CH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.40Å | |
| N1 | C6 | sing | 1.36Å | 1.38Å | |
| N1 | C1' | sing | 1.47Å | 1.52Å | |
| C2 | N3 | sing | 1.33Å | 1.34Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| N3 | C4 | doub | 1.33Å | 1.36Å | |
| C4 | C5 | sing | 1.41Å | 1.40Å | |
| C4 | N4 | sing | 1.38Å | 1.34Å | |
| C5 | C6 | doub | 1.35Å | 1.41Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | H3'2 | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O5' | PA | sing | 1.61Å | 1.66Å | |
| PA | O1A | doub | 1.48Å | 1.56Å | |
| PA | O2A | sing | 1.61Å | 1.54Å | |
| PA | O3A | sing | 1.61Å | 1.68Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.66Å | |
| PB | O1B | doub | 1.48Å | 1.57Å | |
| PB | O2B | sing | 1.61Å | 1.57Å | |
| PB | O3B | sing | 1.61Å | 1.68Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | PG | sing | 1.61Å | 1.65Å | |
| PG | O1G | doub | 1.48Å | 1.56Å | |
| PG | O2G | sing | 1.61Å | 1.59Å | |
| PG | O3G | sing | 1.61Å | 1.57Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 115.6° | 120.3° |
| C2 | N1 | C1' | 121.6° | 119.9° |
| N1 | C2 | N3 | 122.8° | 121.1° |
| N1 | C2 | O2 | 122.9° | 119.4° |
| C6 | N1 | C1' | 122.8° | 119.8° |
| N1 | C6 | C5 | 123.6° | 119.2° |
| N1 | C6 | H6 | 118.2° | 120.4° |
| N1 | C1' | C2' | 113.1° | 110.4° |
| N1 | C1' | O4' | 113.6° | 110.3° |
| N1 | C1' | H1' | 102.1° | 110.4° |
| N3 | C2 | O2 | 114.3° | 119.5° |
| C2 | N3 | C4 | 120.7° | 120.7° |
| N3 | C4 | C5 | 120.7° | 119.6° |
| N3 | C4 | N4 | 117.2° | 120.2° |
| C5 | C4 | N4 | 122.1° | 120.2° |
| C4 | C5 | C6 | 116.6° | 119.0° |
| C4 | C5 | H5 | 121.7° | 120.5° |
| C4 | N4 | HN41 | 125.3° | 120.0° |
| C4 | N4 | HN42 | 109.4° | 120.0° |
| C6 | C5 | H5 | 121.7° | 120.5° |
| C5 | C6 | H6 | 118.2° | 120.4° |
| HN41 | N4 | HN42 | 125.3° | 120.0° |
| C2' | C1' | O4' | 102.8° | 104.9° |
| C2' | C1' | H1' | 113.0° | 110.4° |
| C1' | C2' | O2' | 109.4° | 110.8° |
| C1' | C2' | C3' | 103.3° | 104.0° |
| C1' | C2' | H2' | 115.1° | 110.5° |
| O4' | C1' | H1' | 112.6° | 110.4° |
| C1' | O4' | C4' | 107.0° | 105.3° |
| O2' | C2' | C3' | 114.1° | 110.5° |
| O2' | C2' | H2' | 104.6° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 106.8° |
| C3' | C2' | H2' | 110.6° | 110.5° |
| C2' | C3' | C4' | 104.3° | 104.0° |
| C2' | C3' | H3'2 | 112.4° | 110.6° |
| C2' | C3' | H3' | 111.2° | 110.4° |
| C4' | C3' | H3'2 | 112.3° | 110.5° |
| C4' | C3' | H3' | 111.3° | 110.5° |
| C3' | C4' | O4' | 106.5° | 104.8° |
| C3' | C4' | C5' | 105.0° | 110.5° |
| C3' | C4' | H4' | 116.2° | 110.4° |
| H3'2 | C3' | H3' | 105.5° | 110.6° |
| O4' | C4' | C5' | 115.0° | 110.4° |
| O4' | C4' | H4' | 106.5° | 110.3° |
| C5' | C4' | H4' | 108.0° | 110.3° |
| C4' | C5' | O5' | 112.4° | 109.5° |
| C4' | C5' | H5'1 | 107.8° | 109.4° |
| C4' | C5' | H5'2 | 108.5° | 109.5° |
| O5' | C5' | H5'1 | 107.9° | 109.5° |
| O5' | C5' | H5'2 | 108.5° | 109.5° |
| C5' | O5' | PA | 123.4° | 106.8° |
| H5'1 | C5' | H5'2 | 111.8° | 109.5° |
| O5' | PA | O1A | 108.3° | 109.5° |
| O5' | PA | O2A | 105.6° | 109.5° |
| O5' | PA | O3A | 105.3° | 109.5° |
| O1A | PA | O2A | 110.4° | 109.5° |
| O1A | PA | O3A | 112.5° | 109.4° |
| O2A | PA | O3A | 114.2° | 109.5° |
| PA | O2A | HOA2 | 109.5° | 106.7° |
| PA | O3A | PB | 120.8° | 106.8° |
| O3A | PB | O1B | 105.8° | 109.5° |
| O3A | PB | O2B | 110.3° | 109.5° |
| O3A | PB | O3B | 109.6° | 109.5° |
| O1B | PB | O2B | 109.9° | 109.4° |
| O1B | PB | O3B | 107.0° | 109.5° |
| O2B | PB | O3B | 113.9° | 109.5° |
| PB | O2B | HOB2 | 109.5° | 106.7° |
| PB | O3B | PG | 122.6° | 106.8° |
| O3B | PG | O1G | 124.0° | 109.4° |
| O3B | PG | O2G | 113.7° | 109.5° |
| O3B | PG | O3G | 82.2° | 109.5° |
| O1G | PG | O2G | 118.9° | 109.5° |
| O1G | PG | O3G | 81.9° | 109.5° |
| O2G | PG | O3G | 87.9° | 109.5° |
| PG | O2G | HOG2 | 109.5° | 106.8° |
| PG | O3G | HOG3 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 179.8° | 179.9° |
| N1 | C2 | N3 | O2 | 179.8° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| C2 | N1 | C6 | C5 | 0.0° | 0.4° |
| C2 | N1 | C6 | H6 | 180.0° | 180.0° |
| C2 | N1 | C1' | C2' | 79.6° | 63.4° |
| C2 | N1 | C1' | O4' | 163.7° | 52.1° |
| C2 | N1 | C1' | H1' | 42.2° | 174.3° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| C6 | N1 | C2 | O2 | 179.8° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.6° |
| N1 | C6 | C5 | H6 | 180.0° | 179.6° |
| N1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | N1 | C1' | C2' | 100.6° | 116.5° |
| C6 | N1 | C1' | O4' | 16.1° | 128.0° |
| C6 | N1 | C1' | H1' | 137.5° | 5.8° |
| C1' | N1 | C2 | N3 | 179.8° | 180.0° |
| C1' | N1 | C2 | O2 | 0.0° | 0.1° |
| C1' | N1 | C6 | C5 | 179.8° | 179.7° |
| C1' | N1 | C6 | H6 | 0.2° | 0.1° |
| N1 | C1' | C2' | O4' | 122.9° | 118.8° |
| N1 | C1' | C2' | H1' | 115.5° | 122.3° |
| N1 | C1' | O4' | H1' | 115.4° | 122.2° |
| N1 | C1' | C2' | O2' | 77.1° | 98.6° |
| N1 | C1' | C2' | C3' | 161.0° | 142.7° |
| N1 | C1' | C2' | H2' | 40.3° | 24.1° |
| N1 | C1' | O4' | C4' | 162.0° | 159.3° |
| C2 | N3 | C4 | C5 | 0.1° | 0.3° |
| C2 | N3 | C4 | N4 | 179.9° | 180.0° |
| O2 | C2 | N3 | C4 | 179.8° | 180.0° |
| N3 | C4 | C5 | N4 | 180.0° | 179.7° |
| N3 | C4 | C5 | C6 | 0.1° | 0.6° |
| N3 | C4 | C5 | H5 | 179.9° | 179.9° |
| N3 | C4 | N4 | HN41 | 180.0° | 0.0° |
| N3 | C4 | N4 | HN42 | 0.0° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.4° |
| C4 | C5 | C6 | H6 | 179.9° | 179.8° |
| C5 | C4 | N4 | HN41 | 0.0° | 179.7° |
| C5 | C4 | N4 | HN42 | 180.0° | 0.6° |
| N4 | C4 | C5 | C6 | 179.9° | 179.7° |
| N4 | C4 | C5 | H5 | 0.1° | 0.4° |
| C4 | N4 | HN41 | HN42 | 180.0° | 179.6° |
| H5 | C5 | C6 | H6 | 0.1° | 0.4° |
| C2' | C1' | O4' | H1' | 122.0° | 118.9° |
| C1' | C2' | O2' | C3' | 115.1° | 114.7° |
| C1' | C2' | O2' | H2' | 123.9° | 122.7° |
| C1' | C2' | C3' | H2' | 123.7° | 118.5° |
| C1' | C2' | O2' | HO2' | 155.1° | 176.1° |
| C1' | C2' | C3' | C4' | 22.5° | 0.1° |
| C1' | C2' | C3' | H3'2 | 144.5° | 118.6° |
| C1' | C2' | C3' | H3' | 97.5° | 118.7° |
| C2' | C1' | O4' | C4' | 39.4° | 40.5° |
| O4' | C1' | C2' | O2' | 160.0° | 142.6° |
| O4' | C1' | C2' | C3' | 38.1° | 23.9° |
| O4' | C1' | C2' | H2' | 82.6° | 94.7° |
| C1' | O4' | C4' | C3' | 25.2° | 40.5° |
| C1' | O4' | C4' | C5' | 141.1° | 159.5° |
| C1' | O4' | C4' | H4' | 99.4° | 78.4° |
| H1' | C1' | C2' | O2' | 38.3° | 23.7° |
| H1' | C1' | C2' | C3' | 83.5° | 95.0° |
| H1' | C1' | C2' | H2' | 155.7° | 146.4° |
| H1' | C1' | O4' | C4' | 82.6° | 78.5° |
| O2' | C2' | C3' | H2' | 117.6° | 122.5° |
| O2' | C2' | C3' | C4' | 141.2° | 118.8° |
| O2' | C2' | C3' | H3'2 | 96.8° | 122.5° |
| O2' | C2' | C3' | H3' | 21.2° | 0.3° |
| C3' | C2' | O2' | HO2' | 40.0° | 61.4° |
| C2' | C3' | C4' | H3'2 | 122.0° | 118.8° |
| C2' | C3' | C4' | H3' | 120.0° | 118.5° |
| C2' | C3' | H3'2 | H3' | 121.4° | 122.6° |
| C2' | C3' | C4' | O4' | 0.3° | 24.1° |
| C2' | C3' | C4' | C5' | 122.6° | 143.0° |
| C2' | C3' | C4' | H4' | 118.2° | 94.7° |
| H2' | C2' | O2' | HO2' | 81.0° | 61.1° |
| H2' | C2' | C3' | C4' | 101.2° | 118.7° |
| H2' | C2' | C3' | H3'2 | 20.7° | 0.1° |
| H2' | C2' | C3' | H3' | 138.8° | 122.8° |
| C4' | C3' | H3'2 | H3' | 121.4° | 122.7° |
| C3' | C4' | O4' | C5' | 115.8° | 118.9° |
| C3' | C4' | O4' | H4' | 124.6° | 118.9° |
| C3' | C4' | C5' | H4' | 124.6° | 122.4° |
| C3' | C4' | C5' | O5' | 116.2° | 178.1° |
| C3' | C4' | C5' | H5'1 | 2.6° | 58.1° |
| C3' | C4' | C5' | H5'2 | 123.8° | 61.9° |
| H3'2 | C3' | C4' | O4' | 121.7° | 94.7° |
| H3'2 | C3' | C4' | C5' | 0.6° | 24.2° |
| H3'2 | C3' | C4' | H4' | 119.8° | 146.5° |
| H3' | C3' | C4' | O4' | 120.3° | 142.6° |
| H3' | C3' | C4' | C5' | 117.4° | 98.6° |
| H3' | C3' | C4' | H4' | 1.8° | 23.7° |
| O4' | C4' | C5' | H4' | 118.7° | 122.2° |
| O4' | C4' | C5' | O5' | 0.5° | 66.4° |
| O4' | C4' | C5' | H5'1 | 119.2° | 173.6° |
| O4' | C4' | C5' | H5'2 | 119.5° | 53.6° |
| C4' | C5' | O5' | H5'1 | 118.8° | 120.0° |
| C4' | C5' | O5' | H5'2 | 120.0° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 119.2° | 120.0° |
| C4' | C5' | O5' | PA | 142.2° | 180.0° |
| H4' | C4' | C5' | O5' | 119.2° | 55.7° |
| H4' | C4' | C5' | H5'1 | 122.0° | 64.3° |
| H4' | C4' | C5' | H5'2 | 0.8° | 175.8° |
| O5' | C5' | H5'1 | H5'2 | 119.2° | 120.0° |
| C5' | O5' | PA | O1A | 79.7° | 55.0° |
| C5' | O5' | PA | O2A | 162.1° | 65.0° |
| C5' | O5' | PA | O3A | 40.9° | 175.0° |
| H5'1 | C5' | O5' | PA | 23.5° | 60.0° |
| H5'2 | C5' | O5' | PA | 97.8° | 60.0° |
| O5' | PA | O1A | O2A | 115.1° | 120.1° |
| O5' | PA | O1A | O3A | 116.0° | 120.0° |
| O5' | PA | O2A | O3A | 115.2° | 120.0° |
| O5' | PA | O2A | HOA2 | 40.9° | 60.0° |
| O5' | PA | O3A | PB | 128.8° | 160.0° |
| O1A | PA | O2A | O3A | 128.0° | 119.9° |
| O1A | PA | O2A | HOA2 | 75.9° | 180.0° |
| O1A | PA | O3A | PB | 11.1° | 40.0° |
| O2A | PA | O3A | PB | 115.8° | 80.0° |
| O3A | PA | O2A | HOA2 | 156.1° | 60.1° |
| PA | O3A | PB | O1B | 179.7° | 45.0° |
| PA | O3A | PB | O2B | 60.9° | 74.9° |
| PA | O3A | PB | O3B | 65.2° | 165.0° |
| O3A | PB | O1B | O2B | 119.0° | 120.0° |
| O3A | PB | O1B | O3B | 116.8° | 120.0° |
| O3A | PB | O2B | O3B | 123.7° | 120.0° |
| O3A | PB | O2B | HOB2 | 150.6° | 60.1° |
| O3A | PB | O3B | PG | 157.4° | 160.0° |
| O1B | PB | O2B | O3B | 120.1° | 120.0° |
| O1B | PB | O2B | HOB2 | 34.3° | 179.9° |
| O1B | PB | O3B | PG | 88.4° | 40.0° |
| O2B | PB | O3B | PG | 33.3° | 80.0° |
| O3B | PB | O2B | HOB2 | 85.8° | 60.0° |
| PB | O3B | PG | O1G | 21.1° | 45.0° |
| PB | O3B | PG | O2G | 179.9° | 165.0° |
| PB | O3B | PG | O3G | 95.8° | 75.0° |
| O3B | PG | O1G | O2G | 158.0° | 120.0° |
| O3B | PG | O1G | O3G | 74.9° | 120.0° |
| O3B | PG | O2G | O3G | 80.6° | 120.0° |
| O3B | PG | O2G | HOG2 | 55.9° | 180.0° |
| O3B | PG | O3G | HOG3 | 109.1° | 60.0° |
| O1G | PG | O2G | O3G | 79.6° | 120.0° |
| O1G | PG | O2G | HOG2 | 104.3° | 60.0° |
| O1G | PG | O3G | HOG3 | 17.0° | 179.9° |
| O2G | PG | O3G | HOG3 | 136.6° | 60.0° |
| O3G | PG | O2G | HOG2 | 24.7° | 60.0° |
