VA5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.41Å | |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C2' | C3' | sing | 1.55Å | 1.31Å | |
| C2' | C1' | sing | 1.55Å | 1.50Å | |
| C5 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| C3' | O3' | sing | 1.43Å | 1.50Å | |
| C3' | C4' | sing | 1.54Å | 1.64Å | |
| N9 | C1' | sing | 1.46Å | 1.34Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| C1' | O4' | sing | 1.44Å | 1.50Å | |
| O4' | C4' | sing | 1.43Å | 1.27Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.58Å | |
| O2B | PB | doub | 1.48Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O5' | PA | sing | 1.61Å | 1.61Å | |
| PB | O3A | sing | 1.61Å | 1.60Å | |
| PB | O1B | sing | 1.61Å | 1.54Å | |
| PB | C3B | sing | 1.82Å | 1.83Å | |
| O3A | PA | sing | 1.61Å | 1.60Å | |
| F3B | C3B | sing | 1.40Å | 1.37Å | |
| PA | O2A | doub | 1.48Å | 1.47Å | |
| PA | O1A | sing | 1.61Å | 1.51Å | |
| C3B | CL1 | sing | 1.80Å | 1.72Å | |
| C3B | PG | sing | 1.82Å | 1.82Å | |
| O3G | PG | doub | 1.48Å | 1.52Å | |
| PG | O1G | sing | 1.61Å | 1.52Å | |
| PG | O2G | sing | 1.61Å | 1.48Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| O1B | H2 | sing | 0.97Å | 0.95Å | |
| O1G | H3 | sing | 0.97Å | 0.95Å | |
| O2G | 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 | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C2' | H13 | sing | 1.09Å | 1.10Å | |
| C2' | H14 | sing | 1.09Å | 1.10Å | |
| C3' | H15 | sing | 1.09Å | 1.10Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 123.3° | 122.4° |
| C2 | N1 | C6 | 121.5° | 121.2° |
| N1 | C2 | H9 | 118.4° | 118.8° |
| C2 | N3 | C4 | 118.8° | 120.7° |
| N3 | C2 | H9 | 118.4° | 118.8° |
| N1 | C6 | N6 | 124.7° | 120.8° |
| N1 | C6 | C5 | 117.7° | 118.5° |
| N3 | C4 | C5 | 118.9° | 119.0° |
| N3 | C4 | N9 | 137.5° | 134.9° |
| N6 | C6 | C5 | 117.6° | 120.8° |
| C6 | N6 | H10 | 109.5° | 120.0° |
| C6 | N6 | H11 | 109.5° | 120.0° |
| C6 | C5 | C4 | 119.8° | 118.2° |
| C6 | C5 | N7 | 130.8° | 134.7° |
| C5 | C4 | N9 | 103.6° | 106.0° |
| C4 | C5 | N7 | 109.3° | 107.1° |
| C4 | N9 | C1' | 135.1° | 126.3° |
| C4 | N9 | C8 | 109.7° | 107.4° |
| C3' | C2' | C1' | 96.9° | 101.0° |
| C2' | C3' | O3' | 116.1° | 110.9° |
| C2' | C3' | C4' | 107.9° | 102.2° |
| C3' | C2' | H13 | 112.5° | 111.1° |
| C3' | C2' | H14 | 112.5° | 111.1° |
| C2' | C3' | H15 | 109.2° | 110.9° |
| C2' | C1' | N9 | 120.8° | 110.4° |
| C2' | C1' | O4' | 108.8° | 105.1° |
| C2' | C1' | H8 | 97.4° | 110.3° |
| C1' | C2' | H13 | 112.5° | 111.0° |
| C1' | C2' | H14 | 112.5° | 111.2° |
| C5 | N7 | C8 | 106.4° | 109.4° |
| O3' | C3' | C4' | 111.1° | 110.8° |
| O3' | C3' | H15 | 106.7° | 110.8° |
| C3' | O3' | H16 | 109.5° | 114.0° |
| C3' | C4' | O4' | 108.0° | 107.7° |
| C3' | C4' | C5' | 113.6° | 109.8° |
| C3' | C4' | H7 | 104.3° | 109.8° |
| C4' | C3' | H15 | 105.2° | 111.1° |
| C1' | N9 | C8 | 114.5° | 126.3° |
| N9 | C1' | O4' | 124.9° | 110.4° |
| N9 | C1' | H8 | 98.4° | 110.3° |
| N9 | C8 | N7 | 111.0° | 110.0° |
| N9 | C8 | H12 | 124.5° | 125.0° |
| C1' | O4' | C4' | 95.7° | 110.0° |
| O4' | C1' | H8 | 97.4° | 110.3° |
| O4' | C4' | C5' | 116.8° | 109.8° |
| O4' | C4' | H7 | 108.5° | 109.9° |
| N7 | C8 | H12 | 124.5° | 125.0° |
| C4' | C5' | O5' | 118.0° | 109.4° |
| C4' | C5' | H5 | 107.3° | 109.5° |
| C4' | C5' | H6 | 107.3° | 109.5° |
| C5' | C4' | H7 | 104.8° | 109.8° |
| O2B | PB | O3A | 105.7° | 109.4° |
| O2B | PB | O1B | 110.5° | 109.5° |
| O2B | PB | C3B | 106.8° | 109.5° |
| C5' | O5' | PA | 119.0° | 123.0° |
| O5' | C5' | H5 | 107.3° | 109.5° |
| O5' | C5' | H6 | 107.3° | 109.5° |
| O5' | PA | O3A | 106.8° | 109.5° |
| O5' | PA | O2A | 109.3° | 109.5° |
| O5' | PA | O1A | 111.9° | 109.5° |
| O3A | PB | O1B | 112.1° | 109.5° |
| O3A | PB | C3B | 109.3° | 109.4° |
| PB | O3A | PA | 127.8° | 134.0° |
| O1B | PB | C3B | 112.1° | 109.5° |
| PB | O1B | H2 | 109.5° | 114.0° |
| PB | C3B | F3B | 111.3° | 109.5° |
| PB | C3B | CL1 | 107.5° | 109.5° |
| PB | C3B | PG | 112.0° | 109.5° |
| O3A | PA | O2A | 107.9° | 109.5° |
| O3A | PA | O1A | 111.5° | 109.4° |
| F3B | C3B | CL1 | 105.7° | 109.5° |
| F3B | C3B | PG | 112.1° | 109.5° |
| O2A | PA | O1A | 109.4° | 109.5° |
| PA | O1A | H1 | 109.5° | 114.0° |
| CL1 | C3B | PG | 107.9° | 109.5° |
| C3B | PG | O3G | 109.5° | 109.5° |
| C3B | PG | O1G | 108.3° | 109.5° |
| C3B | PG | O2G | 107.9° | 109.5° |
| O3G | PG | O1G | 110.1° | 109.5° |
| O3G | PG | O2G | 109.7° | 109.4° |
| O1G | PG | O2G | 111.2° | 109.5° |
| PG | O1G | H3 | 109.5° | 114.0° |
| PG | O2G | H4 | 109.5° | 114.0° |
| H5 | C5' | H6 | 109.5° | 109.5° |
| H10 | N6 | H11 | 109.4° | 120.0° |
| H13 | C2' | H14 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H9 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.4° | 0.1° |
| C2 | N1 | C6 | N6 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| N3 | C2 | N1 | C6 | 0.1° | 0.1° |
| C2 | N3 | C4 | C5 | 0.8° | 0.1° |
| C2 | N3 | C4 | N9 | 178.3° | 180.0° |
| N1 | C6 | N6 | C5 | 179.8° | 180.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| C6 | N1 | C2 | H9 | 179.9° | 180.0° |
| N1 | C6 | N6 | H10 | 0.0° | 0.0° |
| N1 | C6 | N6 | H11 | 120.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.1° |
| N3 | C4 | C5 | N9 | 179.3° | 179.9° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C1' | 9.4° | 0.1° |
| N3 | C4 | N9 | C8 | 178.6° | 179.8° |
| C4 | N3 | C2 | H9 | 179.6° | 180.0° |
| N6 | C6 | C5 | C4 | 179.8° | 180.0° |
| N6 | C6 | C5 | N7 | 0.5° | 0.0° |
| C6 | N6 | H10 | H11 | 120.0° | 180.0° |
| C6 | C5 | C4 | N7 | 179.4° | 180.0° |
| C6 | C5 | C4 | N9 | 178.5° | 180.0° |
| C6 | C5 | N7 | C8 | 179.8° | 179.8° |
| C5 | C6 | N6 | H10 | 179.8° | 180.0° |
| C5 | C6 | N6 | H11 | 60.2° | 0.0° |
| C5 | C4 | N9 | C1' | 171.4° | 180.0° |
| C5 | C4 | N9 | C8 | 2.3° | 0.3° |
| C4 | C5 | N7 | C8 | 0.9° | 0.2° |
| C4 | N9 | C1' | C2' | 40.8° | 87.4° |
| N9 | C4 | C5 | N7 | 0.9° | 0.0° |
| C4 | N9 | C1' | C8 | 168.7° | 179.7° |
| C4 | N9 | C1' | O4' | 110.1° | 156.8° |
| C4 | N9 | C8 | N7 | 3.1° | 0.4° |
| C4 | N9 | C1' | H8 | 144.7° | 34.6° |
| C4 | N9 | C8 | H12 | 176.9° | 179.7° |
| C3' | C2' | C1' | H13 | 117.9° | 117.9° |
| C3' | C2' | C1' | H14 | 117.9° | 117.9° |
| C2' | C3' | O3' | C4' | 123.9° | 112.7° |
| C2' | C3' | O3' | H15 | 122.0° | 123.5° |
| C2' | C3' | C4' | H15 | 116.6° | 118.3° |
| C3' | C2' | C1' | N9 | 162.0° | 155.4° |
| C3' | C2' | C1' | O4' | 42.9° | 36.4° |
| C2' | C3' | C4' | O4' | 8.9° | 21.3° |
| C2' | C3' | C4' | C5' | 122.3° | 140.8° |
| C2' | C3' | C4' | H7 | 124.2° | 98.3° |
| C3' | C2' | C1' | H8 | 57.6° | 82.5° |
| C3' | C2' | H13 | H14 | 125.9° | 124.2° |
| C2' | C3' | O3' | H16 | 123.9° | 61.4° |
| C1' | C2' | C3' | O3' | 105.3° | 84.0° |
| C1' | C2' | C3' | C4' | 20.1° | 34.0° |
| C2' | C1' | N9 | O4' | 150.9° | 115.8° |
| C2' | C1' | N9 | H8 | 103.9° | 122.1° |
| C2' | C1' | N9 | C8 | 127.9° | 92.2° |
| C2' | C1' | O4' | H8 | 100.5° | 118.9° |
| C2' | C1' | O4' | C4' | 48.7° | 24.4° |
| C1' | C2' | H13 | H14 | 125.9° | 124.3° |
| C1' | C2' | C3' | H15 | 134.0° | 152.5° |
| C5 | N7 | C8 | N9 | 2.4° | 0.4° |
| C5 | N7 | C8 | H12 | 177.6° | 179.7° |
| O3' | C3' | C4' | H15 | 115.1° | 123.6° |
| O3' | C3' | C4' | O4' | 137.3° | 96.9° |
| O3' | C3' | C4' | C5' | 6.1° | 22.7° |
| O3' | C3' | C4' | H7 | 107.4° | 143.5° |
| O3' | C3' | C2' | H13 | 12.6° | 158.1° |
| O3' | C3' | C2' | H14 | 136.8° | 33.9° |
| C3' | C4' | O4' | C1' | 32.0° | 1.8° |
| C3' | C4' | O4' | C5' | 129.4° | 119.6° |
| C3' | C4' | O4' | H7 | 112.5° | 119.6° |
| C3' | C4' | C5' | H7 | 113.2° | 120.8° |
| C3' | C4' | C5' | O5' | 91.1° | 175.2° |
| C3' | C4' | C5' | H5 | 147.7° | 64.8° |
| C3' | C4' | C5' | H6 | 30.1° | 55.2° |
| C4' | C3' | C2' | H13 | 138.1° | 83.8° |
| C4' | C3' | C2' | H14 | 97.8° | 152.0° |
| C4' | C3' | O3' | H16 | 0.1° | 174.1° |
| N9 | C1' | O4' | H8 | 105.7° | 122.1° |
| N9 | C1' | O4' | C4' | 157.5° | 143.4° |
| C1' | N9 | C8 | N7 | 174.6° | 179.9° |
| C1' | N9 | C8 | H12 | 5.4° | 0.1° |
| N9 | C1' | C2' | H13 | 44.1° | 37.5° |
| N9 | C1' | C2' | H14 | 80.1° | 86.7° |
| C8 | N9 | C1' | O4' | 81.2° | 23.5° |
| N9 | C8 | N7 | H12 | 180.0° | 179.9° |
| C8 | N9 | C1' | H8 | 24.0° | 145.7° |
| C1' | O4' | C4' | C5' | 97.4° | 117.8° |
| C1' | O4' | C4' | H7 | 144.5° | 121.3° |
| O4' | C1' | C2' | H13 | 160.8° | 81.5° |
| O4' | C1' | C2' | H14 | 75.0° | 154.3° |
| O4' | C4' | C5' | H7 | 120.1° | 120.9° |
| O4' | C4' | C5' | O5' | 35.6° | 66.6° |
| O4' | C4' | C5' | H5 | 85.6° | 53.4° |
| O4' | C4' | C5' | H6 | 156.9° | 173.4° |
| C4' | O4' | C1' | H8 | 51.8° | 94.5° |
| O4' | C4' | C3' | H15 | 107.7° | 139.5° |
| C4' | C5' | O5' | H5 | 121.2° | 120.0° |
| C4' | C5' | O5' | H6 | 121.2° | 120.0° |
| C4' | C5' | O5' | PA | 150.2° | 180.0° |
| C4' | C5' | H5 | H6 | 116.1° | 120.0° |
| C5' | C4' | C3' | H15 | 121.1° | 100.9° |
| O2B | PB | O3A | O1B | 120.5° | 120.0° |
| O2B | PB | O3A | C3B | 114.6° | 119.9° |
| O2B | PB | O1B | C3B | 119.1° | 120.0° |
| O2B | PB | O3A | PA | 140.2° | 60.1° |
| O2B | PB | C3B | F3B | 15.3° | 59.9° |
| O2B | PB | C3B | CL1 | 100.1° | 180.0° |
| O2B | PB | C3B | PG | 141.6° | 60.1° |
| O2B | PB | O1B | H2 | 0.0° | 179.9° |
| C5' | O5' | PA | O3A | 63.4° | 175.0° |
| C5' | O5' | PA | O2A | 179.8° | 55.0° |
| C5' | O5' | PA | O1A | 58.9° | 65.0° |
| O5' | C5' | H5 | H6 | 116.1° | 120.0° |
| O5' | C5' | C4' | H7 | 155.7° | 54.3° |
| O5' | PA | O3A | PB | 104.0° | 165.0° |
| O5' | PA | O3A | O2A | 117.3° | 120.0° |
| O5' | PA | O3A | O1A | 122.5° | 120.0° |
| O5' | PA | O2A | O1A | 122.8° | 120.1° |
| O5' | PA | O1A | H1 | 121.2° | 60.0° |
| PA | O5' | C5' | H5 | 88.6° | 60.0° |
| PA | O5' | C5' | H6 | 28.9° | 60.0° |
| O3A | PB | O1B | C3B | 123.3° | 120.0° |
| O3A | PB | C3B | F3B | 129.1° | 60.0° |
| PB | O3A | PA | O2A | 138.7° | 44.9° |
| PB | O3A | PA | O1A | 18.5° | 75.0° |
| O3A | PB | C3B | CL1 | 13.8° | 60.1° |
| O3A | PB | C3B | PG | 104.6° | 180.0° |
| O3A | PB | O1B | H2 | 117.6° | 59.9° |
| O1B | PB | O3A | PA | 19.7° | 60.0° |
| O1B | PB | C3B | F3B | 106.0° | 180.0° |
| O1B | PB | C3B | CL1 | 138.7° | 60.0° |
| O1B | PB | C3B | PG | 20.4° | 60.0° |
| C3B | PB | O3A | PA | 105.2° | 180.0° |
| PB | C3B | F3B | CL1 | 116.4° | 120.0° |
| PB | C3B | F3B | PG | 126.2° | 120.0° |
| PB | C3B | CL1 | PG | 120.9° | 120.0° |
| PB | C3B | PG | O3G | 75.6° | 60.0° |
| PB | C3B | PG | O1G | 44.5° | 180.0° |
| PB | C3B | PG | O2G | 165.0° | 60.0° |
| C3B | PB | O1B | H2 | 119.1° | 60.1° |
| O3A | PA | O2A | O1A | 121.5° | 119.9° |
| O3A | PA | O1A | H1 | 119.3° | 60.0° |
| F3B | C3B | CL1 | PG | 120.1° | 120.0° |
| F3B | C3B | PG | O3G | 50.3° | 60.0° |
| F3B | C3B | PG | O1G | 170.4° | 60.0° |
| F3B | C3B | PG | O2G | 69.1° | 180.0° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| CL1 | C3B | PG | O3G | 166.3° | 180.0° |
| CL1 | C3B | PG | O1G | 73.6° | 60.0° |
| CL1 | C3B | PG | O2G | 46.9° | 60.0° |
| C3B | PG | O3G | O1G | 119.0° | 120.0° |
| C3B | PG | O3G | O2G | 118.3° | 120.0° |
| C3B | PG | O1G | O2G | 118.5° | 120.0° |
| C3B | PG | O1G | H3 | 119.7° | 180.0° |
| C3B | PG | O2G | H4 | 119.2° | 60.0° |
| O3G | PG | O1G | O2G | 121.8° | 120.0° |
| O3G | PG | O1G | H3 | 0.0° | 60.0° |
| O3G | PG | O2G | H4 | 0.0° | 180.0° |
| O1G | PG | O2G | H4 | 122.1° | 60.0° |
| O2G | PG | O1G | H3 | 121.8° | 60.0° |
| H5 | C5' | C4' | H7 | 34.5° | 174.3° |
| H6 | C5' | C4' | H7 | 83.0° | 65.7° |
| H7 | C4' | C3' | H15 | 7.7° | 19.9° |
| H8 | C1' | C2' | H13 | 60.3° | 159.6° |
| H8 | C1' | C2' | H14 | 175.5° | 35.4° |
| H13 | C2' | C3' | H15 | 108.0° | 34.6° |
| H14 | C2' | C3' | H15 | 16.1° | 89.6° |
| H15 | C3' | O3' | H16 | 114.1° | 62.1° |
