DJJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.19Å | |
| C2 | N3 | sing | 1.33Å | 1.32Å | |
| C2 | N1 | sing | 1.35Å | 1.32Å | |
| N3 | C4 | doub | 1.33Å | 1.32Å | |
| C2' | C1' | sing | 1.54Å | 1.31Å | |
| C2' | C3' | sing | 1.54Å | 1.54Å | |
| C1' | N1 | sing | 1.47Å | 1.46Å | |
| C1' | O4' | sing | 1.44Å | 1.59Å | |
| N1 | C6 | sing | 1.36Å | 1.32Å | |
| O3' | C3' | sing | 1.43Å | 1.38Å | |
| C4 | N4 | sing | 1.38Å | 1.45Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.28Å | |
| C6 | C5 | doub | 1.35Å | 1.40Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| O2B | PB | doub | 1.48Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| O5' | PA | sing | 1.61Å | 1.65Å | |
| PB | O3A | sing | 1.61Å | 1.63Å | |
| PB | O1B | sing | 1.61Å | 1.51Å | |
| PB | C3B | sing | 1.82Å | 1.84Å | |
| O3A | PA | sing | 1.61Å | 1.63Å | |
| C3B | CL1 | sing | 1.80Å | 1.78Å | |
| C3B | PG | sing | 1.82Å | 1.85Å | |
| PA | O2A | doub | 1.48Å | 1.50Å | |
| PA | O1A | sing | 1.61Å | 1.52Å | |
| O3G | PG | doub | 1.48Å | 1.49Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| 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 | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| O1A | H13 | sing | 0.97Å | 0.95Å | |
| O1B | H14 | sing | 0.97Å | 0.95Å | |
| C3B | H15 | sing | 1.09Å | 1.10Å | |
| 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) |
| O2 | C2 | N3 | 119.3° | 119.5° |
| O2 | C2 | N1 | 118.6° | 119.4° |
| N3 | C2 | N1 | 122.2° | 121.1° |
| C2 | N3 | C4 | 120.0° | 120.7° |
| C2 | N1 | C1' | 118.5° | 119.8° |
| C2 | N1 | C6 | 120.9° | 120.3° |
| N3 | C4 | N4 | 119.8° | 120.2° |
| N3 | C4 | C5 | 120.4° | 119.6° |
| C1' | C2' | C3' | 106.0° | 104.1° |
| C2' | C1' | N1 | 108.6° | 110.4° |
| C2' | C1' | O4' | 105.7° | 104.8° |
| C2' | C1' | H5 | 113.1° | 110.5° |
| C1' | C2' | H6 | 110.4° | 110.5° |
| C1' | C2' | H7 | 110.3° | 110.6° |
| C2' | C3' | O3' | 112.7° | 110.5° |
| C2' | C3' | C4' | 100.4° | 104.1° |
| C3' | C2' | H6 | 110.3° | 110.5° |
| C3' | C2' | H7 | 110.3° | 110.5° |
| C2' | C3' | H8 | 109.7° | 110.5° |
| N1 | C1' | O4' | 109.9° | 110.3° |
| C1' | N1 | C6 | 120.5° | 119.8° |
| N1 | C1' | H5 | 110.6° | 110.3° |
| C1' | O4' | C4' | 108.6° | 105.3° |
| O4' | C1' | H5 | 108.8° | 110.4° |
| N1 | C6 | C5 | 119.1° | 119.3° |
| N1 | C6 | H4 | 120.5° | 120.4° |
| O3' | C3' | C4' | 111.7° | 110.5° |
| O3' | C3' | H8 | 112.1° | 110.6° |
| C3' | O3' | H9 | 109.5° | 114.0° |
| N4 | C4 | C5 | 119.8° | 120.2° |
| C4 | N4 | H1 | 120.0° | 120.0° |
| C4 | N4 | H2 | 120.0° | 120.0° |
| C4 | C5 | C6 | 117.5° | 119.0° |
| C4 | C5 | H3 | 121.3° | 120.5° |
| C3' | C4' | O4' | 103.5° | 104.8° |
| C3' | C4' | C5' | 111.7° | 110.4° |
| C4' | C3' | H8 | 109.7° | 110.5° |
| C3' | C4' | H10 | 109.8° | 110.4° |
| O4' | C4' | C5' | 108.5° | 110.4° |
| O4' | C4' | H10 | 113.8° | 110.4° |
| C6 | C5 | H3 | 121.3° | 120.5° |
| C5 | C6 | H4 | 120.4° | 120.4° |
| C4' | C5' | O5' | 108.4° | 109.5° |
| C5' | C4' | H10 | 109.5° | 110.4° |
| C4' | C5' | H11 | 109.7° | 109.5° |
| C4' | C5' | H12 | 109.7° | 109.5° |
| O2B | PB | O3A | 102.2° | 109.4° |
| O2B | PB | O1B | 110.6° | 109.5° |
| O2B | PB | C3B | 108.7° | 109.5° |
| C5' | O5' | PA | 117.9° | 123.0° |
| O5' | C5' | H11 | 109.8° | 109.5° |
| O5' | C5' | H12 | 109.8° | 109.4° |
| O5' | PA | O3A | 105.0° | 109.5° |
| O5' | PA | O2A | 108.6° | 109.5° |
| O5' | PA | O1A | 109.2° | 109.5° |
| O3A | PB | O1B | 112.8° | 109.5° |
| O3A | PB | C3B | 109.1° | 109.5° |
| PB | O3A | PA | 128.5° | 134.0° |
| O1B | PB | C3B | 112.9° | 109.5° |
| PB | O1B | H14 | 109.5° | 114.0° |
| PB | C3B | CL1 | 106.7° | 109.5° |
| PB | C3B | PG | 109.8° | 109.5° |
| PB | C3B | H15 | 110.4° | 109.5° |
| O3A | PA | O2A | 108.3° | 109.5° |
| O3A | PA | O1A | 113.0° | 109.5° |
| CL1 | C3B | PG | 108.5° | 109.5° |
| CL1 | C3B | H15 | 111.1° | 109.5° |
| C3B | PG | O3G | 107.0° | 109.5° |
| C3B | PG | O1G | 107.6° | 109.4° |
| C3B | PG | O2G | 108.0° | 109.5° |
| PG | C3B | H15 | 110.3° | 109.5° |
| O2A | PA | O1A | 112.4° | 109.5° |
| PA | O1A | H13 | 109.5° | 114.0° |
| O3G | PG | O1G | 111.9° | 109.5° |
| O3G | PG | O2G | 111.4° | 109.5° |
| O1G | PG | O2G | 110.6° | 109.5° |
| PG | O1G | H16 | 109.5° | 114.0° |
| PG | O2G | H17 | 109.5° | 114.0° |
| H1 | N4 | H2 | 119.9° | 120.0° |
| H6 | C2' | H7 | 109.5° | 110.6° |
| H11 | C5' | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 178.2° | 179.9° |
| O2 | C2 | N3 | C4 | 179.8° | 180.0° |
| O2 | C2 | N1 | C1' | 3.6° | 0.1° |
| O2 | C2 | N1 | C6 | 179.6° | 179.7° |
| N3 | C2 | N1 | C1' | 178.2° | 180.0° |
| N3 | C2 | N1 | C6 | 2.2° | 0.2° |
| C2 | N3 | C4 | N4 | 178.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.7° | 0.3° |
| N1 | C2 | N3 | C4 | 1.5° | 0.0° |
| C2 | N1 | C1' | C2' | 91.0° | 61.8° |
| C2 | N1 | C1' | C6 | 176.0° | 179.8° |
| C2 | N1 | C1' | O4' | 153.8° | 53.5° |
| C2 | N1 | C6 | C5 | 1.9° | 0.2° |
| C2 | N1 | C6 | H4 | 178.1° | 179.7° |
| C2 | N1 | C1' | H5 | 33.6° | 175.7° |
| N3 | C4 | N4 | C5 | 179.6° | 179.7° |
| N3 | C4 | C5 | C6 | 0.5° | 0.3° |
| N3 | C4 | N4 | H1 | 0.0° | 179.8° |
| N3 | C4 | N4 | H2 | 180.0° | 0.3° |
| N3 | C4 | C5 | H3 | 179.5° | 179.8° |
| C1' | C2' | C3' | H6 | 119.5° | 118.6° |
| C1' | C2' | C3' | H7 | 119.5° | 118.7° |
| C2' | C1' | N1 | O4' | 115.2° | 115.4° |
| C2' | C1' | N1 | H5 | 124.6° | 122.4° |
| C2' | C1' | O4' | H5 | 121.7° | 119.0° |
| C2' | C1' | N1 | C6 | 85.0° | 117.9° |
| C1' | C2' | C3' | O3' | 154.1° | 118.6° |
| C1' | C2' | C3' | C4' | 35.1° | 0.0° |
| C2' | C1' | O4' | C4' | 6.8° | 40.5° |
| C1' | C2' | H6 | H7 | 121.6° | 122.7° |
| C1' | C2' | C3' | H8 | 80.3° | 118.7° |
| C3' | C2' | C1' | N1 | 98.9° | 142.8° |
| C3' | C2' | C1' | O4' | 19.0° | 24.0° |
| C2' | C3' | O3' | C4' | 112.1° | 114.6° |
| C2' | C3' | O3' | H8 | 124.3° | 122.7° |
| C2' | C3' | C4' | H8 | 115.4° | 118.6° |
| C2' | C3' | C4' | O4' | 39.0° | 24.0° |
| C2' | C3' | C4' | C5' | 155.5° | 142.8° |
| C3' | C2' | C1' | H5 | 137.9° | 94.9° |
| C3' | C2' | H6 | H7 | 121.6° | 122.7° |
| C2' | C3' | O3' | H9 | 146.1° | 61.5° |
| C2' | C3' | C4' | H10 | 82.9° | 94.8° |
| N1 | C1' | O4' | H5 | 121.2° | 122.2° |
| N1 | C1' | O4' | C4' | 123.9° | 159.4° |
| C1' | N1 | C6 | C5 | 177.8° | 180.0° |
| C1' | N1 | C6 | H4 | 2.2° | 0.0° |
| N1 | C1' | C2' | H6 | 141.6° | 98.6° |
| N1 | C1' | C2' | H7 | 20.5° | 24.1° |
| O4' | C1' | N1 | C6 | 30.2° | 126.7° |
| C1' | O4' | C4' | C3' | 28.8° | 40.5° |
| C1' | O4' | C4' | C5' | 147.6° | 159.4° |
| O4' | C1' | C2' | H6 | 100.5° | 142.6° |
| O4' | C1' | C2' | H7 | 138.4° | 94.6° |
| C1' | O4' | C4' | H10 | 90.3° | 78.3° |
| N1 | C6 | C5 | C4 | 1.1° | 0.1° |
| N1 | C6 | C5 | H4 | 180.0° | 179.9° |
| N1 | C6 | C5 | H3 | 178.9° | 180.0° |
| C6 | N1 | C1' | H5 | 150.3° | 4.5° |
| O3' | C3' | C4' | H8 | 124.9° | 122.7° |
| O3' | C3' | C4' | O4' | 158.7° | 142.6° |
| O3' | C3' | C4' | C5' | 84.8° | 98.5° |
| O3' | C3' | C2' | H6 | 34.7° | 0.0° |
| O3' | C3' | C2' | H7 | 86.4° | 122.7° |
| O3' | C3' | C4' | H10 | 36.8° | 23.8° |
| N4 | C4 | C5 | C6 | 179.1° | 180.0° |
| C4 | N4 | H1 | H2 | 180.0° | 179.9° |
| N4 | C4 | C5 | H3 | 1.0° | 0.1° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | N4 | H1 | 179.6° | 0.1° |
| C5 | C4 | N4 | H2 | 0.4° | 180.0° |
| C4 | C5 | C6 | H4 | 178.9° | 180.0° |
| C3' | C4' | O4' | C5' | 118.7° | 118.8° |
| C3' | C4' | O4' | H10 | 119.1° | 118.8° |
| C3' | C4' | C5' | H10 | 121.8° | 122.3° |
| C3' | C4' | C5' | O5' | 57.2° | 175.0° |
| C4' | C3' | C2' | H6 | 84.3° | 118.6° |
| C4' | C3' | C2' | H7 | 154.6° | 118.7° |
| C4' | C3' | O3' | H9 | 101.7° | 176.1° |
| C3' | C4' | C5' | H11 | 177.1° | 55.0° |
| C3' | C4' | C5' | H12 | 62.6° | 65.0° |
| O4' | C4' | C5' | H10 | 124.8° | 122.3° |
| O4' | C4' | C5' | O5' | 56.2° | 69.6° |
| C4' | O4' | C1' | H5 | 114.9° | 78.4° |
| O4' | C4' | C3' | H8 | 76.4° | 94.7° |
| O4' | C4' | C5' | H11 | 63.6° | 170.4° |
| O4' | C4' | C5' | H12 | 176.1° | 50.3° |
| C4' | C5' | O5' | H11 | 119.8° | 120.1° |
| C4' | C5' | O5' | H12 | 119.8° | 120.0° |
| C4' | C5' | O5' | PA | 134.2° | 180.0° |
| C5' | C4' | C3' | H8 | 40.1° | 24.2° |
| C4' | C5' | H11 | H12 | 120.5° | 120.1° |
| O2B | PB | O3A | O1B | 118.8° | 120.0° |
| O2B | PB | O3A | C3B | 114.9° | 120.0° |
| O2B | PB | O1B | C3B | 121.9° | 120.0° |
| O2B | PB | O3A | PA | 140.2° | 60.0° |
| O2B | PB | C3B | CL1 | 92.0° | 180.0° |
| O2B | PB | C3B | PG | 150.6° | 60.0° |
| O2B | PB | O1B | H14 | 0.0° | 180.0° |
| O2B | PB | C3B | H15 | 28.8° | 60.0° |
| C5' | O5' | PA | O3A | 69.5° | 175.0° |
| C5' | O5' | PA | O2A | 174.8° | 55.0° |
| C5' | O5' | PA | O1A | 51.9° | 65.0° |
| O5' | C5' | C4' | H10 | 179.0° | 52.7° |
| O5' | C5' | H11 | H12 | 120.5° | 119.9° |
| O5' | PA | O3A | PB | 107.8° | 165.0° |
| O5' | PA | O3A | O2A | 115.9° | 120.0° |
| O5' | PA | O3A | O1A | 119.0° | 120.0° |
| O5' | PA | O2A | O1A | 120.9° | 120.0° |
| PA | O5' | C5' | H11 | 106.0° | 59.9° |
| PA | O5' | C5' | H12 | 14.4° | 60.0° |
| O5' | PA | O1A | H13 | 120.6° | 60.0° |
| O3A | PB | O1B | C3B | 124.3° | 120.1° |
| O3A | PB | C3B | CL1 | 18.7° | 60.0° |
| O3A | PB | C3B | PG | 98.7° | 180.0° |
| PB | O3A | PA | O2A | 136.4° | 45.0° |
| PB | O3A | PA | O1A | 11.2° | 75.0° |
| O3A | PB | O1B | H14 | 113.8° | 60.0° |
| O3A | PB | C3B | H15 | 139.6° | 60.0° |
| O1B | PB | O3A | PA | 21.4° | 59.9° |
| O1B | PB | C3B | CL1 | 145.0° | 60.0° |
| O1B | PB | C3B | PG | 27.6° | 60.0° |
| O1B | PB | C3B | H15 | 94.2° | 180.0° |
| C3B | PB | O3A | PA | 104.9° | 180.0° |
| PB | C3B | CL1 | PG | 118.3° | 120.0° |
| PB | C3B | CL1 | H15 | 120.4° | 120.0° |
| PB | C3B | PG | H15 | 121.8° | 120.0° |
| PB | C3B | PG | O3G | 88.1° | 60.0° |
| PB | C3B | PG | O1G | 32.4° | 60.0° |
| PB | C3B | PG | O2G | 151.8° | 180.0° |
| C3B | PB | O1B | H14 | 122.0° | 60.0° |
| O3A | PA | O2A | O1A | 125.5° | 120.0° |
| O3A | PA | O1A | H13 | 122.9° | 60.0° |
| CL1 | C3B | PG | H15 | 121.9° | 120.0° |
| CL1 | C3B | PG | O3G | 155.7° | 60.0° |
| CL1 | C3B | PG | O1G | 83.9° | 180.0° |
| CL1 | C3B | PG | O2G | 35.6° | 60.0° |
| C3B | PG | O3G | O1G | 117.7° | 120.0° |
| C3B | PG | O3G | O2G | 117.9° | 120.0° |
| C3B | PG | O1G | O2G | 117.8° | 120.0° |
| C3B | PG | O1G | H16 | 117.3° | 60.0° |
| C3B | PG | O2G | H17 | 117.3° | 180.0° |
| O2A | PA | O1A | H13 | 0.0° | 180.0° |
| O3G | PG | O1G | O2G | 124.9° | 120.0° |
| O3G | PG | C3B | H15 | 33.8° | 180.0° |
| O3G | PG | O1G | H16 | 0.0° | 180.0° |
| O3G | PG | O2G | H17 | 0.0° | 60.0° |
| O1G | PG | C3B | H15 | 154.2° | 60.0° |
| O1G | PG | O2G | H17 | 125.1° | 60.0° |
| O2G | PG | C3B | H15 | 86.3° | 60.0° |
| O2G | PG | O1G | H16 | 124.9° | 60.0° |
| H3 | C5 | C6 | H4 | 1.1° | 0.1° |
| H5 | C1' | C2' | H6 | 18.4° | 23.7° |
| H5 | C1' | C2' | H7 | 102.7° | 146.5° |
| H6 | C2' | C3' | H8 | 160.2° | 122.7° |
| H7 | C2' | C3' | H8 | 39.2° | 0.0° |
| H8 | C3' | O3' | H9 | 21.9° | 61.2° |
| H8 | C3' | C4' | H10 | 161.7° | 146.5° |
| H10 | C4' | C5' | H11 | 61.1° | 67.3° |
| H10 | C4' | C5' | H12 | 59.2° | 172.7° |
