CA0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.37Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | doub | 1.33Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.50Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.52Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.37Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | N9 | sing | 1.46Å | 1.50Å | |
| O2A | PA | doub | 1.48Å | 1.52Å | |
| O1A | PA | sing | 1.61Å | 1.54Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| N2B | CB | sing | 1.35Å | 1.46Å | |
| O1B | CB | doub | 1.21Å | 1.23Å | |
| CB | O3A | sing | 1.35Å | 1.41Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O2' | C2' | sing | 1.43Å | 1.46Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| N2B | HN2B | sing | 0.97Å | 1.00Å | |
| N2B | HN2A | sing | 0.97Å | 1.00Å | |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.8° | 121.2° |
| N1 | C2 | N3 | 124.4° | 122.4° |
| N1 | C2 | H2 | 117.8° | 118.8° |
| N1 | C6 | C5 | 117.7° | 118.5° |
| N1 | C6 | N6 | 123.0° | 120.8° |
| N3 | C2 | H2 | 117.8° | 118.8° |
| C2 | N3 | C4 | 121.1° | 120.7° |
| N3 | C4 | N9 | 137.1° | 134.9° |
| N3 | C4 | C5 | 117.9° | 119.1° |
| N9 | C4 | C5 | 104.9° | 106.0° |
| C4 | N9 | C8 | 109.0° | 107.4° |
| C4 | N9 | C1' | 129.6° | 126.3° |
| C4 | C5 | N7 | 107.0° | 107.1° |
| C4 | C5 | C6 | 118.0° | 118.1° |
| N7 | C5 | C6 | 135.0° | 134.7° |
| C5 | N7 | C8 | 107.4° | 109.5° |
| C5 | C6 | N6 | 119.3° | 120.7° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 120.0° |
| HN6 | N6 | HN6A | 109.5° | 120.1° |
| N7 | C8 | N9 | 111.8° | 109.9° |
| N7 | C8 | H8 | 124.1° | 125.0° |
| N9 | C8 | H8 | 124.1° | 125.1° |
| C8 | N9 | C1' | 121.4° | 126.2° |
| N9 | C1' | O4' | 107.9° | 110.7° |
| N9 | C1' | C2' | 116.8° | 110.6° |
| N9 | C1' | H1' | 105.1° | 110.6° |
| O2A | PA | O1A | 123.2° | 109.5° |
| O2A | PA | O3A | 101.7° | 109.4° |
| O2A | PA | O5' | 105.8° | 109.5° |
| O1A | PA | O3A | 111.6° | 109.5° |
| O1A | PA | O5' | 106.0° | 109.5° |
| PA | O1A | HO1A | 109.5° | 114.0° |
| O3A | PA | O5' | 107.7° | 109.5° |
| PA | O3A | CB | 115.6° | 117.0° |
| PA | O5' | C5' | 119.1° | 123.0° |
| N2B | CB | O1B | 123.2° | 120.0° |
| N2B | CB | O3A | 118.1° | 119.9° |
| CB | N2B | HN2B | 120.0° | 120.1° |
| CB | N2B | HN2A | 120.0° | 120.0° |
| O1B | CB | O3A | 118.7° | 120.0° |
| O4' | C1' | C2' | 108.2° | 103.6° |
| O4' | C1' | H1' | 114.3° | 110.6° |
| C1' | O4' | C4' | 111.5° | 106.9° |
| C2' | C1' | H1' | 104.8° | 110.6° |
| C1' | C2' | O2' | 110.7° | 110.9° |
| C1' | C2' | C3' | 102.6° | 102.1° |
| C1' | C2' | H2' | 115.2° | 110.9° |
| O2' | C2' | C3' | 114.9° | 110.9° |
| O2' | C2' | H2' | 102.9° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C2' | H2' | 111.0° | 110.9° |
| C2' | C3' | O3' | 115.1° | 110.5° |
| C2' | C3' | C4' | 106.7° | 104.2° |
| C2' | C3' | H3' | 107.8° | 110.5° |
| HN2B | N2B | HN2A | 120.0° | 119.9° |
| O3' | C3' | C4' | 110.2° | 110.6° |
| O3' | C3' | H3' | 104.2° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 113.0° | 110.5° |
| C3' | C4' | C5' | 113.2° | 109.9° |
| C3' | C4' | O4' | 105.2° | 107.4° |
| C3' | C4' | H4' | 109.5° | 109.9° |
| C5' | C4' | O4' | 108.2° | 109.9° |
| C5' | C4' | H4' | 106.5° | 109.9° |
| C4' | C5' | O5' | 109.2° | 109.5° |
| C4' | C5' | H5' | 109.6° | 109.5° |
| C4' | C5' | H5'A | 109.6° | 109.5° |
| O4' | C4' | H4' | 114.4° | 109.8° |
| O5' | C5' | H5' | 109.6° | 109.5° |
| O5' | C5' | H5'A | 109.6° | 109.5° |
| H5' | C5' | H5'A | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| C2 | N1 | C6 | N6 | 179.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| C6 | N1 | C2 | H2 | 179.4° | 179.9° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N7 | 179.3° | 180.0° |
| N1 | C6 | C5 | N6 | 179.4° | 179.9° |
| N1 | C6 | N6 | HN6 | 0.0° | 179.9° |
| N1 | C6 | N6 | HN6A | 120.0° | 0.1° |
| C2 | N3 | C4 | N9 | 179.4° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| H2 | C2 | N3 | C4 | 179.6° | 180.0° |
| N3 | C4 | N9 | C5 | 179.5° | 180.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | N9 | C8 | 179.5° | 180.0° |
| N3 | C4 | N9 | C1' | 0.5° | 0.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | C1' | 179.1° | 180.0° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| C4 | N9 | C1' | O4' | 174.2° | 158.6° |
| C4 | N9 | C1' | C2' | 52.1° | 87.2° |
| C4 | N9 | C1' | H1' | 63.5° | 35.7° |
| C4 | C5 | N7 | C6 | 179.4° | 180.0° |
| C4 | C5 | C6 | N6 | 179.4° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C1' | 179.0° | 180.0° |
| N7 | C5 | C6 | N6 | 1.3° | 0.0° |
| C5 | N7 | C8 | N9 | 0.0° | 0.0° |
| C5 | N7 | C8 | H8 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN6 | 179.4° | 0.0° |
| C5 | C6 | N6 | HN6A | 60.6° | 180.0° |
| C6 | C5 | N7 | C8 | 179.4° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.1° | 180.0° |
| C8 | N9 | C1' | O4' | 6.9° | 21.4° |
| C8 | N9 | C1' | C2' | 129.0° | 92.9° |
| C8 | N9 | C1' | H1' | 115.4° | 144.3° |
| H8 | C8 | N9 | C1' | 0.9° | 0.1° |
| N9 | C1' | O4' | C2' | 127.3° | 118.6° |
| N9 | C1' | O4' | H1' | 116.4° | 122.9° |
| N9 | C1' | C2' | H1' | 115.8° | 122.8° |
| N9 | C1' | C2' | O2' | 125.9° | 86.2° |
| N9 | C1' | C2' | C3' | 111.1° | 155.5° |
| N9 | C1' | C2' | H2' | 9.6° | 37.3° |
| N9 | C1' | O4' | C4' | 131.7° | 158.4° |
| O2A | PA | O1A | O3A | 121.3° | 120.0° |
| O2A | PA | O1A | O5' | 121.7° | 120.0° |
| O2A | PA | O3A | O5' | 111.0° | 120.0° |
| O2A | PA | O3A | CB | 11.1° | 55.1° |
| O2A | PA | O1A | HO1A | 0.0° | 180.0° |
| O2A | PA | O5' | C5' | 79.1° | 55.0° |
| O1A | PA | O3A | O5' | 115.9° | 120.0° |
| O1A | PA | O3A | CB | 122.1° | 65.0° |
| O1A | PA | O5' | C5' | 53.2° | 65.0° |
| PA | O3A | CB | N2B | 122.4° | 179.9° |
| PA | O3A | CB | O1B | 56.9° | 0.1° |
| O3A | PA | O1A | HO1A | 121.3° | 60.0° |
| O3A | PA | O5' | C5' | 172.8° | 175.0° |
| O5' | PA | O3A | CB | 122.0° | 175.0° |
| O5' | PA | O1A | HO1A | 121.7° | 60.0° |
| PA | O5' | C5' | C4' | 110.7° | 180.0° |
| PA | O5' | C5' | H5' | 129.3° | 60.0° |
| PA | O5' | C5' | H5'A | 9.3° | 60.0° |
| N2B | CB | O1B | O3A | 179.3° | 180.0° |
| CB | N2B | HN2B | HN2A | 180.0° | 180.0° |
| O1B | CB | N2B | HN2B | 0.0° | 180.0° |
| O1B | CB | N2B | HN2A | 180.0° | 0.0° |
| O3A | CB | N2B | HN2B | 179.3° | 0.0° |
| O3A | CB | N2B | HN2A | 0.7° | 180.0° |
| O4' | C1' | C2' | H1' | 122.3° | 118.5° |
| O4' | C1' | C2' | O2' | 112.2° | 155.2° |
| O4' | C1' | C2' | C3' | 10.9° | 36.9° |
| O4' | C1' | C2' | H2' | 131.6° | 81.3° |
| C1' | O4' | C4' | C3' | 18.0° | 26.3° |
| C1' | O4' | C4' | C5' | 139.3° | 145.8° |
| C1' | O4' | C4' | H4' | 102.2° | 93.2° |
| C1' | C2' | O2' | C3' | 115.6° | 112.8° |
| C1' | C2' | O2' | H2' | 123.6° | 123.6° |
| C1' | C2' | C3' | H2' | 123.5° | 118.2° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | O3' | 143.9° | 97.9° |
| C1' | C2' | C3' | C4' | 21.4° | 20.9° |
| C1' | C2' | C3' | H3' | 100.3° | 139.5° |
| C2' | C1' | O4' | C4' | 4.5° | 39.8° |
| H1' | C1' | C2' | O2' | 10.1° | 36.6° |
| H1' | C1' | C2' | C3' | 133.2° | 81.6° |
| H1' | C1' | C2' | H2' | 106.1° | 160.2° |
| H1' | C1' | O4' | C4' | 111.8° | 78.7° |
| O2' | C2' | C3' | H2' | 116.2° | 123.5° |
| O2' | C2' | C3' | O3' | 23.7° | 20.3° |
| O2' | C2' | C3' | C4' | 98.9° | 139.1° |
| O2' | C2' | C3' | H3' | 139.5° | 102.2° |
| C3' | C2' | O2' | HO2' | 64.4° | 67.3° |
| C2' | C3' | O3' | C4' | 120.7° | 114.8° |
| C2' | C3' | O3' | H3' | 117.8° | 122.6° |
| C2' | C3' | C4' | H3' | 118.3° | 118.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 142.6° | 121.5° |
| C2' | C3' | C4' | O4' | 24.6° | 1.9° |
| C2' | C3' | C4' | H4' | 98.7° | 117.5° |
| H2' | C2' | O2' | HO2' | 56.4° | 56.3° |
| H2' | C2' | C3' | O3' | 92.5° | 143.9° |
| H2' | C2' | C3' | C4' | 144.9° | 97.4° |
| H2' | C2' | C3' | H3' | 23.2° | 21.3° |
| O3' | C3' | C4' | H3' | 116.1° | 122.6° |
| O3' | C3' | C4' | C5' | 91.8° | 119.8° |
| O3' | C3' | C4' | O4' | 150.3° | 120.6° |
| O3' | C3' | C4' | H4' | 26.9° | 1.2° |
| C4' | C3' | O3' | HO3' | 59.3° | 176.3° |
| C3' | C4' | C5' | O4' | 116.2° | 117.9° |
| C3' | C4' | C5' | H4' | 120.4° | 121.1° |
| C3' | C4' | O4' | H4' | 120.2° | 119.5° |
| C3' | C4' | C5' | O5' | 34.1° | 175.0° |
| C3' | C4' | C5' | H5' | 85.9° | 55.0° |
| C3' | C4' | C5' | H5'A | 154.1° | 65.0° |
| H3' | C3' | O3' | HO3' | 62.2° | 61.1° |
| H3' | C3' | C4' | C5' | 24.3° | 2.8° |
| H3' | C3' | C4' | O4' | 93.7° | 116.7° |
| H3' | C3' | C4' | H4' | 143.0° | 123.9° |
| C5' | C4' | O4' | H4' | 118.5° | 121.0° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.1° | 120.0° |
| O4' | C4' | C5' | O5' | 150.3° | 67.0° |
| O4' | C4' | C5' | H5' | 30.3° | 173.0° |
| O4' | C4' | C5' | H5'A | 89.7° | 53.0° |
| H4' | C4' | C5' | O5' | 86.3° | 54.0° |
| H4' | C4' | C5' | H5' | 153.7° | 66.0° |
| H4' | C4' | C5' | H5'A | 33.7° | 174.0° |
| O5' | C5' | H5' | H5'A | 120.1° | 120.0° |
