N9 | C1' | 127.1° | 126.3° |
| C4 | N3 | C2 | 110.8° | 120.7° |
| N3 | C2 | H2 | 115.5° | 118.8° |
| N9 | C1' | C2' | 114.7° | 110.6° |
| N9 | C1' | O4' | 108.6° | 110.7° |
| N9 | C1' | H1' | 109.5° | 110.7° |
| C2' | C1' | O4' | 105.1° | 103.4° |
| C1' | C2' | O2' | 111.6° | 110.9° |
| C1' | C2' | C3' | 101.3° | 102.1° |
| C1' | C2' | H2' | 109.8° | 110.9° |
| C2' | C1' | H1' | 108.6° | 110.6° |
| C1' | O4' | C4' | 108.9° | 107.0° |
| O4' | C1' | H1' | 110.2° | 110.6° |
| O2' | C2' | C3' | 112.6° | 110.9° |
| O2' | C2' | H2' | 111.3° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.7° | 104.2° |
| C2' | C3' | O3' | 111.3° | 110.5° |
| C2' | C3' | H3' | 109.6° | 110.6° |
| C3' | C2' | H2' | 109.7° | 111.0° |
| O4' | C4' | C5' | 107.3° | 109.9° |
| O4' | C4' | C3' | 106.6° | 107.4° |
| O4' | C4' | H4' | 109.9° | 109.8° |
| C4' | C5' | SD | 111.8° | 109.5° |
| C5' | C4' | C3' | 115.4° | 109.9° |
| C4' | C5' | H5'2 | 108.9° | 109.5° |
| C4' | C5' | H5'1 | 108.9° | 109.5° |
| C5' | C4' | H4' | 108.9° | 109.9° |
| C5' | SD | CG | 104.4° | 103.0° |
| SD | C5' | H5'2 | 108.9° | 109.5° |
| SD | C5' | H5'1 | 108.9° | 109.4° |
| C4' | C3' | O3' | 111.4° | 110.5° |
| C3' | C4' | H4' | 108.7° | 109.9° |
| C4' | C3' | H3' | 109.5° | 110.4° |
| O3' | C3' | H3' | 111.2° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| SD | CG | CB | 105.0° | 109.5° |
| SD | CG | HG2 | 110.6° | 109.5° |
| SD | CG | HG1 | 110.6° | 109.5° |
| CG | CB | CA | 114.6° | 109.5° |
| CG | CB | HB1 | 108.2° | 109.5° |
| CG | CB | HB2 | 108.2° | 109.5° |
| CB | CG | HG2 | 110.6° | 109.5° |
| CB | CG | HG1 | 110.6° | 109.5° |
| CB | CA | N | 111.3° | 109.5° |
| CB | CA | C | 112.4° | 109.5° |
| CB | CA | HA | 107.6° | 109.5° |
| CA | CB | HB1 | 108.2° | 109.5° |
| CA | CB | HB2 | 108.2° | 109.5° |
| N | CA | C | 109.6° | 109.4° |
| CA | N | HN2 | 109.5° | 109.5° |
| CA | N | H3 | 109.5° | 109.5° |
| CA | N | HN1 | 109.4° | 109.5° |
| N | CA | HA | 108.1° | 109.5° |
| CA | C | O | 117.6° | 120.0° |
| CA | C | OXT | 116.7° | 120.0° |
| C | CA | HA | 107.6° | 109.5° |
| O | C | OXT | 125.7° | 120.0° |
| C | OXT | H1 | 109.5° | 117.0° |
| HN2 | N | H3 | 109.5° | 109.4° |
| HN2 | N | HN1 | 109.5° | 109.4° |
| H3 | N | HN1 | 109.5° | 109.5° |
| HB1 | CB | HB2 | 109.5° | 109.4° |
| HG2 | CG | HG1 | 109.5° | 109.4° |
| H5'2 | C5' | H5'1 | 109.5° | 109.5° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | C5 | N1 | 178.9° | 180.0° |
| N6 | C6 | C5 | N7 | 0.8° | 0.0° |
| N6 | C6 | C5 | C4 | 178.6° | 179.7° |
| N6 | C6 | N1 | C2 | 178.7° | 180.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| C6 | C5 | N7 | C4 | 179.4° | 179.8° |
| C6 | C5 | N7 | C8 | 179.2° | 180.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | N9 | 179.4° | 179.8° |
| C6 | C5 | C4 | N3 | 0.2° | 0.5° |
| C5 | C6 | N6 | HN61 | 178.8° | 0.0° |
| C5 | C6 | N6 | HN62 | 61.2° | 180.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.2° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 179.9° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| N7 | C5 | C4 | N9 | 0.1° | 0.3° |
| N7 | C5 | C4 | N3 | 179.7° | 179.7° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.2° | 0.2° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C4 | 0.2° | 0.2° |
| N7 | C8 | N9 | C1' | 179.2° | 180.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.3° |
| C5 | C4 | N9 | N3 | 179.7° | 179.2° |
| C5 | C4 | N3 | C2 | 0.0° | 0.5° |
| C5 | C4 | N9 | C1' | 179.3° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.3° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| C8 | N9 | C4 | C1' | 179.4° | 179.8° |
| C8 | N9 | C4 | N3 | 179.6° | 179.5° |
| C8 | N9 | C1' | C2' | 47.1° | 95.0° |
| C8 | N9 | C1' | O4' | 70.0° | 19.1° |
| C8 | N9 | C1' | H1' | 169.6° | 142.1° |
| N9 | C4 | N3 | C2 | 179.6° | 179.6° |
| C4 | N9 | C1' | C2' | 133.6° | 84.8° |
| C4 | N9 | C1' | O4' | 109.2° | 161.2° |
| C4 | N9 | C1' | H1' | 11.2° | 38.2° |
| C4 | N9 | C8 | H8 | 179.8° | 179.8° |
| N3 | C4 | N9 | C1' | 1.0° | 0.7° |
| C4 | N3 | C2 | H2 | 179.9° | 179.7° |
| N9 | C1' | C2' | O4' | 119.1° | 118.6° |
| N9 | C1' | C2' | H1' | 122.9° | 123.0° |
| N9 | C1' | O4' | H1' | 120.0° | 123.1° |
| N9 | C1' | C2' | O2' | 82.4° | 86.3° |
| N9 | C1' | C2' | C3' | 157.6° | 155.5° |
| N9 | C1' | O4' | C4' | 156.2° | 158.4° |
| N9 | C1' | C2' | H2' | 41.6° | 37.3° |
| C1' | N9 | C8 | H8 | 0.8° | 0.0° |
| C2' | C1' | O4' | H1' | 116.9° | 118.4° |
| C1' | C2' | O2' | C3' | 113.2° | 112.7° |
| C1' | C2' | O2' | H2' | 123.1° | 123.6° |
| C1' | C2' | C3' | H2' | 116.1° | 118.2° |
| C2' | C1' | O4' | C4' | 33.0° | 39.9° |
| C1' | C2' | C3' | C4' | 29.2° | 20.9° |
| C1' | C2' | C3' | O3' | 90.7° | 97.8° |
| C1' | C2' | C3' | H3' | 146.0° | 139.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 174.2° |
| O4' | C1' | C2' | O2' | 158.5° | 155.1° |
| O4' | C1' | C2' | C3' | 38.4° | 36.9° |
| C1' | O4' | C4' | C5' | 137.6° | 145.9° |
| C1' | O4' | C4' | C3' | 13.5° | 26.4° |
| C1' | O4' | C4' | H4' | 104.1° | 93.1° |
| O4' | C1' | C2' | H2' | 77.5° | 81.3° |
| O2' | C2' | C3' | H2' | 124.6° | 123.6° |
| O2' | C2' | C3' | C4' | 148.6° | 139.1° |
| O2' | C2' | C3' | O3' | 28.7° | 20.4° |
| O2' | C2' | C3' | H3' | 94.6° | 102.2° |
| O2' | C2' | C1' | H1' | 40.5° | 36.7° |
| C2' | C3' | C4' | O4' | 11.2° | 1.9° |
| C2' | C3' | C4' | C5' | 107.8° | 121.4° |
| C2' | C3' | C4' | O3' | 119.8° | 118.7° |
| C2' | C3' | C4' | H3' | 116.9° | 118.8° |
| C2' | C3' | O3' | H3' | 122.4° | 122.7° |
| C2' | C3' | C4' | H4' | 129.6° | 117.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.3° |
| C3' | C2' | O2' | HO2' | 66.9° | 61.5° |
| C3' | C2' | C1' | H1' | 79.5° | 81.4° |
| O4' | C4' | C5' | C3' | 118.5° | 118.0° |
| O4' | C4' | C5' | H4' | 119.0° | 121.0° |
| O4' | C4' | C5' | SD | 163.5° | 66.7° |
| O4' | C4' | C3' | H4' | 118.4° | 119.5° |
| O4' | C4' | C3' | O3' | 108.6° | 120.6° |
| O4' | C4' | C5' | H5'2 | 76.2° | 53.3° |
| O4' | C4' | C5' | H5'1 | 43.2° | 173.3° |
| O4' | C4' | C3' | H3' | 128.0° | 116.9° |
| C4' | O4' | C1' | H1' | 83.9° | 78.5° |
| C4' | C5' | SD | H5'2 | 120.3° | 120.1° |
| C4' | C5' | SD | H5'1 | 120.4° | 120.0° |
| C5' | C4' | C3' | H4' | 122.6° | 121.0° |
| C5' | C4' | C3' | O3' | 132.5° | 119.9° |
| C4' | C5' | SD | CG | 75.0° | 180.0° |
| C4' | C5' | H5'2 | H5'1 | 118.9° | 120.0° |
| C5' | C4' | C3' | H3' | 9.1° | 2.6° |
| SD | C5' | C4' | C3' | 78.0° | 175.3° |
| C5' | SD | CG | CB | 105.6° | 180.0° |
| C5' | SD | CG | HG2 | 135.1° | 60.0° |
| C5' | SD | CG | HG1 | 13.7° | 60.0° |
| SD | C5' | H5'2 | H5'1 | 118.9° | 120.0° |
| SD | C5' | C4' | H4' | 44.5° | 54.3° |
| C4' | C3' | O3' | H3' | 122.4° | 122.5° |
| C3' | C4' | C5' | H5'2 | 42.4° | 64.7° |
| C3' | C4' | C5' | H5'1 | 161.7° | 55.4° |
| C4' | C3' | O3' | HO3' | 64.9° | 180.0° |
| C4' | C3' | C2' | H2' | 86.9° | 97.3° |
| O3' | C3' | C4' | H4' | 9.8° | 1.2° |
| O3' | C3' | C2' | H2' | 153.3° | 144.0° |
| SD | CG | CB | HG2 | 119.3° | 120.0° |
| SD | CG | CB | HG1 | 119.3° | 120.0° |
| SD | CG | CB | CA | 165.0° | 180.0° |
| SD | CG | CB | HB1 | 74.3° | 60.0° |
| SD | CG | CB | HB2 | 44.2° | 60.0° |
| SD | CG | HG2 | HG1 | 122.0° | 120.0° |
| CG | SD | C5' | H5'2 | 164.7° | 60.0° |
| CG | SD | C5' | H5'1 | 45.4° | 60.0° |
| CG | CB | CA | HB1 | 120.7° | 120.0° |
| CG | CB | CA | HB2 | 120.8° | 120.0° |
| CG | CB | CA | N | 64.2° | 65.0° |
| CG | CB | CA | C | 59.1° | 175.0° |
| CG | CB | CA | HA | 177.4° | 55.0° |
| CG | CB | HB1 | HB2 | 117.7° | 120.0° |
| CB | CG | HG2 | HG1 | 122.1° | 120.0° |
| CB | CA | N | C | 124.9° | 120.0° |
| CB | CA | N | HA | 118.0° | 120.0° |
| CB | CA | C | HA | 118.4° | 120.0° |
| CB | CA | C | O | 85.6° | 100.0° |
| CB | CA | C | OXT | 95.2° | 80.0° |
| CB | CA | N | HN2 | 180.0° | 60.0° |
| CB | CA | N | H3 | 60.0° | 60.0° |
| CB | CA | N | HN1 | 60.0° | 180.0° |
| CA | CB | HB1 | HB2 | 117.7° | 120.0° |
| CA | CB | CG | HG2 | 45.7° | 60.0° |
| CA | CB | CG | HG1 | 75.7° | 60.0° |
| N | CA | C | HA | 117.4° | 120.0° |
| N | CA | C | O | 38.7° | 20.0° |
| N | CA | C | OXT | 140.5° | 160.0° |
| CA | N | HN2 | H3 | 120.0° | 120.0° |
| CA | N | HN2 | HN1 | 120.0° | 120.0° |
| CA | N | H3 | HN1 | 120.0° | 120.1° |
| N | CA | CB | HB1 | 56.5° | 55.0° |
| N | CA | CB | HB2 | 175.0° | 175.0° |
| CA | C | O | OXT | 179.1° | 179.9° |
| C | CA | N | HN2 | 55.1° | 60.0° |
| C | CA | N | H3 | 64.9° | 180.0° |
| C | CA | N | HN1 | 175.1° | 60.0° |
| C | CA | CB | HB1 | 179.8° | 65.0° |
| C | CA | CB | HB2 | 61.7° | 55.0° |
| CA | C | OXT | H1 | 179.1° | 180.0° |
| O | C | CA | HA | 156.1° | 140.0° |
| O | C | OXT | H1 | 0.0° | 0.1° |
| OXT | C | CA | HA | 23.1° | 40.1° |
| HN2 | N | H3 | HN1 | 120.0° | 119.9° |
| HN2 | N | CA | HA | 61.9° | 180.0° |
| H3 | N | CA | HA | 178.0° | 60.0° |
| HN1 | N | CA | HA | 58.1° | 60.0° |
| HA | CA | CB | HB1 | 61.8° | 175.0° |
| HA | CA | CB | HB2 | 56.7° | 65.0° |
| HB1 | CB | CG | HG2 | 166.5° | 180.0° |
| HB1 | CB | CG | HG1 | 45.0° | 60.1° |
| HB2 | CB | CG | HG2 | 75.0° | 60.1° |
| HB2 | CB | CG | HG1 | 163.5° | 180.0° |
| H5'2 | C5' | C4' | H4' | 164.9° | 174.3° |
| H5'1 | C5' | C4' | H4' | 75.8° | 65.7° |
| H4' | C4' | C3' | H3' | 113.5° | 123.6° |
| H3' | C3' | O3' | HO3' | 57.6° | 57.5° |
| H3' | C3' | C2' | H2' | 30.0° | 21.4° |
| H2' | C2' | O2' | HO2' | 56.8° | 62.2° |
| H2' | C2' | C1' | H1' | 164.5° | 160.3° |
