VA4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.31Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.48Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.30Å | |
| C2' | C3' | sing | 1.54Å | 1.49Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | O4' | sing | 1.44Å | 1.62Å | |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.38Å | |
| C3' | C4' | sing | 1.55Å | 1.59Å | |
| O4' | C4' | sing | 1.44Å | 1.23Å | |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| O2B | PB | doub | 1.48Å | 1.56Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| O5' | PA | sing | 1.61Å | 1.60Å | |
| PB | O3A | sing | 1.61Å | 1.59Å | |
| PB | O1B | sing | 1.61Å | 1.56Å | |
| PB | C3B | sing | 1.82Å | 1.88Å | |
| O3A | PA | sing | 1.61Å | 1.63Å | |
| CL1 | C3B | sing | 1.80Å | 1.75Å | |
| PA | O2A | doub | 1.48Å | 1.48Å | |
| PA | O1A | sing | 1.61Å | 1.53Å | |
| C3B | PG | sing | 1.82Å | 1.80Å | |
| PG | O3G | doub | 1.48Å | 1.46Å | |
| PG | O1G | sing | 1.61Å | 1.53Å | |
| PG | O2G | sing | 1.61Å | 1.59Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| N6 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| O1A | H6 | sing | 0.97Å | 0.95Å | |
| O1G | H7 | sing | 0.97Å | 0.95Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| O1B | H10 | sing | 0.97Å | 0.95Å | |
| O2G | H11 | sing | 0.97Å | 0.95Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| C3B | H14 | sing | 1.09Å | 1.10Å | |
| C4' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å | |
| C5' | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 122.9° | 122.5° |
| C2 | N1 | C6 | 121.3° | 121.2° |
| N1 | C2 | H1 | 118.5° | 118.8° |
| C2 | N3 | C4 | 119.0° | 120.6° |
| N3 | C2 | H1 | 118.5° | 118.7° |
| N1 | C6 | N6 | 120.5° | 120.8° |
| N1 | C6 | C5 | 119.4° | 118.4° |
| N3 | C4 | C5 | 121.2° | 119.1° |
| N3 | C4 | N9 | 132.9° | 135.0° |
| N6 | C6 | C5 | 120.1° | 120.8° |
| C6 | N6 | H2 | 109.5° | 120.0° |
| C6 | N6 | H3 | 109.5° | 120.1° |
| C6 | C5 | C4 | 116.1° | 118.2° |
| C6 | C5 | N7 | 135.9° | 134.7° |
| C5 | C4 | N9 | 105.9° | 106.0° |
| C4 | C5 | N7 | 108.0° | 107.1° |
| C4 | N9 | C1' | 124.3° | 126.3° |
| C4 | N9 | C8 | 108.7° | 107.5° |
| C1' | C2' | C3' | 106.0° | 104.1° |
| C2' | C1' | N9 | 108.7° | 110.4° |
| C2' | C1' | O4' | 105.2° | 104.8° |
| C2' | C1' | H5 | 113.4° | 110.4° |
| C1' | C2' | H8 | 110.3° | 110.5° |
| C1' | C2' | H9 | 110.3° | 110.5° |
| C2' | C3' | O3' | 114.5° | 110.5° |
| C2' | C3' | C4' | 100.1° | 104.1° |
| C3' | C2' | H8 | 110.3° | 110.5° |
| C3' | C2' | H9 | 110.3° | 110.6° |
| C2' | C3' | H12 | 109.7° | 110.5° |
| N9 | C1' | O4' | 110.2° | 110.4° |
| C1' | N9 | C8 | 127.0° | 126.3° |
| N9 | C1' | H5 | 110.6° | 110.3° |
| C1' | O4' | C4' | 108.5° | 105.3° |
| O4' | C1' | H5 | 108.5° | 110.3° |
| C5 | N7 | C8 | 107.1° | 109.5° |
| N9 | C8 | N7 | 110.3° | 110.0° |
| N9 | C8 | H4 | 124.9° | 125.0° |
| O3' | C3' | C4' | 112.1° | 110.5° |
| O3' | C3' | H12 | 111.3° | 110.6° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| C3' | C4' | O4' | 103.4° | 104.8° |
| C3' | C4' | C5' | 109.5° | 110.4° |
| C4' | C3' | H12 | 108.5° | 110.5° |
| C3' | C4' | H15 | 109.1° | 110.4° |
| O4' | C4' | C5' | 109.8° | 110.4° |
| O4' | C4' | H15 | 114.9° | 110.4° |
| N7 | C8 | H4 | 124.9° | 125.1° |
| C4' | C5' | O5' | 106.9° | 109.5° |
| C5' | C4' | H15 | 109.9° | 110.3° |
| C4' | C5' | H16 | 110.1° | 109.5° |
| C4' | C5' | H17 | 110.1° | 109.5° |
| O2B | PB | O3A | 107.1° | 109.4° |
| O2B | PB | O1B | 109.1° | 109.5° |
| O2B | PB | C3B | 109.5° | 109.5° |
| C5' | O5' | PA | 118.4° | 123.0° |
| O5' | C5' | H16 | 110.1° | 109.5° |
| O5' | C5' | H17 | 110.1° | 109.4° |
| O5' | PA | O3A | 104.5° | 109.5° |
| O5' | PA | O2A | 110.4° | 109.5° |
| O5' | PA | O1A | 110.3° | 109.5° |
| O3A | PB | O1B | 114.3° | 109.5° |
| O3A | PB | C3B | 104.6° | 109.5° |
| PB | O3A | PA | 133.9° | 134.0° |
| O1B | PB | C3B | 111.9° | 109.5° |
| PB | O1B | H10 | 109.5° | 114.0° |
| PB | C3B | CL1 | 112.7° | 109.5° |
| PB | C3B | PG | 111.9° | 109.5° |
| PB | C3B | H14 | 107.0° | 109.5° |
| O3A | PA | O2A | 107.2° | 109.5° |
| O3A | PA | O1A | 114.7° | 109.5° |
| CL1 | C3B | PG | 109.1° | 109.5° |
| CL1 | C3B | H14 | 108.2° | 109.4° |
| O2A | PA | O1A | 109.6° | 109.5° |
| PA | O1A | H6 | 109.5° | 114.0° |
| C3B | PG | O3G | 111.5° | 109.5° |
| C3B | PG | O1G | 108.0° | 109.4° |
| C3B | PG | O2G | 108.8° | 109.5° |
| PG | C3B | H14 | 107.7° | 109.5° |
| O3G | PG | O1G | 111.7° | 109.5° |
| O3G | PG | O2G | 108.9° | 109.5° |
| O1G | PG | O2G | 107.8° | 109.5° |
| PG | O1G | H7 | 109.5° | 114.0° |
| PG | O2G | H11 | 109.5° | 114.0° |
| H2 | N6 | H3 | 109.5° | 120.0° |
| H8 | C2' | H9 | 109.4° | 110.6° |
| H16 | C5' | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H1 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.7° | 0.0° |
| C2 | N1 | C6 | N6 | 179.3° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| N3 | C2 | N1 | C6 | 1.3° | 0.0° |
| C2 | N3 | C4 | C5 | 0.8° | 0.0° |
| C2 | N3 | C4 | N9 | 179.0° | 179.9° |
| N1 | C6 | N6 | C5 | 179.4° | 179.9° |
| N1 | C6 | C5 | C4 | 0.9° | 0.0° |
| N1 | C6 | C5 | N7 | 178.8° | 180.0° |
| C6 | N1 | C2 | H1 | 178.7° | 180.0° |
| N1 | C6 | N6 | H2 | 0.0° | 0.0° |
| N1 | C6 | N6 | H3 | 120.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.0° |
| N3 | C4 | C5 | N9 | 179.9° | 180.0° |
| N3 | C4 | N9 | C1' | 1.4° | 0.1° |
| N3 | C4 | C5 | N7 | 178.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.5° | 180.0° |
| C4 | N3 | C2 | H1 | 178.3° | 180.0° |
| N6 | C6 | C5 | C4 | 178.4° | 180.0° |
| N6 | C6 | C5 | N7 | 0.6° | 0.0° |
| C6 | N6 | H2 | H3 | 120.0° | 180.0° |
| C6 | C5 | C4 | N7 | 178.4° | 180.0° |
| C6 | C5 | C4 | N9 | 179.7° | 179.9° |
| C6 | C5 | N7 | C8 | 179.3° | 180.0° |
| C5 | C6 | N6 | H2 | 179.3° | 180.0° |
| C5 | C6 | N6 | H3 | 60.6° | 0.0° |
| C5 | C4 | N9 | C1' | 178.8° | 180.0° |
| C5 | C4 | N9 | C8 | 0.7° | 0.0° |
| C4 | C5 | N7 | C8 | 1.4° | 0.0° |
| C4 | N9 | C1' | C2' | 92.7° | 88.1° |
| C4 | N9 | C1' | C8 | 177.8° | 179.9° |
| C4 | N9 | C1' | O4' | 152.4° | 156.5° |
| N9 | C4 | C5 | N7 | 1.3° | 0.1° |
| C4 | N9 | C8 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | H4 | 179.8° | 179.9° |
| C4 | N9 | C1' | H5 | 32.4° | 34.3° |
| C1' | C2' | C3' | H8 | 119.5° | 118.6° |
| C1' | C2' | C3' | H9 | 119.5° | 118.6° |
| C2' | C1' | N9 | O4' | 114.9° | 115.4° |
| C2' | C1' | N9 | H5 | 125.1° | 122.4° |
| C2' | C1' | O4' | H5 | 121.7° | 118.9° |
| C2' | C1' | N9 | C8 | 85.1° | 91.8° |
| C1' | C2' | C3' | O3' | 157.4° | 118.6° |
| C1' | C2' | C3' | C4' | 37.3° | 0.0° |
| C2' | C1' | O4' | C4' | 4.1° | 40.5° |
| C1' | C2' | H8 | H9 | 121.6° | 122.6° |
| C1' | C2' | C3' | H12 | 76.7° | 118.6° |
| C3' | C2' | C1' | N9 | 95.3° | 142.8° |
| C3' | C2' | C1' | O4' | 22.7° | 24.0° |
| C2' | C3' | O3' | C4' | 113.2° | 114.7° |
| C2' | C3' | O3' | H12 | 125.1° | 122.7° |
| C2' | C3' | C4' | H12 | 114.9° | 118.6° |
| C2' | C3' | C4' | O4' | 39.7° | 24.0° |
| C2' | C3' | C4' | C5' | 156.7° | 142.8° |
| C3' | C2' | C1' | H5 | 141.2° | 94.9° |
| C3' | C2' | H8 | H9 | 121.6° | 122.8° |
| C2' | C3' | O3' | H13 | 140.8° | 61.5° |
| C2' | C3' | C4' | H15 | 83.0° | 95.0° |
| N9 | C1' | O4' | H5 | 121.2° | 122.2° |
| N9 | C1' | O4' | C4' | 121.1° | 159.4° |
| C1' | N9 | C8 | N7 | 177.9° | 180.0° |
| C1' | N9 | C8 | H4 | 2.1° | 0.0° |
| N9 | C1' | C2' | H8 | 145.2° | 98.5° |
| N9 | C1' | C2' | H9 | 24.2° | 24.2° |
| O4' | C1' | N9 | C8 | 29.8° | 23.6° |
| C1' | O4' | C4' | C3' | 26.7° | 40.5° |
| C1' | O4' | C4' | C5' | 143.5° | 159.3° |
| O4' | C1' | C2' | H8 | 96.7° | 142.6° |
| O4' | C1' | C2' | H9 | 142.2° | 94.7° |
| C1' | O4' | C4' | H15 | 92.0° | 78.4° |
| C5 | N7 | C8 | N9 | 1.0° | 0.0° |
| C5 | N7 | C8 | H4 | 179.0° | 180.0° |
| N9 | C8 | N7 | H4 | 180.0° | 180.0° |
| C8 | N9 | C1' | H5 | 149.8° | 145.8° |
| O3' | C3' | C4' | H12 | 123.3° | 122.7° |
| O3' | C3' | C4' | O4' | 161.5° | 142.6° |
| O3' | C3' | C4' | C5' | 81.5° | 98.6° |
| O3' | C3' | C2' | H8 | 37.9° | 0.1° |
| O3' | C3' | C2' | H9 | 83.2° | 122.7° |
| O3' | C3' | C4' | H15 | 38.8° | 23.7° |
| C3' | C4' | O4' | C5' | 116.8° | 118.8° |
| C3' | C4' | O4' | H15 | 118.7° | 118.9° |
| C3' | C4' | C5' | H15 | 119.8° | 122.3° |
| C3' | C4' | C5' | O5' | 60.3° | 175.0° |
| C4' | C3' | C2' | H8 | 82.2° | 118.6° |
| C4' | C3' | C2' | H9 | 156.7° | 118.6° |
| C4' | C3' | O3' | H13 | 106.0° | 176.1° |
| C3' | C4' | C5' | H16 | 179.9° | 55.0° |
| C3' | C4' | C5' | H17 | 59.3° | 65.0° |
| O4' | C4' | C5' | H15 | 127.3° | 122.3° |
| O4' | C4' | C5' | O5' | 52.6° | 69.6° |
| C4' | O4' | C1' | H5 | 117.6° | 78.4° |
| O4' | C4' | C3' | H12 | 75.2° | 94.7° |
| O4' | C4' | C5' | H16 | 67.0° | 170.3° |
| O4' | C4' | C5' | H17 | 172.2° | 50.4° |
| C4' | C5' | O5' | H16 | 119.6° | 120.0° |
| C4' | C5' | O5' | H17 | 119.6° | 120.0° |
| C4' | C5' | O5' | PA | 138.9° | 180.0° |
| C5' | C4' | C3' | H12 | 41.8° | 24.1° |
| C4' | C5' | H16 | H17 | 121.2° | 120.0° |
| O2B | PB | O3A | O1B | 121.0° | 120.0° |
| O2B | PB | O3A | C3B | 116.2° | 120.0° |
| O2B | PB | O1B | C3B | 121.4° | 120.0° |
| O2B | PB | O3A | PA | 143.1° | 60.0° |
| O2B | PB | C3B | CL1 | 20.2° | 60.0° |
| O2B | PB | C3B | PG | 143.7° | 60.0° |
| O2B | PB | O1B | H10 | 0.0° | 180.0° |
| O2B | PB | C3B | H14 | 98.5° | 180.0° |
| C5' | O5' | PA | O3A | 69.5° | 175.0° |
| C5' | O5' | PA | O2A | 175.5° | 55.0° |
| C5' | O5' | PA | O1A | 54.2° | 65.1° |
| O5' | C5' | C4' | H15 | 179.9° | 52.7° |
| O5' | C5' | H16 | H17 | 121.2° | 120.0° |
| O5' | PA | O3A | PB | 109.4° | 165.0° |
| O5' | PA | O3A | O2A | 117.2° | 120.0° |
| O5' | PA | O3A | O1A | 120.9° | 120.0° |
| O5' | PA | O2A | O1A | 121.7° | 120.0° |
| O5' | PA | O1A | H6 | 121.7° | 60.0° |
| PA | O5' | C5' | H16 | 101.5° | 59.9° |
| PA | O5' | C5' | H17 | 19.3° | 60.0° |
| O3A | PB | O1B | C3B | 118.7° | 120.0° |
| O3A | PB | C3B | CL1 | 134.7° | 60.0° |
| PB | O3A | PA | O2A | 133.5° | 45.0° |
| PB | O3A | PA | O1A | 11.5° | 75.0° |
| O3A | PB | C3B | PG | 101.8° | 180.0° |
| O3A | PB | O1B | H10 | 119.9° | 60.0° |
| O3A | PB | C3B | H14 | 16.0° | 60.0° |
| O1B | PB | O3A | PA | 22.1° | 60.0° |
| O1B | PB | C3B | CL1 | 100.9° | 180.0° |
| O1B | PB | C3B | PG | 22.5° | 60.0° |
| O1B | PB | C3B | H14 | 140.3° | 60.0° |
| C3B | PB | O3A | PA | 100.7° | 180.0° |
| PB | C3B | CL1 | PG | 125.0° | 120.0° |
| PB | C3B | CL1 | H14 | 118.1° | 120.0° |
| PB | C3B | PG | H14 | 117.3° | 120.0° |
| PB | C3B | PG | O3G | 87.7° | 60.0° |
| PB | C3B | PG | O1G | 35.4° | 60.0° |
| PB | C3B | PG | O2G | 152.2° | 180.0° |
| C3B | PB | O1B | H10 | 121.4° | 60.0° |
| O3A | PA | O2A | O1A | 125.1° | 120.0° |
| O3A | PA | O1A | H6 | 120.6° | 60.0° |
| CL1 | C3B | PG | H14 | 117.2° | 120.0° |
| CL1 | C3B | PG | O3G | 37.7° | 180.0° |
| CL1 | C3B | PG | O1G | 160.9° | 60.0° |
| CL1 | C3B | PG | O2G | 82.4° | 60.0° |
| O2A | PA | O1A | H6 | 0.0° | 180.0° |
| C3B | PG | O3G | O1G | 121.0° | 119.9° |
| C3B | PG | O3G | O2G | 120.1° | 120.0° |
| C3B | PG | O1G | O2G | 117.4° | 120.0° |
| C3B | PG | O1G | H7 | 123.0° | 60.1° |
| C3B | PG | O2G | H11 | 121.8° | 180.0° |
| O3G | PG | O1G | O2G | 119.6° | 120.0° |
| O3G | PG | O1G | H7 | 0.0° | 180.0° |
| O3G | PG | O2G | H11 | 0.0° | 60.0° |
| O3G | PG | C3B | H14 | 155.0° | 60.0° |
| O1G | PG | O2G | H11 | 121.3° | 60.1° |
| O1G | PG | C3B | H14 | 81.9° | 180.0° |
| O2G | PG | O1G | H7 | 119.6° | 59.9° |
| O2G | PG | C3B | H14 | 34.8° | 60.0° |
| H5 | C1' | C2' | H8 | 21.8° | 23.8° |
| H5 | C1' | C2' | H9 | 99.3° | 146.5° |
| H8 | C2' | C3' | H12 | 163.8° | 122.8° |
| H9 | C2' | C3' | H12 | 42.8° | 0.0° |
| H12 | C3' | O3' | H13 | 15.7° | 61.2° |
| H12 | C3' | C4' | H15 | 162.1° | 146.4° |
| H15 | C4' | C5' | H16 | 60.3° | 67.3° |
| H15 | C4' | C5' | H17 | 60.5° | 172.7° |
