FDJ
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 | 1.35Å | 1.31Å | |
| C2 | N1 | sing | 1.34Å | 1.33Å | |
| N3 | C4 | sing | 1.35Å | 1.34Å | |
| C2' | C1' | sing | 1.54Å | 1.57Å | |
| C2' | C3' | sing | 1.55Å | 1.28Å | |
| C1' | N1 | sing | 1.47Å | 1.34Å | |
| C1' | O4' | sing | 1.44Å | 1.54Å | |
| N1 | C6 | sing | 1.37Å | 1.36Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.42Å | 1.41Å | |
| O3' | C3' | sing | 1.43Å | 1.47Å | |
| C3' | C4' | sing | 1.55Å | 1.63Å | |
| O4' | C4' | sing | 1.44Å | 1.28Å | |
| C6 | C5 | doub | 1.35Å | 1.41Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.51Å | 1.56Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O5' | PA | sing | 1.61Å | 1.59Å | |
| O3A | PB | sing | 1.61Å | 1.59Å | |
| O3A | PA | sing | 1.61Å | 1.59Å | |
| PB | O1B | sing | 1.61Å | 1.49Å | |
| PB | C3B | sing | 1.82Å | 1.81Å | |
| CL1 | C3B | sing | 1.80Å | 1.76Å | |
| PA | O2A | doub | 1.48Å | 1.50Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| C3B | PG | sing | 1.82Å | 1.81Å | |
| O3G | PG | doub | 1.48Å | 1.52Å | |
| PG | O1G | sing | 1.61Å | 1.50Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| O1A | H7 | sing | 0.97Å | 0.95Å | |
| O1G | H8 | sing | 0.97Å | 0.95Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O1B | H11 | sing | 0.97Å | 0.95Å | |
| O2G | H12 | sing | 0.97Å | 0.95Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| C3B | H15 | sing | 1.09Å | 1.10Å | |
| C4' | H16 | sing | 1.09Å | 1.10Å | |
| C5' | H17 | sing | 1.09Å | 1.10Å | |
| C5' | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 117.5° | 119.5° |
| O2 | C2 | N1 | 119.3° | 119.6° |
| N3 | C2 | N1 | 123.2° | 121.0° |
| C2 | N3 | C4 | 120.5° | 120.2° |
| C2 | N3 | H5 | 119.8° | 119.9° |
| C2 | N1 | C1' | 119.3° | 119.7° |
| C2 | N1 | C6 | 119.2° | 120.6° |
| N3 | C4 | O4 | 119.2° | 120.3° |
| N3 | C4 | C5 | 120.3° | 119.4° |
| C4 | N3 | H5 | 119.8° | 119.9° |
| C1' | C2' | C3' | 105.3° | 104.0° |
| C2' | C1' | N1 | 111.1° | 110.4° |
| C2' | C1' | O4' | 103.5° | 104.9° |
| C2' | C1' | H6 | 109.0° | 110.4° |
| C1' | C2' | H9 | 110.5° | 110.6° |
| C1' | C2' | H10 | 110.5° | 110.5° |
| C2' | C3' | O3' | 116.1° | 110.5° |
| C2' | C3' | C4' | 102.5° | 104.1° |
| C3' | C2' | H9 | 110.5° | 110.5° |
| C3' | C2' | H10 | 110.5° | 110.5° |
| C2' | C3' | H13 | 111.7° | 110.5° |
| N1 | C1' | O4' | 111.1° | 110.4° |
| C1' | N1 | C6 | 121.4° | 119.7° |
| N1 | C1' | H6 | 112.4° | 110.3° |
| C1' | O4' | C4' | 106.1° | 105.3° |
| O4' | C1' | H6 | 109.4° | 110.4° |
| N1 | C6 | C5 | 120.6° | 119.7° |
| N1 | C6 | H1 | 119.7° | 120.2° |
| O4 | C4 | C5 | 120.4° | 120.3° |
| C4 | C5 | C6 | 116.2° | 119.1° |
| C4 | C5 | C7 | 122.2° | 120.4° |
| O3' | C3' | C4' | 110.5° | 110.5° |
| O3' | C3' | H13 | 108.7° | 110.6° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| C3' | C4' | O4' | 107.0° | 104.8° |
| C3' | C4' | C5' | 108.7° | 110.4° |
| C4' | C3' | H13 | 106.9° | 110.5° |
| C3' | C4' | H16 | 107.4° | 110.4° |
| O4' | C4' | C5' | 112.5° | 110.4° |
| O4' | C4' | H16 | 112.5° | 110.5° |
| C6 | C5 | C7 | 121.6° | 120.4° |
| C5 | C6 | H1 | 119.7° | 120.2° |
| C4' | C5' | O5' | 109.6° | 109.5° |
| C5' | C4' | H16 | 108.5° | 110.4° |
| C4' | C5' | H17 | 109.4° | 109.5° |
| C4' | C5' | H18 | 109.4° | 109.5° |
| C5 | C7 | H2 | 109.5° | 109.4° |
| C5 | C7 | H3 | 109.4° | 109.5° |
| C5 | C7 | H4 | 109.5° | 109.5° |
| O2B | PB | O3A | 107.9° | 109.4° |
| O2B | PB | O1B | 110.2° | 109.4° |
| O2B | PB | C3B | 109.4° | 109.5° |
| C5' | O5' | PA | 115.9° | 123.0° |
| O5' | C5' | H17 | 109.4° | 109.5° |
| O5' | C5' | H18 | 109.4° | 109.4° |
| O5' | PA | O3A | 105.5° | 109.4° |
| O5' | PA | O2A | 108.3° | 109.5° |
| O5' | PA | O1A | 110.1° | 109.5° |
| PB | O3A | PA | 130.1° | 134.0° |
| O3A | PB | O1B | 112.9° | 109.5° |
| O3A | PB | C3B | 102.6° | 109.5° |
| O3A | PA | O2A | 107.6° | 109.5° |
| O3A | PA | O1A | 112.5° | 109.4° |
| O1B | PB | C3B | 113.5° | 109.5° |
| PB | O1B | H11 | 109.5° | 114.0° |
| PB | C3B | CL1 | 109.4° | 109.5° |
| PB | C3B | PG | 110.5° | 109.5° |
| PB | C3B | H15 | 108.4° | 109.5° |
| CL1 | C3B | PG | 111.1° | 109.5° |
| CL1 | C3B | H15 | 109.0° | 109.5° |
| O2A | PA | O1A | 112.4° | 109.5° |
| PA | O1A | H7 | 109.5° | 114.0° |
| C3B | PG | O3G | 109.0° | 109.5° |
| C3B | PG | O1G | 108.3° | 109.5° |
| C3B | PG | O2G | 110.7° | 109.5° |
| PG | C3B | H15 | 108.5° | 109.5° |
| O3G | PG | O1G | 109.4° | 109.5° |
| O3G | PG | O2G | 110.3° | 109.5° |
| O1G | PG | O2G | 109.1° | 109.5° |
| PG | O1G | H8 | 109.5° | 114.0° |
| PG | O2G | H12 | 109.5° | 113.9° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H2 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H9 | C2' | H10 | 109.5° | 110.6° |
| H17 | C5' | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.8° | 179.8° |
| O2 | C2 | N3 | C4 | 179.3° | 179.7° |
| O2 | C2 | N1 | C1' | 0.9° | 0.2° |
| O2 | C2 | N1 | C6 | 179.9° | 179.8° |
| O2 | C2 | N3 | H5 | 0.7° | 0.2° |
| C2 | N3 | C4 | H5 | 180.0° | 179.9° |
| N3 | C2 | N1 | C1' | 178.9° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N3 | C4 | O4 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.7° | 0.1° |
| N1 | C2 | N3 | C4 | 0.5° | 0.1° |
| C2 | N1 | C1' | C2' | 100.4° | 61.9° |
| C2 | N1 | C1' | C6 | 179.0° | 180.0° |
| C2 | N1 | C1' | O4' | 145.0° | 53.6° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| C2 | N1 | C6 | H1 | 179.5° | 180.0° |
| N1 | C2 | N3 | H5 | 179.5° | 180.0° |
| C2 | N1 | C1' | H6 | 22.0° | 175.8° |
| N3 | C4 | O4 | C5 | 179.2° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.0° |
| N3 | C4 | C5 | C7 | 179.5° | 180.0° |
| C1' | C2' | C3' | H9 | 119.4° | 118.7° |
| C1' | C2' | C3' | H10 | 119.4° | 118.6° |
| C2' | C1' | N1 | O4' | 114.6° | 115.5° |
| C2' | C1' | N1 | H6 | 122.4° | 122.3° |
| C2' | C1' | O4' | H6 | 116.0° | 119.0° |
| C2' | C1' | N1 | C6 | 78.6° | 118.1° |
| C1' | C2' | C3' | O3' | 155.6° | 118.7° |
| C1' | C2' | C3' | C4' | 35.1° | 0.0° |
| C2' | C1' | O4' | C4' | 4.4° | 40.5° |
| C1' | C2' | H9 | H10 | 121.9° | 122.7° |
| C1' | C2' | C3' | H13 | 78.9° | 118.6° |
| C3' | C2' | C1' | N1 | 96.3° | 142.8° |
| C3' | C2' | C1' | O4' | 23.0° | 24.0° |
| C2' | C3' | O3' | C4' | 116.1° | 114.7° |
| C2' | C3' | O3' | H13 | 126.9° | 122.7° |
| C2' | C3' | C4' | H13 | 117.6° | 118.6° |
| C2' | C3' | C4' | O4' | 41.2° | 24.0° |
| C2' | C3' | C4' | C5' | 162.9° | 142.8° |
| C3' | C2' | C1' | H6 | 139.3° | 95.0° |
| C3' | C2' | H9 | H10 | 121.9° | 122.7° |
| C2' | C3' | O3' | H14 | 180.0° | 61.5° |
| C2' | C3' | C4' | H16 | 79.9° | 94.9° |
| N1 | C1' | O4' | H6 | 124.6° | 122.2° |
| N1 | C1' | O4' | C4' | 123.7° | 159.4° |
| C1' | N1 | C6 | C5 | 178.5° | 180.0° |
| C1' | N1 | C6 | H1 | 1.5° | 0.0° |
| N1 | C1' | C2' | H9 | 144.4° | 98.5° |
| N1 | C1' | C2' | H10 | 23.1° | 24.2° |
| O4' | C1' | N1 | C6 | 36.1° | 126.5° |
| C1' | O4' | C4' | C3' | 24.3° | 40.5° |
| C1' | O4' | C4' | C5' | 143.6° | 159.3° |
| O4' | C1' | C2' | H9 | 96.3° | 142.6° |
| O4' | C1' | C2' | H10 | 142.4° | 94.6° |
| C1' | O4' | C4' | H16 | 93.4° | 78.3° |
| N1 | C6 | C5 | C4 | 0.3° | 0.0° |
| N1 | C6 | C5 | H1 | 180.0° | 180.0° |
| N1 | C6 | C5 | C7 | 178.9° | 179.9° |
| C6 | N1 | C1' | H6 | 159.0° | 4.2° |
| O4 | C4 | C5 | C6 | 179.5° | 180.0° |
| O4 | C4 | C5 | C7 | 1.3° | 0.0° |
| O4 | C4 | N3 | H5 | 0.1° | 0.0° |
| C4 | C5 | C6 | C7 | 179.2° | 180.0° |
| C4 | C5 | C6 | H1 | 179.7° | 180.0° |
| C4 | C5 | C7 | H2 | 180.0° | 0.0° |
| C4 | C5 | C7 | H3 | 60.0° | 120.0° |
| C4 | C5 | C7 | H4 | 60.0° | 120.0° |
| C5 | C4 | N3 | H5 | 179.3° | 180.0° |
| O3' | C3' | C4' | H13 | 118.1° | 122.7° |
| O3' | C3' | C4' | O4' | 165.4° | 142.7° |
| O3' | C3' | C4' | C5' | 72.8° | 98.5° |
| O3' | C3' | C2' | H9 | 36.3° | 0.0° |
| O3' | C3' | C2' | H10 | 85.0° | 122.8° |
| O3' | C3' | C4' | H16 | 44.4° | 23.7° |
| C3' | C4' | O4' | C5' | 119.3° | 118.8° |
| C3' | C4' | O4' | H16 | 117.7° | 118.8° |
| C3' | C4' | C5' | H16 | 116.5° | 122.3° |
| C3' | C4' | C5' | O5' | 70.6° | 175.0° |
| C4' | C3' | C2' | H9 | 84.2° | 118.7° |
| C4' | C3' | C2' | H10 | 154.5° | 118.6° |
| C4' | C3' | O3' | H14 | 63.8° | 176.1° |
| C3' | C4' | C5' | H17 | 169.3° | 55.0° |
| C3' | C4' | C5' | H18 | 49.4° | 65.0° |
| O4' | C4' | C5' | H16 | 125.2° | 122.4° |
| O4' | C4' | C5' | O5' | 47.7° | 69.6° |
| C4' | O4' | C1' | H6 | 111.7° | 78.4° |
| O4' | C4' | C3' | H13 | 76.4° | 94.6° |
| O4' | C4' | C5' | H17 | 72.3° | 170.4° |
| O4' | C4' | C5' | H18 | 167.8° | 50.3° |
| C6 | C5 | C7 | H2 | 0.8° | 180.0° |
| C6 | C5 | C7 | H3 | 119.2° | 60.1° |
| C6 | C5 | C7 | H4 | 120.9° | 60.0° |
| C4' | C5' | O5' | H17 | 120.1° | 120.0° |
| C4' | C5' | O5' | H18 | 120.0° | 120.0° |
| C4' | C5' | O5' | PA | 139.1° | 180.0° |
| C5' | C4' | C3' | H13 | 45.3° | 24.2° |
| C4' | C5' | H17 | H18 | 119.9° | 120.0° |
| C7 | C5 | C6 | H1 | 1.1° | 0.1° |
| C5 | C7 | H2 | H3 | 120.0° | 119.9° |
| C5 | C7 | H2 | H4 | 120.0° | 120.0° |
| C5 | C7 | H3 | H4 | 120.0° | 120.0° |
| O2B | PB | O3A | O1B | 122.0° | 120.0° |
| O2B | PB | O3A | C3B | 115.4° | 120.0° |
| O2B | PB | O3A | PA | 149.5° | 60.0° |
| O2B | PB | O1B | C3B | 123.0° | 120.0° |
| O2B | PB | C3B | CL1 | 14.6° | 60.0° |
| O2B | PB | C3B | PG | 137.1° | 60.0° |
| O2B | PB | O1B | H11 | 0.0° | 180.0° |
| O2B | PB | C3B | H15 | 104.2° | 180.0° |
| C5' | O5' | PA | O3A | 64.1° | 175.0° |
| C5' | O5' | PA | O2A | 179.1° | 55.0° |
| C5' | O5' | PA | O1A | 57.6° | 65.1° |
| O5' | C5' | C4' | H16 | 172.9° | 52.8° |
| O5' | C5' | H17 | H18 | 119.9° | 120.0° |
| O5' | PA | O3A | PB | 119.4° | 165.0° |
| O5' | PA | O3A | O2A | 115.5° | 120.0° |
| O5' | PA | O3A | O1A | 120.1° | 120.0° |
| O5' | PA | O2A | O1A | 122.0° | 120.1° |
| O5' | PA | O1A | H7 | 120.9° | 60.0° |
| PA | O5' | C5' | H17 | 100.8° | 60.0° |
| PA | O5' | C5' | H18 | 19.1° | 60.0° |
| O3A | PB | O1B | C3B | 116.2° | 120.0° |
| O3A | PB | C3B | CL1 | 128.9° | 60.0° |
| PB | O3A | PA | O2A | 125.2° | 44.9° |
| PB | O3A | PA | O1A | 0.7° | 75.0° |
| O3A | PB | C3B | PG | 108.5° | 180.0° |
| O3A | PB | O1B | H11 | 120.7° | 60.0° |
| O3A | PB | C3B | H15 | 10.2° | 60.0° |
| PA | O3A | PB | O1B | 27.5° | 59.9° |
| PA | O3A | PB | C3B | 95.1° | 180.0° |
| O3A | PA | O2A | O1A | 124.5° | 120.0° |
| O3A | PA | O1A | H7 | 121.7° | 60.0° |
| O1B | PB | C3B | CL1 | 108.9° | 180.0° |
| O1B | PB | C3B | PG | 13.7° | 60.0° |
| O1B | PB | C3B | H15 | 132.4° | 60.1° |
| PB | C3B | CL1 | PG | 122.2° | 120.0° |
| PB | C3B | CL1 | H15 | 118.4° | 120.0° |
| PB | C3B | PG | H15 | 118.7° | 120.0° |
| PB | C3B | PG | O3G | 74.3° | 60.0° |
| PB | C3B | PG | O1G | 44.7° | 60.0° |
| PB | C3B | PG | O2G | 164.3° | 180.0° |
| C3B | PB | O1B | H11 | 123.1° | 60.0° |
| CL1 | C3B | PG | H15 | 119.8° | 120.0° |
| CL1 | C3B | PG | O3G | 47.2° | 180.0° |
| CL1 | C3B | PG | O1G | 166.2° | 60.0° |
| CL1 | C3B | PG | O2G | 74.2° | 60.0° |
| O2A | PA | O1A | H7 | 0.0° | 180.0° |
| C3B | PG | O3G | O1G | 118.3° | 120.0° |
| C3B | PG | O3G | O2G | 121.7° | 120.0° |
| C3B | PG | O1G | O2G | 120.6° | 120.0° |
| C3B | PG | O1G | H8 | 118.7° | 59.9° |
| C3B | PG | O2G | H12 | 120.7° | 180.0° |
| O3G | PG | O1G | O2G | 120.7° | 120.0° |
| O3G | PG | O1G | H8 | 0.0° | 179.9° |
| O3G | PG | O2G | H12 | 0.0° | 60.0° |
| O3G | PG | C3B | H15 | 167.0° | 60.0° |
| O1G | PG | O2G | H12 | 120.2° | 60.0° |
| O1G | PG | C3B | H15 | 74.0° | 179.9° |
| O2G | PG | O1G | H8 | 120.7° | 60.0° |
| O2G | PG | C3B | H15 | 45.6° | 60.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H6 | C1' | C2' | H9 | 20.0° | 23.7° |
| H6 | C1' | C2' | H10 | 101.3° | 146.4° |
| H9 | C2' | C3' | H13 | 161.7° | 122.7° |
| H10 | C2' | C3' | H13 | 40.4° | 0.0° |
| H13 | C3' | O3' | H14 | 53.1° | 61.2° |
| H13 | C3' | C4' | H16 | 162.6° | 146.4° |
| H16 | C4' | C5' | H17 | 52.9° | 67.2° |
| H16 | C4' | C5' | H18 | 67.1° | 172.7° |
