AS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | sing | 1.61Å | 1.48Å | |
| P | S2P | doub | 1.86Å | 2.13Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | S2P | 120.3° | 109.5° |
| OP1 | P | OP3 | 107.8° | 109.5° |
| OP1 | P | O5' | 108.0° | 109.5° |
| P | OP1 | HOP1 | 109.5° | 114.0° |
| S2P | P | OP3 | 107.5° | 109.4° |
| S2P | P | O5' | 106.4° | 109.5° |
| OP3 | P | O5' | 105.9° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 113.9° |
| P | O5' | C5' | 123.0° | 123.0° |
| O5' | C5' | C4' | 109.2° | 109.5° |
| O5' | C5' | H5' | 109.6° | 109.5° |
| O5' | C5' | H5'' | 109.5° | 109.4° |
| C4' | C5' | H5' | 109.5° | 109.5° |
| C4' | C5' | H5'' | 109.6° | 109.5° |
| C5' | C4' | O4' | 109.1° | 110.6° |
| C5' | C4' | C3' | 112.8° | 110.6° |
| C5' | C4' | H4' | 109.0° | 110.6° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| O4' | C4' | C3' | 106.1° | 103.5° |
| O4' | C4' | H4' | 110.7° | 110.6° |
| C4' | O4' | C1' | 108.6° | 106.9° |
| C3' | C4' | H4' | 109.1° | 110.8° |
| C4' | C3' | O3' | 112.7° | 110.9° |
| C4' | C3' | C2' | 103.1° | 102.1° |
| C4' | C3' | H3' | 109.1° | 111.0° |
| O4' | C1' | C2' | 106.8° | 107.3° |
| O4' | C1' | N9 | 111.4° | 109.9° |
| O4' | C1' | H1' | 110.9° | 109.9° |
| O3' | C3' | C2' | 111.9° | 110.9° |
| O3' | C3' | H3' | 110.7° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 113.9° |
| C2' | C3' | H3' | 109.2° | 111.0° |
| C3' | C2' | C1' | 105.7° | 104.2° |
| C3' | C2' | H2' | 110.4° | 110.5° |
| C3' | C2' | H2'' | 110.4° | 110.5° |
| C1' | C2' | H2' | 110.4° | 110.5° |
| C1' | C2' | H2'' | 110.4° | 110.5° |
| C2' | C1' | N9 | 108.3° | 109.9° |
| C2' | C1' | H1' | 109.3° | 109.9° |
| H2' | C2' | H2'' | 109.4° | 110.5° |
| N9 | C1' | H1' | 110.0° | 109.9° |
| C1' | N9 | C8 | 128.6° | 126.3° |
| C1' | N9 | C4 | 125.6° | 126.3° |
| C8 | N9 | C4 | 105.1° | 107.4° |
| N9 | C8 | N7 | 114.3° | 110.0° |
| N9 | C8 | H8 | 122.8° | 125.0° |
| N9 | C4 | C5 | 106.2° | 106.0° |
| N9 | C4 | N3 | 127.0° | 134.9° |
| N7 | C8 | H8 | 122.8° | 125.1° |
| C8 | N7 | C5 | 103.5° | 109.5° |
| N7 | C5 | C6 | 132.9° | 134.7° |
| N7 | C5 | C4 | 110.7° | 107.1° |
| C6 | C5 | C4 | 116.3° | 118.2° |
| C5 | C6 | N6 | 122.9° | 120.8° |
| C5 | C6 | N1 | 118.3° | 118.4° |
| C5 | C4 | N3 | 126.8° | 119.1° |
| N6 | C6 | N1 | 118.9° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.4° | 120.0° |
| C6 | N1 | C2 | 119.3° | 121.2° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
| N1 | C2 | N3 | 128.3° | 122.5° |
| N1 | C2 | H2 | 115.8° | 118.8° |
| N3 | C2 | H2 | 115.9° | 118.8° |
| C2 | N3 | C4 | 111.1° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | S2P | OP3 | 123.9° | 120.0° |
| OP1 | P | S2P | O5' | 123.1° | 120.0° |
| OP1 | P | OP3 | O5' | 115.4° | 120.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 60.0° |
| OP1 | P | O5' | C5' | 36.1° | 165.0° |
| S2P | P | OP3 | O5' | 113.4° | 120.0° |
| S2P | P | OP1 | HOP1 | 180.0° | 60.1° |
| S2P | P | OP3 | HOP3 | 48.8° | 180.0° |
| S2P | P | O5' | C5' | 166.6° | 45.0° |
| OP3 | P | OP1 | HOP1 | 56.3° | 59.9° |
| OP3 | P | O5' | C5' | 79.2° | 75.0° |
| O5' | P | OP1 | HOP1 | 57.7° | 180.0° |
| O5' | P | OP3 | HOP3 | 64.6° | 60.0° |
| P | O5' | C5' | C4' | 178.3° | 180.0° |
| P | O5' | C5' | H5' | 61.8° | 60.0° |
| P | O5' | C5' | H5'' | 58.3° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.9° | 119.9° |
| O5' | C5' | H5' | H5'' | 120.1° | 119.9° |
| O5' | C5' | C4' | O4' | 53.8° | 66.5° |
| O5' | C5' | C4' | C3' | 63.9° | 179.5° |
| O5' | C5' | C4' | H4' | 174.8° | 56.4° |
| C4' | C5' | H5' | H5'' | 120.1° | 120.0° |
| C5' | C4' | O4' | C3' | 121.8° | 118.4° |
| C5' | C4' | O4' | H4' | 120.0° | 122.9° |
| C5' | C4' | C3' | H4' | 121.3° | 123.0° |
| C5' | C4' | O4' | C1' | 154.5° | 158.5° |
| C5' | C4' | C3' | O3' | 94.7° | 86.3° |
| C5' | C4' | C3' | C2' | 144.6° | 155.5° |
| C5' | C4' | C3' | H3' | 28.6° | 37.3° |
| H5' | C5' | C4' | O4' | 173.8° | 53.5° |
| H5' | C5' | C4' | C3' | 56.1° | 60.5° |
| H5' | C5' | C4' | H4' | 65.2° | 176.4° |
| H5'' | C5' | C4' | O4' | 66.1° | 173.6° |
| H5'' | C5' | C4' | C3' | 176.2° | 59.6° |
| H5'' | C5' | C4' | H4' | 54.9° | 63.5° |
| O4' | C4' | C3' | H4' | 119.3° | 118.6° |
| O4' | C4' | C3' | O3' | 145.9° | 155.2° |
| O4' | C4' | C3' | C2' | 25.2° | 37.1° |
| O4' | C4' | C3' | H3' | 90.8° | 81.2° |
| C4' | O4' | C1' | C2' | 26.3° | 26.5° |
| C4' | O4' | C1' | N9 | 144.4° | 146.0° |
| C4' | O4' | C1' | H1' | 92.7° | 92.9° |
| C3' | C4' | O4' | C1' | 32.7° | 40.1° |
| C4' | C3' | O3' | C2' | 115.6° | 112.6° |
| C4' | C3' | O3' | H3' | 122.4° | 123.7° |
| C4' | C3' | C2' | H3' | 115.9° | 118.3° |
| C4' | C3' | O3' | HO3' | 180.0° | 179.9° |
| C4' | C3' | C2' | C1' | 9.4° | 20.9° |
| C4' | C3' | C2' | H2' | 128.8° | 139.6° |
| C4' | C3' | C2' | H2'' | 110.0° | 97.8° |
| H4' | C4' | O4' | C1' | 85.5° | 78.6° |
| H4' | C4' | C3' | O3' | 26.6° | 36.6° |
| H4' | C4' | C3' | C2' | 94.1° | 81.5° |
| H4' | C4' | C3' | H3' | 149.9° | 160.2° |
| O4' | C1' | C2' | C3' | 9.3° | 2.0° |
| O4' | C1' | C2' | N9 | 120.1° | 119.4° |
| O4' | C1' | C2' | H1' | 120.1° | 119.5° |
| O4' | C1' | C2' | H2' | 110.2° | 116.7° |
| O4' | C1' | C2' | H2'' | 128.7° | 120.7° |
| O4' | C1' | N9 | H1' | 123.4° | 121.1° |
| O4' | C1' | N9 | C8 | 31.5° | 23.6° |
| O4' | C1' | N9 | C4 | 159.7° | 156.7° |
| O3' | C3' | C2' | H3' | 122.8° | 123.6° |
| O3' | C3' | C2' | C1' | 130.7° | 139.0° |
| O3' | C3' | C2' | H2' | 109.9° | 102.3° |
| O3' | C3' | C2' | H2'' | 11.3° | 20.4° |
| C2' | C3' | O3' | HO3' | 64.4° | 67.3° |
| C3' | C2' | C1' | H2' | 119.4° | 118.7° |
| C3' | C2' | C1' | H2'' | 119.4° | 118.7° |
| C3' | C2' | H2' | H2'' | 121.7° | 122.6° |
| C3' | C2' | C1' | N9 | 129.3° | 121.4° |
| C3' | C2' | C1' | H1' | 110.8° | 117.4° |
| H3' | C3' | O3' | HO3' | 57.6° | 56.4° |
| H3' | C3' | C2' | C1' | 106.4° | 97.4° |
| H3' | C3' | C2' | H2' | 13.0° | 21.3° |
| H3' | C3' | C2' | H2'' | 134.1° | 144.0° |
| C1' | C2' | H2' | H2'' | 121.7° | 122.6° |
| C2' | C1' | N9 | H1' | 119.5° | 121.1° |
| C2' | C1' | N9 | C8 | 85.6° | 94.2° |
| C2' | C1' | N9 | C4 | 83.2° | 85.4° |
| H2' | C2' | C1' | N9 | 9.9° | 2.8° |
| H2' | C2' | C1' | H1' | 129.8° | 123.9° |
| H2'' | C2' | C1' | N9 | 111.2° | 119.8° |
| H2'' | C2' | C1' | H1' | 8.6° | 1.3° |
| C1' | N9 | C8 | C4 | 170.6° | 179.7° |
| C1' | N9 | C8 | N7 | 174.0° | 180.0° |
| C1' | N9 | C8 | H8 | 5.9° | 0.0° |
| C1' | N9 | C4 | C5 | 175.0° | 179.9° |
| C1' | N9 | C4 | N3 | 4.8° | 0.8° |
| H1' | C1' | N9 | C8 | 154.9° | 144.7° |
| H1' | C1' | N9 | C4 | 36.3° | 35.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 1.2° | 0.0° |
| C8 | N9 | C4 | C5 | 4.0° | 0.4° |
| C8 | N9 | C4 | N3 | 175.8° | 179.5° |
| C4 | N9 | C8 | N7 | 3.4° | 0.3° |
| C4 | N9 | C8 | H8 | 176.6° | 179.7° |
| N9 | C4 | C5 | N7 | 3.6° | 0.4° |
| N9 | C4 | C5 | C6 | 178.4° | 179.8° |
| N9 | C4 | C5 | N3 | 179.8° | 179.3° |
| N9 | C4 | N3 | C2 | 178.7° | 179.5° |
| C8 | N7 | C5 | C6 | 179.1° | 180.0° |
| C8 | N7 | C5 | C4 | 1.5° | 0.3° |
| H8 | C8 | N7 | C5 | 178.7° | 180.0° |
| N7 | C5 | C6 | C4 | 177.5° | 179.7° |
| N7 | C5 | C6 | N6 | 2.8° | 0.0° |
| N7 | C5 | C6 | N1 | 176.8° | 179.9° |
| N7 | C5 | C4 | N3 | 176.3° | 179.7° |
| C5 | C6 | N6 | N1 | 179.6° | 180.0° |
| C5 | C6 | N6 | HN61 | 179.6° | 0.0° |
| C5 | C6 | N6 | HN62 | 60.4° | 180.0° |
| C5 | C6 | N1 | C2 | 0.6° | 0.0° |
| C6 | C5 | C4 | N3 | 1.8° | 0.6° |
| C4 | C5 | C6 | N6 | 179.7° | 179.7° |
| C4 | C5 | C6 | N1 | 0.6° | 0.3° |
| C5 | C4 | N3 | C2 | 1.5° | 0.6° |
| C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |
| N6 | C6 | N1 | C2 | 179.1° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.0° |
| C6 | N1 | C2 | N3 | 0.9° | 0.0° |
| C6 | N1 | C2 | H2 | 179.1° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.3° |
| H2 | C2 | N3 | C4 | 179.9° | 179.7° |
