SGT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | sing | 1.37Å | 1.34Å | |
| C2 | N1 | sing | 1.36Å | 1.35Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| N1 | C6 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.34Å | 1.33Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| C2' | C3' | sing | 1.55Å | 1.47Å | |
| C6 | S6 | doub | 1.71Å | 1.70Å | |
| C6 | C5 | sing | 1.41Å | 1.41Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C5 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.55Å | 1.56Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| O1B | 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 | 1.61Å | |
| PB | O2B | sing | 1.61Å | 1.52Å | |
| PB | O3B | sing | 1.61Å | 1.64Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| O3B | PG | sing | 1.61Å | 1.59Å | |
| PA | O2A | doub | 1.48Å | 1.51Å | |
| PA | O1A | sing | 1.61Å | 1.51Å | |
| PG | O2G | doub | 1.48Å | 1.49Å | |
| PG | O3G | sing | 1.61Å | 1.50Å | |
| PG | O1G | sing | 1.61Å | 1.51Å | |
| O1G | H1 | sing | 0.97Å | 0.95Å | |
| O3G | H2 | sing | 0.97Å | 0.95Å | |
| O2B | H3 | sing | 0.97Å | 0.95Å | |
| O1A | H4 | sing | 0.97Å | 0.95Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C2 | N1 | 118.9° | 119.0° |
| N2 | C2 | N3 | 116.0° | 119.0° |
| C2 | N2 | H15 | 120.0° | 120.0° |
| C2 | N2 | H16 | 120.0° | 120.0° |
| N1 | C2 | N3 | 125.0° | 121.9° |
| C2 | N1 | C6 | 124.6° | 120.3° |
| C2 | N1 | H14 | 117.7° | 119.9° |
| C2 | N3 | C4 | 111.5° | 121.1° |
| N1 | C6 | S6 | 120.9° | 120.8° |
| N1 | C6 | C5 | 111.7° | 118.4° |
| C6 | N1 | H14 | 117.7° | 119.8° |
| N3 | C4 | C5 | 127.7° | 119.7° |
| N3 | C4 | N9 | 125.6° | 134.2° |
| C1' | C2' | C3' | 101.4° | 104.1° |
| C2' | C1' | N9 | 112.2° | 109.9° |
| C2' | C1' | O4' | 105.9° | 107.3° |
| C1' | C2' | H10 | 111.5° | 110.4° |
| C1' | C2' | H11 | 111.4° | 110.5° |
| C2' | C1' | H12 | 108.9° | 109.8° |
| C2' | C3' | O3' | 113.6° | 110.9° |
| C2' | C3' | C4' | 99.6° | 102.1° |
| C2' | C3' | H8 | 111.6° | 110.9° |
| C3' | C2' | H10 | 111.4° | 110.5° |
| C3' | C2' | H11 | 111.5° | 110.5° |
| S6 | C6 | C5 | 127.3° | 120.8° |
| C6 | C5 | C4 | 119.4° | 118.6° |
| C6 | C5 | N7 | 132.6° | 134.1° |
| C5 | C4 | N9 | 106.7° | 106.1° |
| C4 | C5 | N7 | 108.0° | 107.3° |
| C4 | N9 | C1' | 125.9° | 126.3° |
| C4 | N9 | C8 | 108.6° | 107.5° |
| N9 | C1' | O4' | 109.7° | 109.9° |
| C1' | N9 | C8 | 125.5° | 126.2° |
| N9 | C1' | H12 | 109.6° | 109.9° |
| C1' | O4' | C4' | 109.3° | 107.0° |
| O4' | C1' | H12 | 110.5° | 110.0° |
| C5 | N7 | C8 | 106.8° | 109.3° |
| N9 | C8 | N7 | 109.9° | 109.8° |
| N9 | C8 | H13 | 125.1° | 125.1° |
| O3' | C3' | C4' | 108.7° | 110.9° |
| O3' | C3' | H8 | 112.3° | 110.8° |
| C3' | O3' | H9 | 109.5° | 114.0° |
| C3' | C4' | O4' | 101.4° | 103.6° |
| C3' | C4' | C5' | 112.4° | 110.6° |
| C3' | C4' | H7 | 110.5° | 110.6° |
| C4' | C3' | H8 | 110.3° | 110.9° |
| O4' | C4' | C5' | 109.5° | 110.6° |
| O4' | C4' | H7 | 112.1° | 110.6° |
| N7 | C8 | H13 | 125.1° | 125.1° |
| C4' | C5' | O5' | 107.5° | 109.5° |
| C4' | C5' | H5 | 110.0° | 109.5° |
| C4' | C5' | H6 | 110.0° | 109.4° |
| C5' | C4' | H7 | 110.6° | 110.6° |
| O1B | PB | O3A | 107.6° | 109.5° |
| O1B | PB | O2B | 111.0° | 109.5° |
| O1B | PB | O3B | 106.9° | 109.5° |
| C5' | O5' | PA | 117.2° | 123.0° |
| O5' | C5' | H5 | 110.0° | 109.5° |
| O5' | C5' | H6 | 109.9° | 109.5° |
| O5' | PA | O3A | 108.6° | 109.5° |
| O5' | PA | O2A | 108.4° | 109.5° |
| O5' | PA | O1A | 112.3° | 109.4° |
| O3A | PB | O2B | 113.5° | 109.5° |
| O3A | PB | O3B | 104.9° | 109.4° |
| PB | O3A | PA | 128.3° | 134.0° |
| O2B | PB | O3B | 112.5° | 109.5° |
| PB | O2B | H3 | 109.5° | 114.0° |
| PB | O3B | PG | 124.1° | 134.0° |
| O3A | PA | O2A | 106.4° | 109.5° |
| O3A | PA | O1A | 108.7° | 109.5° |
| O3B | PG | O2G | 107.7° | 109.5° |
| O3B | PG | O3G | 110.0° | 109.5° |
| O3B | PG | O1G | 108.4° | 109.4° |
| O2A | PA | O1A | 112.2° | 109.5° |
| PA | O1A | H4 | 109.5° | 114.0° |
| O2G | PG | O3G | 106.8° | 109.5° |
| O2G | PG | O1G | 113.7° | 109.5° |
| O3G | PG | O1G | 110.0° | 109.5° |
| PG | O3G | H2 | 109.5° | 114.0° |
| PG | O1G | H1 | 109.5° | 114.0° |
| H5 | C5' | H6 | 109.5° | 109.4° |
| H10 | C2' | H11 | 109.5° | 110.5° |
| H15 | N2 | H16 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C2 | N1 | N3 | 178.3° | 179.9° |
| N2 | C2 | N1 | C6 | 179.9° | 180.0° |
| N2 | C2 | N3 | C4 | 178.1° | 179.7° |
| N2 | C2 | N1 | H14 | 0.0° | 0.1° |
| C2 | N2 | H15 | H16 | 180.0° | 180.0° |
| C2 | N1 | C6 | H14 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.2° |
| C2 | N1 | C6 | S6 | 177.1° | 179.9° |
| C2 | N1 | C6 | C5 | 2.2° | 0.0° |
| N1 | C2 | N2 | H15 | 178.5° | 0.0° |
| N1 | C2 | N2 | H16 | 1.5° | 180.0° |
| N3 | C2 | N1 | C6 | 1.6° | 0.0° |
| C2 | N3 | C4 | C5 | 1.3° | 0.5° |
| C2 | N3 | C4 | N9 | 179.9° | 179.6° |
| N3 | C2 | N1 | H14 | 178.3° | 180.0° |
| N3 | C2 | N2 | H15 | 0.0° | 179.9° |
| N3 | C2 | N2 | H16 | 180.0° | 0.0° |
| N1 | C6 | S6 | C5 | 179.2° | 179.9° |
| N1 | C6 | C5 | C4 | 1.1° | 0.3° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.5° |
| N3 | C4 | C5 | N9 | 178.9° | 179.4° |
| N3 | C4 | N9 | C1' | 1.2° | 0.7° |
| N3 | C4 | C5 | N7 | 178.4° | 179.7° |
| N3 | C4 | N9 | C8 | 178.0° | 179.6° |
| C1' | C2' | C3' | H10 | 118.7° | 118.6° |
| C1' | C2' | C3' | H11 | 118.7° | 118.7° |
| C2' | C1' | N9 | C4 | 92.4° | 84.7° |
| C2' | C1' | N9 | O4' | 117.4° | 117.9° |
| C2' | C1' | N9 | H12 | 121.1° | 121.0° |
| C2' | C1' | O4' | H12 | 117.7° | 119.4° |
| C2' | C1' | N9 | C8 | 83.9° | 95.0° |
| C1' | C2' | C3' | O3' | 159.8° | 139.1° |
| C1' | C2' | C3' | C4' | 44.5° | 20.8° |
| C2' | C1' | O4' | C4' | 1.9° | 26.4° |
| C1' | C2' | C3' | H8 | 72.0° | 97.4° |
| C1' | C2' | H10 | H11 | 123.8° | 122.6° |
| C3' | C2' | C1' | N9 | 89.0° | 121.5° |
| C3' | C2' | C1' | O4' | 30.6° | 2.0° |
| C2' | C3' | O3' | C4' | 109.8° | 112.7° |
| C2' | C3' | O3' | H8 | 127.8° | 123.6° |
| C2' | C3' | C4' | H8 | 117.5° | 118.2° |
| C2' | C3' | C4' | O4' | 44.0° | 36.9° |
| C2' | C3' | C4' | C5' | 160.9° | 155.5° |
| C2' | C3' | C4' | H7 | 75.1° | 81.6° |
| C2' | C3' | O3' | H9 | 180.0° | 67.3° |
| C3' | C2' | H10 | H11 | 123.8° | 122.7° |
| C3' | C2' | C1' | H12 | 149.5° | 117.6° |
| S6 | C6 | C5 | C4 | 178.2° | 179.8° |
| S6 | C6 | C5 | N7 | 0.6° | 0.0° |
| S6 | C6 | N1 | H14 | 2.9° | 0.0° |
| C6 | C5 | C4 | N7 | 179.0° | 179.8° |
| C6 | C5 | C4 | N9 | 179.6° | 179.9° |
| C6 | C5 | N7 | C8 | 178.8° | 180.0° |
| C5 | C6 | N1 | H14 | 177.8° | 180.0° |
| C5 | C4 | N9 | C1' | 177.8° | 179.9° |
| C5 | C4 | N9 | C8 | 1.0° | 0.3° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| C4 | N9 | C1' | C8 | 176.3° | 179.7° |
| C4 | N9 | C1' | O4' | 150.2° | 157.5° |
| N9 | C4 | C5 | N7 | 0.5° | 0.3° |
| C4 | N9 | C8 | N7 | 1.1° | 0.2° |
| C4 | N9 | C1' | H12 | 28.7° | 36.3° |
| C4 | N9 | C8 | H13 | 178.9° | 179.8° |
| N9 | C1' | O4' | H12 | 121.0° | 121.1° |
| N9 | C1' | O4' | C4' | 119.4° | 145.8° |
| C1' | N9 | C8 | N7 | 177.9° | 180.0° |
| N9 | C1' | C2' | H10 | 152.4° | 2.8° |
| N9 | C1' | C2' | H11 | 29.7° | 119.9° |
| C1' | N9 | C8 | H13 | 2.1° | 0.0° |
| O4' | C1' | N9 | C8 | 33.5° | 22.8° |
| C1' | O4' | C4' | C3' | 25.7° | 40.0° |
| C1' | O4' | C4' | C5' | 144.7° | 158.5° |
| C1' | O4' | C4' | H7 | 92.2° | 78.6° |
| O4' | C1' | C2' | H10 | 88.0° | 116.7° |
| O4' | C1' | C2' | H11 | 149.3° | 120.7° |
| C5 | N7 | C8 | N9 | 0.7° | 0.0° |
| C5 | N7 | C8 | H13 | 179.3° | 180.0° |
| N9 | C8 | N7 | H13 | 180.0° | 180.0° |
| C8 | N9 | C1' | H12 | 155.0° | 144.0° |
| O3' | C3' | C4' | H8 | 123.5° | 123.6° |
| O3' | C3' | C4' | O4' | 163.0° | 155.1° |
| O3' | C3' | C4' | C5' | 80.1° | 86.3° |
| O3' | C3' | C4' | H7 | 43.9° | 36.6° |
| O3' | C3' | C2' | H10 | 41.2° | 102.3° |
| O3' | C3' | C2' | H11 | 81.5° | 20.4° |
| C3' | C4' | O4' | C5' | 119.0° | 118.6° |
| C3' | C4' | O4' | H7 | 117.9° | 118.5° |
| C3' | C4' | C5' | H7 | 124.0° | 122.9° |
| C3' | C4' | C5' | O5' | 54.6° | 177.2° |
| C3' | C4' | C5' | H5 | 174.3° | 62.8° |
| C3' | C4' | C5' | H6 | 65.1° | 57.2° |
| C4' | C3' | O3' | H9 | 70.2° | 180.0° |
| C4' | C3' | C2' | H10 | 74.2° | 139.4° |
| C4' | C3' | C2' | H11 | 163.2° | 97.9° |
| O4' | C4' | C5' | H7 | 124.1° | 122.9° |
| O4' | C4' | C5' | O5' | 57.3° | 68.6° |
| O4' | C4' | C5' | H5 | 62.4° | 51.5° |
| O4' | C4' | C5' | H6 | 177.0° | 171.4° |
| O4' | C4' | C3' | H8 | 73.5° | 81.3° |
| C4' | O4' | C1' | H12 | 119.6° | 93.1° |
| C4' | C5' | O5' | H5 | 119.7° | 120.0° |
| C4' | C5' | O5' | H6 | 119.7° | 120.0° |
| C4' | C5' | O5' | PA | 142.8° | 180.0° |
| C4' | C5' | H5 | H6 | 120.9° | 119.9° |
| C5' | C4' | C3' | H8 | 43.4° | 37.3° |
| O1B | PB | O3A | O2B | 123.2° | 120.0° |
| O1B | PB | O3A | O3B | 113.6° | 120.0° |
| O1B | PB | O2B | O3B | 119.8° | 120.0° |
| O1B | PB | O3A | PA | 131.0° | 45.1° |
| O1B | PB | O3B | PG | 157.5° | 40.1° |
| O1B | PB | O2B | H3 | 0.0° | 180.0° |
| C5' | O5' | PA | O3A | 85.7° | 175.0° |
| C5' | O5' | PA | O2A | 159.1° | 55.0° |
| C5' | O5' | PA | O1A | 34.7° | 65.0° |
| O5' | C5' | H5 | H6 | 120.9° | 120.0° |
| O5' | C5' | C4' | H7 | 178.6° | 54.3° |
| O5' | PA | O3A | PB | 97.0° | 165.0° |
| O5' | PA | O3A | O2A | 116.5° | 120.0° |
| O5' | PA | O3A | O1A | 122.5° | 120.0° |
| O5' | PA | O2A | O1A | 124.6° | 120.0° |
| O5' | PA | O1A | H4 | 122.4° | 60.0° |
| PA | O5' | C5' | H5 | 97.5° | 60.0° |
| PA | O5' | C5' | H6 | 23.1° | 60.0° |
| O3A | PB | O2B | O3B | 118.9° | 120.0° |
| O3A | PB | O3B | PG | 88.5° | 160.0° |
| PB | O3A | PA | O2A | 146.5° | 45.0° |
| PB | O3A | PA | O1A | 25.5° | 75.1° |
| O3A | PB | O2B | H3 | 121.3° | 60.0° |
| O2B | PB | O3A | PA | 7.8° | 75.0° |
| O2B | PB | O3B | PG | 35.3° | 80.0° |
| O3B | PB | O3A | PA | 115.4° | 165.0° |
| PB | O3B | PG | O2G | 101.8° | 39.9° |
| PB | O3B | PG | O3G | 14.3° | 160.0° |
| PB | O3B | PG | O1G | 134.7° | 80.1° |
| O3B | PB | O2B | H3 | 119.8° | 60.0° |
| O3A | PA | O2A | O1A | 118.8° | 120.0° |
| O3A | PA | O1A | H4 | 117.4° | 60.0° |
| O3B | PG | O2G | O3G | 118.2° | 120.0° |
| O3B | PG | O2G | O1G | 120.3° | 120.0° |
| O3B | PG | O3G | O1G | 119.4° | 119.9° |
| O3B | PG | O1G | H1 | 119.8° | 60.0° |
| O3B | PG | O3G | H2 | 116.7° | 180.0° |
| O2A | PA | O1A | H4 | 0.0° | 180.0° |
| O2G | PG | O3G | O1G | 123.9° | 120.0° |
| O2G | PG | O1G | H1 | 0.0° | 180.0° |
| O2G | PG | O3G | H2 | 0.0° | 60.0° |
| O3G | PG | O1G | H1 | 119.8° | 60.0° |
| O1G | PG | O3G | H2 | 123.9° | 60.1° |
| H5 | C5' | C4' | H7 | 61.7° | 174.3° |
| H6 | C5' | C4' | H7 | 58.9° | 65.7° |
| H7 | C4' | C3' | H8 | 167.4° | 160.2° |
| H8 | C3' | O3' | H9 | 52.2° | 56.4° |
| H8 | C3' | C2' | H10 | 169.3° | 21.2° |
| H8 | C3' | C2' | H11 | 46.6° | 143.9° |
| H10 | C2' | C1' | H12 | 30.8° | 123.8° |
| H11 | C2' | C1' | H12 | 91.9° | 1.1° |
