TXJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2' | C3' | sing | 1.53Å | 1.54Å | |
| C2' | C1' | sing | 1.53Å | 1.54Å | |
| C2' | O4' | sing | 1.43Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | P | sing | 1.82Å | 1.79Å | |
| C2 | N1 | sing | 1.35Å | 1.34Å | |
| C2 | N3 | sing | 1.33Å | 1.40Å | |
| N1 | C6 | sing | 1.36Å | 1.40Å | |
| OP1 | P | doub | 1.48Å | 1.47Å | |
| P | O3A | sing | 1.61Å | 1.61Å | |
| P | O6 | sing | 1.61Å | 1.48Å | |
| N3 | C4 | doub | 1.33Å | 1.40Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| O3A | PB | sing | 1.61Å | 1.61Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | |
| C4 | N4 | sing | 1.37Å | 1.33Å | |
| O2B | PB | doub | 1.48Å | 1.48Å | |
| PB | O3B | sing | 1.61Å | 1.48Å | |
| PB | O1B | sing | 1.61Å | 1.63Å | |
| O1G | PG | doub | 1.48Å | 1.48Å | |
| O1B | PG | sing | 1.61Å | 1.60Å | |
| PG | O3G | sing | 1.61Å | 1.47Å | |
| PG | O2G | sing | 1.61Å | 1.47Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N4 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C4' | H12 | sing | 1.09Å | 1.10Å | |
| O6 | H13 | sing | 0.97Å | 0.95Å | |
| O2G | H14 | sing | 0.97Å | 0.95Å | |
| O3B | H15 | sing | 0.97Å | 0.95Å | |
| O3G | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3' | C2' | C1' | 111.0° | 109.5° |
| C3' | C2' | O4' | 110.3° | 109.5° |
| C2' | C3' | O3' | 110.8° | 109.5° |
| C3' | C2' | H7 | 107.4° | 109.5° |
| C2' | C3' | H8 | 109.1° | 109.5° |
| C2' | C3' | H9 | 109.1° | 109.5° |
| C1' | C2' | O4' | 112.1° | 109.5° |
| C2' | C1' | N1 | 117.4° | 109.5° |
| C2' | C1' | H5 | 107.4° | 109.5° |
| C2' | C1' | H6 | 107.5° | 109.4° |
| C1' | C2' | H7 | 107.3° | 109.4° |
| C2' | O4' | C4' | 105.9° | 114.0° |
| O4' | C2' | H7 | 108.6° | 109.5° |
| O3' | C3' | H8 | 109.1° | 109.4° |
| O3' | C3' | H9 | 109.2° | 109.5° |
| C3' | O3' | H10 | 109.5° | 114.0° |
| C1' | N1 | C2 | 119.5° | 119.8° |
| C1' | N1 | C6 | 120.2° | 119.8° |
| N1 | C1' | H5 | 107.4° | 109.5° |
| N1 | C1' | H6 | 107.5° | 109.5° |
| O2 | C2 | N1 | 119.7° | 119.4° |
| O2 | C2 | N3 | 119.7° | 119.5° |
| O4' | C4' | P | 113.1° | 109.4° |
| O4' | C4' | H11 | 108.6° | 109.5° |
| O4' | C4' | H12 | 108.5° | 109.5° |
| C4' | P | OP1 | 106.8° | 109.5° |
| C4' | P | O3A | 104.5° | 109.5° |
| C4' | P | O6 | 109.7° | 109.5° |
| P | C4' | H11 | 108.6° | 109.4° |
| P | C4' | H12 | 108.5° | 109.5° |
| N1 | C2 | N3 | 120.6° | 121.1° |
| C2 | N1 | C6 | 120.3° | 120.4° |
| C2 | N3 | C4 | 119.9° | 120.7° |
| N1 | C6 | C5 | 120.3° | 119.3° |
| N1 | C6 | H4 | 119.9° | 120.4° |
| OP1 | P | O3A | 106.6° | 109.4° |
| OP1 | P | O6 | 119.5° | 109.5° |
| O3A | P | O6 | 108.7° | 109.5° |
| P | O3A | PB | 124.4° | 134.0° |
| P | O6 | H13 | 109.5° | 114.0° |
| N3 | C4 | C5 | 119.5° | 119.6° |
| N3 | C4 | N4 | 120.3° | 120.2° |
| C6 | C5 | C4 | 119.5° | 118.9° |
| C6 | C5 | H3 | 120.3° | 120.5° |
| C5 | C6 | H4 | 119.8° | 120.3° |
| O3A | PB | O2B | 109.5° | 109.5° |
| O3A | PB | O3B | 108.6° | 109.5° |
| O3A | PB | O1B | 99.4° | 109.5° |
| C5 | C4 | N4 | 120.2° | 120.2° |
| C4 | C5 | H3 | 120.3° | 120.5° |
| C4 | N4 | H1 | 120.0° | 120.0° |
| C4 | N4 | H2 | 120.0° | 120.0° |
| O2B | PB | O3B | 119.0° | 109.4° |
| O2B | PB | O1B | 107.7° | 109.5° |
| O3B | PB | O1B | 110.9° | 109.5° |
| PB | O3B | H15 | 109.5° | 114.0° |
| PB | O1B | PG | 125.8° | 134.1° |
| O1G | PG | O1B | 100.6° | 109.4° |
| O1G | PG | O3G | 114.4° | 109.5° |
| O1G | PG | O2G | 114.1° | 109.5° |
| O1B | PG | O3G | 107.0° | 109.5° |
| O1B | PG | O2G | 103.0° | 109.4° |
| O3G | PG | O2G | 115.6° | 109.5° |
| PG | O3G | H16 | 109.5° | 114.0° |
| PG | O2G | H14 | 109.5° | 114.0° |
| H1 | N4 | H2 | 120.0° | 120.0° |
| H5 | C1' | H6 | 109.5° | 109.5° |
| H8 | C3' | H9 | 109.5° | 109.4° |
| H11 | C4' | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3' | C2' | C1' | O4' | 123.8° | 120.0° |
| C3' | C2' | C1' | H7 | 117.0° | 120.0° |
| C3' | C2' | O4' | H7 | 117.4° | 120.0° |
| C2' | C3' | O3' | H8 | 120.2° | 120.1° |
| C2' | C3' | O3' | H9 | 120.2° | 120.0° |
| C3' | C2' | C1' | N1 | 64.5° | 180.0° |
| C3' | C2' | O4' | C4' | 62.3° | 85.1° |
| C3' | C2' | C1' | H5 | 56.6° | 59.9° |
| C3' | C2' | C1' | H6 | 174.3° | 60.0° |
| C2' | C3' | H8 | H9 | 119.4° | 120.0° |
| C2' | C3' | O3' | H10 | 180.0° | 180.0° |
| C1' | C2' | O4' | H7 | 118.4° | 120.0° |
| C1' | C2' | C3' | O3' | 60.3° | 55.3° |
| C2' | C1' | N1 | H5 | 121.1° | 120.0° |
| C2' | C1' | N1 | H6 | 121.2° | 119.9° |
| C1' | C2' | O4' | C4' | 173.5° | 154.9° |
| C2' | C1' | N1 | C2 | 110.6° | 89.8° |
| C2' | C1' | N1 | C6 | 71.3° | 89.9° |
| C2' | C1' | H5 | H6 | 116.4° | 119.9° |
| C1' | C2' | C3' | H8 | 179.5° | 175.3° |
| C1' | C2' | C3' | H9 | 59.9° | 64.7° |
| O4' | C2' | C3' | O3' | 64.5° | 64.7° |
| O4' | C2' | C1' | N1 | 59.3° | 60.0° |
| C2' | O4' | C4' | P | 122.1° | 76.1° |
| O4' | C2' | C1' | H5 | 179.5° | 180.0° |
| O4' | C2' | C1' | H6 | 61.8° | 60.0° |
| O4' | C2' | C3' | H8 | 55.7° | 55.3° |
| O4' | C2' | C3' | H9 | 175.3° | 175.3° |
| C2' | O4' | C4' | H11 | 117.3° | 164.0° |
| C2' | O4' | C4' | H12 | 1.6° | 43.9° |
| O3' | C3' | C2' | H7 | 177.3° | 175.3° |
| O3' | C3' | H8 | H9 | 119.4° | 120.0° |
| C1' | N1 | C2 | O2 | 1.6° | 0.3° |
| C1' | N1 | C2 | C6 | 178.0° | 179.7° |
| C1' | N1 | C2 | N3 | 179.1° | 179.7° |
| C1' | N1 | C6 | C5 | 179.0° | 179.8° |
| C1' | N1 | C6 | H4 | 1.0° | 0.3° |
| N1 | C1' | H5 | H6 | 116.4° | 120.0° |
| N1 | C1' | C2' | H7 | 178.5° | 60.0° |
| O2 | C2 | N1 | N3 | 179.4° | 179.9° |
| O2 | C2 | N1 | C6 | 179.6° | 179.9° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O4' | C4' | P | H11 | 120.5° | 120.0° |
| O4' | C4' | P | H12 | 120.5° | 120.0° |
| O4' | C4' | P | OP1 | 152.2° | 63.3° |
| O4' | C4' | P | O3A | 95.1° | 176.7° |
| O4' | C4' | P | O6 | 21.3° | 56.7° |
| C4' | O4' | C2' | H7 | 55.2° | 34.9° |
| O4' | C4' | H11 | H12 | 118.3° | 120.0° |
| C4' | P | OP1 | O3A | 111.3° | 120.0° |
| C4' | P | OP1 | O6 | 125.2° | 120.0° |
| C4' | P | O3A | O6 | 117.1° | 120.0° |
| C4' | P | O3A | PB | 94.0° | 180.0° |
| P | C4' | H11 | H12 | 118.3° | 120.0° |
| C4' | P | O6 | H13 | 123.7° | 60.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| C2 | N1 | C6 | C5 | 1.0° | 0.1° |
| C2 | N1 | C6 | H4 | 179.0° | 180.0° |
| C2 | N1 | C1' | H5 | 10.5° | 30.3° |
| C2 | N1 | C1' | H6 | 128.2° | 150.3° |
| N3 | C2 | N1 | C6 | 1.0° | 0.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | N4 | 180.0° | 180.0° |
| N1 | C6 | C5 | H4 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.4° | 0.1° |
| N1 | C6 | C5 | H3 | 179.6° | 180.0° |
| C6 | N1 | C1' | H5 | 167.6° | 150.0° |
| C6 | N1 | C1' | H6 | 49.9° | 30.0° |
| OP1 | P | O3A | O6 | 130.1° | 120.0° |
| OP1 | P | O3A | PB | 153.1° | 60.0° |
| OP1 | P | C4' | H11 | 87.3° | 56.6° |
| OP1 | P | C4' | H12 | 31.7° | 176.7° |
| OP1 | P | O6 | H13 | 0.0° | 180.0° |
| P | O3A | PB | O2B | 25.2° | 40.0° |
| P | O3A | PB | O3B | 156.6° | 80.0° |
| P | O3A | PB | O1B | 87.5° | 160.0° |
| O3A | P | C4' | H11 | 25.5° | 63.4° |
| O3A | P | C4' | H12 | 144.4° | 56.7° |
| O3A | P | O6 | H13 | 122.6° | 60.0° |
| O6 | P | O3A | PB | 23.0° | 60.0° |
| O6 | P | C4' | H11 | 141.8° | 176.6° |
| O6 | P | C4' | H12 | 99.3° | 63.3° |
| N3 | C4 | C5 | C6 | 0.1° | 0.1° |
| N3 | C4 | C5 | N4 | 179.9° | 180.0° |
| N3 | C4 | N4 | H1 | 0.0° | 0.0° |
| N3 | C4 | N4 | H2 | 180.0° | 180.0° |
| N3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | N4 | 180.0° | 180.0° |
| O3A | PB | O2B | O3B | 125.7° | 120.0° |
| O3A | PB | O2B | O1B | 107.1° | 120.0° |
| O3A | PB | O3B | O1B | 108.2° | 120.0° |
| O3A | PB | O1B | PG | 84.7° | 165.0° |
| O3A | PB | O3B | H15 | 126.1° | 60.0° |
| C5 | C4 | N4 | H1 | 180.0° | 180.0° |
| C5 | C4 | N4 | H2 | 0.1° | 0.1° |
| C4 | C5 | C6 | H4 | 179.6° | 180.0° |
| C4 | N4 | H1 | H2 | 180.0° | 179.9° |
| N4 | C4 | C5 | H3 | 0.1° | 0.0° |
| O2B | PB | O3B | O1B | 125.7° | 120.0° |
| O2B | PB | O1B | PG | 161.2° | 45.0° |
| O2B | PB | O3B | H15 | 0.0° | 180.0° |
| O3B | PB | O1B | PG | 29.4° | 75.0° |
| PB | O1B | PG | O1G | 89.2° | 40.0° |
| PB | O1B | PG | O3G | 30.6° | 160.0° |
| PB | O1B | PG | O2G | 152.8° | 80.0° |
| O1B | PB | O3B | H15 | 125.7° | 60.0° |
| O1G | PG | O1B | O3G | 119.8° | 120.0° |
| O1G | PG | O1B | O2G | 118.0° | 120.0° |
| O1G | PG | O3G | O2G | 135.5° | 120.0° |
| O1G | PG | O2G | H14 | 0.0° | 180.0° |
| O1G | PG | O3G | H16 | 0.0° | 60.0° |
| O1B | PG | O3G | O2G | 114.0° | 120.0° |
| O1B | PG | O2G | H14 | 108.1° | 60.1° |
| O1B | PG | O3G | H16 | 110.5° | 180.0° |
| O3G | PG | O2G | H14 | 135.7° | 60.0° |
| O2G | PG | O3G | H16 | 135.5° | 60.0° |
| H3 | C5 | C6 | H4 | 0.4° | 0.1° |
| H5 | C1' | C2' | H7 | 60.4° | 60.0° |
| H6 | C1' | C2' | H7 | 57.3° | NaN° |
| H7 | C2' | C3' | H8 | 62.5° | 64.7° |
| H7 | C2' | C3' | H9 | 57.1° | 55.3° |
| H8 | C3' | O3' | H10 | 59.8° | 60.0° |
| H9 | C3' | O3' | H10 | 59.8° | 59.9° |
