5AD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.31Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.45Å | |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.32Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C1' | C2' | sing | 1.54Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C5' | H5'3 | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 117.7° | 121.2° |
| N1 | C2 | N3 | 133.7° | 122.5° |
| N1 | C2 | H2 | 114.1° | 118.8° |
| N1 | C6 | C5 | 116.7° | 118.5° |
| N1 | C6 | N6 | 117.7° | 120.8° |
| N3 | C2 | H2 | 112.1° | 118.7° |
| C2 | N3 | C4 | 105.3° | 120.6° |
| N3 | C4 | N9 | 124.1° | 134.9° |
| N3 | C4 | C5 | 130.7° | 119.0° |
| N9 | C4 | C5 | 105.2° | 106.0° |
| C4 | N9 | C8 | 107.7° | 107.5° |
| C4 | N9 | C1' | 122.6° | 126.3° |
| C4 | C5 | N7 | 110.3° | 107.1° |
| C4 | C5 | C6 | 115.8° | 118.2° |
| C8 | N9 | C1' | 129.7° | 126.2° |
| N9 | C8 | N7 | 111.9° | 109.9° |
| N9 | C8 | H8 | 125.8° | 125.1° |
| N9 | C1' | C2' | 112.6° | 110.0° |
| N9 | C1' | O4' | 103.8° | 109.9° |
| N9 | C1' | H1' | 109.6° | 109.9° |
| N7 | C8 | H8 | 122.3° | 125.0° |
| C8 | N7 | C5 | 105.0° | 109.5° |
| N7 | C5 | C6 | 133.9° | 134.7° |
| C5 | C6 | N6 | 125.6° | 120.8° |
| C6 | N6 | HN61 | 117.7° | 120.0° |
| C6 | N6 | HN62 | 109.2° | 120.0° |
| HN61 | N6 | HN62 | 109.2° | 120.0° |
| C2' | C1' | O4' | 104.2° | 107.3° |
| C2' | C1' | H1' | 109.2° | 109.9° |
| C1' | C2' | C3' | 103.4° | 104.3° |
| C1' | C2' | O2' | 109.7° | 110.5° |
| C1' | C2' | H2' | 114.2° | 110.4° |
| O4' | C1' | H1' | 117.3° | 109.9° |
| C1' | O4' | C4' | 105.4° | 107.0° |
| C3' | C2' | O2' | 112.3° | 110.5° |
| C3' | C2' | H2' | 111.7° | 110.6° |
| C2' | C3' | C4' | 104.6° | 102.0° |
| C2' | C3' | O3' | 112.8° | 110.9° |
| C2' | C3' | H3' | 110.5° | 110.9° |
| O2' | C2' | H2' | 105.7° | 110.4° |
| C2' | O2' | HO2' | 109.7° | 106.8° |
| C4' | C3' | O3' | 109.2° | 111.1° |
| C4' | C3' | H3' | 114.0° | 110.9° |
| C3' | C4' | C5' | 110.6° | 110.6° |
| C3' | C4' | O4' | 105.7° | 103.6° |
| C3' | C4' | H4' | 112.1° | 110.6° |
| O3' | C3' | H3' | 106.0° | 110.8° |
| C3' | O3' | HO3' | 112.8° | 106.8° |
| C5' | C4' | O4' | 111.9° | 110.6° |
| C5' | C4' | H4' | 105.9° | 110.5° |
| C4' | C5' | H5'1 | 110.6° | 109.5° |
| C4' | C5' | H5'2 | 111.7° | 109.5° |
| C4' | C5' | H5'3 | 111.8° | 109.5° |
| O4' | C4' | H4' | 110.8° | 110.7° |
| H5'1 | C5' | H5'2 | 111.9° | 109.6° |
| H5'1 | C5' | H5'3 | 111.8° | 109.4° |
| H5'2 | C5' | H5'3 | 98.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.3° |
| C2 | N1 | C6 | C5 | 0.6° | 0.1° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| C6 | N1 | C2 | H2 | 179.4° | 179.9° |
| N1 | C6 | C5 | C4 | 0.4° | 0.2° |
| N1 | C6 | C5 | N7 | 179.5° | 180.0° |
| N1 | C6 | C5 | N6 | 179.4° | 179.9° |
| N1 | C6 | N6 | HN61 | 180.0° | 0.0° |
| N1 | C6 | N6 | HN62 | 54.8° | 179.9° |
| C2 | N3 | C4 | N9 | 179.9° | 179.6° |
| C2 | N3 | C4 | C5 | 0.1° | 0.6° |
| H2 | C2 | N3 | C4 | 179.7° | 179.7° |
| N3 | C4 | N9 | C5 | 179.8° | 179.1° |
| N3 | C4 | N9 | C8 | 179.9° | 179.4° |
| N3 | C4 | N9 | C1' | 0.8° | 0.8° |
| N3 | C4 | C5 | N7 | 179.7° | 179.6° |
| N3 | C4 | C5 | C6 | 0.2° | 0.5° |
| C4 | N9 | C8 | C1' | 179.2° | 179.8° |
| C4 | N9 | C8 | N7 | 0.1° | 0.2° |
| C4 | N9 | C8 | H8 | 179.8° | 179.7° |
| N9 | C4 | C5 | N7 | 0.1° | 0.4° |
| N9 | C4 | C5 | C6 | 179.9° | 179.8° |
| C4 | N9 | C1' | C2' | 123.5° | 90.3° |
| C4 | N9 | C1' | O4' | 124.4° | 151.7° |
| C4 | N9 | C1' | H1' | 1.7° | 30.7° |
| C5 | C4 | N9 | C8 | 0.0° | 0.4° |
| C5 | C4 | N9 | C1' | 179.3° | 179.8° |
| C4 | C5 | N7 | C8 | 0.2° | 0.3° |
| C4 | C5 | N7 | C6 | 180.0° | 179.8° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.2° | 0.1° |
| C8 | N9 | C1' | C2' | 57.3° | 89.4° |
| C8 | N9 | C1' | O4' | 54.7° | 28.5° |
| C8 | N9 | C1' | H1' | 179.2° | 149.5° |
| C1' | N9 | C8 | N7 | 179.4° | 180.0° |
| C1' | N9 | C8 | H8 | 0.6° | 0.1° |
| N9 | C1' | C2' | O4' | 111.8° | 119.6° |
| N9 | C1' | C2' | H1' | 122.0° | 121.0° |
| N9 | C1' | O4' | H1' | 121.0° | 121.0° |
| N9 | C1' | C2' | C3' | 76.3° | 121.7° |
| N9 | C1' | C2' | O2' | 163.7° | 119.6° |
| N9 | C1' | C2' | H2' | 45.3° | 2.8° |
| N9 | C1' | O4' | C4' | 76.0° | 146.1° |
| C8 | N7 | C5 | C6 | 179.9° | 179.9° |
| H8 | C8 | N7 | C5 | 179.8° | 180.0° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| C5 | C6 | N6 | HN61 | 0.7° | 179.9° |
| C5 | C6 | N6 | HN62 | 125.9° | 0.1° |
| C6 | N6 | HN61 | HN62 | 125.2° | 180.0° |
| C2' | C1' | O4' | H1' | 120.9° | 119.4° |
| C1' | C2' | C3' | O2' | 118.2° | 118.7° |
| C1' | C2' | C3' | H2' | 123.3° | 118.7° |
| C1' | C2' | O2' | H2' | 123.5° | 122.5° |
| C1' | C2' | C3' | C4' | 16.0° | 20.7° |
| C1' | C2' | C3' | O3' | 134.6° | 139.1° |
| C1' | C2' | C3' | H3' | 107.0° | 97.4° |
| C2' | C1' | O4' | C4' | 42.0° | 26.5° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| O4' | C1' | C2' | C3' | 35.5° | 2.1° |
| O4' | C1' | C2' | O2' | 84.5° | 120.8° |
| O4' | C1' | C2' | H2' | 157.1° | 116.7° |
| C1' | O4' | C4' | C3' | 31.3° | 40.0° |
| C1' | O4' | C4' | C5' | 89.2° | 158.5° |
| C1' | O4' | C4' | H4' | 152.8° | 78.6° |
| H1' | C1' | C2' | C3' | 161.7° | 117.3° |
| H1' | C1' | C2' | O2' | 41.7° | 1.4° |
| H1' | C1' | C2' | H2' | 76.7° | 123.9° |
| H1' | C1' | O4' | C4' | 162.9° | 92.9° |
| C3' | C2' | O2' | H2' | 122.0° | 122.7° |
| C2' | C3' | C4' | O3' | 121.0° | 118.2° |
| C2' | C3' | C4' | H3' | 120.8° | 118.1° |
| C2' | C3' | O3' | H3' | 121.0° | 123.6° |
| C2' | C3' | C4' | C5' | 112.9° | 155.4° |
| C2' | C3' | C4' | O4' | 8.4° | 36.9° |
| C2' | C3' | C4' | H4' | 129.2° | 81.8° |
| C3' | C2' | O2' | HO2' | 65.6° | 65.2° |
| C2' | C3' | O3' | HO3' | 180.0° | 180.0° |
| O2' | C2' | C3' | C4' | 102.2° | 98.0° |
| O2' | C2' | C3' | O3' | 16.4° | 20.4° |
| O2' | C2' | C3' | H3' | 134.8° | 143.9° |
| H2' | C2' | C3' | C4' | 139.3° | 139.4° |
| H2' | C2' | C3' | O3' | 102.1° | 102.1° |
| H2' | C2' | C3' | H3' | 16.2° | 21.4° |
| H2' | C2' | O2' | HO2' | 56.5° | 57.5° |
| C4' | C3' | O3' | H3' | 123.2° | 123.7° |
| C3' | C4' | C5' | O4' | 117.5° | 114.2° |
| C3' | C4' | C5' | H4' | 121.6° | 122.9° |
| C3' | C4' | O4' | H4' | 121.6° | 118.6° |
| C3' | C4' | C5' | H5'1 | 180.0° | 177.8° |
| C3' | C4' | C5' | H5'2 | 54.7° | 62.1° |
| C3' | C4' | C5' | H5'3 | 54.8° | 57.8° |
| C4' | C3' | O3' | HO3' | 64.1° | 67.3° |
| O3' | C3' | C4' | C5' | 126.2° | 86.3° |
| O3' | C3' | C4' | O4' | 112.5° | 155.1° |
| O3' | C3' | C4' | H4' | 8.2° | 36.5° |
| H3' | C3' | C4' | C5' | 7.9° | 37.3° |
| H3' | C3' | C4' | O4' | 129.2° | 81.3° |
| H3' | C3' | C4' | H4' | 110.0° | 160.1° |
| H3' | C3' | O3' | HO3' | 59.0° | 56.5° |
| C5' | C4' | O4' | H4' | 117.9° | 122.8° |
| C4' | C5' | H5'1 | H5'2 | 125.2° | 120.0° |
| C4' | C5' | H5'1 | H5'3 | 125.2° | 120.0° |
| C4' | C5' | H5'2 | H5'3 | 117.7° | 120.0° |
| O4' | C4' | C5' | H5'1 | 62.5° | 63.5° |
| O4' | C4' | C5' | H5'2 | 172.2° | 176.4° |
| O4' | C4' | C5' | H5'3 | 62.8° | 56.4° |
| H4' | C4' | C5' | H5'1 | 58.4° | 59.4° |
| H4' | C4' | C5' | H5'2 | 66.9° | 60.7° |
| H4' | C4' | C5' | H5'3 | 176.4° | 179.3° |
| H5'1 | C5' | H5'2 | H5'3 | 117.7° | 120.0° |
