CSG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.41Å | 1.43Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | doub | 1.33Å | 1.32Å | |
| C4 | N4 | sing | 1.38Å | 1.34Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| C6 | N1 | sing | 1.36Å | 1.36Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| N2' | C2' | sing | 1.47Å | 1.45Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| N2' | HN2' | sing | 1.01Å | 1.00Å | |
| N2' | HN2A | sing | 1.01Å | 1.00Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | PA | sing | 1.61Å | 1.58Å | |
| O1A | PA | doub | 1.48Å | 1.52Å | |
| O2A | PA | sing | 1.61Å | 1.52Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.63Å | |
| O2B | PB | doub | 1.48Å | 1.52Å | |
| PB | O1B | sing | 1.61Å | 1.51Å | |
| PB | O3B | sing | 1.61Å | 1.61Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| PG | O3B | sing | 1.61Å | 1.61Å | |
| O3G | PG | doub | 1.48Å | 1.52Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| O1G | HO1G | sing | 0.97Å | 0.95Å | |
| O2G | HO2G | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 117.5° | 118.9° |
| C6 | C5 | H5 | 121.2° | 120.5° |
| C5 | C6 | N1 | 121.8° | 119.3° |
| C5 | C6 | H6 | 119.1° | 120.4° |
| C4 | C5 | H5 | 121.3° | 120.6° |
| C5 | C4 | N3 | 120.7° | 119.6° |
| C5 | C4 | N4 | 121.8° | 120.2° |
| N3 | C4 | N4 | 117.5° | 120.2° |
| C4 | N3 | C2 | 121.0° | 120.7° |
| C4 | N4 | HN4 | 109.6° | 120.0° |
| C4 | N4 | HN4A | 125.2° | 120.0° |
| HN4 | N4 | HN4A | 125.2° | 119.9° |
| N3 | C2 | N1 | 119.9° | 121.0° |
| N3 | C2 | O2 | 122.8° | 119.5° |
| N1 | C2 | O2 | 117.3° | 119.5° |
| C2 | N1 | C6 | 119.1° | 120.4° |
| C2 | N1 | C1' | 116.1° | 119.8° |
| N1 | C6 | H6 | 119.1° | 120.3° |
| C6 | N1 | C1' | 124.8° | 119.9° |
| N1 | C1' | O4' | 111.9° | 110.6° |
| N1 | C1' | C2' | 112.1° | 110.6° |
| N1 | C1' | H1' | 105.4° | 110.5° |
| O4' | C1' | C2' | 107.8° | 103.5° |
| O4' | C1' | H1' | 109.9° | 110.8° |
| C1' | O4' | C4' | 108.8° | 107.0° |
| C2' | C1' | H1' | 109.7° | 110.7° |
| C1' | C2' | N2' | 107.1° | 110.9° |
| C1' | C2' | C3' | 100.6° | 102.1° |
| C1' | C2' | H2' | 117.4° | 110.9° |
| O4' | C4' | C3' | 101.8° | 107.3° |
| O4' | C4' | C5' | 104.1° | 109.9° |
| O4' | C4' | H4' | 118.1° | 109.9° |
| N2' | C2' | C3' | 112.3° | 110.9° |
| N2' | C2' | H2' | 106.7° | 110.8° |
| C2' | N2' | HN2' | 109.5° | 111.0° |
| C2' | N2' | HN2A | 109.5° | 111.0° |
| C3' | C2' | H2' | 112.7° | 111.0° |
| C2' | C3' | C4' | 101.6° | 104.2° |
| C2' | C3' | O3' | 117.0° | 110.5° |
| C2' | C3' | H3' | 111.8° | 110.5° |
| HN2' | N2' | HN2A | 109.4° | 111.0° |
| C4' | C3' | O3' | 114.3° | 110.5° |
| C4' | C3' | H3' | 114.6° | 110.6° |
| C3' | C4' | C5' | 111.3° | 109.9° |
| C3' | C4' | H4' | 111.6° | 109.9° |
| O3' | C3' | H3' | 98.3° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.1° |
| C5' | C4' | H4' | 109.6° | 110.0° |
| C4' | C5' | O5' | 102.6° | 109.5° |
| C4' | C5' | H5' | 111.8° | 109.5° |
| C4' | C5' | H5'A | 113.3° | 109.4° |
| O5' | C5' | H5' | 111.9° | 109.5° |
| O5' | C5' | H5'A | 113.3° | 109.5° |
| C5' | O5' | PA | 121.8° | 123.0° |
| H5' | C5' | H5'A | 104.3° | 109.5° |
| O5' | PA | O1A | 109.5° | 109.5° |
| O5' | PA | O2A | 105.9° | 109.5° |
| O5' | PA | O3A | 100.8° | 109.5° |
| O1A | PA | O2A | 117.4° | 109.5° |
| O1A | PA | O3A | 111.1° | 109.5° |
| O2A | PA | O3A | 110.7° | 109.5° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| PA | O3A | PB | 131.0° | 134.0° |
| O3A | PB | O2B | 111.7° | 109.5° |
| O3A | PB | O1B | 108.7° | 109.4° |
| O3A | PB | O3B | 105.7° | 109.5° |
| O2B | PB | O1B | 116.0° | 109.5° |
| O2B | PB | O3B | 106.9° | 109.5° |
| O1B | PB | O3B | 107.3° | 109.5° |
| PB | O1B | HO1B | 109.5° | 114.0° |
| PB | O3B | PG | 125.4° | 134.0° |
| O3B | PG | O3G | 110.8° | 109.5° |
| O3B | PG | O2G | 108.7° | 109.5° |
| O3B | PG | O1G | 107.1° | 109.5° |
| O3G | PG | O2G | 108.5° | 109.4° |
| O3G | PG | O1G | 110.1° | 109.4° |
| O2G | PG | O1G | 111.6° | 109.4° |
| PG | O2G | HO2G | 109.5° | 114.0° |
| PG | O1G | HO1G | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H5 | 180.0° | 179.8° |
| C6 | C5 | C4 | N3 | 0.2° | 0.2° |
| C6 | C5 | C4 | N4 | 179.6° | 179.7° |
| C5 | C6 | N1 | C2 | 0.5° | 0.4° |
| C5 | C6 | N1 | H6 | 180.0° | 179.6° |
| C5 | C6 | N1 | C1' | 179.9° | 180.0° |
| C5 | C4 | N3 | N4 | 179.4° | 179.9° |
| C5 | C4 | N4 | HN4 | 0.3° | 0.1° |
| C5 | C4 | N4 | HN4A | 179.7° | 180.0° |
| C5 | C4 | N3 | C2 | 0.5° | 0.1° |
| C4 | C5 | C6 | N1 | 0.3° | 0.4° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| H5 | C5 | C4 | N3 | 179.8° | 180.0° |
| H5 | C5 | C4 | N4 | 0.4° | 0.1° |
| H5 | C5 | C6 | N1 | 179.7° | 179.7° |
| H5 | C5 | C6 | H6 | 0.3° | 0.2° |
| N3 | C4 | N4 | HN4 | 179.7° | 180.0° |
| N3 | C4 | N4 | HN4A | 0.3° | 0.1° |
| C4 | N3 | C2 | N1 | 0.3° | 0.1° |
| C4 | N3 | C2 | O2 | 179.6° | 179.9° |
| C4 | N4 | HN4 | HN4A | 180.0° | 179.9° |
| N4 | C4 | N3 | C2 | 179.9° | 180.0° |
| N3 | C2 | N1 | O2 | 179.9° | 179.9° |
| N3 | C2 | N1 | C6 | 0.2° | 0.2° |
| N3 | C2 | N1 | C1' | 179.8° | 179.8° |
| C2 | N1 | C6 | C1' | 179.6° | 179.6° |
| C2 | N1 | C6 | H6 | 179.5° | 180.0° |
| C2 | N1 | C1' | O4' | 163.3° | 48.6° |
| C2 | N1 | C1' | C2' | 75.5° | 65.4° |
| C2 | N1 | C1' | H1' | 43.8° | 171.7° |
| O2 | C2 | N1 | C6 | 179.9° | 179.7° |
| O2 | C2 | N1 | C1' | 0.3° | 0.1° |
| C6 | N1 | C1' | O4' | 17.1° | 130.9° |
| C6 | N1 | C1' | C2' | 104.1° | 115.0° |
| C6 | N1 | C1' | H1' | 136.6° | 7.9° |
| H6 | C6 | N1 | C1' | 0.1° | 0.4° |
| N1 | C1' | O4' | C2' | 123.7° | 118.5° |
| N1 | C1' | O4' | H1' | 116.7° | 122.9° |
| N1 | C1' | C2' | H1' | 116.7° | 122.8° |
| N1 | C1' | O4' | C4' | 130.3° | 158.6° |
| N1 | C1' | C2' | N2' | 139.6° | 86.3° |
| N1 | C1' | C2' | C3' | 103.0° | 155.6° |
| N1 | C1' | C2' | H2' | 19.6° | 37.3° |
| O4' | C1' | C2' | H1' | 119.6° | 118.7° |
| O4' | C1' | C2' | N2' | 96.8° | 155.2° |
| O4' | C1' | C2' | C3' | 20.7° | 37.1° |
| O4' | C1' | C2' | H2' | 143.3° | 81.2° |
| C1' | O4' | C4' | C3' | 31.5° | 26.5° |
| C1' | O4' | C4' | C5' | 147.3° | 146.0° |
| C1' | O4' | C4' | H4' | 91.0° | 92.9° |
| C2' | C1' | O4' | C4' | 6.6° | 40.1° |
| C1' | C2' | N2' | C3' | 109.5° | 112.7° |
| C1' | C2' | N2' | H2' | 126.6° | 123.6° |
| C1' | C2' | C3' | H2' | 125.9° | 118.2° |
| C1' | C2' | N2' | HN2' | 158.3° | 180.0° |
| C1' | C2' | N2' | HN2A | 81.7° | 56.0° |
| C1' | C2' | C3' | C4' | 38.8° | 20.9° |
| C1' | C2' | C3' | O3' | 163.9° | 97.8° |
| C1' | C2' | C3' | H3' | 83.9° | 139.7° |
| H1' | C1' | O4' | C4' | 113.0° | 78.6° |
| H1' | C1' | C2' | N2' | 22.8° | 36.5° |
| H1' | C1' | C2' | C3' | 140.3° | 81.7° |
| H1' | C1' | C2' | H2' | 97.1° | 160.1° |
| O4' | C4' | C3' | C2' | 43.5° | 2.0° |
| O4' | C4' | C3' | C5' | 110.3° | 119.5° |
| O4' | C4' | C3' | H4' | 126.9° | 119.4° |
| O4' | C4' | C3' | O3' | 170.4° | 120.7° |
| O4' | C4' | C3' | H3' | 77.2° | 116.8° |
| O4' | C4' | C5' | H4' | 127.2° | 121.1° |
| O4' | C4' | C5' | O5' | 54.6° | 66.4° |
| O4' | C4' | C5' | H5' | 65.4° | 173.6° |
| O4' | C4' | C5' | H5'A | 177.1° | 53.5° |
| N2' | C2' | C3' | H2' | 120.6° | 123.6° |
| C2' | N2' | HN2' | HN2A | 120.0° | 123.9° |
| N2' | C2' | C3' | C4' | 74.8° | 139.1° |
| N2' | C2' | C3' | O3' | 50.3° | 20.4° |
| N2' | C2' | C3' | H3' | 162.6° | 102.1° |
| C3' | C2' | N2' | HN2' | 92.2° | 67.3° |
| C3' | C2' | N2' | HN2A | 27.8° | 56.6° |
| C2' | C3' | C4' | O3' | 126.9° | 118.7° |
| C2' | C3' | C4' | H3' | 120.7° | 118.8° |
| C2' | C3' | O3' | H3' | 119.7° | 122.6° |
| C2' | C3' | O3' | HO3' | 79.8° | 180.0° |
| C2' | C3' | C4' | C5' | 153.8° | 121.4° |
| C2' | C3' | C4' | H4' | 83.4° | 117.4° |
| H2' | C2' | N2' | HN2' | 31.7° | 56.4° |
| H2' | C2' | N2' | HN2A | 151.7° | 179.7° |
| H2' | C2' | C3' | C4' | 164.6° | 97.3° |
| H2' | C2' | C3' | O3' | 70.2° | 144.0° |
| H2' | C2' | C3' | H3' | 42.0° | 21.5° |
| C4' | C3' | O3' | H3' | 121.8° | 122.6° |
| C4' | C3' | O3' | HO3' | 161.8° | 65.2° |
| C3' | C4' | C5' | H4' | 123.9° | 121.1° |
| C3' | C4' | C5' | O5' | 54.2° | 175.7° |
| C3' | C4' | C5' | H5' | 174.2° | 55.7° |
| C3' | C4' | C5' | H5'A | 68.3° | 64.3° |
| O3' | C3' | C4' | C5' | 79.3° | 119.8° |
| O3' | C3' | C4' | H4' | 43.5° | 1.3° |
| H3' | C3' | O3' | HO3' | 39.9° | 57.4° |
| H3' | C3' | C4' | C5' | 33.1° | 2.7° |
| H3' | C3' | C4' | H4' | 155.9° | 123.9° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 122.5° | 119.9° |
| C4' | C5' | H5' | H5'A | 122.8° | 119.9° |
| C4' | C5' | O5' | PA | 173.5° | 180.0° |
| H4' | C4' | C5' | O5' | 178.2° | 54.6° |
| H4' | C4' | C5' | H5' | 61.8° | 65.4° |
| H4' | C4' | C5' | H5'A | 55.7° | 174.6° |
| O5' | C5' | H5' | H5'A | 122.8° | 120.0° |
| C5' | O5' | PA | O1A | 16.3° | 55.0° |
| C5' | O5' | PA | O2A | 143.8° | 65.0° |
| C5' | O5' | PA | O3A | 100.9° | 175.0° |
| H5' | C5' | O5' | PA | 66.5° | 60.0° |
| H5'A | C5' | O5' | PA | 51.0° | 60.1° |
| O5' | PA | O1A | O2A | 120.7° | 120.0° |
| O5' | PA | O1A | O3A | 110.5° | 120.0° |
| O5' | PA | O2A | O3A | 108.4° | 120.0° |
| O5' | PA | O2A | HO2A | 78.1° | 60.0° |
| O5' | PA | O3A | PB | 59.7° | 160.0° |
| O1A | PA | O2A | O3A | 129.0° | 120.0° |
| O1A | PA | O2A | HO2A | 44.5° | 180.0° |
| O1A | PA | O3A | PB | 56.3° | 40.0° |
| O2A | PA | O3A | PB | 171.4° | 80.0° |
| O3A | PA | O2A | HO2A | 173.5° | 60.0° |
| PA | O3A | PB | O2B | 31.9° | 40.0° |
| PA | O3A | PB | O1B | 97.4° | 80.0° |
| PA | O3A | PB | O3B | 147.7° | 160.0° |
| O3A | PB | O2B | O1B | 125.3° | 120.0° |
| O3A | PB | O2B | O3B | 115.1° | 120.0° |
| O3A | PB | O1B | O3B | 113.8° | 120.0° |
| O3A | PB | O1B | HO1B | 121.9° | 60.1° |
| O3A | PB | O3B | PG | 58.8° | 165.0° |
| O2B | PB | O1B | O3B | 119.3° | 120.0° |
| O2B | PB | O1B | HO1B | 111.3° | 180.0° |
| O2B | PB | O3B | PG | 60.2° | 45.0° |
| O1B | PB | O3B | PG | 174.7° | 75.1° |
| O3B | PB | O1B | HO1B | 8.0° | 59.9° |
| PB | O3B | PG | O3G | 14.0° | 45.0° |
| PB | O3B | PG | O2G | 105.2° | 75.0° |
| PB | O3B | PG | O1G | 134.2° | 165.0° |
| O3B | PG | O3G | O2G | 119.3° | 120.0° |
| O3B | PG | O3G | O1G | 118.3° | 120.0° |
| O3B | PG | O2G | O1G | 117.8° | 120.0° |
| O3B | PG | O1G | HO1G | 88.0° | 180.0° |
| O3B | PG | O2G | HO2G | 94.8° | 60.0° |
| O3G | PG | O2G | O1G | 121.5° | 119.9° |
| O3G | PG | O1G | HO1G | 151.4° | 60.0° |
| O3G | PG | O2G | HO2G | 25.8° | 180.0° |
| O2G | PG | O1G | HO1G | 30.8° | 60.0° |
| O1G | PG | O2G | HO2G | 147.4° | 60.1° |
