DX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.34Å | |
| N1 | C2 | sing | 1.35Å | 1.37Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| O6 | C6 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.34Å | 1.32Å | |
| C6 | N5 | sing | 1.35Å | 1.41Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | |
| N5 | C4 | sing | 1.37Å | 1.38Å | |
| N5 | C7 | sing | 1.39Å | 1.39Å | |
| C4 | N9 | sing | 1.36Å | 1.38Å | |
| C7 | C8 | doub | 1.33Å | 1.30Å | |
| N9 | C8 | sing | 1.38Å | 1.38Å | |
| N9 | C1' | sing | 1.46Å | 1.45Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| C2' | C3' | sing | 1.54Å | 1.51Å | |
| C1' | O4' | sing | 1.45Å | 1.43Å | |
| O5' | P | sing | 1.61Å | 1.62Å | |
| O5' | C5' | sing | 1.43Å | 1.46Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| OP2 | H14 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.59Å | |
| OP3 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N1 | 115.8° | 119.8° |
| O2 | C2 | N3 | 120.4° | 119.8° |
| C2 | N1 | C6 | 125.1° | 119.9° |
| N1 | C2 | N3 | 123.7° | 120.4° |
| C2 | N1 | H13 | 117.5° | 120.1° |
| N1 | C6 | O6 | 120.7° | 120.3° |
| N1 | C6 | N5 | 111.7° | 119.5° |
| C6 | N1 | H13 | 117.4° | 120.0° |
| O6 | C6 | N5 | 127.6° | 120.2° |
| C2 | N3 | C4 | 112.4° | 120.4° |
| C6 | N5 | C4 | 119.2° | 119.6° |
| C6 | N5 | C7 | 129.1° | 132.5° |
| N3 | C4 | N5 | 127.8° | 120.1° |
| N3 | C4 | N9 | 127.6° | 132.4° |
| C4 | N5 | C7 | 111.7° | 107.8° |
| N5 | C4 | N9 | 104.5° | 107.6° |
| N5 | C7 | C8 | 103.7° | 108.2° |
| N5 | C7 | H10 | 128.2° | 125.9° |
| C4 | N9 | C8 | 106.3° | 108.0° |
| C4 | N9 | C1' | 130.5° | 126.0° |
| C7 | C8 | N9 | 113.7° | 108.4° |
| C8 | C7 | H10 | 128.1° | 125.9° |
| C7 | C8 | H11 | 123.1° | 125.8° |
| C8 | N9 | C1' | 123.2° | 126.0° |
| N9 | C8 | H11 | 123.1° | 125.8° |
| N9 | C1' | C2' | 113.2° | 110.4° |
| N9 | C1' | O4' | 104.1° | 110.4° |
| N9 | C1' | H9 | 111.1° | 110.4° |
| C1' | C2' | C3' | 106.1° | 104.1° |
| C2' | C1' | O4' | 106.7° | 104.8° |
| C1' | C2' | H7 | 110.3° | 110.5° |
| C1' | C2' | H8 | 110.3° | 110.5° |
| C2' | C1' | H9 | 110.2° | 110.4° |
| C2' | C3' | O3' | 101.6° | 110.5° |
| C2' | C3' | C4' | 105.1° | 104.1° |
| C2' | C3' | H5 | 111.1° | 110.6° |
| C3' | C2' | H7 | 110.3° | 110.5° |
| C3' | C2' | H8 | 110.3° | 110.6° |
| C1' | O4' | C4' | 112.3° | 105.2° |
| O4' | C1' | H9 | 111.4° | 110.3° |
| P | O5' | C5' | 124.3° | 123.0° |
| O5' | P | OP1 | 109.8° | 109.5° |
| O5' | P | OP2 | 110.6° | 109.5° |
| O5' | P | OP3 | 103.7° | 109.5° |
| O5' | C5' | C4' | 114.9° | 109.5° |
| O5' | C5' | H2 | 108.1° | 109.5° |
| O5' | C5' | H3 | 108.1° | 109.5° |
| OP1 | P | OP2 | 117.8° | 109.5° |
| OP1 | P | OP3 | 106.4° | 109.5° |
| P | OP2 | H14 | 109.5° | 114.0° |
| OP2 | P | OP3 | 107.5° | 109.5° |
| O3' | C3' | C4' | 115.4° | 110.5° |
| O3' | C3' | H5 | 112.3° | 110.4° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.2° | 104.9° |
| C3' | C4' | C5' | 118.6° | 110.4° |
| C3' | C4' | H4 | 106.6° | 110.4° |
| C4' | C3' | H5 | 110.7° | 110.5° |
| O4' | C4' | C5' | 111.7° | 110.4° |
| O4' | C4' | H4 | 107.6° | 110.4° |
| C4' | C5' | H2 | 108.1° | 109.5° |
| C4' | C5' | H3 | 108.1° | 109.5° |
| C5' | C4' | H4 | 106.7° | 110.3° |
| H2 | C5' | H3 | 109.5° | 109.4° |
| H7 | C2' | H8 | 109.5° | 110.5° |
| P | OP3 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N1 | N3 | 179.8° | 179.8° |
| O2 | C2 | N1 | C6 | 179.9° | 180.0° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2 | C2 | N1 | H13 | 0.1° | 0.2° |
| C2 | N1 | C6 | H13 | 180.0° | 179.9° |
| C2 | N1 | C6 | O6 | 179.9° | 180.0° |
| C2 | N1 | C6 | N5 | 0.0° | 0.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| N1 | C6 | O6 | N5 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.1° |
| N1 | C6 | N5 | C4 | 0.1° | 0.0° |
| N1 | C6 | N5 | C7 | 180.0° | 180.0° |
| O6 | C6 | N5 | C4 | 179.9° | 180.0° |
| O6 | C6 | N5 | C7 | 0.1° | 0.0° |
| O6 | C6 | N1 | H13 | 0.1° | 0.1° |
| C2 | N3 | C4 | N5 | 0.2° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 179.9° |
| N3 | C2 | N1 | H13 | 179.9° | 180.0° |
| C6 | N5 | C4 | N3 | 0.1° | 0.0° |
| C6 | N5 | C4 | C7 | 180.0° | 180.0° |
| C6 | N5 | C4 | N9 | 179.9° | 180.0° |
| C6 | N5 | C7 | C8 | 179.9° | 180.0° |
| C6 | N5 | C7 | H10 | 0.1° | 0.0° |
| N5 | C6 | N1 | H13 | 180.0° | 179.9° |
| N3 | C4 | N5 | N9 | 179.9° | 180.0° |
| N3 | C4 | N5 | C7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 180.0° | 180.0° |
| N3 | C4 | N9 | C1' | 0.2° | 0.3° |
| C4 | N5 | C7 | C8 | 0.1° | 0.0° |
| N5 | C4 | N9 | C8 | 0.0° | 0.0° |
| N5 | C4 | N9 | C1' | 179.8° | 179.7° |
| C4 | N5 | C7 | H10 | 179.9° | 180.0° |
| C7 | N5 | C4 | N9 | 0.0° | 0.0° |
| N5 | C7 | C8 | H10 | 180.0° | 179.9° |
| N5 | C7 | C8 | N9 | 0.1° | 0.1° |
| N5 | C7 | C8 | H11 | 179.9° | 179.7° |
| C4 | N9 | C8 | C7 | 0.1° | 0.1° |
| C4 | N9 | C8 | C1' | 179.8° | 179.7° |
| C4 | N9 | C1' | C2' | 34.8° | 115.3° |
| C4 | N9 | C1' | O4' | 150.2° | 129.2° |
| C4 | N9 | C1' | H9 | 89.7° | 7.0° |
| C4 | N9 | C8 | H11 | 179.9° | 179.7° |
| C7 | C8 | N9 | H11 | 180.0° | 179.8° |
| C7 | C8 | N9 | C1' | 179.9° | 179.8° |
| C8 | N9 | C1' | C2' | 144.9° | 65.0° |
| C8 | N9 | C1' | O4' | 29.5° | 50.4° |
| C8 | N9 | C1' | H9 | 90.5° | 172.6° |
| N9 | C8 | C7 | H10 | 179.9° | 180.0° |
| N9 | C1' | C2' | O4' | 113.9° | 118.9° |
| N9 | C1' | C2' | H9 | 125.0° | 122.4° |
| N9 | C1' | C2' | C3' | 127.8° | 142.8° |
| N9 | C1' | O4' | H9 | 119.8° | 122.3° |
| N9 | C1' | O4' | C4' | 121.0° | 159.2° |
| N9 | C1' | C2' | H7 | 112.7° | 24.2° |
| N9 | C1' | C2' | H8 | 8.3° | 98.4° |
| C1' | N9 | C8 | H11 | 0.1° | 0.0° |
| C1' | C2' | C3' | H7 | 119.5° | 118.6° |
| C1' | C2' | C3' | H8 | 119.5° | 118.7° |
| C2' | C1' | O4' | H9 | 120.3° | 118.8° |
| C1' | C2' | C3' | O3' | 99.8° | 118.7° |
| C1' | C2' | C3' | C4' | 20.8° | 0.0° |
| C2' | C1' | O4' | C4' | 1.0° | 40.3° |
| C1' | C2' | C3' | H5 | 140.6° | 118.7° |
| C1' | C2' | H7 | H8 | 121.5° | 122.6° |
| C3' | C2' | C1' | O4' | 13.9° | 23.9° |
| C2' | C3' | O3' | C4' | 113.1° | 114.7° |
| C2' | C3' | O3' | H5 | 118.7° | 122.7° |
| C2' | C3' | C4' | H5 | 120.0° | 118.8° |
| C2' | C3' | C4' | O4' | 20.1° | 23.9° |
| C2' | C3' | C4' | C5' | 105.7° | 142.8° |
| C2' | C3' | C4' | H4 | 134.1° | 95.0° |
| C2' | C3' | O3' | H6 | 180.0° | 65.4° |
| C3' | C2' | H7 | H8 | 121.6° | 122.8° |
| C3' | C2' | C1' | H9 | 107.1° | 94.9° |
| C1' | O4' | C4' | C3' | 12.1° | 40.4° |
| C1' | O4' | C4' | C5' | 117.9° | 159.3° |
| C1' | O4' | C4' | H4 | 125.4° | 78.5° |
| O4' | C1' | C2' | H7 | 133.4° | 94.7° |
| O4' | C1' | C2' | H8 | 105.6° | 142.7° |
| O5' | P | OP1 | OP2 | 127.7° | 120.0° |
| O5' | P | OP1 | OP3 | 111.7° | 120.0° |
| O5' | P | OP2 | OP3 | 112.6° | 120.0° |
| P | O5' | C5' | C4' | 133.5° | 180.0° |
| P | O5' | C5' | H2 | 12.7° | 60.0° |
| P | O5' | C5' | H3 | 105.7° | 60.0° |
| O5' | P | OP2 | H14 | 127.3° | 60.0° |
| O5' | P | OP3 | H1 | 115.8° | 180.0° |
| C5' | O5' | P | OP1 | 72.2° | 55.0° |
| C5' | O5' | P | OP2 | 59.4° | 65.0° |
| O5' | C5' | C4' | C3' | 39.2° | 176.5° |
| O5' | C5' | C4' | O4' | 83.4° | 67.9° |
| O5' | C5' | C4' | H2 | 120.8° | 120.0° |
| O5' | C5' | C4' | H3 | 120.8° | 120.0° |
| O5' | C5' | H2 | H3 | 117.5° | 120.0° |
| O5' | C5' | C4' | H4 | 159.3° | 54.3° |
| C5' | O5' | P | OP3 | 174.4° | 175.0° |
| OP1 | P | OP2 | OP3 | 120.1° | 120.0° |
| OP1 | P | OP2 | H14 | 0.0° | 180.0° |
| OP1 | P | OP3 | H1 | 0.0° | 60.0° |
| OP2 | P | OP3 | H1 | 127.0° | 60.0° |
| O3' | C3' | C4' | H5 | 129.0° | 122.6° |
| O3' | C3' | C4' | O4' | 90.9° | 142.6° |
| O3' | C3' | C4' | C5' | 143.3° | 98.5° |
| O3' | C3' | C4' | H4 | 23.1° | 23.7° |
| O3' | C3' | C2' | H7 | 19.7° | 122.8° |
| O3' | C3' | C2' | H8 | 140.8° | 0.0° |
| C3' | C4' | O4' | C5' | 130.0° | 118.9° |
| C3' | C4' | O4' | H4 | 113.3° | 118.9° |
| C3' | C4' | C5' | H4 | 120.1° | 122.2° |
| C3' | C4' | C5' | H2 | 81.6° | 63.5° |
| C3' | C4' | C5' | H3 | 160.0° | 56.5° |
| C4' | C3' | O3' | H6 | 66.9° | 180.0° |
| C4' | C3' | C2' | H7 | 140.3° | 118.6° |
| C4' | C3' | C2' | H8 | 98.6° | 118.7° |
| O4' | C4' | C5' | H4 | 117.3° | 122.3° |
| O4' | C4' | C5' | H2 | 155.8° | 52.1° |
| O4' | C4' | C5' | H3 | 37.4° | 172.0° |
| O4' | C4' | C3' | H5 | 140.1° | 94.9° |
| C4' | O4' | C1' | H9 | 119.3° | 78.5° |
| C4' | C5' | H2 | H3 | 117.5° | 120.0° |
| C5' | C4' | C3' | H5 | 14.3° | 24.0° |
| H2 | C5' | C4' | H4 | 38.5° | 174.3° |
| H3 | C5' | C4' | H4 | 79.9° | 65.7° |
| H4 | C4' | C3' | H5 | 105.9° | 146.2° |
| H5 | C3' | O3' | H6 | 61.3° | 57.4° |
| H5 | C3' | C2' | H7 | 99.9° | 0.1° |
| H5 | C3' | C2' | H8 | 21.1° | 122.6° |
| H7 | C2' | C1' | H9 | 12.3° | 146.6° |
| H8 | C2' | C1' | H9 | 133.4° | 23.9° |
| H10 | C7 | C8 | H11 | 0.1° | 0.2° |
| H14 | OP2 | P | OP3 | 120.1° | 60.0° |
