02I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O5' | sing | 1.61Å | 1.62Å | |
| P | OP3 | sing | 1.61Å | 1.48Å | |
| N1 | C6 | sing | 1.34Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | N7 | sing | 1.34Å | 1.41Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.32Å | |
| N6 | H2N6 | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | C5' | sing | 1.51Å | 1.53Å | |
| N9 | C4 | sing | 1.35Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | C2' | sing | 1.55Å | 1.51Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | H12' | sing | 1.09Å | 1.10Å | |
| OP2 | P | sing | 1.61Å | 1.48Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.54Å | 1.55Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| O4' | C1' | sing | 1.45Å | 1.42Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| H2 | C2 | sing | 1.08Å | 1.08Å | |
| H1N6 | N6 | sing | 0.97Å | 1.00Å | |
| H1' | C1' | sing | 1.09Å | 1.10Å | |
| H22' | C2' | sing | 1.09Å | 1.10Å | |
| H4' | C4' | sing | 1.09Å | 1.10Å | |
| H5' | C5' | sing | 1.09Å | 1.10Å | |
| P | OP1 | doub | 1.48Å | 1.47Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5' | P | OP3 | 110.1° | 109.5° |
| O5' | P | OP2 | 109.0° | 109.4° |
| P | O5' | C5' | 121.4° | 123.0° |
| O5' | P | OP1 | 151.5° | 109.4° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| OP3 | P | OP2 | 120.0° | 109.5° |
| OP3 | P | OP1 | 41.8° | 109.5° |
| C6 | N1 | C2 | 118.7° | 122.6° |
| N1 | C6 | C5 | 120.8° | 115.6° |
| N1 | C6 | N6 | 113.9° | 122.2° |
| N1 | C2 | N3 | 127.8° | 124.3° |
| N1 | C2 | H2 | 116.1° | 117.8° |
| C2 | N3 | C4 | 111.2° | 117.8° |
| N3 | C2 | H2 | 116.1° | 117.9° |
| N3 | C4 | C5 | 128.7° | 120.0° |
| N3 | C4 | N9 | 125.4° | 134.3° |
| C4 | C5 | C6 | 113.0° | 119.7° |
| C4 | C5 | N7 | 110.6° | 107.5° |
| C5 | C4 | N9 | 105.9° | 105.7° |
| C6 | C5 | N7 | 136.4° | 132.8° |
| C5 | C6 | N6 | 125.4° | 122.2° |
| C5 | N7 | C8 | 102.6° | 109.2° |
| C6 | N6 | H2N6 | 109.5° | 120.0° |
| C6 | N6 | H1N6 | 109.4° | 120.1° |
| H2N6 | N6 | H1N6 | 109.5° | 119.9° |
| N7 | C8 | C5' | 128.9° | 128.4° |
| N7 | C8 | N9 | 114.0° | 109.8° |
| C5' | C8 | N9 | 116.9° | 121.8° |
| C8 | C5' | C4' | 109.7° | 108.1° |
| C8 | C5' | O5' | 114.7° | 109.7° |
| C8 | C5' | H5' | 106.1° | 109.7° |
| C4 | N9 | C8 | 106.8° | 107.8° |
| C4 | N9 | C1' | 128.4° | 130.8° |
| C8 | N9 | C1' | 124.6° | 121.4° |
| N9 | C1' | C2' | 108.4° | 105.7° |
| N9 | C1' | O4' | 106.9° | 105.6° |
| N9 | C1' | H1' | 112.8° | 113.3° |
| C1' | C2' | C3' | 105.0° | 103.7° |
| C1' | C2' | H12' | 110.6° | 110.6° |
| C2' | C1' | O4' | 102.8° | 103.6° |
| C2' | C1' | H1' | 111.9° | 113.4° |
| C1' | C2' | H22' | 110.6° | 110.6° |
| C3' | C2' | H12' | 110.5° | 110.6° |
| C2' | C3' | O3' | 106.1° | 110.4° |
| C2' | C3' | H3' | 110.9° | 110.4° |
| C2' | C3' | C4' | 102.4° | 104.5° |
| C3' | C2' | H22' | 110.5° | 110.5° |
| H12' | C2' | H22' | 109.5° | 110.7° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P | OP1 | 89.0° | 109.5° |
| O3' | C3' | H3' | 112.9° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | C4' | 113.2° | 110.4° |
| H3' | C3' | C4' | 110.8° | 110.5° |
| C3' | C4' | C5' | 115.7° | 110.2° |
| C3' | C4' | O4' | 103.9° | 105.1° |
| C3' | C4' | H4' | 109.8° | 110.6° |
| C5' | C4' | O4' | 106.1° | 108.8° |
| C4' | C5' | O5' | 112.5° | 109.7° |
| C5' | C4' | H4' | 109.7° | 110.5° |
| C4' | C5' | H5' | 105.9° | 109.8° |
| C1' | O4' | C4' | 105.1° | 105.4° |
| O4' | C1' | H1' | 113.5° | 114.2° |
| O4' | C4' | H4' | 111.6° | 111.5° |
| O5' | C5' | H5' | 107.3° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | P | OP3 | OP2 | 127.7° | 120.0° |
| O5' | P | OP3 | OP1 | 175.0° | 120.0° |
| P | O5' | C5' | C8 | 149.6° | 120.0° |
| O5' | P | OP3 | HOP3 | 175.0° | 180.0° |
| O5' | P | OP2 | OP1 | 157.5° | 120.0° |
| O5' | P | OP2 | HOP2 | 157.5° | 60.1° |
| P | O5' | C5' | C4' | 84.1° | 121.3° |
| P | O5' | C5' | H5' | 31.9° | 0.6° |
| OP3 | P | OP2 | OP1 | 29.3° | 120.0° |
| OP3 | P | OP2 | HOP2 | 29.3° | 60.0° |
| OP3 | P | O5' | C5' | 173.6° | 175.0° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| N1 | C6 | C5 | C4 | 1.8° | 0.1° |
| N1 | C6 | C5 | N6 | 179.8° | 179.9° |
| N1 | C6 | C5 | N7 | 179.5° | 179.7° |
| N1 | C6 | N6 | H2N6 | 0.0° | 0.1° |
| C6 | N1 | C2 | H2 | 179.5° | 179.9° |
| N1 | C6 | N6 | H1N6 | 120.0° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.2° | 0.0° |
| C2 | N1 | C6 | C5 | 1.2° | 0.1° |
| C2 | N1 | C6 | N6 | 178.7° | 179.9° |
| C2 | N3 | C4 | C5 | 0.2° | 0.1° |
| C2 | N3 | C4 | N9 | 180.0° | 179.7° |
| N3 | C4 | C5 | N9 | 179.8° | 179.8° |
| N3 | C4 | C5 | C6 | 1.1° | 0.1° |
| N3 | C4 | C5 | N7 | 179.8° | 179.8° |
| N3 | C4 | N9 | C8 | 178.2° | 179.5° |
| N3 | C4 | N9 | C1' | 3.4° | 0.8° |
| C4 | N3 | C2 | H2 | 178.8° | 179.9° |
| C4 | C5 | C6 | N7 | 178.7° | 179.8° |
| C4 | C5 | C6 | N6 | 178.0° | 179.8° |
| C4 | C5 | N7 | C8 | 1.4° | 0.0° |
| C5 | C4 | N9 | C8 | 2.0° | 0.7° |
| C5 | C4 | N9 | C1' | 176.8° | 178.9° |
| C5 | C6 | N6 | H2N6 | 179.8° | 180.0° |
| C6 | C5 | N7 | C8 | 179.9° | 179.8° |
| C6 | C5 | C4 | N9 | 178.6° | 179.7° |
| C5 | C6 | N6 | H1N6 | 59.8° | 0.1° |
| N7 | C5 | C6 | N6 | 0.7° | 0.4° |
| C5 | N7 | C8 | C5' | 176.8° | 179.4° |
| N7 | C5 | C4 | N9 | 0.4° | 0.4° |
| C5 | N7 | C8 | N9 | 2.8° | 0.4° |
| C6 | N6 | H2N6 | H1N6 | 119.9° | 179.9° |
| N7 | C8 | C5' | N9 | 173.8° | 179.9° |
| N7 | C8 | N9 | C4 | 3.2° | 0.7° |
| N7 | C8 | N9 | C1' | 178.2° | 178.9° |
| N7 | C8 | C5' | C4' | 171.4° | 173.5° |
| N7 | C8 | C5' | O5' | 43.6° | 53.8° |
| N7 | C8 | C5' | H5' | 74.7° | 66.8° |
| C5' | C8 | N9 | C4 | 177.9° | 179.2° |
| C5' | C8 | N9 | C1' | 7.0° | 1.2° |
| C8 | C5' | C4' | C3' | 65.1° | 71.3° |
| C8 | C5' | C4' | O5' | 129.0° | 119.7° |
| C8 | C5' | C4' | H5' | 114.1° | 119.6° |
| C8 | C5' | C4' | O4' | 49.4° | 43.5° |
| C8 | C5' | O5' | H5' | 117.7° | 120.6° |
| C8 | C5' | C4' | H4' | 170.0° | 166.2° |
| C4 | N9 | C8 | C1' | 175.0° | 179.7° |
| C4 | N9 | C1' | C2' | 96.6° | 101.4° |
| C4 | N9 | C1' | O4' | 153.3° | 149.1° |
| C4 | N9 | C1' | H1' | 28.0° | 23.3° |
| C8 | N9 | C1' | C2' | 77.4° | 78.1° |
| N9 | C8 | C5' | C4' | 14.8° | 6.6° |
| C8 | N9 | C1' | O4' | 32.8° | 31.3° |
| N9 | C8 | C5' | O5' | 142.5° | 126.3° |
| C8 | N9 | C1' | H1' | 158.1° | 157.1° |
| N9 | C8 | C5' | H5' | 99.1° | 113.1° |
| N9 | C1' | C2' | O4' | 112.9° | 110.9° |
| N9 | C1' | C2' | H1' | 125.0° | 124.7° |
| N9 | C1' | C2' | C3' | 83.2° | 82.8° |
| N9 | C1' | C2' | H12' | 157.5° | 158.6° |
| N9 | C1' | O4' | H1' | 124.9° | 125.2° |
| N9 | C1' | O4' | C4' | 68.1° | 68.5° |
| N9 | C1' | C2' | H22' | 36.1° | 35.6° |
| C1' | C2' | C3' | H12' | 119.3° | 118.5° |
| C1' | C2' | C3' | H22' | 119.3° | 118.5° |
| C1' | C2' | H12' | H22' | 122.1° | 122.9° |
| C1' | C2' | C3' | O3' | 123.0° | 123.5° |
| C1' | C2' | C3' | H3' | 114.1° | 114.2° |
| C1' | C2' | C3' | C4' | 4.2° | 4.7° |
| C2' | C1' | O4' | H1' | 121.1° | 123.9° |
| C2' | C1' | O4' | C4' | 45.9° | 42.4° |
| HOP3 | OP3 | P | OP2 | 47.3° | 60.0° |
| HOP3 | OP3 | P | OP1 | 0.0° | 60.0° |
| C3' | C2' | H12' | H22' | 122.0° | 122.9° |
| C2' | C3' | O3' | H3' | 121.7° | 122.4° |
| C2' | C3' | O3' | C4' | 111.4° | 115.1° |
| C2' | C3' | H3' | C4' | 113.0° | 115.1° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 93.2° | 96.7° |
| C3' | C2' | C1' | O4' | 29.7° | 28.0° |
| C2' | C3' | C4' | O4' | 22.6° | 20.3° |
| C3' | C2' | C1' | H1' | 151.8° | 152.4° |
| C2' | C3' | C4' | H4' | 142.0° | 140.8° |
| H12' | C2' | C3' | O3' | 3.7° | 4.9° |
| H12' | C2' | C3' | H3' | 126.6° | 127.3° |
| H12' | C2' | C3' | C4' | 115.1° | 113.8° |
| H12' | C2' | C1' | O4' | 89.6° | 90.5° |
| H12' | C2' | C1' | H1' | 32.5° | 33.9° |
| OP2 | P | O5' | C5' | 52.9° | 65.0° |
| HOP2 | OP2 | P | OP1 | 0.0° | 180.0° |
| O3' | C3' | H3' | C4' | 128.1° | 122.5° |
| O3' | C3' | C4' | C5' | 153.1° | 144.5° |
| O3' | C3' | C4' | O4' | 91.1° | 98.4° |
| O3' | C3' | C2' | H22' | 117.7° | 118.0° |
| O3' | C3' | C4' | H4' | 28.3° | 22.1° |
| H3' | C3' | O3' | HO3' | 58.3° | 60.9° |
| H3' | C3' | C4' | C5' | 25.1° | 22.0° |
| H3' | C3' | C4' | O4' | 140.9° | 139.1° |
| H3' | C3' | C2' | H22' | 5.3° | 4.3° |
| H3' | C3' | C4' | H4' | 99.7° | 100.4° |
| HO3' | O3' | C3' | C4' | 68.5° | 176.5° |
| C3' | C4' | C5' | O4' | 114.5° | 114.8° |
| C3' | C4' | C5' | H4' | 124.9° | 122.5° |
| C3' | C4' | O4' | C1' | 43.4° | 39.6° |
| C3' | C4' | O4' | H4' | 118.3° | 119.9° |
| C3' | C4' | C5' | O5' | 63.8° | 48.4° |
| C4' | C3' | C2' | H22' | 123.5° | 123.2° |
| C3' | C4' | C5' | H5' | 179.3° | 169.1° |
| C5' | C4' | O4' | C1' | 79.0° | 78.4° |
| C5' | C4' | O4' | H4' | 119.4° | 122.1° |
| C4' | C5' | O5' | H5' | 116.0° | 120.7° |
| O4' | C1' | C2' | H22' | 149.0° | 146.5° |
| C1' | O4' | C4' | H4' | 161.6° | 159.5° |
| O4' | C4' | C5' | O5' | 178.4° | 163.2° |
| C4' | O4' | C1' | H1' | 167.0° | 166.3° |
| O4' | C4' | C5' | H5' | 64.7° | 76.1° |
| O5' | C5' | C4' | H4' | 61.0° | 74.1° |
| C5' | O5' | P | OP1 | 179.4° | 55.0° |
| H1' | C1' | C2' | H22' | 88.9° | 89.1° |
| H4' | C4' | C5' | H5' | 55.9° | 46.6° |
