V2J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.35Å | |
| C6 | C5 | doub | 1.40Å | 1.46Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.47Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.48Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.51Å | |
| C2 | N3 | sing | 1.32Å | 1.49Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.45Å | 1.44Å | |
| OX | C | doub | 1.21Å | 1.26Å | |
| O | C | sing | 1.34Å | 1.24Å | |
| C | CB | sing | 1.51Å | 1.50Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.54Å | 1.52Å | |
| CB | CA | sing | 1.54Å | 1.53Å | |
| CG | CD | sing | 1.54Å | 1.53Å | |
| CD | N | sing | 1.49Å | 1.49Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | PA | sing | 1.61Å | 1.63Å | |
| CA | N | sing | 1.49Å | 1.49Å | |
| N | PA | sing | 1.68Å | 1.64Å | |
| PA | O2A | doub | 1.48Å | 1.51Å | |
| PA | O1A | sing | 1.61Å | 1.53Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O1A | H3 | sing | 0.97Å | 0.95Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CA | H5 | sing | 1.09Å | 1.10Å | |
| CD | H6 | sing | 1.09Å | 1.10Å | |
| CD | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C3' | H15 | sing | 1.09Å | 1.10Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| O2' | H18 | sing | 0.97Å | 0.95Å | |
| C1' | H19 | sing | 1.09Å | 1.10Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | C5 | 117.4° | 120.8° |
| N6 | C6 | N1 | 122.8° | 120.7° |
| C6 | N6 | H20 | 109.5° | 120.0° |
| C6 | N6 | H21 | 109.5° | 120.0° |
| C5 | C6 | N1 | 119.8° | 118.4° |
| C6 | C5 | N7 | 132.5° | 134.7° |
| C6 | C5 | C4 | 119.2° | 118.2° |
| C6 | N1 | C2 | 123.7° | 121.2° |
| C5 | N7 | C8 | 106.0° | 109.4° |
| N7 | C5 | C4 | 108.4° | 107.1° |
| N7 | C8 | N9 | 112.4° | 110.0° |
| N7 | C8 | H1 | 123.8° | 125.0° |
| C5 | C4 | N9 | 104.3° | 106.0° |
| C5 | C4 | N3 | 119.6° | 119.1° |
| N1 | C2 | N3 | 114.6° | 122.5° |
| N1 | C2 | H2 | 122.7° | 118.8° |
| C8 | N9 | C4 | 109.0° | 107.4° |
| C8 | N9 | C1' | 120.8° | 126.3° |
| N9 | C8 | H1 | 123.8° | 125.0° |
| O2' | C2' | C1' | 111.8° | 110.5° |
| O2' | C2' | C3' | 115.9° | 110.6° |
| O2' | C2' | H17 | 109.5° | 110.6° |
| C2' | O2' | H18 | 109.5° | 114.1° |
| N9 | C4 | N3 | 136.1° | 134.9° |
| C4 | N9 | C1' | 130.1° | 126.3° |
| C4 | N3 | C2 | 123.1° | 120.6° |
| N9 | C1' | C2' | 110.0° | 110.3° |
| N9 | C1' | O4' | 119.2° | 110.4° |
| N9 | C1' | H19 | 107.1° | 110.4° |
| N3 | C2 | H2 | 122.7° | 118.7° |
| C1' | C2' | C3' | 102.7° | 104.0° |
| C2' | C1' | O4' | 105.2° | 104.9° |
| C1' | C2' | H17 | 108.2° | 110.5° |
| C2' | C1' | H19 | 106.7° | 110.4° |
| C2' | C3' | O3' | 112.6° | 110.6° |
| C2' | C3' | C4' | 105.6° | 104.1° |
| C2' | C3' | H15 | 108.9° | 110.5° |
| C3' | C2' | H17 | 108.3° | 110.4° |
| C1' | O4' | C4' | 107.0° | 105.2° |
| O4' | C1' | H19 | 107.9° | 110.3° |
| OX | C | O | 122.9° | 120.0° |
| OX | C | CB | 120.4° | 120.0° |
| O | C | CB | 116.6° | 120.1° |
| C | O | H11 | 109.5° | 117.0° |
| C | CB | CG | 111.4° | 110.3° |
| C | CB | CA | 108.5° | 110.4° |
| C | CB | H10 | 110.9° | 110.4° |
| O3' | C3' | C4' | 110.7° | 110.5° |
| O3' | C3' | H15 | 110.2° | 110.4° |
| C3' | O3' | H16 | 109.5° | 114.0° |
| C3' | C4' | O4' | 106.7° | 104.9° |
| C3' | C4' | C5' | 113.5° | 110.4° |
| C3' | C4' | H14 | 107.9° | 110.4° |
| C4' | C3' | H15 | 108.8° | 110.5° |
| O4' | C4' | C5' | 111.6° | 110.4° |
| O4' | C4' | H14 | 109.1° | 110.3° |
| C4' | C5' | O5' | 110.8° | 109.5° |
| C4' | C5' | H12 | 109.1° | 109.4° |
| C4' | C5' | H13 | 109.1° | 109.5° |
| C5' | C4' | H14 | 107.9° | 110.3° |
| CG | CB | CA | 104.9° | 105.1° |
| CB | CG | CD | 104.2° | 105.0° |
| CB | CG | H8 | 110.8° | 110.3° |
| CB | CG | H9 | 110.8° | 110.4° |
| CG | CB | H10 | 110.5° | 110.3° |
| CB | CA | N | 108.4° | 104.6° |
| CB | CA | H4 | 109.7° | 110.4° |
| CB | CA | H5 | 109.7° | 110.5° |
| CA | CB | H10 | 110.4° | 110.3° |
| CG | CD | N | 107.6° | 104.6° |
| CG | CD | H6 | 110.0° | 110.4° |
| CG | CD | H7 | 109.9° | 110.5° |
| CD | CG | H8 | 110.8° | 110.3° |
| CD | CG | H9 | 110.7° | 110.3° |
| CD | N | CA | 106.9° | 104.2° |
| CD | N | PA | 116.5° | 111.0° |
| N | CD | H6 | 109.9° | 110.4° |
| N | CD | H7 | 110.0° | 110.4° |
| C5' | O5' | PA | 124.5° | 123.0° |
| O5' | C5' | H12 | 109.1° | 109.5° |
| O5' | C5' | H13 | 109.1° | 109.5° |
| O5' | PA | N | 113.2° | 109.5° |
| O5' | PA | O2A | 103.0° | 109.5° |
| O5' | PA | O1A | 108.6° | 109.5° |
| CA | N | PA | 115.4° | 111.0° |
| N | CA | H4 | 109.8° | 110.4° |
| N | CA | H5 | 109.8° | 110.4° |
| N | PA | O2A | 111.2° | 109.5° |
| N | PA | O1A | 104.2° | 109.5° |
| O2A | PA | O1A | 117.0° | 109.5° |
| PA | O1A | H3 | 109.5° | 114.0° |
| H4 | CA | H5 | 109.5° | 110.4° |
| H6 | CD | H7 | 109.4° | 110.3° |
| H8 | CG | H9 | 109.5° | 110.4° |
| H12 | C5' | H13 | 109.5° | 109.5° |
| H20 | N6 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | C5 | N1 | 179.7° | 180.0° |
| N6 | C6 | C5 | N7 | 0.0° | 0.0° |
| N6 | C6 | C5 | C4 | 179.6° | 180.0° |
| N6 | C6 | N1 | C2 | 178.4° | 180.0° |
| C6 | N6 | H20 | H21 | 120.1° | 179.9° |
| C6 | C5 | N7 | C4 | 179.6° | 180.0° |
| C6 | C5 | N7 | C8 | 179.9° | 179.8° |
| C5 | C6 | N1 | C2 | 1.9° | 0.0° |
| C6 | C5 | C4 | N9 | 179.0° | 179.9° |
| C6 | C5 | C4 | N3 | 0.5° | 0.2° |
| C5 | C6 | N6 | H20 | 179.7° | 0.0° |
| C5 | C6 | N6 | H21 | 60.3° | 180.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C6 | N1 | C2 | N3 | 2.7° | 0.2° |
| C6 | N1 | C2 | H2 | 177.4° | 180.0° |
| N1 | C6 | N6 | H20 | 0.0° | 180.0° |
| N1 | C6 | N6 | H21 | 120.0° | 0.0° |
| C5 | N7 | C8 | N9 | 0.9° | 0.5° |
| N7 | C5 | C4 | N9 | 1.3° | 0.0° |
| N7 | C5 | C4 | N3 | 179.8° | 179.8° |
| C5 | N7 | C8 | H1 | 179.1° | 180.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.3° |
| N7 | C8 | N9 | H1 | 180.0° | 179.5° |
| N7 | C8 | N9 | C4 | 1.9° | 0.5° |
| N7 | C8 | N9 | C1' | 177.8° | 179.6° |
| C5 | C4 | N9 | C8 | 1.8° | 0.3° |
| C5 | C4 | N9 | N3 | 178.2° | 179.7° |
| C5 | C4 | N9 | C1' | 177.3° | 179.8° |
| C5 | C4 | N3 | C2 | 1.5° | 0.4° |
| N1 | C2 | N3 | C4 | 2.4° | 0.5° |
| N1 | C2 | N3 | H2 | 180.0° | 179.8° |
| C8 | N9 | C4 | C1' | 175.4° | 179.9° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C8 | N9 | C1' | C2' | 115.3° | 95.1° |
| C8 | N9 | C1' | O4' | 123.0° | 20.4° |
| C8 | N9 | C1' | H19 | 0.3° | 142.6° |
| O2' | C2' | C1' | N9 | 73.0° | 98.5° |
| O2' | C2' | C1' | C3' | 124.9° | 118.7° |
| O2' | C2' | C1' | H17 | 120.6° | 122.8° |
| O2' | C2' | C3' | H17 | 123.5° | 122.7° |
| O2' | C2' | C1' | O4' | 157.3° | 142.6° |
| O2' | C2' | C3' | O3' | 17.8° | 0.0° |
| O2' | C2' | C3' | C4' | 138.7° | 118.7° |
| O2' | C2' | C3' | H15 | 104.7° | 122.6° |
| O2' | C2' | C1' | H19 | 42.8° | 23.8° |
| N9 | C4 | N3 | C2 | 179.4° | 179.9° |
| C4 | N9 | C1' | C2' | 59.7° | 85.0° |
| C4 | N9 | C1' | O4' | 62.0° | 159.5° |
| C4 | N9 | C8 | H1 | 178.2° | 180.0° |
| C4 | N9 | C1' | H19 | 175.3° | 37.3° |
| N3 | C4 | N9 | C1' | 4.6° | 0.1° |
| C4 | N3 | C2 | H2 | 177.6° | 179.7° |
| N9 | C1' | C2' | O4' | 129.7° | 118.9° |
| N9 | C1' | C2' | H19 | 115.8° | 122.3° |
| N9 | C1' | C2' | C3' | 162.0° | 142.8° |
| N9 | C1' | O4' | H19 | 122.3° | 122.3° |
| N9 | C1' | O4' | C4' | 160.7° | 159.2° |
| C1' | N9 | C8 | H1 | 2.2° | 0.1° |
| N9 | C1' | C2' | H17 | 47.6° | 24.2° |
| C1' | C2' | C3' | H17 | 114.3° | 118.6° |
| C2' | C1' | O4' | H19 | 113.7° | 118.9° |
| C1' | C2' | C3' | O3' | 104.4° | 118.7° |
| C1' | C2' | C3' | C4' | 16.5° | 0.0° |
| C2' | C1' | O4' | C4' | 36.6° | 40.3° |
| C1' | C2' | C3' | H15 | 133.2° | 118.7° |
| C1' | C2' | O2' | H18 | 180.0° | 180.0° |
| C3' | C2' | C1' | O4' | 32.4° | 23.9° |
| C2' | C3' | O3' | C4' | 117.9° | 114.7° |
| C2' | C3' | O3' | H15 | 121.7° | 122.7° |
| C2' | C3' | C4' | H15 | 116.7° | 118.7° |
| C2' | C3' | C4' | O4' | 4.5° | 23.9° |
| C2' | C3' | C4' | C5' | 127.9° | 142.8° |
| C2' | C3' | C4' | H14 | 112.6° | 94.9° |
| C2' | C3' | O3' | H16 | 180.0° | 65.3° |
| C3' | C2' | O2' | H18 | 62.7° | 65.4° |
| C3' | C2' | C1' | H19 | 82.1° | 94.9° |
| C1' | O4' | C4' | C3' | 25.7° | 40.3° |
| C1' | O4' | C4' | C5' | 150.2° | 159.3° |
| C1' | O4' | C4' | H14 | 90.7° | 78.5° |
| O4' | C1' | C2' | H17 | 82.1° | 94.6° |
| OX | C | O | CB | 177.7° | 179.9° |
| OX | C | CB | CG | 162.4° | 118.6° |
| OX | C | CB | CA | 82.6° | 2.9° |
| OX | C | CB | H10 | 38.8° | 119.3° |
| OX | C | O | H11 | 0.0° | 0.1° |
| O | C | CB | CG | 19.8° | 61.4° |
| O | C | CB | CA | 95.2° | 177.1° |
| O | C | CB | H10 | 143.4° | 60.8° |
| C | CB | CG | CA | 117.2° | 119.0° |
| C | CB | CG | H10 | 123.8° | 122.2° |
| C | CB | CA | H10 | 121.7° | 122.2° |
| C | CB | CG | CD | 90.2° | 118.9° |
| C | CB | CA | N | 101.5° | 142.8° |
| C | CB | CA | H4 | 18.4° | 98.5° |
| C | CB | CA | H5 | 138.7° | 23.9° |
| C | CB | CG | H8 | 150.7° | 0.1° |
| C | CB | CG | H9 | 29.0° | 122.1° |
| CB | C | O | H11 | 177.7° | 180.0° |
| O3' | C3' | C4' | H15 | 121.2° | 122.5° |
| O3' | C3' | C4' | O4' | 126.6° | 142.7° |
| O3' | C3' | C4' | C5' | 110.0° | 98.4° |
| O3' | C3' | C4' | H14 | 9.5° | 23.8° |
| O3' | C3' | C2' | H17 | 141.3° | 122.7° |
| C3' | C4' | O4' | C5' | 124.5° | 118.9° |
| C3' | C4' | O4' | H14 | 116.3° | 118.9° |
| C3' | C4' | C5' | H14 | 119.5° | 122.3° |
| C3' | C4' | C5' | O5' | 91.5° | 176.6° |
| C3' | C4' | C5' | H12 | 148.3° | 63.4° |
| C3' | C4' | C5' | H13 | 28.7° | 56.6° |
| C4' | C3' | O3' | H16 | 62.1° | 180.0° |
| C4' | C3' | C2' | H17 | 97.8° | 118.6° |
| O4' | C4' | C5' | H14 | 119.8° | 122.2° |
| O4' | C4' | C5' | O5' | 29.1° | 67.9° |
| O4' | C4' | C5' | H12 | 91.1° | 52.1° |
| O4' | C4' | C5' | H13 | 149.3° | 172.1° |
| O4' | C4' | C3' | H15 | 112.2° | 94.8° |
| C4' | O4' | C1' | H19 | 77.0° | 78.5° |
| C4' | C5' | O5' | H12 | 120.2° | 120.0° |
| C4' | C5' | O5' | H13 | 120.2° | 120.0° |
| C4' | C5' | O5' | PA | 172.1° | 180.0° |
| C4' | C5' | H12 | H13 | 119.4° | 120.0° |
| C5' | C4' | C3' | H15 | 11.1° | 24.1° |
| CG | CB | CA | H10 | 119.1° | 118.8° |
| CB | CG | CD | H8 | 119.2° | 118.8° |
| CB | CG | CD | H9 | 119.2° | 119.0° |
| CB | CG | CD | N | 27.4° | 23.9° |
| CG | CB | CA | N | 17.7° | 23.8° |
| CG | CB | CA | H4 | 137.6° | 142.6° |
| CG | CB | CA | H5 | 102.1° | 95.0° |
| CB | CG | CD | H6 | 147.1° | 94.9° |
| CB | CG | CD | H7 | 92.3° | 142.7° |
| CB | CG | H8 | H9 | 122.5° | 122.3° |
| CA | CB | CG | CD | 27.0° | 0.0° |
| CB | CA | N | CD | 0.8° | 39.5° |
| CB | CA | N | H4 | 119.9° | 118.8° |
| CB | CA | N | H5 | 119.8° | 118.9° |
| CB | CA | N | PA | 130.5° | 159.0° |
| CB | CA | H4 | H5 | 120.5° | 122.5° |
| CA | CB | CG | H8 | 92.1° | 118.8° |
| CA | CB | CG | H9 | 146.2° | 118.9° |
| CG | CD | N | H6 | 119.7° | 118.8° |
| CG | CD | N | H7 | 119.7° | 118.9° |
| CG | CD | N | CA | 16.6° | 39.5° |
| CG | CD | N | PA | 147.3° | 159.0° |
| CG | CD | H6 | H7 | 120.8° | 122.5° |
| CD | CG | H8 | H9 | 122.4° | 122.2° |
| CD | CG | CB | H10 | 146.1° | 118.9° |
| CD | N | PA | O5' | 81.6° | 64.6° |
| CD | N | CA | PA | 131.3° | 119.6° |
| CD | N | PA | O2A | 33.7° | 175.4° |
| CD | N | PA | O1A | 160.6° | 55.4° |
| CD | N | CA | H4 | 120.7° | 158.2° |
| CD | N | CA | H5 | 119.0° | 79.4° |
| N | CD | H6 | H7 | 120.9° | 122.3° |
| N | CD | CG | H8 | 91.8° | 142.7° |
| N | CD | CG | H9 | 146.6° | 95.1° |
| C5' | O5' | PA | N | 110.8° | 70.0° |
| C5' | O5' | PA | O2A | 129.1° | 50.0° |
| C5' | O5' | PA | O1A | 4.4° | 170.0° |
| O5' | C5' | H12 | H13 | 119.4° | 120.0° |
| O5' | C5' | C4' | H14 | 148.9° | 54.3° |
| O5' | PA | N | CA | 45.0° | 180.0° |
| O5' | PA | N | O2A | 115.3° | 120.0° |
| O5' | PA | N | O1A | 117.9° | 120.0° |
| O5' | PA | O2A | O1A | 119.0° | 120.0° |
| O5' | PA | O1A | H3 | 115.9° | 60.0° |
| PA | O5' | C5' | H12 | 67.7° | 60.1° |
| PA | O5' | C5' | H13 | 51.9° | 60.0° |
| CA | N | PA | O2A | 160.3° | 60.0° |
| CA | N | PA | O1A | 72.9° | 60.0° |
| N | CA | H4 | H5 | 120.5° | 122.4° |
| CA | N | CD | H6 | 136.3° | 79.3° |
| CA | N | CD | H7 | 103.1° | 158.4° |
| N | CA | CB | H10 | 136.8° | 95.0° |
| N | PA | O2A | O1A | 119.5° | 120.0° |
| N | PA | O1A | H3 | 123.1° | 60.0° |
| PA | N | CA | H4 | 10.7° | 82.2° |
| PA | N | CA | H5 | 109.7° | 40.1° |
| PA | N | CD | H6 | 93.0° | 40.2° |
| PA | N | CD | H7 | 27.5° | 82.0° |
| O2A | PA | O1A | H3 | 0.0° | 180.0° |
| H4 | CA | CB | H10 | 103.3° | 23.7° |
| H5 | CA | CB | H10 | 17.0° | 146.1° |
| H6 | CD | CG | H8 | 28.0° | 23.9° |
| H6 | CD | CG | H9 | 93.7° | 146.1° |
| H7 | CD | CG | H8 | 148.5° | 98.4° |
| H7 | CD | CG | H9 | 26.8° | 23.7° |
| H8 | CG | CB | H10 | 26.9° | 122.3° |
| H9 | CG | CB | H10 | 94.8° | 0.1° |
| H12 | C5' | C4' | H14 | 28.7° | 174.3° |
| H13 | C5' | C4' | H14 | 90.8° | 65.7° |
| H14 | C4' | C3' | H15 | 130.7° | 146.4° |
| H15 | C3' | O3' | H16 | 58.2° | 57.4° |
| H15 | C3' | C2' | H17 | 18.9° | 0.1° |
| H17 | C2' | O2' | H18 | 60.2° | 57.3° |
| H17 | C2' | C1' | H19 | 163.5° | 146.6° |
