FCJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.38Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.38Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C2' | C1' | sing | 1.54Å | 1.56Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.40Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.58Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.32Å | |
| O5' | PA | sing | 1.61Å | 1.81Å | |
| O3A | PB | sing | 1.61Å | 1.77Å | |
| O3A | PA | sing | 1.61Å | 1.55Å | |
| PB | O1B | sing | 1.61Å | 1.50Å | |
| PB | C3B | sing | 1.82Å | 1.69Å | |
| PA | O2A | doub | 1.48Å | 1.52Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| C3B | PG | sing | 1.82Å | 1.91Å | |
| PG | O3G | doub | 1.48Å | 1.51Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.53Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O1A | H2 | sing | 0.97Å | 0.95Å | |
| O1B | H3 | sing | 0.97Å | 0.95Å | |
| C3B | H4 | sing | 1.09Å | 1.10Å | |
| C3B | H5 | sing | 1.09Å | 1.10Å | |
| O1G | H6 | sing | 0.97Å | 0.95Å | |
| O2G | H7 | sing | 0.97Å | 0.95Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C1' | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| C2' | H16 | sing | 1.09Å | 1.10Å | |
| C3' | 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) |
| N3 | C2 | N1 | 130.3° | 122.4° |
| C2 | N3 | C4 | 112.2° | 120.6° |
| N3 | C2 | H12 | 114.8° | 118.8° |
| C2 | N1 | C6 | 116.0° | 121.2° |
| N1 | C2 | H12 | 114.9° | 118.8° |
| N3 | C4 | C5 | 123.8° | 119.1° |
| N3 | C4 | N9 | 129.9° | 134.9° |
| N1 | C6 | N6 | 116.5° | 120.8° |
| N1 | C6 | C5 | 120.6° | 118.5° |
| C5 | C4 | N9 | 106.2° | 106.0° |
| C4 | C5 | C6 | 117.1° | 118.2° |
| C4 | C5 | N7 | 110.3° | 107.1° |
| C4 | N9 | C1' | 126.8° | 126.3° |
| C4 | N9 | C8 | 105.6° | 107.4° |
| N6 | C6 | C5 | 122.9° | 120.7° |
| C6 | N6 | H13 | 109.5° | 120.0° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| C6 | C5 | N7 | 132.6° | 134.7° |
| C1' | C2' | C3' | 101.9° | 104.2° |
| C2' | C1' | N9 | 108.8° | 109.8° |
| C2' | C1' | O4' | 106.5° | 107.3° |
| C2' | C1' | H11 | 110.5° | 110.0° |
| C1' | C2' | H15 | 111.3° | 110.5° |
| C1' | C2' | H16 | 111.3° | 110.5° |
| C2' | C3' | O3' | 109.2° | 110.9° |
| C2' | C3' | C4' | 103.7° | 102.0° |
| C3' | C2' | H15 | 111.3° | 110.3° |
| C3' | C2' | H16 | 111.3° | 110.6° |
| C2' | C3' | H17 | 110.3° | 110.9° |
| N9 | C1' | O4' | 107.0° | 109.8° |
| C1' | N9 | C8 | 127.5° | 126.3° |
| N9 | C1' | H11 | 111.4° | 109.9° |
| C1' | O4' | C4' | 111.0° | 107.0° |
| O4' | C1' | H11 | 112.4° | 109.9° |
| C5 | N7 | C8 | 104.2° | 109.4° |
| N9 | C8 | N7 | 113.6° | 110.0° |
| N9 | C8 | H1 | 123.2° | 125.0° |
| O3' | C3' | C4' | 110.7° | 111.1° |
| O3' | C3' | H17 | 112.2° | 110.8° |
| C3' | O3' | H18 | 109.5° | 114.0° |
| C3' | C4' | O4' | 103.5° | 103.6° |
| C3' | C4' | C5' | 116.9° | 110.6° |
| C3' | C4' | H10 | 108.4° | 110.6° |
| C4' | C3' | H17 | 110.4° | 110.8° |
| O4' | C4' | C5' | 110.9° | 110.6° |
| O4' | C4' | H10 | 109.3° | 110.6° |
| N7 | C8 | H1 | 123.2° | 125.0° |
| C4' | C5' | O5' | 109.3° | 109.5° |
| C4' | C5' | H8 | 109.5° | 109.5° |
| C4' | C5' | H9 | 109.5° | 109.5° |
| C5' | C4' | H10 | 107.6° | 110.6° |
| O2B | PB | O3A | 98.8° | 109.5° |
| O2B | PB | O1B | 118.3° | 109.5° |
| O2B | PB | C3B | 114.0° | 109.5° |
| C5' | O5' | PA | 117.6° | 123.0° |
| O5' | C5' | H8 | 109.5° | 109.5° |
| O5' | C5' | H9 | 109.5° | 109.5° |
| O5' | PA | O3A | 100.2° | 109.4° |
| O5' | PA | O2A | 93.2° | 109.5° |
| O5' | PA | O1A | 93.5° | 109.4° |
| PB | O3A | PA | 126.7° | 134.0° |
| O3A | PB | O1B | 88.8° | 109.4° |
| O3A | PB | C3B | 112.3° | 109.5° |
| O3A | PA | O2A | 120.7° | 109.5° |
| O3A | PA | O1A | 118.2° | 109.5° |
| O1B | PB | C3B | 118.9° | 109.5° |
| PB | O1B | H3 | 109.5° | 114.0° |
| PB | C3B | PG | 122.0° | 109.5° |
| PB | C3B | H4 | 106.3° | 109.5° |
| PB | C3B | H5 | 106.2° | 109.5° |
| O2A | PA | O1A | 118.2° | 109.5° |
| PA | O1A | H2 | 109.5° | 114.0° |
| C3B | PG | O3G | 107.0° | 109.5° |
| C3B | PG | O1G | 105.6° | 109.5° |
| C3B | PG | O2G | 105.3° | 109.5° |
| PG | C3B | H4 | 106.2° | 109.5° |
| PG | C3B | H5 | 106.2° | 109.4° |
| O3G | PG | O1G | 115.3° | 109.5° |
| O3G | PG | O2G | 111.2° | 109.5° |
| O1G | PG | O2G | 111.6° | 109.5° |
| PG | O1G | H6 | 109.5° | 114.0° |
| PG | O2G | H7 | 109.5° | 114.0° |
| H4 | C3B | H5 | 109.4° | 109.5° |
| H8 | C5' | H9 | 109.5° | 109.5° |
| H13 | N6 | H14 | 109.4° | 120.0° |
| H15 | C2' | H16 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | H12 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | N3 | C4 | C5 | 0.8° | 0.0° |
| C2 | N3 | C4 | N9 | 179.7° | 179.6° |
| N1 | C2 | N3 | C4 | 0.7° | 0.0° |
| C2 | N1 | C6 | N6 | 179.1° | 180.0° |
| C2 | N1 | C6 | C5 | 1.3° | 0.0° |
| N3 | C4 | C5 | N9 | 179.6° | 179.7° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | N9 | C1' | 0.7° | 0.3° |
| N3 | C4 | C5 | N7 | 179.2° | 180.0° |
| N3 | C4 | N9 | C8 | 179.1° | 179.7° |
| C4 | N3 | C2 | H12 | 179.3° | 180.0° |
| N1 | C6 | C5 | C4 | 1.2° | 0.0° |
| N1 | C6 | N6 | C5 | 179.6° | 180.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| C6 | N1 | C2 | H12 | 179.8° | 179.9° |
| N1 | C6 | N6 | H13 | 0.0° | 0.0° |
| N1 | C6 | N6 | H14 | 120.0° | 180.0° |
| C4 | C5 | C6 | N6 | 179.2° | 180.0° |
| C4 | C5 | C6 | N7 | 178.8° | 180.0° |
| C5 | C4 | N9 | C1' | 178.9° | 180.0° |
| C5 | C4 | N9 | C8 | 0.5° | 0.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.4° |
| N9 | C4 | C5 | C6 | 179.5° | 179.7° |
| C4 | N9 | C1' | C2' | 92.5° | 85.7° |
| C4 | N9 | C1' | C8 | 178.0° | 180.0° |
| C4 | N9 | C1' | O4' | 152.8° | 156.5° |
| N9 | C4 | C5 | N7 | 0.4° | 0.3° |
| C4 | N9 | C8 | N7 | 0.4° | 0.3° |
| C4 | N9 | C8 | H1 | 179.6° | 180.0° |
| C4 | N9 | C1' | H11 | 29.5° | 35.5° |
| N6 | C6 | C5 | N7 | 0.4° | 0.0° |
| C6 | N6 | H13 | H14 | 120.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.0° | 179.6° |
| C5 | C6 | N6 | H13 | 179.6° | 180.0° |
| C5 | C6 | N6 | H14 | 59.6° | 0.0° |
| C1' | C2' | C3' | H15 | 118.8° | 118.6° |
| C1' | C2' | C3' | H16 | 118.8° | 118.8° |
| C2' | C1' | N9 | O4' | 114.7° | 117.8° |
| C2' | C1' | N9 | H11 | 122.0° | 121.2° |
| C2' | C1' | O4' | H11 | 121.1° | 119.6° |
| C2' | C1' | N9 | C8 | 85.5° | 94.3° |
| C1' | C2' | C3' | O3' | 151.9° | 139.1° |
| C1' | C2' | C3' | C4' | 33.8° | 20.6° |
| C2' | C1' | O4' | C4' | 2.4° | 26.6° |
| C1' | C2' | H15 | H16 | 123.5° | 122.6° |
| C1' | C2' | C3' | H17 | 84.4° | 97.4° |
| C3' | C2' | C1' | N9 | 95.1° | 121.6° |
| C3' | C2' | C1' | O4' | 20.0° | 2.2° |
| C2' | C3' | O3' | C4' | 113.6° | 112.8° |
| C2' | C3' | O3' | H17 | 122.7° | 123.6° |
| C2' | C3' | C4' | H17 | 118.1° | 118.1° |
| C2' | C3' | C4' | O4' | 36.0° | 36.8° |
| C2' | C3' | C4' | C5' | 158.2° | 155.4° |
| C2' | C3' | C4' | H10 | 80.0° | 81.7° |
| C3' | C2' | C1' | H11 | 142.3° | 117.3° |
| C3' | C2' | H15 | H16 | 123.5° | 122.7° |
| C2' | C3' | O3' | H18 | 138.2° | 61.5° |
| N9 | C1' | O4' | H11 | 122.6° | 121.0° |
| N9 | C1' | O4' | C4' | 118.6° | 145.9° |
| C1' | N9 | C8 | N7 | 178.7° | 179.7° |
| C1' | N9 | C8 | H1 | 1.3° | 0.0° |
| N9 | C1' | C2' | H15 | 146.2° | 119.9° |
| N9 | C1' | C2' | H16 | 23.7° | 2.7° |
| O4' | C1' | N9 | C8 | 29.2° | 23.5° |
| C1' | O4' | C4' | C3' | 24.0° | 40.0° |
| C1' | O4' | C4' | C5' | 150.1° | 158.6° |
| C1' | O4' | C4' | H10 | 91.3° | 78.6° |
| O4' | C1' | C2' | H15 | 98.8° | 120.7° |
| O4' | C1' | C2' | H16 | 138.7° | 116.6° |
| C5 | N7 | C8 | N9 | 0.1° | 0.4° |
| C5 | N7 | C8 | H1 | 179.9° | 179.8° |
| N9 | C8 | N7 | H1 | 180.0° | 179.7° |
| C8 | N9 | C1' | H11 | 152.5° | 144.5° |
| O3' | C3' | C4' | H17 | 124.8° | 123.7° |
| O3' | C3' | C4' | O4' | 153.0° | 155.1° |
| O3' | C3' | C4' | C5' | 84.7° | 86.4° |
| O3' | C3' | C4' | H10 | 37.0° | 36.5° |
| O3' | C3' | C2' | H15 | 33.1° | 20.5° |
| O3' | C3' | C2' | H16 | 89.4° | 102.2° |
| C3' | C4' | O4' | C5' | 126.2° | 118.6° |
| C3' | C4' | O4' | H10 | 115.3° | 118.6° |
| C3' | C4' | C5' | H10 | 122.1° | 122.9° |
| C3' | C4' | C5' | O5' | 62.4° | 177.2° |
| C3' | C4' | C5' | H8 | 177.6° | 62.8° |
| C3' | C4' | C5' | H9 | 57.5° | 57.2° |
| C4' | C3' | C2' | H15 | 84.9° | 97.9° |
| C4' | C3' | C2' | H16 | 152.6° | 139.4° |
| C4' | C3' | O3' | H18 | 108.2° | 174.2° |
| O4' | C4' | C5' | H10 | 119.5° | 122.9° |
| O4' | C4' | C5' | O5' | 55.9° | 68.6° |
| O4' | C4' | C5' | H8 | 64.1° | 51.4° |
| O4' | C4' | C5' | H9 | 175.9° | 171.4° |
| C4' | O4' | C1' | H11 | 118.7° | 93.1° |
| O4' | C4' | C3' | H17 | 82.2° | 81.2° |
| C4' | C5' | O5' | H8 | 120.0° | 120.0° |
| C4' | C5' | O5' | H9 | 120.0° | 120.0° |
| C4' | C5' | O5' | PA | 122.7° | 180.0° |
| C4' | C5' | H8 | H9 | 120.1° | 120.0° |
| C5' | C4' | C3' | H17 | 40.1° | 37.3° |
| O2B | PB | O3A | O1B | 118.5° | 120.0° |
| O2B | PB | O3A | C3B | 120.6° | 120.1° |
| O2B | PB | O3A | PA | 156.3° | 59.9° |
| O2B | PB | O1B | C3B | 145.6° | 120.0° |
| O2B | PB | C3B | PG | 151.9° | 60.0° |
| O2B | PB | O1B | H3 | 0.0° | 180.0° |
| O2B | PB | C3B | H4 | 30.2° | 60.0° |
| O2B | PB | C3B | H5 | 86.4° | 179.9° |
| C5' | O5' | PA | O3A | 63.0° | 175.0° |
| C5' | O5' | PA | O2A | 175.1° | 55.0° |
| C5' | O5' | PA | O1A | 56.5° | 65.0° |
| O5' | C5' | H8 | H9 | 120.1° | 120.0° |
| O5' | C5' | C4' | H10 | 175.4° | 54.3° |
| O5' | PA | O3A | PB | 120.0° | 165.1° |
| O5' | PA | O3A | O2A | 99.9° | 120.0° |
| O5' | PA | O3A | O1A | 99.6° | 119.9° |
| O5' | PA | O2A | O1A | 95.7° | 120.0° |
| O5' | PA | O1A | H2 | 95.5° | 60.0° |
| PA | O5' | C5' | H8 | 117.3° | 60.0° |
| PA | O5' | C5' | H9 | 2.8° | 60.0° |
| O3A | PB | O1B | C3B | 115.0° | 120.0° |
| PB | O3A | PA | O2A | 140.1° | 45.0° |
| PB | O3A | PA | O1A | 20.4° | 75.0° |
| O3A | PB | C3B | PG | 96.7° | 180.0° |
| O3A | PB | O1B | H3 | 99.4° | 60.0° |
| O3A | PB | C3B | H4 | 141.5° | 60.0° |
| O3A | PB | C3B | H5 | 25.0° | 60.0° |
| PA | O3A | PB | O1B | 37.9° | 60.1° |
| PA | O3A | PB | C3B | 83.1° | 180.0° |
| O3A | PA | O2A | O1A | 160.5° | 120.0° |
| O3A | PA | O1A | H2 | 161.0° | 60.0° |
| O1B | PB | C3B | PG | 4.8° | 60.0° |
| O1B | PB | C3B | H4 | 116.9° | 180.0° |
| O1B | PB | C3B | H5 | 126.6° | 59.9° |
| PB | C3B | PG | H4 | 121.8° | 120.0° |
| PB | C3B | PG | H5 | 121.7° | 120.0° |
| PB | C3B | PG | O3G | 99.3° | 60.0° |
| PB | C3B | PG | O1G | 24.0° | 180.0° |
| PB | C3B | PG | O2G | 142.2° | 60.0° |
| C3B | PB | O1B | H3 | 145.7° | 60.0° |
| PB | C3B | H4 | H5 | 114.3° | 120.0° |
| O2A | PA | O1A | H2 | 0.0° | 180.0° |
| C3B | PG | O3G | O1G | 117.1° | 120.0° |
| C3B | PG | O3G | O2G | 114.5° | 120.0° |
| C3B | PG | O1G | O2G | 113.9° | 120.0° |
| PG | C3B | H4 | H5 | 114.3° | 120.0° |
| C3B | PG | O1G | H6 | 117.9° | 180.0° |
| C3B | PG | O2G | H7 | 115.5° | 60.0° |
| O3G | PG | O1G | O2G | 128.2° | 120.0° |
| O3G | PG | C3B | H4 | 22.4° | 60.0° |
| O3G | PG | C3B | H5 | 138.9° | 180.0° |
| O3G | PG | O1G | H6 | 0.0° | 60.0° |
| O3G | PG | O2G | H7 | 0.0° | 180.0° |
| O1G | PG | C3B | H4 | 145.8° | 60.0° |
| O1G | PG | C3B | H5 | 97.7° | 60.0° |
| O1G | PG | O2G | H7 | 130.4° | 60.0° |
| O2G | PG | C3B | H4 | 96.0° | 180.0° |
| O2G | PG | C3B | H5 | 20.5° | 60.0° |
| O2G | PG | O1G | H6 | 128.2° | 60.0° |
| H8 | C5' | C4' | H10 | 55.5° | 174.3° |
| H9 | C5' | C4' | H10 | 64.6° | 65.7° |
| H10 | C4' | C3' | H17 | 161.9° | 160.2° |
| H11 | C1' | C2' | H15 | 23.6° | 1.2° |
| H11 | C1' | C2' | H16 | 98.9° | 123.8° |
| H15 | C2' | C3' | H17 | 156.9° | 144.1° |
| H16 | C2' | C3' | H17 | 34.4° | 21.4° |
| H17 | C3' | O3' | H18 | 15.5° | 62.1° |
