V3A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.30Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.47Å | |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.56Å | |
| C2' | C3' | sing | 1.55Å | 1.59Å | |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.42Å | |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C1' | O4' | sing | 1.44Å | 1.31Å | |
| O3' | C3' | sing | 1.43Å | 1.48Å | |
| C3' | C4' | sing | 1.54Å | 1.36Å | |
| O4' | C4' | sing | 1.43Å | 1.69Å | |
| N7 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.47Å | |
| O2B | PB | doub | 1.48Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| O5' | PA | sing | 1.61Å | 1.64Å | |
| PB | O3A | sing | 1.61Å | 1.62Å | |
| PB | O1B | sing | 1.61Å | 1.53Å | |
| PB | C3B | sing | 1.82Å | 1.82Å | |
| F3B | C3B | sing | 1.40Å | 1.35Å | |
| O3A | PA | sing | 1.61Å | 1.57Å | |
| PA | O2A | doub | 1.48Å | 1.48Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| C3B | PG | sing | 1.82Å | 1.82Å | |
| PG | O3G | doub | 1.48Å | 1.46Å | |
| PG | O1G | sing | 1.61Å | 1.56Å | |
| PG | O2G | sing | 1.61Å | 1.52Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| O1B | H2 | sing | 0.97Å | 0.95Å | |
| C3B | H3 | sing | 1.09Å | 1.10Å | |
| O1G | H4 | sing | 0.97Å | 0.95Å | |
| O2G | H5 | sing | 0.97Å | 0.95Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C2' | H14 | sing | 1.09Å | 1.10Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| C3' | H16 | sing | 1.09Å | 1.10Å | |
| O3' | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 124.2° | 122.5° |
| C2 | N1 | C6 | 119.5° | 121.2° |
| N1 | C2 | H10 | 117.9° | 118.8° |
| C2 | N3 | C4 | 120.0° | 120.7° |
| N3 | C2 | H10 | 117.9° | 118.7° |
| N1 | C6 | N6 | 124.2° | 120.8° |
| N1 | C6 | C5 | 118.7° | 118.5° |
| N3 | C4 | C5 | 117.9° | 119.0° |
| N3 | C4 | N9 | 137.3° | 135.0° |
| N6 | C6 | C5 | 117.1° | 120.8° |
| C6 | N6 | H11 | 109.5° | 120.0° |
| C6 | N6 | H12 | 109.4° | 120.0° |
| C6 | C5 | C4 | 119.8° | 118.2° |
| C6 | C5 | N7 | 131.7° | 134.7° |
| C5 | C4 | N9 | 104.8° | 106.0° |
| C4 | C5 | N7 | 108.5° | 107.1° |
| C4 | N9 | C1' | 134.2° | 126.3° |
| C4 | N9 | C8 | 108.8° | 107.5° |
| C1' | C2' | C3' | 86.0° | 101.0° |
| C2' | C1' | N9 | 117.4° | 110.4° |
| C2' | C1' | O4' | 106.8° | 105.2° |
| C2' | C1' | H9 | 96.0° | 110.3° |
| C1' | C2' | H14 | 115.0° | 111.1° |
| C1' | C2' | H15 | 115.0° | 111.1° |
| C2' | C3' | O3' | 113.1° | 110.8° |
| C2' | C3' | C4' | 103.4° | 102.2° |
| C3' | C2' | H14 | 115.0° | 111.0° |
| C3' | C2' | H15 | 115.0° | 111.1° |
| C2' | C3' | H16 | 106.2° | 110.9° |
| C5 | N7 | C8 | 106.9° | 109.4° |
| C1' | N9 | C8 | 116.6° | 126.2° |
| N9 | C1' | O4' | 131.7° | 110.4° |
| N9 | C1' | H9 | 96.6° | 110.2° |
| N9 | C8 | N7 | 110.9° | 110.0° |
| N9 | C8 | H13 | 124.6° | 125.0° |
| C1' | O4' | C4' | 92.9° | 110.0° |
| O4' | C1' | H9 | 97.2° | 110.3° |
| O3' | C3' | C4' | 117.2° | 111.0° |
| O3' | C3' | H16 | 107.4° | 110.9° |
| C3' | O3' | H17 | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.6° | 107.6° |
| C3' | C4' | C5' | 111.0° | 109.8° |
| C3' | C4' | H8 | 111.4° | 109.9° |
| C4' | C3' | H16 | 109.0° | 110.8° |
| O4' | C4' | C5' | 111.8° | 109.8° |
| O4' | C4' | H8 | 107.1° | 109.8° |
| N7 | C8 | H13 | 124.5° | 125.0° |
| C4' | C5' | O5' | 108.4° | 109.4° |
| C4' | C5' | H6 | 109.7° | 109.5° |
| C4' | C5' | H7 | 109.8° | 109.5° |
| C5' | C4' | H8 | 109.8° | 109.8° |
| O2B | PB | O3A | 108.9° | 109.5° |
| O2B | PB | O1B | 110.2° | 109.4° |
| O2B | PB | C3B | 108.0° | 109.5° |
| C5' | O5' | PA | 121.7° | 123.0° |
| O5' | C5' | H6 | 109.8° | 109.5° |
| O5' | C5' | H7 | 109.7° | 109.5° |
| O5' | PA | O3A | 107.7° | 109.4° |
| O5' | PA | O2A | 111.7° | 109.5° |
| O5' | PA | O1A | 110.6° | 109.4° |
| O3A | PB | O1B | 113.0° | 109.5° |
| O3A | PB | C3B | 105.4° | 109.5° |
| PB | O3A | PA | 131.1° | 134.0° |
| O1B | PB | C3B | 111.1° | 109.5° |
| PB | O1B | H2 | 109.5° | 114.0° |
| PB | C3B | F3B | 109.6° | 109.5° |
| PB | C3B | PG | 113.5° | 109.5° |
| PB | C3B | H3 | 106.0° | 109.5° |
| F3B | C3B | PG | 110.0° | 109.4° |
| F3B | C3B | H3 | 111.8° | 109.5° |
| O3A | PA | O2A | 106.1° | 109.5° |
| O3A | PA | O1A | 112.1° | 109.4° |
| O2A | PA | O1A | 108.5° | 109.5° |
| PA | O1A | H1 | 109.5° | 114.0° |
| C3B | PG | O3G | 109.8° | 109.4° |
| C3B | PG | O1G | 108.1° | 109.5° |
| C3B | PG | O2G | 109.0° | 109.5° |
| PG | C3B | H3 | 106.0° | 109.4° |
| O3G | PG | O1G | 109.9° | 109.5° |
| O3G | PG | O2G | 110.7° | 109.5° |
| O1G | PG | O2G | 109.3° | 109.5° |
| PG | O1G | H4 | 109.5° | 114.0° |
| PG | O2G | H5 | 109.5° | 114.0° |
| H6 | C5' | H7 | 109.5° | 109.5° |
| H11 | N6 | H12 | 109.5° | 120.0° |
| H14 | C2' | H15 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H10 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| C2 | N1 | C6 | N6 | 179.3° | 179.9° |
| C2 | N1 | C6 | C5 | 0.4° | 0.1° |
| N3 | C2 | N1 | C6 | 0.2° | 0.1° |
| C2 | N3 | C4 | C5 | 0.7° | 0.0° |
| C2 | N3 | C4 | N9 | 178.0° | 179.9° |
| N1 | C6 | N6 | C5 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| C6 | N1 | C2 | H10 | 179.8° | 180.0° |
| N1 | C6 | N6 | H11 | 0.0° | 0.0° |
| N1 | C6 | N6 | H12 | 120.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.9° | 0.0° |
| N3 | C4 | C5 | N9 | 178.1° | 180.0° |
| N3 | C4 | C5 | N7 | 179.7° | 180.0° |
| N3 | C4 | N9 | C1' | 8.0° | 0.0° |
| N3 | C4 | N9 | C8 | 179.7° | 179.8° |
| C4 | N3 | C2 | H10 | 179.7° | 179.9° |
| N6 | C6 | C5 | C4 | 178.9° | 180.0° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| C6 | N6 | H11 | H12 | 120.0° | 180.0° |
| C6 | C5 | C4 | N7 | 179.4° | 180.0° |
| C6 | C5 | C4 | N9 | 179.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.0° | 179.8° |
| C5 | C6 | N6 | H11 | 179.7° | 179.9° |
| C5 | C6 | N6 | H12 | 60.3° | 0.0° |
| C5 | C4 | N9 | C1' | 174.4° | 180.0° |
| C5 | C4 | N9 | C8 | 2.8° | 0.2° |
| C4 | C5 | N7 | C8 | 0.2° | 0.2° |
| C4 | N9 | C1' | C2' | 53.5° | 87.5° |
| N9 | C4 | C5 | N7 | 1.6° | 0.0° |
| C4 | N9 | C1' | C8 | 171.2° | 179.8° |
| C4 | N9 | C1' | O4' | 100.3° | 156.7° |
| C4 | N9 | C8 | N7 | 3.1° | 0.3° |
| C4 | N9 | C1' | H9 | 153.8° | 34.6° |
| C4 | N9 | C8 | H13 | 176.9° | 179.7° |
| C1' | C2' | C3' | H14 | 115.7° | 117.9° |
| C1' | C2' | C3' | H15 | 115.8° | 117.9° |
| C2' | C1' | N9 | O4' | 153.8° | 115.8° |
| C2' | C1' | N9 | H9 | 100.4° | 122.1° |
| C2' | C1' | N9 | C8 | 117.7° | 92.3° |
| C2' | C1' | O4' | H9 | 98.6° | 118.9° |
| C1' | C2' | C3' | O3' | 178.6° | 152.3° |
| C1' | C2' | C3' | C4' | 50.8° | 34.0° |
| C2' | C1' | O4' | C4' | 52.0° | 24.4° |
| C1' | C2' | H14 | H15 | 131.2° | 124.3° |
| C1' | C2' | C3' | H16 | 63.8° | 84.1° |
| C3' | C2' | C1' | N9 | 132.0° | 155.4° |
| C3' | C2' | C1' | O4' | 68.2° | 36.3° |
| C2' | C3' | O3' | C4' | 120.1° | 112.9° |
| C2' | C3' | O3' | H16 | 116.9° | 123.6° |
| C2' | C3' | C4' | H16 | 112.7° | 118.2° |
| C2' | C3' | C4' | O4' | 27.0° | 21.3° |
| C2' | C3' | C4' | C5' | 148.3° | 140.8° |
| C2' | C3' | C4' | H8 | 89.0° | 98.3° |
| C3' | C2' | C1' | H9 | 31.2° | 82.6° |
| C3' | C2' | H14 | H15 | 131.2° | 124.2° |
| C2' | C3' | O3' | H17 | 128.8° | 61.4° |
| C5 | N7 | C8 | N9 | 2.0° | 0.4° |
| C5 | N7 | C8 | H13 | 178.0° | 179.7° |
| N9 | C1' | O4' | H9 | 105.6° | 122.0° |
| N9 | C1' | O4' | C4' | 152.2° | 143.4° |
| C1' | N9 | C8 | N7 | 176.4° | 179.8° |
| C1' | N9 | C8 | H13 | 3.6° | 0.1° |
| N9 | C1' | C2' | H14 | 112.3° | 37.5° |
| N9 | C1' | C2' | H15 | 16.2° | 86.7° |
| C8 | N9 | C1' | O4' | 88.5° | 23.5° |
| N9 | C8 | N7 | H13 | 180.0° | 179.9° |
| C8 | N9 | C1' | H9 | 17.3° | 145.6° |
| C1' | O4' | C4' | C3' | 14.1° | 1.7° |
| C1' | O4' | C4' | C5' | 106.8° | 117.8° |
| C1' | O4' | C4' | H8 | 132.9° | 121.3° |
| O4' | C1' | C2' | H14 | 47.5° | 81.5° |
| O4' | C1' | C2' | H15 | 176.0° | 154.3° |
| O3' | C3' | C4' | H16 | 122.2° | 123.6° |
| O3' | C3' | C4' | O4' | 152.1° | 139.5° |
| O3' | C3' | C4' | C5' | 86.5° | 101.0° |
| O3' | C3' | C4' | H8 | 36.2° | 19.9° |
| O3' | C3' | C2' | H14 | 62.8° | 34.4° |
| O3' | C3' | C2' | H15 | 65.7° | 89.7° |
| C3' | C4' | O4' | C5' | 120.8° | 119.5° |
| C3' | C4' | O4' | H8 | 118.8° | 119.6° |
| C3' | C4' | C5' | H8 | 123.6° | 120.9° |
| C3' | C4' | C5' | O5' | 51.2° | 175.2° |
| C3' | C4' | C5' | H6 | 171.0° | 64.8° |
| C3' | C4' | C5' | H7 | 68.7° | 55.2° |
| C4' | C3' | C2' | H14 | 64.9° | 83.9° |
| C4' | C3' | C2' | H15 | 166.6° | 152.0° |
| C4' | C3' | O3' | H17 | 111.1° | 174.3° |
| O4' | C4' | C5' | H8 | 118.7° | 120.9° |
| O4' | C4' | C5' | O5' | 66.5° | 66.6° |
| O4' | C4' | C5' | H6 | 53.3° | 53.4° |
| O4' | C4' | C5' | H7 | 173.7° | 173.4° |
| C4' | O4' | C1' | H9 | 46.6° | 94.5° |
| O4' | C4' | C3' | H16 | 85.7° | 96.9° |
| C4' | C5' | O5' | H6 | 119.8° | 120.0° |
| C4' | C5' | O5' | H7 | 119.8° | 120.0° |
| C4' | C5' | O5' | PA | 141.4° | 179.9° |
| C4' | C5' | H6 | H7 | 120.5° | 120.0° |
| C5' | C4' | C3' | H16 | 35.7° | 22.6° |
| O2B | PB | O3A | O1B | 122.8° | 120.0° |
| O2B | PB | O3A | C3B | 115.7° | 120.0° |
| O2B | PB | O1B | C3B | 119.7° | 120.0° |
| O2B | PB | C3B | F3B | 30.2° | 60.0° |
| O2B | PB | O3A | PA | 120.0° | 60.0° |
| O2B | PB | C3B | PG | 153.6° | 60.0° |
| O2B | PB | O1B | H2 | 0.0° | 180.0° |
| O2B | PB | C3B | H3 | 90.6° | 180.0° |
| C5' | O5' | PA | O3A | 86.0° | 175.0° |
| C5' | O5' | PA | O2A | 157.9° | 55.0° |
| C5' | O5' | PA | O1A | 36.9° | 65.1° |
| O5' | C5' | H6 | H7 | 120.5° | 120.0° |
| O5' | C5' | C4' | H8 | 174.7° | 54.3° |
| O5' | PA | O3A | PB | 87.8° | 165.0° |
| O5' | PA | O3A | O2A | 119.7° | 120.0° |
| O5' | PA | O3A | O1A | 122.0° | 119.9° |
| O5' | PA | O2A | O1A | 122.2° | 120.0° |
| O5' | PA | O1A | H1 | 122.8° | 60.0° |
| PA | O5' | C5' | H6 | 98.8° | 60.1° |
| PA | O5' | C5' | H7 | 21.6° | 59.9° |
| O3A | PB | O1B | C3B | 118.3° | 120.0° |
| O3A | PB | C3B | F3B | 146.5° | 60.0° |
| PB | O3A | PA | O2A | 152.5° | 45.0° |
| PB | O3A | PA | O1A | 34.2° | 75.1° |
| O3A | PB | C3B | PG | 90.2° | 180.0° |
| O3A | PB | O1B | H2 | 122.0° | 60.0° |
| O3A | PB | C3B | H3 | 25.7° | 60.0° |
| O1B | PB | C3B | F3B | 90.8° | 180.0° |
| O1B | PB | O3A | PA | 2.7° | 60.0° |
| O1B | PB | C3B | PG | 32.6° | 60.0° |
| O1B | PB | C3B | H3 | 148.4° | 60.0° |
| PB | C3B | F3B | PG | 125.4° | 120.0° |
| PB | C3B | F3B | H3 | 117.2° | 120.1° |
| C3B | PB | O3A | PA | 124.3° | 180.0° |
| PB | C3B | PG | H3 | 115.9° | 120.0° |
| PB | C3B | PG | O3G | 103.3° | 60.0° |
| PB | C3B | PG | O1G | 16.6° | 60.0° |
| PB | C3B | PG | O2G | 135.3° | 180.0° |
| C3B | PB | O1B | H2 | 119.7° | 60.0° |
| F3B | C3B | PG | H3 | 121.0° | 120.0° |
| F3B | C3B | PG | O3G | 19.9° | 180.0° |
| F3B | C3B | PG | O1G | 139.7° | 60.0° |
| F3B | C3B | PG | O2G | 101.5° | 60.0° |
| O3A | PA | O2A | O1A | 120.7° | 120.0° |
| O3A | PA | O1A | H1 | 116.9° | 60.0° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| C3B | PG | O3G | O1G | 118.8° | 120.0° |
| C3B | PG | O3G | O2G | 120.3° | 120.0° |
| C3B | PG | O1G | O2G | 118.5° | 120.0° |
| C3B | PG | O1G | H4 | 119.8° | 60.0° |
| C3B | PG | O2G | H5 | 120.8° | 180.0° |
| O3G | PG | O1G | O2G | 121.7° | 120.0° |
| O3G | PG | C3B | H3 | 140.9° | 60.0° |
| O3G | PG | O1G | H4 | 0.0° | 179.9° |
| O3G | PG | O2G | H5 | 0.0° | 60.0° |
| O1G | PG | C3B | H3 | 99.3° | 180.0° |
| O1G | PG | O2G | H5 | 121.2° | 60.0° |
| O2G | PG | C3B | H3 | 19.5° | 60.0° |
| O2G | PG | O1G | H4 | 121.7° | 60.0° |
| H6 | C5' | C4' | H8 | 65.4° | 174.2° |
| H7 | C5' | C4' | H8 | 54.9° | 65.7° |
| H8 | C4' | C3' | H16 | 158.3° | 143.6° |
| H9 | C1' | C2' | H14 | 147.0° | 159.6° |
| H9 | C1' | C2' | H15 | 84.5° | 35.4° |
| H14 | C2' | C3' | H16 | 179.6° | 158.0° |
| H15 | C2' | C3' | H16 | 51.9° | 33.9° |
| H16 | C3' | O3' | H17 | 11.9° | 62.1° |
