IGU
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 | 31.51Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| 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 | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.37Å | 1.37Å | |
| N9 | C4 | sing | 1.37Å | 1.38Å | |
| C8 | N7 | doub | 1.30Å | 1.30Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | |
| C6 | N6 | sing | 1.37Å | 1.33Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | |
| C6 | N1 | sing | 1.36Å | 1.39Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| C5 | C4 | sing | 1.41Å | 1.37Å | |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.33Å | 1.36Å | |
| N3 | C4 | doub | 1.33Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 120.1° | 109.5° |
| OP1 | P | OP3 | 57.9° | 109.5° |
| OP1 | P | O5' | 108.3° | 109.5° |
| OP2 | P | OP3 | 130.4° | 109.4° |
| OP2 | P | O5' | 109.1° | 109.4° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP3 | P | O5' | 50.6° | 109.4° |
| P | OP3 | HOP3 | 90.0° | 114.0° |
| P | O5' | C5' | 118.1° | 123.0° |
| O5' | C5' | C4' | 112.5° | 109.5° |
| O5' | C5' | H5' | 108.7° | 109.4° |
| O5' | C5' | H5'' | 108.7° | 109.5° |
| C4' | C5' | H5' | 108.7° | 109.5° |
| C4' | C5' | H5'' | 108.7° | 109.5° |
| C5' | C4' | O4' | 110.8° | 110.6° |
| C5' | C4' | C3' | 110.7° | 110.6° |
| C5' | C4' | H4' | 108.6° | 110.6° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| O4' | C4' | C3' | 108.4° | 103.4° |
| O4' | C4' | H4' | 109.7° | 110.6° |
| C4' | O4' | C1' | 109.2° | 107.0° |
| C3' | C4' | H4' | 108.6° | 110.8° |
| C4' | C3' | O3' | 114.2° | 110.9° |
| C4' | C3' | C2' | 99.6° | 102.1° |
| C4' | C3' | H3' | 108.2° | 110.9° |
| O4' | C1' | C2' | 101.1° | 107.3° |
| O4' | C1' | N9 | 111.6° | 109.9° |
| O4' | C1' | H1' | 110.9° | 109.9° |
| O3' | C3' | C2' | 116.3° | 110.9° |
| O3' | C3' | H3' | 109.5° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.1° |
| C2' | C3' | H3' | 108.5° | 110.9° |
| C3' | C2' | C1' | 105.0° | 104.2° |
| C3' | C2' | H2' | 110.6° | 110.5° |
| C3' | C2' | H2'' | 110.5° | 110.5° |
| C1' | C2' | H2' | 110.6° | 110.5° |
| C1' | C2' | H2'' | 110.6° | 110.5° |
| C2' | C1' | N9 | 113.1° | 109.9° |
| C2' | C1' | H1' | 109.6° | 109.9° |
| H2' | C2' | H2'' | 109.5° | 110.5° |
| N9 | C1' | H1' | 110.2° | 110.0° |
| C1' | N9 | C8 | 129.0° | 126.2° |
| C1' | N9 | C4 | 126.5° | 126.2° |
| C8 | N9 | C4 | 104.5° | 107.6° |
| N9 | C8 | N7 | 114.9° | 110.0° |
| N9 | C8 | H8 | 122.5° | 125.0° |
| N9 | C4 | C5 | 106.1° | 105.9° |
| N9 | C4 | N3 | 127.7° | 134.4° |
| N7 | C8 | H8 | 122.5° | 125.0° |
| C8 | N7 | C5 | 103.2° | 109.4° |
| N7 | C5 | C6 | 132.7° | 134.3° |
| N7 | C5 | C4 | 111.1° | 107.1° |
| N6 | C6 | C5 | 124.3° | 120.8° |
| N6 | C6 | N1 | 118.3° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C5 | C6 | N1 | 117.4° | 118.4° |
| C6 | C5 | C4 | 116.2° | 118.6° |
| C6 | N1 | C2 | 124.6° | 120.4° |
| C6 | N1 | HN1 | 117.7° | 119.7° |
| HN61 | N6 | HN62 | 109.4° | 120.0° |
| C5 | C4 | N3 | 126.2° | 119.7° |
| N1 | C2 | O2 | 120.3° | 119.0° |
| N1 | C2 | N3 | 116.9° | 121.9° |
| C2 | N1 | HN1 | 117.7° | 119.8° |
| O2 | C2 | N3 | 122.7° | 119.1° |
| C2 | N3 | C4 | 118.7° | 120.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 71.8° | 120.0° |
| OP1 | P | OP2 | O5' | 125.8° | 120.1° |
| OP1 | P | OP3 | O5' | 174.2° | 120.1° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 90.0° | 180.0° |
| OP1 | P | O5' | C5' | 168.4° | 54.9° |
| OP2 | P | OP3 | O5' | 81.8° | 119.9° |
| OP2 | P | OP3 | HOP3 | 90.0° | 60.0° |
| OP2 | P | O5' | C5' | 59.3° | 175.0° |
| OP3 | P | OP2 | HOP2 | 71.8° | 60.1° |
| OP3 | P | O5' | C5' | 173.6° | 65.1° |
| O5' | P | OP2 | HOP2 | 125.8° | 180.0° |
| O5' | P | OP3 | HOP3 | 90.0° | 60.0° |
| P | O5' | C5' | C4' | 158.8° | 179.9° |
| P | O5' | C5' | H5' | 80.8° | 60.1° |
| P | O5' | C5' | H5'' | 38.3° | 59.9° |
| O5' | C5' | C4' | H5' | 120.4° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.4° | 120.0° |
| O5' | C5' | H5' | H5'' | 118.6° | 120.0° |
| O5' | C5' | C4' | O4' | 60.0° | 66.5° |
| O5' | C5' | C4' | C3' | 60.3° | 179.5° |
| O5' | C5' | C4' | H4' | 179.4° | 56.4° |
| C4' | C5' | H5' | H5'' | 118.6° | 120.0° |
| C5' | C4' | O4' | C3' | 121.7° | 118.5° |
| C5' | C4' | O4' | H4' | 119.9° | 122.9° |
| C5' | C4' | C3' | H4' | 119.1° | 123.0° |
| C5' | C4' | O4' | C1' | 129.7° | 158.6° |
| C5' | C4' | C3' | O3' | 131.1° | 86.3° |
| C5' | C4' | C3' | C2' | 104.2° | 155.5° |
| C5' | C4' | C3' | H3' | 9.0° | 37.3° |
| H5' | C5' | C4' | O4' | 179.6° | 53.5° |
| H5' | C5' | C4' | C3' | 60.1° | 60.5° |
| H5' | C5' | C4' | H4' | 59.0° | 176.3° |
| H5'' | C5' | C4' | O4' | 60.4° | 173.5° |
| H5'' | C5' | C4' | C3' | 179.2° | 59.5° |
| H5'' | C5' | C4' | H4' | 60.1° | 63.6° |
| O4' | C4' | C3' | H4' | 119.1° | 118.5° |
| O4' | C4' | C3' | O3' | 107.1° | 155.2° |
| O4' | C4' | C3' | C2' | 17.5° | 37.0° |
| O4' | C4' | C3' | H3' | 130.7° | 81.2° |
| C4' | O4' | C1' | C2' | 29.7° | 26.5° |
| C4' | O4' | C1' | N9 | 150.2° | 146.0° |
| C4' | O4' | C1' | H1' | 86.5° | 92.9° |
| C3' | C4' | O4' | C1' | 8.0° | 40.1° |
| C4' | C3' | O3' | C2' | 115.2° | 112.8° |
| C4' | C3' | O3' | H3' | 121.5° | 123.6° |
| C4' | C3' | C2' | H3' | 113.0° | 118.2° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | C1' | 35.4° | 20.9° |
| C4' | C3' | C2' | H2' | 83.8° | 139.5° |
| C4' | C3' | C2' | H2'' | 154.7° | 97.8° |
| H4' | C4' | O4' | C1' | 110.4° | 78.6° |
| H4' | C4' | C3' | O3' | 12.0° | 36.7° |
| H4' | C4' | C3' | C2' | 136.6° | 81.5° |
| H4' | C4' | C3' | H3' | 110.2° | 160.3° |
| O4' | C1' | C2' | C3' | 41.2° | 2.0° |
| O4' | C1' | C2' | N9 | 119.4° | 119.4° |
| O4' | C1' | C2' | H1' | 117.2° | 119.4° |
| O4' | C1' | C2' | H2' | 78.1° | 116.6° |
| O4' | C1' | C2' | H2'' | 160.5° | 120.7° |
| O4' | C1' | N9 | H1' | 123.7° | 121.1° |
| O4' | C1' | N9 | C8 | 83.2° | 53.6° |
| O4' | C1' | N9 | C4 | 96.1° | 126.8° |
| O3' | C3' | C2' | H3' | 123.9° | 123.5° |
| O3' | C3' | C2' | C1' | 87.7° | 139.1° |
| O3' | C3' | C2' | H2' | 153.0° | 102.2° |
| O3' | C3' | C2' | H2'' | 31.6° | 20.5° |
| C2' | C3' | O3' | HO3' | 64.8° | 67.3° |
| C3' | C2' | C1' | H2' | 119.3° | 118.7° |
| C3' | C2' | C1' | H2'' | 119.3° | 118.7° |
| C3' | C2' | H2' | H2'' | 122.0° | 122.6° |
| C3' | C2' | C1' | N9 | 160.6° | 121.5° |
| C3' | C2' | C1' | H1' | 76.0° | 117.4° |
| H3' | C3' | O3' | HO3' | 58.5° | 56.4° |
| H3' | C3' | C2' | C1' | 148.4° | 97.3° |
| H3' | C3' | C2' | H2' | 29.1° | 21.3° |
| H3' | C3' | C2' | H2'' | 92.3° | 144.0° |
| C1' | C2' | H2' | H2'' | 122.1° | 122.6° |
| C2' | C1' | N9 | H1' | 123.1° | 121.1° |
| C2' | C1' | N9 | C8 | 30.0° | 64.3° |
| C2' | C1' | N9 | C4 | 150.7° | 115.4° |
| H2' | C2' | C1' | N9 | 41.4° | 2.8° |
| H2' | C2' | C1' | H1' | 164.8° | 124.0° |
| H2'' | C2' | C1' | N9 | 80.1° | 119.8° |
| H2'' | C2' | C1' | H1' | 43.3° | 1.3° |
| C1' | N9 | C8 | C4 | 179.4° | 179.7° |
| C1' | N9 | C8 | N7 | 176.3° | 180.0° |
| C1' | N9 | C8 | H8 | 3.7° | 0.0° |
| C1' | N9 | C4 | C5 | 177.2° | 179.9° |
| C1' | N9 | C4 | N3 | 2.3° | 0.0° |
| H1' | C1' | N9 | C8 | 153.1° | 174.7° |
| H1' | C1' | N9 | C4 | 27.6° | 5.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 2.5° | 0.0° |
| C8 | N9 | C4 | C5 | 2.2° | 0.4° |
| C8 | N9 | C4 | N3 | 178.2° | 179.7° |
| C4 | N9 | C8 | N7 | 3.1° | 0.3° |
| C4 | N9 | C8 | H8 | 176.9° | 179.7° |
| N9 | C4 | C5 | N7 | 0.9° | 0.4° |
| N9 | C4 | C5 | C6 | 179.4° | 179.8° |
| N9 | C4 | C5 | N3 | 179.5° | 179.9° |
| N9 | C4 | N3 | C2 | 179.2° | 179.1° |
| C8 | N7 | C5 | C6 | 178.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.9° | 0.2° |
| H8 | C8 | N7 | C5 | 177.5° | 180.0° |
| N7 | C5 | C6 | N6 | 0.2° | 0.0° |
| N7 | C5 | C6 | C4 | 179.7° | 179.7° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| N7 | C5 | C4 | N3 | 179.6° | 179.7° |
| N6 | C6 | C5 | N1 | 179.9° | 180.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| N6 | C6 | C5 | C4 | 179.9° | 179.7° |
| N6 | C6 | N1 | C2 | 179.6° | 180.0° |
| N6 | C6 | N1 | HN1 | 0.4° | 0.1° |
| C5 | C6 | N6 | HN61 | 180.0° | 0.0° |
| C5 | C6 | N6 | HN62 | 60.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.5° | 0.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.1° |
| C5 | C6 | N1 | HN1 | 179.5° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 119.9° | 0.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.3° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.7° |
| C5 | C4 | N3 | C2 | 0.3° | 0.8° |
| N1 | C2 | O2 | N3 | 179.9° | 179.3° |
| N1 | C2 | N3 | C4 | 0.0° | 1.1° |
| O2 | C2 | N3 | C4 | 179.9° | 179.6° |
| O2 | C2 | N1 | HN1 | 0.4° | 0.0° |
| N3 | C2 | N1 | HN1 | 179.6° | 179.3° |
