AIS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.36Å | 1.33Å | Aromatic |
| N1 | C5 | sing | 1.37Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.30Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.34Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.33Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | N6 | sing | 1.40Å | 1.33Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | O2' | H1 | 111.8° | 106.8° |
| O2' | C2' | C3' | 111.8° | 110.5° |
| O2' | C2' | C1' | 112.4° | 110.8° |
| O2' | C2' | H2' | 103.9° | 110.5° |
| C3' | C2' | C1' | 102.4° | 104.0° |
| C3' | C2' | H2' | 113.7° | 110.5° |
| C2' | C3' | O3' | 109.2° | 110.5° |
| C2' | C3' | C4' | 103.4° | 104.1° |
| C2' | C3' | H3' | 113.8° | 110.6° |
| C1' | C2' | H2' | 113.0° | 110.4° |
| C2' | C1' | O4' | 101.0° | 104.9° |
| C2' | C1' | N1 | 113.6° | 110.4° |
| C2' | C1' | H1' | 114.1° | 110.4° |
| O3' | C3' | C4' | 110.2° | 110.5° |
| O3' | C3' | H3' | 107.4° | 110.5° |
| C3' | O3' | H3 | 109.1° | 106.8° |
| C4' | C3' | H3' | 112.9° | 110.5° |
| C3' | C4' | C5' | 110.3° | 110.4° |
| C3' | C4' | O4' | 103.7° | 104.8° |
| C3' | C4' | H4' | 112.8° | 110.4° |
| C5' | C4' | O4' | 109.9° | 110.4° |
| C5' | C4' | H4' | 107.0° | 110.3° |
| C4' | C5' | O5' | 109.9° | 109.5° |
| C4' | C5' | H5'1 | 112.1° | 109.5° |
| C4' | C5' | H5'2 | 112.1° | 109.5° |
| O4' | C4' | H4' | 113.2° | 110.4° |
| C4' | O4' | C1' | 101.8° | 105.3° |
| O5' | C5' | H5'1 | 112.0° | 109.5° |
| O5' | C5' | H5'2 | 112.1° | 109.5° |
| C5' | O5' | H5' | 109.9° | 106.8° |
| H5'1 | C5' | H5'2 | 98.4° | 109.5° |
| O4' | C1' | N1 | 113.9° | 110.3° |
| O4' | C1' | H1' | 113.7° | 110.4° |
| N1 | C1' | H1' | 101.1° | 110.4° |
| C1' | N1 | C2 | 126.5° | 126.5° |
| C1' | N1 | C5 | 127.1° | 126.4° |
| C2 | N1 | C5 | 106.4° | 107.1° |
| N1 | C2 | N3 | 108.6° | 108.7° |
| N1 | C2 | H2 | 125.7° | 125.6° |
| N1 | C5 | C4 | 110.0° | 106.7° |
| N1 | C5 | N6 | 125.4° | 126.6° |
| N3 | C2 | H2 | 125.7° | 125.7° |
| C2 | N3 | C4 | 108.5° | 109.4° |
| N3 | C4 | C5 | 106.5° | 108.1° |
| N3 | C4 | H4 | 126.8° | 126.0° |
| C5 | C4 | H4 | 126.7° | 125.9° |
| C4 | C5 | N6 | 124.6° | 126.7° |
| C5 | N6 | HN61 | 106.6° | 119.9° |
| C5 | N6 | HN62 | 125.4° | 120.0° |
| HN61 | N6 | HN62 | 106.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C3' | C1' | 120.6° | 118.9° |
| O2' | C2' | C3' | H2' | 117.2° | 122.6° |
| O2' | C2' | C1' | H2' | 117.2° | 122.7° |
| O2' | C2' | C3' | O3' | 13.8° | 0.1° |
| O2' | C2' | C3' | C4' | 131.0° | 118.8° |
| O2' | C2' | C3' | H3' | 106.2° | 122.6° |
| O2' | C2' | C1' | O4' | 158.4° | 142.6° |
| O2' | C2' | C1' | N1 | 79.2° | 98.6° |
| O2' | C2' | C1' | H1' | 36.0° | 23.7° |
| H1 | O2' | C2' | C3' | 180.0° | 61.5° |
| H1 | O2' | C2' | C1' | 65.5° | 176.2° |
| H1 | O2' | C2' | H2' | 57.0° | 61.2° |
| C3' | C2' | C1' | H2' | 122.7° | 118.6° |
| C2' | C3' | O3' | C4' | 112.8° | 114.6° |
| C2' | C3' | O3' | H3' | 123.8° | 122.8° |
| C2' | C3' | C4' | H3' | 123.4° | 118.8° |
| C2' | C3' | O3' | H3 | 180.0° | 176.2° |
| C2' | C3' | C4' | C5' | 138.4° | 143.0° |
| C2' | C3' | C4' | O4' | 20.8° | 24.1° |
| C2' | C3' | C4' | H4' | 102.0° | 94.8° |
| C3' | C2' | C1' | O4' | 38.3° | 23.8° |
| C3' | C2' | C1' | N1 | 160.7° | 142.7° |
| C3' | C2' | C1' | H1' | 84.1° | 95.0° |
| C1' | C2' | C3' | O3' | 106.7° | 118.8° |
| C1' | C2' | C3' | C4' | 10.5° | 0.1° |
| C1' | C2' | C3' | H3' | 133.3° | 118.5° |
| C2' | C1' | O4' | C4' | 53.0° | 40.5° |
| C2' | C1' | O4' | N1 | 122.2° | 118.9° |
| C2' | C1' | O4' | H1' | 122.6° | 118.9° |
| C2' | C1' | N1 | H1' | 122.6° | 122.3° |
| C2' | C1' | N1 | C2 | 84.6° | 93.5° |
| C2' | C1' | N1 | C5 | 96.8° | 86.1° |
| H2' | C2' | C3' | O3' | 131.0° | 122.7° |
| H2' | C2' | C3' | C4' | 111.8° | 118.7° |
| H2' | C2' | C3' | H3' | 11.0° | 0.0° |
| H2' | C2' | C1' | O4' | 84.4° | 94.7° |
| H2' | C2' | C1' | N1 | 38.0° | 24.1° |
| H2' | C2' | C1' | H1' | 153.2° | 146.4° |
| O3' | C3' | C4' | H3' | 120.1° | 122.6° |
| O3' | C3' | C4' | C5' | 105.1° | 98.3° |
| O3' | C3' | C4' | O4' | 137.3° | 142.8° |
| O3' | C3' | C4' | H4' | 14.5° | 23.9° |
| C4' | C3' | O3' | H3 | 67.2° | 61.5° |
| C3' | C4' | C5' | O4' | 113.7° | 115.4° |
| C3' | C4' | C5' | H4' | 123.1° | 122.3° |
| C3' | C4' | O4' | H4' | 122.6° | 118.8° |
| C3' | C4' | C5' | O5' | 179.3° | 178.1° |
| C3' | C4' | C5' | H5'1 | 55.4° | 58.1° |
| C3' | C4' | C5' | H5'2 | 54.1° | 61.9° |
| C3' | C4' | O4' | C1' | 46.3° | 40.5° |
| H3' | C3' | O3' | H3 | 56.1° | 61.1° |
| H3' | C3' | C4' | C5' | 15.0° | 24.2° |
| H3' | C3' | C4' | O4' | 102.6° | 94.7° |
| H3' | C3' | C4' | H4' | 134.6° | 146.5° |
| C5' | C4' | O4' | H4' | 119.5° | 122.3° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 118.0° | 120.0° |
| C4' | C5' | O5' | H5' | 180.0° | 180.0° |
| C5' | C4' | O4' | C1' | 164.2° | 159.5° |
| O4' | C4' | C5' | O5' | 66.9° | 66.4° |
| O4' | C4' | C5' | H5'1 | 58.3° | 173.5° |
| O4' | C4' | C5' | H5'2 | 167.8° | 53.6° |
| C4' | O4' | C1' | N1 | 175.2° | 159.3° |
| C4' | O4' | C1' | H1' | 69.6° | 78.4° |
| H4' | C4' | C5' | O5' | 56.3° | 55.9° |
| H4' | C4' | C5' | H5'1 | 178.5° | 64.2° |
| H4' | C4' | C5' | H5'2 | 69.0° | 175.8° |
| H4' | C4' | O4' | C1' | 76.3° | 78.3° |
| O5' | C5' | H5'1 | H5'2 | 118.0° | 120.0° |
| H5'1 | C5' | O5' | H5' | 54.7° | 60.0° |
| H5'2 | C5' | O5' | H5' | 54.8° | 60.0° |
| O4' | C1' | N1 | H1' | 122.4° | 122.3° |
| O4' | C1' | N1 | C2 | 30.4° | 22.0° |
| O4' | C1' | N1 | C5 | 148.3° | 158.4° |
| C1' | N1 | C2 | C5 | 178.9° | 179.7° |
| C1' | N1 | C2 | N3 | 178.8° | 179.9° |
| C1' | N1 | C2 | H2 | 1.2° | 0.3° |
| C1' | N1 | C5 | C4 | 178.8° | 180.0° |
| C1' | N1 | C5 | N6 | 0.9° | 0.3° |
| H1' | C1' | N1 | C2 | 152.8° | 144.3° |
| H1' | C1' | N1 | C5 | 25.9° | 36.2° |
| N1 | C2 | N3 | H2 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.1° | 0.3° |
| C2 | N1 | C5 | C4 | 0.1° | 0.3° |
| C2 | N1 | C5 | N6 | 179.7° | 179.9° |
| C5 | N1 | C2 | N3 | 0.1° | 0.4° |
| C5 | N1 | C2 | H2 | 179.9° | 179.9° |
| N1 | C5 | C4 | N3 | 0.0° | 0.2° |
| N1 | C5 | C4 | N6 | 179.7° | 179.7° |
| N1 | C5 | C4 | H4 | 179.9° | 179.8° |
| N1 | C5 | N6 | HN61 | 54.8° | 179.7° |
| N1 | C5 | N6 | HN62 | 180.0° | 0.6° |
| C2 | N3 | C4 | C5 | 0.0° | 0.1° |
| C2 | N3 | C4 | H4 | 180.0° | 180.0° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C4 | C5 | H4 | 180.0° | 179.9° |
| N3 | C4 | C5 | N6 | 179.7° | 179.9° |
| C4 | C5 | N6 | HN61 | 124.8° | 0.0° |
| C4 | C5 | N6 | HN62 | 0.4° | 179.7° |
| H4 | C4 | C5 | N6 | 0.3° | 0.0° |
| C5 | N6 | HN61 | HN62 | 136.0° | 179.7° |
