CTD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.37Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| N1 | C1' | sing | 1.46Å | 1.61Å | |
| C2 | C3 | sing | 1.40Å | 1.42Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | doub | 1.38Å | 1.34Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| C4 | N4 | sing | 1.38Å | 1.32Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| C1' | C2' | sing | 1.54Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C3' | sing | 1.55Å | 1.46Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.47Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 123.6° | 121.1° |
| C2 | N1 | C1' | 117.5° | 119.4° |
| N1 | C2 | C3 | 116.6° | 120.2° |
| N1 | C2 | O2 | 123.3° | 119.9° |
| C6 | N1 | C1' | 118.8° | 119.4° |
| N1 | C6 | C5 | 118.9° | 120.9° |
| N1 | C6 | H6 | 121.3° | 119.6° |
| N1 | C1' | C2' | 137.4° | 110.4° |
| N1 | C1' | O4' | 100.1° | 110.4° |
| N1 | C1' | H1' | 98.9° | 110.4° |
| C3 | C2 | O2 | 119.9° | 119.9° |
| C2 | C3 | C4 | 120.7° | 119.1° |
| C2 | C3 | H3 | 122.6° | 120.5° |
| C4 | C3 | H3 | 116.7° | 120.4° |
| C3 | C4 | C5 | 119.3° | 118.9° |
| C3 | C4 | N4 | 119.8° | 120.6° |
| C5 | C4 | N4 | 120.8° | 120.6° |
| C4 | C5 | C6 | 120.3° | 119.8° |
| C4 | C5 | H5 | 122.9° | 120.1° |
| C4 | N4 | HN41 | 119.9° | 120.0° |
| C4 | N4 | HN42 | 108.5° | 120.0° |
| C6 | C5 | H5 | 116.8° | 120.1° |
| C5 | C6 | H6 | 119.8° | 119.6° |
| HN41 | N4 | HN42 | 108.4° | 120.0° |
| C2' | C1' | O4' | 115.3° | 104.9° |
| C2' | C1' | H1' | 73.3° | 110.3° |
| C1' | C2' | O2' | 110.1° | 110.8° |
| C1' | C2' | C3' | 100.4° | 104.0° |
| C1' | C2' | H2' | 117.5° | 110.4° |
| O4' | C1' | H1' | 134.5° | 110.3° |
| C1' | O4' | C4' | 101.2° | 105.3° |
| O2' | C2' | C3' | 116.5° | 110.5° |
| O2' | C2' | H2' | 101.8° | 110.5° |
| C2' | O2' | HO2' | 110.2° | 106.8° |
| C3' | C2' | H2' | 111.4° | 110.5° |
| C2' | C3' | C4' | 103.2° | 104.1° |
| C2' | C3' | O3' | 110.7° | 110.6° |
| C2' | C3' | H3' | 112.4° | 110.6° |
| C4' | C3' | O3' | 108.6° | 110.5° |
| C4' | C3' | H3' | 114.4° | 110.5° |
| C3' | C4' | O4' | 108.8° | 104.8° |
| C3' | C4' | C5' | 115.8° | 110.5° |
| C3' | C4' | H4' | 107.0° | 110.4° |
| O3' | C3' | H3' | 107.5° | 110.5° |
| C3' | O3' | HO3' | 110.7° | 106.8° |
| O4' | C4' | C5' | 113.6° | 110.4° |
| O4' | C4' | H4' | 109.6° | 110.4° |
| C5' | C4' | H4' | 101.5° | 110.3° |
| C4' | C5' | O5' | 107.3° | 109.5° |
| C4' | C5' | H5'1 | 113.0° | 109.5° |
| C4' | C5' | H5'2 | 113.0° | 109.4° |
| O5' | C5' | H5'1 | 113.0° | 109.5° |
| O5' | C5' | H5'2 | 113.0° | 109.4° |
| C5' | O5' | HO5' | 107.3° | 106.8° |
| H5'1 | C5' | H5'2 | 97.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 179.9° | 179.9° |
| N1 | C2 | C3 | O2 | 174.5° | 179.9° |
| N1 | C2 | C3 | C4 | 8.9° | 0.1° |
| N1 | C2 | C3 | H3 | 171.2° | 179.9° |
| C2 | N1 | C6 | C5 | 0.3° | 0.2° |
| C2 | N1 | C6 | H6 | 179.7° | 180.0° |
| C2 | N1 | C1' | C2' | 95.0° | 121.5° |
| C2 | N1 | C1' | O4' | 118.4° | 123.0° |
| C2 | N1 | C1' | H1' | 20.1° | 0.8° |
| C6 | N1 | C2 | C3 | 4.3° | 0.1° |
| C6 | N1 | C2 | O2 | 170.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.5° |
| N1 | C6 | C5 | H6 | 180.0° | 179.8° |
| N1 | C6 | C5 | H5 | 179.2° | 180.0° |
| C6 | N1 | C1' | C2' | 84.9° | 58.4° |
| C6 | N1 | C1' | O4' | 61.7° | 57.1° |
| C6 | N1 | C1' | H1' | 159.9° | 179.3° |
| C1' | N1 | C2 | C3 | 175.8° | 180.0° |
| C1' | N1 | C2 | O2 | 9.9° | 0.1° |
| C1' | N1 | C6 | C5 | 179.6° | 179.7° |
| C1' | N1 | C6 | H6 | 0.4° | 0.1° |
| N1 | C1' | C2' | O4' | 143.2° | 118.9° |
| N1 | C1' | C2' | H1' | 85.0° | 122.3° |
| N1 | C1' | O4' | H1' | 113.3° | 122.2° |
| N1 | C1' | C2' | O2' | 75.8° | 98.5° |
| N1 | C1' | C2' | C3' | 160.9° | 142.7° |
| N1 | C1' | C2' | H2' | 40.1° | 24.2° |
| N1 | C1' | O4' | C4' | 152.5° | 159.4° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 8.6° | 0.2° |
| C2 | C3 | C4 | N4 | 171.6° | 179.9° |
| O2 | C2 | C3 | C4 | 165.7° | 180.0° |
| O2 | C2 | C3 | H3 | 14.3° | 0.0° |
| C3 | C4 | C5 | N4 | 179.7° | 179.7° |
| C3 | C4 | C5 | C6 | 3.8° | 0.5° |
| C3 | C4 | C5 | H5 | 176.3° | 180.0° |
| C3 | C4 | N4 | HN41 | 180.0° | 180.0° |
| C3 | C4 | N4 | HN42 | 54.7° | 0.2° |
| H3 | C3 | C4 | C5 | 171.4° | 179.8° |
| H3 | C3 | C4 | N4 | 8.3° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 179.2° | 179.7° |
| C5 | C4 | N4 | HN41 | 0.3° | 0.3° |
| C5 | C4 | N4 | HN42 | 125.0° | 179.4° |
| N4 | C4 | C5 | C6 | 176.5° | 179.8° |
| N4 | C4 | C5 | H5 | 3.5° | 0.3° |
| C4 | N4 | HN41 | HN42 | 125.3° | 179.7° |
| H5 | C5 | C6 | H6 | 0.8° | 0.2° |
| C2' | C1' | O4' | H1' | 91.0° | 118.8° |
| C1' | C2' | O2' | C3' | 113.4° | 114.7° |
| C1' | C2' | O2' | H2' | 125.4° | 122.7° |
| C1' | C2' | C3' | H2' | 125.1° | 118.5° |
| C1' | C2' | O2' | HO2' | 180.0° | 176.2° |
| C1' | C2' | C3' | C4' | 29.1° | 0.2° |
| C1' | C2' | C3' | O3' | 87.0° | 118.8° |
| C1' | C2' | C3' | H3' | 152.9° | 118.5° |
| C2' | C1' | O4' | C4' | 3.1° | 40.4° |
| O4' | C1' | C2' | O2' | 141.1° | 142.6° |
| O4' | C1' | C2' | C3' | 17.7° | 23.8° |
| O4' | C1' | C2' | H2' | 103.1° | 94.7° |
| C1' | O4' | C4' | C3' | 22.5° | 40.5° |
| C1' | O4' | C4' | C5' | 108.0° | 159.5° |
| C1' | O4' | C4' | H4' | 139.2° | 78.3° |
| H1' | C1' | C2' | O2' | 9.2° | 23.7° |
| H1' | C1' | C2' | C3' | 114.1° | 95.0° |
| H1' | C1' | C2' | H2' | 125.1° | 146.4° |
| H1' | C1' | O4' | C4' | 94.2° | 78.4° |
| O2' | C2' | C3' | H2' | 116.0° | 122.6° |
| O2' | C2' | C3' | C4' | 147.9° | 118.8° |
| O2' | C2' | C3' | O3' | 31.9° | 0.1° |
| O2' | C2' | C3' | H3' | 88.3° | 122.5° |
| C3' | C2' | O2' | HO2' | 66.7° | 61.5° |
| C2' | C3' | C4' | O3' | 117.5° | 118.7° |
| C2' | C3' | C4' | H3' | 122.4° | 118.7° |
| C2' | C3' | O3' | H3' | 123.1° | 122.7° |
| C2' | C3' | C4' | O4' | 34.7° | 24.1° |
| C2' | C3' | C4' | C5' | 94.6° | 143.0° |
| C2' | C3' | C4' | H4' | 153.1° | 94.8° |
| C2' | C3' | O3' | HO3' | 180.0° | 176.1° |
| H2' | C2' | O2' | HO2' | 54.6° | 61.1° |
| H2' | C2' | C3' | C4' | 96.1° | 118.7° |
| H2' | C2' | C3' | O3' | 147.9° | 122.7° |
| H2' | C2' | C3' | H3' | 27.7° | 0.0° |
| C4' | C3' | O3' | H3' | 124.3° | 122.6° |
| C3' | C4' | O4' | C5' | 130.6° | 119.0° |
| C3' | C4' | O4' | H4' | 116.7° | 118.8° |
| C3' | C4' | C5' | H4' | 115.5° | 122.3° |
| C4' | C3' | O3' | HO3' | 67.4° | 61.4° |
| C3' | C4' | C5' | O5' | 61.4° | 176.8° |
| C3' | C4' | C5' | H5'1 | 173.3° | 63.1° |
| C3' | C4' | C5' | H5'2 | 63.8° | 56.9° |
| O3' | C3' | C4' | O4' | 82.9° | 142.8° |
| O3' | C3' | C4' | C5' | 147.8° | 98.3° |
| O3' | C3' | C4' | H4' | 35.5° | 23.9° |
| H3' | C3' | C4' | O4' | 157.1° | 94.6° |
| H3' | C3' | C4' | C5' | 27.8° | 24.3° |
| H3' | C3' | C4' | H4' | 84.5° | 146.5° |
| H3' | C3' | O3' | HO3' | 56.9° | 61.2° |
| O4' | C4' | C5' | H4' | 117.6° | 122.3° |
| O4' | C4' | C5' | O5' | 65.5° | 61.4° |
| O4' | C4' | C5' | H5'1 | 59.7° | 178.5° |
| O4' | C4' | C5' | H5'2 | 169.2° | 58.5° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.1° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 119.0° | 120.0° |
| C4' | C5' | O5' | HO5' | 179.9° | 180.0° |
| H4' | C4' | C5' | O5' | 176.9° | 60.8° |
| H4' | C4' | C5' | H5'1 | 57.8° | 59.2° |
| H4' | C4' | C5' | H5'2 | 51.7° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 118.9° | 119.9° |
| H5'1 | C5' | O5' | HO5' | 54.7° | 59.9° |
| H5'2 | C5' | O5' | HO5' | 54.8° | 60.0° |
