IG
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 | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| O2' | HO2' | sing | 0.97Å | 0.96Å | |
| N6 | C6 | sing | 1.37Å | 1.33Å | |
| N6 | H61 | sing | 0.97Å | 1.01Å | |
| N6 | H62 | sing | 0.97Å | 1.02Å | |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | |
| C6 | N1 | sing | 1.36Å | 1.38Å | |
| C5 | N7 | sing | 1.36Å | 1.39Å | |
| C5 | C4 | sing | 1.41Å | 1.37Å | |
| N7 | C8 | doub | 1.30Å | 1.30Å | |
| C8 | N9 | sing | 1.37Å | 1.37Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | |
| C4 | N3 | doub | 1.33Å | 1.36Å | |
| N3 | C2 | sing | 1.33Å | 1.37Å | |
| C2 | N1 | sing | 1.34Å | 1.39Å | |
| N1 | H1 | sing | 0.97Å | 1.01Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 120.2° | 109.5° |
| OP1 | P | OP3 | 108.2° | 109.5° |
| OP1 | P | O5' | 109.2° | 109.4° |
| OP2 | P | OP3 | 108.4° | 109.5° |
| OP2 | P | O5' | 109.0° | 109.5° |
| P | OP2 | HOP2 | 120.3° | 106.8° |
| OP3 | P | O5' | 99.8° | 109.5° |
| P | OP3 | HOP3 | 108.2° | 106.8° |
| P | O5' | C5' | 120.8° | 106.8° |
| O5' | C5' | C4' | 111.6° | 109.5° |
| O5' | C5' | H5' | 109.6° | 109.5° |
| O5' | C5' | H5'' | 109.1° | 109.5° |
| C3' | O3' | HO3' | 111.8° | 106.8° |
| O3' | C3' | C2' | 111.8° | 110.6° |
| O3' | C3' | C4' | 112.6° | 110.5° |
| O3' | C3' | H3' | 111.8° | 110.5° |
| C2' | C1' | O4' | 107.1° | 104.9° |
| C2' | C1' | N9 | 111.1° | 110.4° |
| C2' | C1' | H1' | 109.1° | 110.4° |
| C1' | C2' | C3' | 102.4° | 104.0° |
| C1' | C2' | O2' | 108.5° | 110.8° |
| C1' | C2' | H2' | 112.1° | 110.5° |
| O4' | C1' | N9 | 110.4° | 110.3° |
| O4' | C1' | H1' | 110.4° | 110.4° |
| C1' | O4' | C4' | 109.0° | 105.3° |
| N9 | C1' | H1' | 108.7° | 110.3° |
| C1' | N9 | C8 | 129.4° | 126.2° |
| C1' | N9 | C4 | 125.5° | 126.2° |
| C3' | C2' | O2' | 111.1° | 110.5° |
| C3' | C2' | H2' | 111.6° | 110.5° |
| C2' | C3' | C4' | 100.0° | 104.0° |
| C2' | C3' | H3' | 110.1° | 110.6° |
| O2' | C2' | H2' | 110.7° | 110.4° |
| C2' | O2' | HO2' | 106.8° | 106.8° |
| C4' | C3' | H3' | 110.0° | 110.5° |
| C3' | C4' | C5' | 114.6° | 110.5° |
| C3' | C4' | O4' | 106.8° | 104.8° |
| C3' | C4' | H4' | 108.0° | 110.3° |
| C5' | C4' | O4' | 110.7° | 110.4° |
| C5' | C4' | H4' | 108.5° | 110.3° |
| C4' | C5' | H5' | 108.2° | 109.5° |
| C4' | C5' | H5'' | 109.5° | 109.4° |
| O4' | C4' | H4' | 107.8° | 110.4° |
| H5' | C5' | H5'' | 108.7° | 109.5° |
| C6 | N6 | H61 | 119.2° | 120.0° |
| C6 | N6 | H62 | 121.1° | 120.0° |
| N6 | C6 | C5 | 124.5° | 120.8° |
| N6 | C6 | N1 | 115.6° | 120.7° |
| H61 | N6 | H62 | 119.7° | 119.9° |
| O2 | C2 | N3 | 123.1° | 119.1° |
| O2 | C2 | N1 | 119.8° | 119.0° |
| C5 | C6 | N1 | 119.9° | 118.4° |
| C6 | C5 | N7 | 134.4° | 134.3° |
| C6 | C5 | C4 | 114.9° | 118.6° |
| C6 | N1 | C2 | 123.0° | 120.4° |
| C6 | N1 | H1 | 119.2° | 119.8° |
| N7 | C5 | C4 | 110.7° | 107.1° |
| C5 | N7 | C8 | 103.3° | 109.4° |
| C5 | C4 | N9 | 106.4° | 106.0° |
| C5 | C4 | N3 | 125.3° | 119.6° |
| N7 | C8 | N9 | 114.5° | 110.0° |
| N7 | C8 | H8 | 122.6° | 125.0° |
| N9 | C8 | H8 | 122.8° | 125.0° |
| C8 | N9 | C4 | 105.0° | 107.6° |
| N9 | C4 | N3 | 128.2° | 134.4° |
| C4 | N3 | C2 | 119.8° | 121.0° |
| N3 | C2 | N1 | 117.1° | 121.9° |
| C2 | N1 | H1 | 117.8° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 125.1° | 120.0° |
| OP1 | P | OP2 | O5' | 127.2° | 120.0° |
| OP1 | P | OP3 | O5' | 114.1° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 33.9° | 60.0° |
| OP2 | P | OP3 | O5' | 114.0° | 120.0° |
| OP2 | P | OP3 | HOP3 | 48.0° | 59.9° |
| OP2 | P | O5' | C5' | 167.1° | 180.0° |
| OP3 | P | OP2 | HOP2 | 54.9° | 60.1° |
| OP3 | P | O5' | C5' | 79.4° | 60.0° |
| O5' | P | OP2 | HOP2 | 52.8° | 179.9° |
| O5' | P | OP3 | HOP3 | 66.0° | 60.0° |
| P | O5' | C5' | C4' | 158.1° | 180.0° |
| P | O5' | C5' | H5' | 38.2° | 60.0° |
| P | O5' | C5' | H5'' | 80.7° | 60.0° |
| O5' | C5' | C4' | C3' | 56.1° | 176.9° |
| O5' | C5' | C4' | H5' | 120.7° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.9° | 120.0° |
| O5' | C5' | C4' | O4' | 64.8° | 61.5° |
| O5' | C5' | C4' | H4' | 177.0° | 60.8° |
| O5' | C5' | H5' | H5'' | 119.2° | 120.0° |
| O3' | C3' | C2' | C1' | 155.8° | 118.8° |
| O3' | C3' | C2' | C4' | 119.4° | 118.7° |
| O3' | C3' | C2' | H3' | 124.9° | 122.7° |
| O3' | C3' | C2' | O2' | 40.1° | 0.2° |
| O3' | C3' | C2' | H2' | 84.1° | 122.7° |
| O3' | C3' | C4' | H3' | 125.4° | 122.6° |
| O3' | C3' | C4' | C5' | 83.0° | 98.3° |
| O3' | C3' | C4' | O4' | 153.9° | 142.8° |
| O3' | C3' | C4' | H4' | 38.1° | 23.9° |
| HO3' | O3' | C3' | C2' | 180.0° | 65.3° |
| HO3' | O3' | C3' | C4' | 68.4° | 180.0° |
| HO3' | O3' | C3' | H3' | 56.0° | 57.4° |
| C2' | C1' | O4' | N9 | 121.1° | 118.9° |
| C2' | C1' | O4' | H1' | 118.7° | 118.9° |
| C2' | C1' | N9 | H1' | 120.1° | 122.2° |
| C1' | C2' | C3' | O2' | 115.7° | 119.0° |
| C1' | C2' | C3' | H2' | 120.1° | 118.6° |
| C1' | C2' | O2' | H2' | 123.5° | 122.7° |
| C1' | C2' | C3' | C4' | 36.4° | 0.1° |
| C1' | C2' | C3' | H3' | 79.3° | 118.5° |
| C2' | C1' | O4' | C4' | 5.1° | 40.5° |
| C1' | C2' | O2' | HO2' | 154.8° | 176.1° |
| C2' | C1' | N9 | C8 | 101.3° | 58.4° |
| C2' | C1' | N9 | C4 | 81.4° | 121.5° |
| O4' | C1' | N9 | H1' | 121.3° | 122.3° |
| O4' | C1' | C2' | C3' | 27.1° | 23.9° |
| O4' | C1' | C2' | O2' | 90.5° | 142.7° |
| O4' | C1' | C2' | H2' | 146.9° | 94.7° |
| C1' | O4' | C4' | C3' | 19.3° | 40.5° |
| C1' | O4' | C4' | C5' | 144.8° | 159.5° |
| C1' | O4' | C4' | H4' | 96.6° | 78.3° |
| O4' | C1' | N9 | C8 | 17.4° | 57.1° |
| O4' | C1' | N9 | C4 | 159.9° | 123.0° |
| N9 | C1' | C2' | C3' | 93.5° | 142.7° |
| N9 | C1' | C2' | O2' | 148.9° | 98.5° |
| N9 | C1' | C2' | H2' | 26.3° | 24.1° |
| N9 | C1' | O4' | C4' | 116.0° | 159.4° |
| C1' | N9 | C4 | C5 | 176.0° | 180.0° |
| C1' | N9 | C8 | N7 | 175.7° | 180.0° |
| C1' | N9 | C8 | C4 | 177.7° | 179.9° |
| C1' | N9 | C8 | H8 | 2.3° | 0.1° |
| C1' | N9 | C4 | N3 | 3.6° | 0.1° |
| H1' | C1' | C2' | C3' | 146.6° | 95.1° |
| H1' | C1' | C2' | O2' | 29.1° | 23.7° |
| H1' | C1' | C2' | H2' | 93.6° | 146.3° |
| H1' | C1' | O4' | C4' | 123.8° | 78.4° |
| H1' | C1' | N9 | C8 | 138.6° | 179.4° |
| H1' | C1' | N9 | C4 | 38.7° | 0.8° |
| C3' | C2' | O2' | H2' | 124.7° | 122.5° |
| C2' | C3' | C4' | H3' | 115.8° | 118.7° |
| C2' | C3' | C4' | C5' | 158.1° | 143.0° |
| C2' | C3' | C4' | O4' | 35.1° | 24.1° |
| C2' | C3' | C4' | H4' | 80.7° | 94.8° |
| C3' | C2' | O2' | HO2' | 42.9° | 61.4° |
| O2' | C2' | C3' | C4' | 79.3° | 118.9° |
| O2' | C2' | C3' | H3' | 165.0° | 122.5° |
| H2' | C2' | C3' | C4' | 156.5° | 118.7° |
| H2' | C2' | C3' | H3' | 40.8° | 0.0° |
| H2' | C2' | O2' | HO2' | 81.8° | 61.2° |
| C3' | C4' | C5' | O4' | 120.9° | 115.5° |
| C3' | C4' | C5' | H4' | 120.9° | 122.2° |
| C3' | C4' | O4' | H4' | 115.9° | 118.8° |
| C3' | C4' | C5' | H5' | 176.8° | 63.1° |
| C3' | C4' | C5' | H5'' | 64.8° | 57.0° |
| H3' | C3' | C4' | C5' | 42.3° | 24.2° |
| H3' | C3' | C4' | O4' | 80.7° | 94.7° |
| H3' | C3' | C4' | H4' | 163.5° | 146.5° |
| C5' | C4' | O4' | H4' | 118.6° | 122.2° |
| C4' | C5' | H5' | H5'' | 118.9° | 120.0° |
| O4' | C4' | C5' | H5' | 55.9° | 178.5° |
| O4' | C4' | C5' | H5'' | 174.2° | 58.5° |
| H4' | C4' | C5' | H5' | 62.3° | 59.2° |
| H4' | C4' | C5' | H5'' | 56.0° | 179.2° |
| C6 | N6 | H61 | H62 | 178.3° | 179.8° |
| N6 | C6 | C5 | N1 | 179.5° | 179.8° |
| N6 | C6 | C5 | N7 | 0.3° | 0.1° |
| N6 | C6 | C5 | C4 | 179.8° | 180.0° |
| N6 | C6 | N1 | C2 | 178.2° | 179.7° |
| N6 | C6 | N1 | H1 | 0.3° | 0.3° |
| H61 | N6 | C6 | C5 | 1.4° | 179.9° |
| H61 | N6 | C6 | N1 | 178.1° | 0.3° |
| H62 | N6 | C6 | C5 | 176.8° | 0.3° |
| H62 | N6 | C6 | N1 | 3.7° | 179.5° |
| O2 | C2 | N1 | C6 | 177.3° | 179.7° |
| O2 | C2 | N3 | C4 | 177.9° | 180.0° |
| O2 | C2 | N3 | N1 | 179.6° | 179.7° |
| O2 | C2 | N1 | H1 | 1.2° | 0.3° |
| C6 | C5 | N7 | C4 | 179.9° | 179.9° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C6 | C5 | C4 | N9 | 178.7° | 179.9° |
| C6 | C5 | C4 | N3 | 0.9° | 0.0° |
| C5 | C6 | N1 | C2 | 1.4° | 0.5° |
| C5 | C6 | N1 | H1 | 179.8° | 180.0° |
| N1 | C6 | C5 | N7 | 179.8° | 179.7° |
| N1 | C6 | C5 | C4 | 0.3° | 0.2° |
| C6 | N1 | C2 | N3 | 2.4° | 0.5° |
| C6 | N1 | C2 | H1 | 178.5° | 179.5° |
| C5 | N7 | C8 | N9 | 1.2° | 0.1° |
| C5 | N7 | C8 | H8 | 179.2° | 180.0° |
| N7 | C5 | C4 | N9 | 1.3° | 0.0° |
| N7 | C5 | C4 | N3 | 179.1° | 179.9° |
| C4 | C5 | N7 | C8 | 0.1° | 0.1° |
| C5 | C4 | N9 | C8 | 1.9° | 0.1° |
| C5 | C4 | N9 | N3 | 179.6° | 179.9° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| N7 | C8 | N9 | H8 | 178.0° | 179.9° |
| N7 | C8 | N9 | C4 | 2.1° | 0.1° |
| C8 | N9 | C4 | N3 | 178.5° | 180.0° |
| H8 | C8 | N9 | C4 | 180.0° | 180.0° |
| N9 | C4 | N3 | C2 | 179.6° | 180.0° |
| C4 | N3 | C2 | N1 | 1.7° | 0.3° |
| N3 | C2 | N1 | H1 | 179.2° | 180.0° |
