CXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3G | PG | doub | 1.48Å | 1.47Å | |
| O1G | PG | sing | 1.61Å | 1.48Å | |
| PG | O3B | sing | 1.61Å | 1.70Å | |
| PG | O2G | sing | 1.61Å | 1.47Å | |
| O3B | PB | sing | 1.61Å | 1.72Å | |
| O2B | PB | doub | 1.48Å | 1.50Å | |
| PB | O1B | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.63Å | |
| O2A | PA | doub | 1.48Å | 1.48Å | |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| O3A | PA | sing | 1.61Å | 1.60Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| PA | O5' | sing | 1.61Å | 1.67Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.48Å | |
| C3' | C4' | sing | 1.54Å | 1.59Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C1' | O4' | sing | 1.44Å | 1.51Å | |
| C1' | N9 | sing | 1.46Å | 1.53Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.33Å | Aromatic |
| C2 | N2 | sing | 1.39Å | 1.34Å | |
| C2 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.32Å | |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| O2' | H6 | sing | 0.97Å | 0.95Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| O1A | H14 | sing | 0.97Å | 0.95Å | |
| O1B | H15 | sing | 0.97Å | 0.95Å | |
| O1G | H16 | sing | 0.97Å | 0.95Å | |
| O2G | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3G | PG | O1G | 117.0° | 109.5° |
| O3G | PG | O3B | 97.3° | 109.5° |
| O3G | PG | O2G | 118.5° | 109.5° |
| O1G | PG | O3B | 98.9° | 109.5° |
| O1G | PG | O2G | 118.4° | 109.5° |
| PG | O1G | H16 | 109.5° | 114.0° |
| O3B | PG | O2G | 98.6° | 109.5° |
| PG | O3B | PB | 134.6° | 134.0° |
| PG | O2G | H17 | 109.5° | 114.0° |
| O3B | PB | O2B | 115.9° | 109.5° |
| O3B | PB | O1B | 106.2° | 109.5° |
| O3B | PB | O3A | 103.3° | 109.5° |
| O2B | PB | O1B | 118.4° | 109.5° |
| O2B | PB | O3A | 102.4° | 109.4° |
| O1B | PB | O3A | 109.5° | 109.5° |
| PB | O1B | H15 | 109.5° | 113.9° |
| PB | O3A | PA | 114.4° | 134.0° |
| O2A | PA | O3A | 105.2° | 109.4° |
| O2A | PA | O1A | 119.9° | 109.5° |
| O2A | PA | O5' | 106.5° | 109.5° |
| O3' | C3' | C2' | 107.9° | 110.5° |
| O3' | C3' | C4' | 113.2° | 110.5° |
| O3' | C3' | H7 | 110.9° | 110.6° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| O3A | PA | O1A | 104.7° | 109.5° |
| O3A | PA | O5' | 107.3° | 109.5° |
| O1A | PA | O5' | 112.4° | 109.4° |
| PA | O1A | H14 | 109.5° | 114.0° |
| PA | O5' | C5' | 114.4° | 123.0° |
| O2' | C2' | C3' | 107.0° | 111.0° |
| O2' | C2' | C1' | 110.8° | 110.9° |
| O2' | C2' | H5 | 114.4° | 110.8° |
| C2' | O2' | H6 | 109.5° | 114.0° |
| C2' | C3' | C4' | 105.1° | 104.2° |
| C3' | C2' | C1' | 96.4° | 102.1° |
| C3' | C2' | H5 | 113.7° | 110.9° |
| C2' | C3' | H7 | 110.5° | 110.5° |
| C3' | C4' | C5' | 115.0° | 109.9° |
| C3' | C4' | O4' | 100.3° | 107.3° |
| C3' | C4' | H3 | 109.6° | 110.0° |
| C4' | C3' | H7 | 109.0° | 110.5° |
| C2' | C1' | O4' | 99.8° | 103.5° |
| C2' | C1' | N9 | 110.3° | 110.6° |
| C2' | C1' | H4 | 107.9° | 110.7° |
| C1' | C2' | H5 | 113.1° | 110.9° |
| O5' | C5' | C4' | 117.3° | 109.5° |
| O5' | C5' | H1 | 107.5° | 109.5° |
| O5' | C5' | H2 | 107.5° | 109.4° |
| C5' | C4' | O4' | 110.4° | 109.9° |
| C4' | C5' | H1 | 107.5° | 109.5° |
| C4' | C5' | H2 | 107.5° | 109.5° |
| C5' | C4' | H3 | 110.0° | 109.9° |
| C4' | O4' | C1' | 107.7° | 107.0° |
| O4' | C4' | H3 | 111.3° | 109.9° |
| O4' | C1' | N9 | 122.4° | 110.6° |
| O4' | C1' | H4 | 107.9° | 110.6° |
| C1' | N9 | C8 | 132.3° | 126.3° |
| C1' | N9 | C4 | 122.1° | 126.2° |
| N9 | C1' | H4 | 107.7° | 110.6° |
| C8 | N9 | C4 | 105.6° | 107.5° |
| N9 | C8 | N7 | 110.0° | 109.9° |
| N9 | C8 | H9 | 125.0° | 125.0° |
| N9 | C4 | N3 | 132.1° | 134.8° |
| N9 | C4 | C5 | 109.5° | 106.0° |
| C8 | N7 | C5 | 107.4° | 109.5° |
| N7 | C8 | H9 | 125.0° | 125.1° |
| N3 | C4 | C5 | 118.5° | 119.2° |
| C4 | N3 | C2 | 121.5° | 120.5° |
| C4 | C5 | N7 | 107.6° | 107.1° |
| C4 | C5 | C6 | 120.2° | 118.3° |
| N7 | C5 | C6 | 132.2° | 134.6° |
| N3 | C2 | N2 | 118.9° | 118.8° |
| N3 | C2 | N1 | 119.4° | 122.3° |
| C5 | C6 | N1 | 122.0° | 118.6° |
| C5 | C6 | N6 | 115.6° | 120.7° |
| N2 | C2 | N1 | 121.6° | 118.9° |
| C2 | N2 | H10 | 109.5° | 119.9° |
| C2 | N2 | H11 | 109.4° | 120.0° |
| C2 | N1 | C6 | 118.5° | 121.1° |
| N1 | C6 | N6 | 122.4° | 120.7° |
| C6 | N6 | H12 | 109.5° | 120.0° |
| C6 | N6 | H13 | 109.5° | 120.0° |
| H1 | C5' | H2 | 109.4° | 109.5° |
| H10 | N2 | H11 | 109.5° | 120.0° |
| H12 | N6 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3G | PG | O1G | O3B | 103.0° | 120.0° |
| O3G | PG | O1G | O2G | 152.1° | 120.0° |
| O3G | PG | O3B | O2G | 120.4° | 120.0° |
| O3G | PG | O3B | PB | 83.4° | 45.0° |
| O3G | PG | O1G | H16 | 0.0° | 60.0° |
| O3G | PG | O2G | H17 | 0.0° | 180.0° |
| O1G | PG | O3B | O2G | 120.7° | 120.0° |
| O1G | PG | O3B | PB | 157.7° | 165.0° |
| O1G | PG | O2G | H17 | 151.7° | 60.0° |
| PG | O3B | PB | O2B | 61.6° | 45.0° |
| PG | O3B | PB | O1B | 164.7° | 75.0° |
| PG | O3B | PB | O3A | 49.5° | 165.0° |
| O3B | PG | O1G | H16 | 103.0° | 180.0° |
| O3B | PG | O2G | H17 | 103.2° | 60.0° |
| O2G | PG | O3B | PB | 37.0° | 75.0° |
| O2G | PG | O1G | H16 | 152.1° | 60.0° |
| O3B | PB | O2B | O1B | 127.9° | 120.0° |
| O3B | PB | O2B | O3A | 111.7° | 120.0° |
| O3B | PB | O1B | O3A | 110.9° | 120.1° |
| O3B | PB | O3A | PA | 115.6° | 160.0° |
| O3B | PB | O1B | H15 | 132.4° | 60.0° |
| O2B | PB | O1B | O3A | 116.7° | 120.0° |
| O2B | PB | O3A | PA | 5.2° | 40.0° |
| O2B | PB | O1B | H15 | 0.0° | 180.0° |
| O1B | PB | O3A | PA | 131.6° | 79.9° |
| PB | O3A | PA | O2A | 61.5° | 45.0° |
| PB | O3A | PA | O1A | 65.7° | 75.0° |
| PB | O3A | PA | O5' | 174.7° | 165.1° |
| O3A | PB | O1B | H15 | 116.7° | 60.0° |
| O2A | PA | O3A | O1A | 127.2° | 120.0° |
| O2A | PA | O3A | O5' | 113.2° | 120.1° |
| O2A | PA | O1A | O5' | 126.3° | 120.0° |
| O2A | PA | O5' | C5' | 103.0° | 55.0° |
| O2A | PA | O1A | H14 | 0.0° | 179.9° |
| O3' | C3' | C2' | O2' | 55.2° | 20.4° |
| O3' | C3' | C2' | C4' | 121.1° | 118.7° |
| O3' | C3' | C2' | H7 | 121.4° | 122.7° |
| O3' | C3' | C4' | H7 | 124.0° | 122.6° |
| O3' | C3' | C2' | C1' | 169.2° | 97.8° |
| O3' | C3' | C4' | C5' | 100.1° | 119.9° |
| O3' | C3' | C4' | O4' | 141.6° | 120.7° |
| O3' | C3' | C4' | H3 | 24.4° | 1.2° |
| O3' | C3' | C2' | H5 | 72.1° | 144.1° |
| O3A | PA | O1A | O5' | 116.1° | 120.0° |
| O3A | PA | O5' | C5' | 144.7° | 175.0° |
| O3A | PA | O1A | H14 | 117.6° | 60.0° |
| O1A | PA | O5' | C5' | 30.2° | 65.0° |
| PA | O5' | C5' | C4' | 74.1° | 179.9° |
| PA | O5' | C5' | H1 | 164.7° | 60.0° |
| PA | O5' | C5' | H2 | 47.0° | 60.0° |
| O5' | PA | O1A | H14 | 126.3° | 60.0° |
| O2' | C2' | C3' | C1' | 114.1° | 118.2° |
| O2' | C2' | C3' | H5 | 127.2° | 123.6° |
| O2' | C2' | C3' | C4' | 65.9° | 139.1° |
| O2' | C2' | C1' | H5 | 129.9° | 123.6° |
| O2' | C2' | C1' | O4' | 57.7° | 155.3° |
| O2' | C2' | C1' | N9 | 172.3° | 86.2° |
| O2' | C2' | C1' | H4 | 54.8° | 36.7° |
| O2' | C2' | C3' | H7 | 176.6° | 102.3° |
| C2' | C3' | C4' | H7 | 118.5° | 118.7° |
| C3' | C2' | C1' | H5 | 119.1° | 118.2° |
| C2' | C3' | C4' | C5' | 142.3° | 121.4° |
| C2' | C3' | C4' | O4' | 24.0° | 2.0° |
| C3' | C2' | C1' | O4' | 53.2° | 37.0° |
| C3' | C2' | C1' | N9 | 76.8° | 155.5° |
| C2' | C3' | C4' | H3 | 93.1° | 117.4° |
| C3' | C2' | C1' | H4 | 165.8° | 81.5° |
| C3' | C2' | O2' | H6 | 180.0° | 67.3° |
| C2' | C3' | O3' | H8 | 175.9° | 61.5° |
| C4' | C3' | C2' | C1' | 48.2° | 20.9° |
| C3' | C4' | C5' | O5' | 79.6° | 175.7° |
| C3' | C4' | C5' | O4' | 112.5° | 117.8° |
| C3' | C4' | C5' | H3 | 124.3° | 121.2° |
| C3' | C4' | O4' | H3 | 115.9° | 119.5° |
| C3' | C4' | O4' | C1' | 10.7° | 26.5° |
| C3' | C4' | C5' | H1 | 159.2° | 64.3° |
| C3' | C4' | C5' | H2 | 41.5° | 55.8° |
| C4' | C3' | C2' | H5 | 166.9° | 97.3° |
| C4' | C3' | O3' | H8 | 60.0° | 176.3° |
| C2' | C1' | O4' | C4' | 40.9° | 40.0° |
| C2' | C1' | O4' | N9 | 121.7° | 118.5° |
| C2' | C1' | O4' | H4 | 112.6° | 118.6° |
| C2' | C1' | N9 | H4 | 117.5° | 123.0° |
| C2' | C1' | N9 | C8 | 80.4° | 90.6° |
| C2' | C1' | N9 | C4 | 99.8° | 89.5° |
| C1' | C2' | O2' | H6 | 76.1° | 180.0° |
| C1' | C2' | C3' | H7 | 69.3° | 139.5° |
| O5' | C5' | C4' | H1 | 121.1° | 120.0° |
| O5' | C5' | C4' | H2 | 121.1° | 119.9° |
| O5' | C5' | C4' | O4' | 167.9° | 66.5° |
| O5' | C5' | H1 | H2 | 116.4° | 119.9° |
| O5' | C5' | C4' | H3 | 44.7° | 54.5° |
| C5' | C4' | O4' | H3 | 122.4° | 121.0° |
| C5' | C4' | O4' | C1' | 110.9° | 145.9° |
| C4' | C5' | H1 | H2 | 116.5° | 120.0° |
| C5' | C4' | C3' | H7 | 23.8° | 2.7° |
| C4' | O4' | C1' | N9 | 80.8° | 158.5° |
| O4' | C4' | C5' | H1 | 46.7° | 53.6° |
| O4' | C4' | C5' | H2 | 71.0° | 173.6° |
| C4' | O4' | C1' | H4 | 153.5° | 78.6° |
| O4' | C4' | C3' | H7 | 94.5° | 116.7° |
| O4' | C1' | N9 | H4 | 125.8° | 122.9° |
| O4' | C1' | N9 | C8 | 36.3° | 23.5° |
| O4' | C1' | N9 | C4 | 143.5° | 156.4° |
| C1' | O4' | C4' | H3 | 126.6° | 93.1° |
| O4' | C1' | C2' | H5 | 172.4° | 81.2° |
| C1' | N9 | C8 | C4 | 179.8° | 179.9° |
| C1' | N9 | C8 | N7 | 180.0° | 180.0° |
| C1' | N9 | C4 | N3 | 0.6° | 0.0° |
| C1' | N9 | C4 | C5 | 179.7° | 180.0° |
| N9 | C1' | C2' | H5 | 42.3° | 37.3° |
| C1' | N9 | C8 | H9 | 0.0° | 0.1° |
| N9 | C8 | N7 | H9 | 180.0° | 179.9° |
| C8 | N9 | C4 | N3 | 179.2° | 180.0° |
| C8 | N9 | C4 | C5 | 0.5° | 0.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C1' | H4 | 162.0° | 146.4° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| N9 | C4 | N3 | C5 | 179.6° | 180.0° |
| N9 | C4 | C5 | N7 | 0.5° | 0.0° |
| N9 | C4 | N3 | C2 | 179.3° | 180.0° |
| N9 | C4 | C5 | C6 | 179.7° | 180.0° |
| C4 | N9 | C1' | H4 | 17.7° | 33.5° |
| C4 | N9 | C8 | H9 | 179.8° | 179.9° |
| C8 | N7 | C5 | C4 | 0.3° | 0.0° |
| C8 | N7 | C5 | C6 | 179.9° | 179.9° |
| N3 | C4 | C5 | N7 | 179.2° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | N3 | C2 | N2 | 179.6° | 180.0° |
| C4 | N3 | C2 | N1 | 0.8° | 0.0° |
| C4 | C5 | N7 | C6 | 179.8° | 179.9° |
| C5 | C4 | N3 | C2 | 1.1° | 0.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| N7 | C5 | C6 | N1 | 179.8° | 180.0° |
| N7 | C5 | C6 | N6 | 0.2° | 0.1° |
| C5 | N7 | C8 | H9 | 179.9° | 179.9° |
| N3 | C2 | N2 | N1 | 179.6° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| N3 | C2 | N2 | H10 | 0.0° | 180.0° |
| N3 | C2 | N2 | H11 | 120.0° | 0.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.0° |
| C5 | C6 | N1 | N6 | 180.0° | 180.0° |
| C5 | C6 | N6 | H12 | 180.0° | 180.0° |
| C5 | C6 | N6 | H13 | 60.0° | 0.1° |
| N2 | C2 | N1 | C6 | 179.7° | 180.0° |
| C2 | N2 | H10 | H11 | 120.0° | 180.0° |
| C2 | N1 | C6 | N6 | 179.7° | 180.0° |
| N1 | C2 | N2 | H10 | 179.5° | 0.0° |
| N1 | C2 | N2 | H11 | 59.6° | 180.0° |
| N1 | C6 | N6 | H12 | 0.0° | 0.0° |
| N1 | C6 | N6 | H13 | 120.0° | 180.0° |
| C6 | N6 | H12 | H13 | 120.0° | 179.9° |
| H1 | C5' | C4' | H3 | 76.5° | 174.5° |
| H2 | C5' | C4' | H3 | 165.8° | 65.4° |
| H3 | C4' | C3' | H7 | 148.3° | 123.9° |
| H4 | C1' | C2' | H5 | 75.1° | 160.3° |
| H5 | C2' | O2' | H6 | 53.2° | 56.4° |
| H5 | C2' | C3' | H7 | 49.4° | 21.4° |
| H7 | C3' | O3' | H8 | 62.9° | 61.1° |
