ABR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.09Å | |
| N1 | C6 | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| N6 | CB | sing | 1.46Å | 1.49Å | |
| N6 | H6 | sing | 0.97Å | 1.01Å | |
| CA | OA | sing | 1.43Å | 1.42Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | CS6 | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.07Å | |
| OA | HOA | sing | 0.97Å | 0.96Å | |
| CB | HB1 | sing | 1.09Å | 1.06Å | |
| CB | HB2 | sing | 1.09Å | 1.08Å | |
| CS6 | CS1 | doub | 1.38Å | 1.40Å | Aromatic |
| CS6 | CS5 | sing | 1.38Å | 1.40Å | Aromatic |
| CS1 | CS2 | sing | 1.38Å | 1.40Å | Aromatic |
| CS1 | HS1 | sing | 1.08Å | 1.08Å | |
| CS5 | CS4 | doub | 1.38Å | 1.40Å | Aromatic |
| CS5 | HS5 | sing | 1.08Å | 1.08Å | |
| CS2 | CS3 | doub | 1.38Å | 1.40Å | Aromatic |
| CS2 | HS2 | sing | 1.08Å | 1.08Å | |
| CS4 | CS3 | sing | 1.38Å | 1.40Å | Aromatic |
| CS4 | HS4 | sing | 1.08Å | 1.08Å | |
| CS3 | HS3 | sing | 1.08Å | 1.08Å | |
| C5 | N7 | sing | 1.35Å | 1.41Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C2' | C3' | sing | 1.54Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| C2' | H2'' | sing | 1.09Å | 1.08Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.9° | 109.4° |
| OP1 | P | O5' | 108.1° | 109.4° |
| OP1 | P | OP3 | 108.2° | 109.5° |
| OP2 | P | O5' | 108.3° | 109.5° |
| OP2 | P | OP3 | 108.5° | 109.5° |
| P | OP2 | HOP2 | 119.8° | 106.8° |
| O5' | P | OP3 | 102.6° | 109.5° |
| P | O5' | C5' | 120.2° | 106.8° |
| P | OP3 | HOP3 | 108.2° | 106.9° |
| O5' | C5' | C4' | 111.9° | 109.6° |
| O5' | C5' | H5' | 108.8° | 109.5° |
| O5' | C5' | H5'' | 109.0° | 109.5° |
| C4' | C5' | H5' | 109.0° | 109.5° |
| C4' | C5' | H5'' | 109.0° | 109.4° |
| C5' | C4' | O4' | 110.8° | 110.3° |
| C5' | C4' | C3' | 110.3° | 110.8° |
| C5' | C4' | H4' | 109.1° | 110.3° |
| H5' | C5' | H5'' | 109.1° | 109.4° |
| O4' | C4' | C3' | 108.0° | 104.7° |
| O4' | C4' | H4' | 109.2° | 110.3° |
| C4' | O4' | C1' | 109.5° | 105.4° |
| C3' | C4' | H4' | 109.4° | 110.3° |
| C4' | C3' | C2' | 105.1° | 104.2° |
| C4' | C3' | O3' | 110.9° | 110.5° |
| C4' | C3' | H3' | 109.6° | 110.4° |
| O4' | C1' | N9 | 111.1° | 110.5° |
| O4' | C1' | C2' | 106.7° | 104.8° |
| O4' | C1' | H1' | 109.7° | 110.4° |
| N9 | C1' | C2' | 110.9° | 110.4° |
| N9 | C1' | H1' | 109.3° | 110.4° |
| C1' | N9 | C4 | 126.6° | 126.3° |
| C1' | N9 | C8 | 129.4° | 126.3° |
| C2' | C1' | H1' | 109.0° | 110.3° |
| C1' | C2' | C3' | 105.7° | 104.1° |
| C1' | C2' | H2' | 110.3° | 110.5° |
| C1' | C2' | H2'' | 110.3° | 110.5° |
| C4 | N9 | C8 | 104.0° | 107.4° |
| N9 | C4 | N3 | 125.8° | 134.9° |
| N9 | C4 | C5 | 106.6° | 106.0° |
| N9 | C8 | N7 | 117.4° | 110.0° |
| N9 | C8 | H8 | 120.7° | 125.1° |
| N3 | C4 | C5 | 127.5° | 119.1° |
| C4 | N3 | C2 | 111.7° | 120.6° |
| C4 | C5 | C6 | 116.3° | 118.2° |
| C4 | C5 | N7 | 110.3° | 107.1° |
| N3 | C2 | N1 | 127.3° | 122.4° |
| N3 | C2 | H2 | 116.4° | 118.8° |
| N1 | C2 | H2 | 116.3° | 118.8° |
| C2 | N1 | C6 | 120.7° | 121.2° |
| N1 | C6 | N6 | 119.6° | 120.7° |
| N1 | C6 | C5 | 116.6° | 118.4° |
| N6 | C6 | C5 | 123.8° | 120.8° |
| C6 | N6 | CB | 121.2° | 120.0° |
| C6 | N6 | H6 | 119.4° | 119.9° |
| C6 | C5 | N7 | 133.4° | 134.7° |
| CB | N6 | H6 | 119.4° | 120.0° |
| N6 | CB | CA | 109.8° | 109.4° |
| N6 | CB | HB1 | 109.9° | 109.5° |
| N6 | CB | HB2 | 109.3° | 109.5° |
| OA | CA | CB | 109.3° | 109.5° |
| OA | CA | CS6 | 109.6° | 109.5° |
| OA | CA | HA | 109.8° | 109.5° |
| CA | OA | HOA | 107.7° | 106.8° |
| CB | CA | CS6 | 109.3° | 109.4° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | HB1 | 108.9° | 109.4° |
| CA | CB | HB2 | 109.7° | 109.4° |
| CS6 | CA | HA | 109.6° | 109.5° |
| CA | CS6 | CS1 | 119.9° | 120.0° |
| CA | CS6 | CS5 | 120.1° | 120.0° |
| HB1 | CB | HB2 | 109.3° | 109.5° |
| CS1 | CS6 | CS5 | 120.0° | 120.0° |
| CS6 | CS1 | CS2 | 120.0° | 120.0° |
| CS6 | CS1 | HS1 | 120.0° | 120.0° |
| CS6 | CS5 | CS4 | 119.9° | 120.0° |
| CS6 | CS5 | HS5 | 120.0° | 120.0° |
| CS2 | CS1 | HS1 | 120.0° | 120.0° |
| CS1 | CS2 | CS3 | 120.0° | 120.0° |
| CS1 | CS2 | HS2 | 120.0° | 120.0° |
| CS4 | CS5 | HS5 | 120.0° | 120.0° |
| CS5 | CS4 | CS3 | 120.0° | 120.0° |
| CS5 | CS4 | HS4 | 120.0° | 120.0° |
| CS3 | CS2 | HS2 | 120.0° | 120.0° |
| CS2 | CS3 | CS4 | 120.0° | 120.0° |
| CS2 | CS3 | HS3 | 119.9° | 120.0° |
| CS3 | CS4 | HS4 | 120.0° | 120.0° |
| CS4 | CS3 | HS3 | 120.1° | 120.0° |
| C5 | N7 | C8 | 101.6° | 109.5° |
| N7 | C8 | H8 | 122.0° | 125.0° |
| C3' | C2' | H2' | 109.9° | 110.6° |
| C3' | C2' | H2'' | 110.3° | 110.5° |
| C2' | C3' | O3' | 110.9° | 110.5° |
| C2' | C3' | H3' | 109.8° | 110.5° |
| H2' | C2' | H2'' | 110.3° | 110.5° |
| O3' | C3' | H3' | 110.4° | 110.4° |
| C3' | O3' | HO3' | 110.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 124.6° | 119.9° |
| OP1 | P | OP2 | OP3 | 124.9° | 120.1° |
| OP1 | P | O5' | OP3 | 114.2° | 120.1° |
| OP1 | P | OP2 | HOP2 | 179.9° | 60.0° |
| OP1 | P | O5' | C5' | 41.0° | 60.1° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP2 | P | O5' | OP3 | 114.5° | 120.0° |
| OP2 | P | O5' | C5' | 172.3° | 180.0° |
| OP2 | P | OP3 | HOP3 | 48.5° | 60.0° |
| O5' | P | OP2 | HOP2 | 55.4° | 179.9° |
| P | O5' | C5' | C4' | 163.0° | 180.0° |
| P | O5' | C5' | H5' | 76.5° | 59.9° |
| P | O5' | C5' | H5'' | 42.3° | 60.0° |
| O5' | P | OP3 | HOP3 | 65.9° | 60.0° |
| OP3 | P | OP2 | HOP2 | 55.2° | 60.1° |
| OP3 | P | O5' | C5' | 73.2° | 60.0° |
| O5' | C5' | C4' | H5' | 120.4° | 120.1° |
| O5' | C5' | C4' | H5'' | 120.6° | 120.1° |
| O5' | C5' | H5' | H5'' | 118.8° | 120.0° |
| O5' | C5' | C4' | O4' | 55.7° | 61.4° |
| O5' | C5' | C4' | C3' | 63.8° | 176.9° |
| O5' | C5' | C4' | H4' | 176.1° | 60.8° |
| C4' | C5' | H5' | H5'' | 118.9° | 119.9° |
| C5' | C4' | O4' | C3' | 120.9° | 119.2° |
| C5' | C4' | O4' | H4' | 120.3° | 122.2° |
| C5' | C4' | C3' | H4' | 120.0° | 122.4° |
| C5' | C4' | O4' | C1' | 125.3° | 159.5° |
| C5' | C4' | C3' | C2' | 111.2° | 142.7° |
| C5' | C4' | C3' | O3' | 128.9° | 98.5° |
| C5' | C4' | C3' | H3' | 6.7° | 24.0° |
| H5' | C5' | C4' | O4' | 64.7° | 178.5° |
| H5' | C5' | C4' | C3' | 175.8° | 63.1° |
| H5' | C5' | C4' | H4' | 55.7° | 59.3° |
| H5'' | C5' | C4' | O4' | 176.4° | 58.7° |
| H5'' | C5' | C4' | C3' | 56.9° | 56.8° |
| H5'' | C5' | C4' | H4' | 63.3° | 179.2° |
| O4' | C4' | C3' | H4' | 118.8° | 118.7° |
| C4' | O4' | C1' | N9 | 138.1° | 159.3° |
| C4' | O4' | C1' | C2' | 17.1° | 40.4° |
| C4' | O4' | C1' | H1' | 100.9° | 78.3° |
| O4' | C4' | C3' | C2' | 10.0° | 23.8° |
| O4' | C4' | C3' | O3' | 109.9° | 142.5° |
| O4' | C4' | C3' | H3' | 127.9° | 94.9° |
| C3' | C4' | O4' | C1' | 4.4° | 40.3° |
| C4' | C3' | C2' | C1' | 19.8° | 0.1° |
| C4' | C3' | C2' | O3' | 119.9° | 118.8° |
| C4' | C3' | C2' | H3' | 117.8° | 118.6° |
| C4' | C3' | C2' | H2' | 99.2° | 118.6° |
| C4' | C3' | C2' | H2'' | 139.0° | 118.7° |
| C4' | C3' | O3' | H3' | 121.7° | 122.5° |
| C4' | C3' | O3' | HO3' | 180.0° | 178.1° |
| H4' | C4' | O4' | C1' | 114.4° | 78.3° |
| H4' | C4' | C3' | C2' | 128.8° | 94.9° |
| H4' | C4' | C3' | O3' | 8.9° | 23.9° |
| H4' | C4' | C3' | H3' | 113.3° | 146.4° |
| O4' | C1' | N9 | C2' | 118.6° | 115.4° |
| O4' | C1' | N9 | H1' | 121.2° | 122.4° |
| O4' | C1' | C2' | H1' | 118.4° | 118.8° |
| O4' | C1' | N9 | C4 | 108.8° | 154.8° |
| O4' | C1' | N9 | C8 | 71.6° | 25.4° |
| O4' | C1' | C2' | C3' | 23.0° | 24.0° |
| O4' | C1' | C2' | H2' | 95.8° | 94.7° |
| O4' | C1' | C2' | H2'' | 142.2° | 142.7° |
| N9 | C1' | C2' | H1' | 120.4° | 122.3° |
| C1' | N9 | C4 | C8 | 179.6° | 179.8° |
| C1' | N9 | C4 | N3 | 0.4° | 0.7° |
| C1' | N9 | C4 | C5 | 179.6° | 179.8° |
| C1' | N9 | C8 | N7 | 179.7° | 180.0° |
| C1' | N9 | C8 | H8 | 0.5° | 0.0° |
| N9 | C1' | C2' | C3' | 144.2° | 142.9° |
| N9 | C1' | C2' | H2' | 25.4° | 24.2° |
| N9 | C1' | C2' | H2'' | 96.6° | 98.4° |
| C2' | C1' | N9 | C4 | 132.6° | 89.8° |
| C2' | C1' | N9 | C8 | 46.9° | 90.0° |
| C1' | C2' | C3' | H2' | 119.0° | 118.7° |
| C1' | C2' | C3' | H2'' | 119.2° | 118.6° |
| C1' | C2' | H2' | H2'' | 122.0° | 122.6° |
| C1' | C2' | C3' | O3' | 100.0° | 118.7° |
| C1' | C2' | C3' | H3' | 137.6° | 118.7° |
| H1' | C1' | N9 | C4 | 12.4° | 32.4° |
| H1' | C1' | N9 | C8 | 167.2° | 147.8° |
| H1' | C1' | C2' | C3' | 95.4° | 94.8° |
| H1' | C1' | C2' | H2' | 145.8° | 146.5° |
| H1' | C1' | C2' | H2'' | 23.8° | 23.9° |
| N9 | C4 | N3 | C5 | 180.0° | 179.1° |
| N9 | C4 | N3 | C2 | 180.0° | 179.6° |
| N9 | C4 | C5 | C6 | 179.9° | 179.9° |
| N9 | C4 | C5 | N7 | 0.0° | 0.4° |
| C4 | N9 | C8 | N7 | 0.0° | 0.2° |
| C4 | N9 | C8 | H8 | 179.8° | 179.8° |
| C8 | N9 | C4 | N3 | 180.0° | 179.5° |
| C8 | N9 | C4 | C5 | 0.0° | 0.4° |
| N9 | C8 | N7 | C5 | 0.0° | 0.1° |
| N9 | C8 | N7 | H8 | 179.8° | 180.0° |
| C4 | N3 | C2 | N1 | 0.0° | 0.3° |
| C4 | N3 | C2 | H2 | 179.8° | 179.7° |
| N3 | C4 | C5 | C6 | 0.1° | 0.6° |
| N3 | C4 | C5 | N7 | 180.0° | 179.7° |
| C5 | C4 | N3 | C2 | 0.1° | 0.6° |
| C4 | C5 | C6 | N1 | 0.1° | 0.3° |
| C4 | C5 | C6 | N6 | 179.7° | 179.7° |
| C4 | C5 | C6 | N7 | 179.9° | 179.6° |
| C4 | C5 | N7 | C8 | 0.0° | 0.3° |
| N3 | C2 | N1 | H2 | 179.8° | 180.0° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 179.7° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| H2 | C2 | N1 | C6 | 179.8° | 180.0° |
| N1 | C6 | N6 | C5 | 179.6° | 180.0° |
| N1 | C6 | N6 | CB | 179.2° | 0.0° |
| N1 | C6 | N6 | H6 | 0.5° | 180.0° |
| N1 | C6 | C5 | N7 | 179.9° | 179.9° |
| C6 | N6 | CB | H6 | 179.6° | 180.0° |
| C6 | N6 | CB | CA | 86.1° | 180.0° |
| C6 | N6 | CB | HB1 | 33.6° | 60.1° |
| C6 | N6 | CB | HB2 | 153.5° | 60.0° |
| N6 | C6 | C5 | N7 | 0.4° | 0.1° |
| C5 | C6 | N6 | CB | 0.5° | 179.9° |
| C5 | C6 | N6 | H6 | 179.9° | 0.0° |
| C6 | C5 | N7 | C8 | 179.9° | 179.9° |
| N6 | CB | CA | OA | 54.2° | 60.0° |
| N6 | CB | CA | HB1 | 120.3° | 120.0° |
| N6 | CB | CA | HB2 | 120.1° | 120.0° |
| N6 | CB | CA | CS6 | 174.3° | 180.0° |
| N6 | CB | CA | HA | 65.9° | 60.0° |
| N6 | CB | HB1 | HB2 | 119.9° | 120.1° |
| H6 | N6 | CB | CA | 93.6° | 0.0° |
| H6 | N6 | CB | HB1 | 146.7° | 120.0° |
| H6 | N6 | CB | HB2 | 26.8° | 119.9° |
| OA | CA | CB | CS6 | 120.0° | 120.0° |
| OA | CA | CB | HA | 120.1° | 120.0° |
| OA | CA | CS6 | HA | 120.5° | 120.0° |
| OA | CA | CB | HB1 | 66.0° | 180.0° |
| OA | CA | CB | HB2 | 174.4° | 60.0° |
| OA | CA | CS6 | CS1 | 55.9° | 30.0° |
| OA | CA | CS6 | CS5 | 124.1° | 149.7° |
| CB | CA | CS6 | HA | 119.6° | 120.0° |
| CB | CA | OA | HOA | 30.6° | 60.0° |
| CA | CB | HB1 | HB2 | 119.8° | 120.0° |
| CB | CA | CS6 | CS1 | 63.9° | 90.0° |
| CB | CA | CS6 | CS5 | 116.0° | 90.3° |
| CS6 | CA | OA | HOA | 89.3° | 60.0° |
| CS6 | CA | CB | HB1 | 54.0° | 60.0° |
| CS6 | CA | CB | HB2 | 65.6° | 60.0° |
| CA | CS6 | CS1 | CS5 | 179.9° | 179.7° |
| CA | CS6 | CS1 | CS2 | 180.0° | 180.0° |
| CA | CS6 | CS1 | HS1 | 0.0° | 0.0° |
| CA | CS6 | CS5 | CS4 | 179.9° | 179.8° |
| CA | CS6 | CS5 | HS5 | 0.0° | 0.2° |
| HA | CA | OA | HOA | 150.3° | 180.0° |
| HA | CA | CB | HB1 | 173.8° | 60.0° |
| HA | CA | CB | HB2 | 54.3° | 180.0° |
| HA | CA | CS6 | CS1 | 176.5° | 150.0° |
| HA | CA | CS6 | CS5 | 3.6° | 29.7° |
| CS6 | CS1 | CS2 | HS1 | 180.0° | 180.0° |
| CS1 | CS6 | CS5 | CS4 | 0.0° | 0.5° |
| CS1 | CS6 | CS5 | HS5 | 180.0° | 179.9° |
| CS6 | CS1 | CS2 | CS3 | 0.1° | 0.0° |
| CS6 | CS1 | CS2 | HS2 | 180.0° | 179.9° |
| CS5 | CS6 | CS1 | CS2 | 0.0° | 0.2° |
| CS5 | CS6 | CS1 | HS1 | 179.9° | 179.7° |
| CS6 | CS5 | CS4 | HS5 | 179.9° | 179.7° |
| CS6 | CS5 | CS4 | CS3 | 0.0° | 0.4° |
| CS6 | CS5 | CS4 | HS4 | 180.0° | 179.8° |
| CS1 | CS2 | CS3 | HS2 | 179.9° | 179.8° |
| CS1 | CS2 | CS3 | CS4 | 0.1° | 0.1° |
| CS1 | CS2 | CS3 | HS3 | 180.0° | 180.0° |
| HS1 | CS1 | CS2 | CS3 | 179.9° | 180.0° |
| HS1 | CS1 | CS2 | HS2 | 0.0° | 0.1° |
| CS5 | CS4 | CS3 | CS2 | 0.0° | 0.1° |
| CS5 | CS4 | CS3 | HS4 | 179.9° | 179.8° |
| CS5 | CS4 | CS3 | HS3 | 179.9° | 179.8° |
| HS5 | CS5 | CS4 | CS3 | 180.0° | 180.0° |
| HS5 | CS5 | CS4 | HS4 | 0.1° | 0.1° |
| CS2 | CS3 | CS4 | HS3 | 179.9° | 179.9° |
| CS2 | CS3 | CS4 | HS4 | 179.9° | 179.9° |
| HS2 | CS2 | CS3 | CS4 | 180.0° | 180.0° |
| HS2 | CS2 | CS3 | HS3 | 0.1° | 0.1° |
| HS4 | CS4 | CS3 | HS3 | 0.0° | 0.0° |
| C5 | N7 | C8 | H8 | 179.9° | 179.9° |
| C3' | C2' | H2' | H2'' | 121.9° | 122.7° |
| C2' | C3' | O3' | H3' | 122.0° | 122.6° |
| C2' | C3' | O3' | HO3' | 63.6° | 63.3° |
| H2' | C2' | C3' | O3' | 141.0° | 122.7° |
| H2' | C2' | C3' | H3' | 18.7° | 0.1° |
| H2'' | C2' | C3' | O3' | 19.2° | 0.0° |
| H2'' | C2' | C3' | H3' | 103.2° | 122.6° |
| H3' | C3' | O3' | HO3' | 58.3° | 59.3° |
