XC5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | |
| C2 | N1 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | C3' | sing | 1.54Å | 1.55Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| C4 | N4 | sing | 1.38Å | 1.37Å | |
| C4 | C5 | sing | 1.41Å | 1.40Å | |
| C3' | C4' | sing | 1.54Å | 1.55Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C6 | C5 | doub | 1.35Å | 1.37Å | |
| O1B | PB | doub | 1.48Å | 1.49Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O5' | PA | sing | 1.61Å | 1.56Å | |
| PB | O2B | sing | 1.61Å | 1.59Å | |
| PB | C3A | sing | 1.82Å | 1.82Å | |
| PB | O3B | sing | 1.61Å | 1.59Å | |
| C3A | PA | sing | 1.82Å | 1.81Å | |
| O3B | PG | sing | 1.61Å | 1.59Å | |
| PA | O2A | doub | 1.48Å | 1.47Å | |
| PA | O1A | sing | 1.61Å | 1.60Å | |
| PG | O2G | doub | 1.48Å | 1.60Å | |
| PG | O1G | sing | 1.61Å | 1.48Å | |
| PG | O3G | sing | 1.61Å | 1.59Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| C3A | H2 | sing | 1.09Å | 1.10Å | |
| C3A | H3 | sing | 1.09Å | 1.10Å | |
| O2B | H4 | sing | 0.97Å | 0.95Å | |
| O1G | H5 | sing | 0.97Å | 0.95Å | |
| O3G | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| C1' | H11 | sing | 1.09Å | 1.10Å | |
| C2' | H12 | sing | 1.09Å | 1.10Å | |
| C2' | H13 | sing | 1.09Å | 1.10Å | |
| C3' | H14 | sing | 1.09Å | 1.10Å | |
| C4' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å | |
| C5' | H17 | sing | 1.09Å | 1.10Å | |
| O3' | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 120.8° | 119.5° |
| O2 | C2 | N1 | 117.7° | 119.5° |
| N3 | C2 | N1 | 121.5° | 121.0° |
| C2 | N3 | C4 | 120.4° | 120.7° |
| C2 | N1 | C1' | 119.2° | 119.8° |
| C2 | N1 | C6 | 119.6° | 120.4° |
| N3 | C4 | N4 | 120.8° | 120.2° |
| N3 | C4 | C5 | 119.4° | 119.6° |
| C1' | C2' | C3' | 102.1° | 104.1° |
| C2' | C1' | N1 | 109.0° | 110.4° |
| C2' | C1' | O4' | 106.1° | 104.8° |
| C2' | C1' | H11 | 109.7° | 110.4° |
| C1' | C2' | H12 | 111.3° | 110.6° |
| C1' | C2' | H13 | 111.3° | 110.5° |
| C2' | C3' | O3' | 110.2° | 110.5° |
| C2' | C3' | C4' | 99.1° | 104.1° |
| C3' | C2' | H12 | 111.3° | 110.5° |
| C3' | C2' | H13 | 111.3° | 110.5° |
| C2' | C3' | H14 | 110.5° | 110.6° |
| N1 | C1' | O4' | 110.1° | 110.4° |
| C1' | N1 | C6 | 121.3° | 119.8° |
| N1 | C1' | H11 | 110.5° | 110.3° |
| C1' | O4' | C4' | 110.4° | 105.3° |
| O4' | C1' | H11 | 111.3° | 110.4° |
| N1 | C6 | C5 | 119.9° | 119.3° |
| N1 | C6 | H8 | 120.1° | 120.4° |
| O3' | C3' | C4' | 114.0° | 110.5° |
| O3' | C3' | H14 | 112.0° | 110.5° |
| C3' | O3' | H18 | 109.5° | 114.0° |
| N4 | C4 | C5 | 119.8° | 120.2° |
| C4 | N4 | H9 | 120.0° | 120.0° |
| C4 | N4 | H10 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.3° | 119.0° |
| C4 | C5 | H7 | 120.4° | 120.5° |
| C3' | C4' | O4' | 102.0° | 104.8° |
| C3' | C4' | C5' | 111.0° | 110.4° |
| C4' | C3' | H14 | 110.4° | 110.5° |
| C3' | C4' | H15 | 110.6° | 110.4° |
| O4' | C4' | C5' | 109.9° | 110.4° |
| O4' | C4' | H15 | 112.2° | 110.4° |
| C4' | C5' | O5' | 108.2° | 109.5° |
| C5' | C4' | H15 | 110.9° | 110.3° |
| C4' | C5' | H16 | 109.8° | 109.5° |
| C4' | C5' | H17 | 109.8° | 109.5° |
| C6 | C5 | H7 | 120.3° | 120.5° |
| C5 | C6 | H8 | 120.0° | 120.3° |
| O1B | PB | O2B | 111.0° | 109.5° |
| O1B | PB | C3A | 110.2° | 109.5° |
| O1B | PB | O3B | 107.7° | 109.5° |
| C5' | O5' | PA | 126.1° | 123.0° |
| O5' | C5' | H16 | 109.8° | 109.4° |
| O5' | C5' | H17 | 109.8° | 109.4° |
| O5' | PA | C3A | 108.1° | 109.5° |
| O5' | PA | O2A | 111.9° | 109.5° |
| O5' | PA | O1A | 110.1° | 109.5° |
| O2B | PB | C3A | 113.1° | 109.4° |
| O2B | PB | O3B | 108.5° | 109.5° |
| PB | O2B | H4 | 109.5° | 114.0° |
| C3A | PB | O3B | 106.0° | 109.5° |
| PB | C3A | PA | 116.2° | 109.5° |
| PB | C3A | H2 | 107.7° | 109.4° |
| PB | C3A | H3 | 107.8° | 109.5° |
| PB | O3B | PG | 125.8° | 134.0° |
| C3A | PA | O2A | 106.0° | 109.4° |
| C3A | PA | O1A | 112.2° | 109.5° |
| PA | C3A | H2 | 107.8° | 109.5° |
| PA | C3A | H3 | 107.7° | 109.5° |
| O3B | PG | O2G | 108.9° | 109.5° |
| O3B | PG | O1G | 105.0° | 109.5° |
| O3B | PG | O3G | 109.8° | 109.5° |
| O2A | PA | O1A | 108.6° | 109.5° |
| PA | O1A | H1 | 109.5° | 114.0° |
| O2G | PG | O1G | 113.2° | 109.4° |
| O2G | PG | O3G | 109.9° | 109.5° |
| O1G | PG | O3G | 109.9° | 109.5° |
| PG | O1G | H5 | 109.5° | 114.0° |
| PG | O3G | H6 | 109.5° | 113.9° |
| H2 | C3A | H3 | 109.4° | 109.5° |
| H9 | N4 | H10 | 120.0° | 120.0° |
| H12 | C2' | H13 | 109.4° | 110.5° |
| H16 | C5' | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.0° | 180.0° |
| O2 | C2 | N3 | C4 | 179.1° | 180.0° |
| O2 | C2 | N1 | C1' | 0.7° | 0.3° |
| O2 | C2 | N1 | C6 | 179.4° | 180.0° |
| N3 | C2 | N1 | C1' | 179.7° | 179.8° |
| N3 | C2 | N1 | C6 | 0.4° | 0.0° |
| C2 | N3 | C4 | N4 | 179.7° | 180.0° |
| C2 | N3 | C4 | C5 | 0.5° | 0.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C1' | C2' | 93.5° | 61.6° |
| C2 | N1 | C1' | C6 | 180.0° | 179.7° |
| C2 | N1 | C1' | O4' | 150.5° | 53.8° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | H8 | 180.0° | 180.0° |
| C2 | N1 | C1' | H11 | 27.2° | 176.1° |
| N3 | C4 | N4 | C5 | 179.8° | 179.9° |
| N3 | C4 | C5 | C6 | 0.8° | 0.1° |
| N3 | C4 | C5 | H7 | 179.1° | 180.0° |
| N3 | C4 | N4 | H9 | 0.0° | 0.1° |
| N3 | C4 | N4 | H10 | 180.0° | 180.0° |
| C1' | C2' | C3' | H12 | 118.8° | 118.7° |
| C1' | C2' | C3' | H13 | 118.8° | 118.6° |
| C2' | C1' | N1 | O4' | 116.0° | 115.4° |
| C2' | C1' | N1 | H11 | 120.7° | 122.3° |
| C2' | C1' | O4' | H11 | 119.3° | 118.9° |
| C2' | C1' | N1 | C6 | 86.6° | 118.2° |
| C1' | C2' | C3' | O3' | 160.5° | 118.7° |
| C1' | C2' | C3' | C4' | 40.6° | 0.0° |
| C2' | C1' | O4' | C4' | 3.8° | 40.5° |
| C1' | C2' | H12 | H13 | 123.4° | 122.7° |
| C1' | C2' | C3' | H14 | 75.3° | 118.6° |
| C3' | C2' | C1' | N1 | 94.3° | 142.8° |
| C3' | C2' | C1' | O4' | 24.3° | 23.9° |
| C2' | C3' | O3' | C4' | 110.4° | 114.7° |
| C2' | C3' | O3' | H14 | 123.4° | 122.7° |
| C2' | C3' | C4' | H14 | 115.9° | 118.7° |
| C2' | C3' | C4' | O4' | 43.2° | 24.0° |
| C2' | C3' | C4' | C5' | 160.2° | 142.8° |
| C3' | C2' | C1' | H11 | 144.6° | 94.9° |
| C3' | C2' | H12 | H13 | 123.5° | 122.6° |
| C2' | C3' | C4' | H15 | 76.3° | 94.9° |
| C2' | C3' | O3' | H18 | 143.0° | 61.4° |
| N1 | C1' | O4' | H11 | 122.9° | 122.3° |
| N1 | C1' | O4' | C4' | 121.7° | 159.3° |
| C1' | N1 | C6 | C5 | 180.0° | 179.7° |
| C1' | N1 | C6 | H8 | 0.0° | 0.2° |
| N1 | C1' | C2' | H12 | 146.9° | 98.5° |
| N1 | C1' | C2' | H13 | 24.6° | 24.2° |
| O4' | C1' | N1 | C6 | 29.4° | 126.5° |
| C1' | O4' | C4' | C3' | 30.2° | 40.5° |
| C1' | O4' | C4' | C5' | 148.0° | 159.3° |
| O4' | C1' | C2' | H12 | 94.6° | 142.6° |
| O4' | C1' | C2' | H13 | 143.1° | 94.7° |
| C1' | O4' | C4' | H15 | 88.1° | 78.4° |
| N1 | C6 | C5 | C4 | 0.6° | 0.1° |
| N1 | C6 | C5 | H8 | 180.0° | 179.9° |
| N1 | C6 | C5 | H7 | 179.4° | 179.9° |
| C6 | N1 | C1' | H11 | 152.7° | 4.2° |
| O3' | C3' | C4' | H14 | 127.1° | 122.6° |
| O3' | C3' | C4' | O4' | 160.1° | 142.6° |
| O3' | C3' | C4' | C5' | 82.8° | 98.5° |
| O3' | C3' | C2' | H12 | 41.7° | 0.0° |
| O3' | C3' | C2' | H13 | 80.7° | 122.7° |
| O3' | C3' | C4' | H15 | 40.7° | 23.7° |
| N4 | C4 | C5 | C6 | 179.3° | 180.0° |
| N4 | C4 | C5 | H7 | 0.7° | 0.0° |
| C4 | N4 | H9 | H10 | 180.0° | 179.9° |
| C4 | C5 | C6 | H7 | 180.0° | 179.9° |
| C4 | C5 | C6 | H8 | 179.4° | 180.0° |
| C5 | C4 | N4 | H9 | 179.8° | 180.0° |
| C5 | C4 | N4 | H10 | 0.2° | 0.1° |
| C3' | C4' | O4' | C5' | 117.8° | 118.9° |
| C3' | C4' | O4' | H15 | 118.3° | 118.9° |
| C3' | C4' | C5' | H15 | 123.3° | 122.3° |
| C3' | C4' | C5' | O5' | 51.8° | 175.0° |
| C4' | C3' | C2' | H12 | 78.2° | 118.7° |
| C4' | C3' | C2' | H13 | 159.5° | 118.7° |
| C3' | C4' | C5' | H16 | 171.6° | 55.0° |
| C3' | C4' | C5' | H17 | 68.0° | 65.0° |
| C4' | C3' | O3' | H18 | 106.6° | 176.1° |
| O4' | C4' | C5' | H15 | 124.6° | 122.3° |
| O4' | C4' | C5' | O5' | 60.3° | 69.6° |
| C4' | O4' | C1' | H11 | 115.5° | 78.4° |
| O4' | C4' | C3' | H14 | 72.8° | 94.7° |
| O4' | C4' | C5' | H16 | 59.6° | 170.4° |
| O4' | C4' | C5' | H17 | 179.9° | 50.4° |
| C4' | C5' | O5' | H16 | 119.8° | 120.0° |
| C4' | C5' | O5' | H17 | 119.8° | 120.0° |
| C4' | C5' | O5' | PA | 151.6° | 180.0° |
| C5' | C4' | C3' | H14 | 44.3° | 24.1° |
| C4' | C5' | H16 | H17 | 120.6° | 120.0° |
| O1B | PB | O2B | C3A | 124.5° | 120.0° |
| O1B | PB | O2B | O3B | 118.2° | 120.0° |
| O1B | PB | C3A | O3B | 116.3° | 120.1° |
| O1B | PB | C3A | PA | 114.0° | 60.0° |
| O1B | PB | O3B | PG | 178.2° | 60.0° |
| O1B | PB | C3A | H2 | 125.0° | 60.0° |
| O1B | PB | C3A | H3 | 7.0° | 180.0° |
| O1B | PB | O2B | H4 | 0.0° | 180.0° |
| C5' | O5' | PA | C3A | 95.3° | 175.0° |
| C5' | O5' | PA | O2A | 148.3° | 55.0° |
| C5' | O5' | PA | O1A | 27.5° | 65.0° |
| O5' | C5' | C4' | H15 | 175.1° | 52.7° |
| O5' | C5' | H16 | H17 | 120.6° | 119.9° |
| O5' | PA | C3A | PB | 75.9° | 180.0° |
| O5' | PA | C3A | O2A | 120.1° | 120.0° |
| O5' | PA | C3A | O1A | 121.5° | 120.0° |
| O5' | PA | O2A | O1A | 121.6° | 120.0° |
| O5' | PA | O1A | H1 | 122.8° | 60.0° |
| O5' | PA | C3A | H2 | 163.1° | 60.0° |
| O5' | PA | C3A | H3 | 45.1° | 60.0° |
| PA | O5' | C5' | H16 | 88.7° | 59.9° |
| PA | O5' | C5' | H17 | 31.7° | 60.0° |
| O2B | PB | C3A | O3B | 118.8° | 120.0° |
| O2B | PB | C3A | PA | 10.9° | 60.0° |
| O2B | PB | O3B | PG | 57.9° | 60.1° |
| O2B | PB | C3A | H2 | 110.1° | 180.0° |
| O2B | PB | C3A | H3 | 131.9° | 60.1° |
| PB | C3A | PA | H2 | 121.0° | 120.0° |
| PB | C3A | PA | H3 | 121.0° | 120.0° |
| C3A | PB | O3B | PG | 63.9° | 180.0° |
| PB | C3A | PA | O2A | 164.0° | 60.0° |
| PB | C3A | PA | O1A | 45.6° | 60.0° |
| PB | C3A | H2 | H3 | 116.9° | 120.0° |
| C3A | PB | O2B | H4 | 124.5° | 60.0° |
| O3B | PB | C3A | PA | 129.7° | 180.0° |
| PB | O3B | PG | O2G | 131.3° | 40.1° |
| PB | O3B | PG | O1G | 9.8° | 160.0° |
| PB | O3B | PG | O3G | 108.3° | 80.0° |
| O3B | PB | C3A | H2 | 8.7° | 60.1° |
| O3B | PB | C3A | H3 | 109.3° | 59.9° |
| O3B | PB | O2B | H4 | 118.2° | 59.9° |
| C3A | PA | O2A | O1A | 120.8° | 120.0° |
| C3A | PA | O1A | H1 | 116.9° | 60.0° |
| PA | C3A | H2 | H3 | 116.9° | 120.0° |
| O3B | PG | O2G | O1G | 116.4° | 120.0° |
| O3B | PG | O2G | O3G | 120.3° | 120.0° |
| O3B | PG | O1G | O3G | 118.0° | 120.0° |
| O3B | PG | O1G | H5 | 118.7° | 180.0° |
| O3B | PG | O3G | H6 | 119.7° | 59.9° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| O2A | PA | C3A | H2 | 43.0° | 180.0° |
| O2A | PA | C3A | H3 | 75.0° | 60.0° |
| O1A | PA | C3A | H2 | 75.4° | 60.0° |
| O1A | PA | C3A | H3 | 166.6° | 180.0° |
| O2G | PG | O1G | O3G | 123.3° | 120.0° |
| O2G | PG | O1G | H5 | 0.0° | 60.1° |
| O2G | PG | O3G | H6 | 0.0° | 180.0° |
| O1G | PG | O3G | H6 | 125.3° | 60.0° |
| O3G | PG | O1G | H5 | 123.3° | 59.9° |
| H7 | C5 | C6 | H8 | 0.6° | 0.0° |
| H11 | C1' | C2' | H12 | 25.7° | 23.8° |
| H11 | C1' | C2' | H13 | 96.6° | 146.5° |
| H12 | C2' | C3' | H14 | 165.9° | 122.7° |
| H13 | C2' | C3' | H14 | 43.6° | 0.0° |
| H14 | C3' | C4' | H15 | 167.8° | 146.4° |
| H14 | C3' | O3' | H18 | 19.6° | 61.3° |
| H15 | C4' | C5' | H16 | 65.1° | 67.3° |
| H15 | C4' | C5' | H17 | 55.3° | 172.7° |
