NDU
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 | 1.49Å | |
| P | OP3 | sing | 1.61Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| O5' | C5' | sing | 1.43Å | 1.40Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.45Å | |
| C1' | N1 | sing | 1.47Å | 1.50Å | |
| N1 | C2 | sing | 1.34Å | 1.45Å | |
| N1 | C6 | sing | 1.46Å | 1.62Å | |
| C2 | O2 | doub | 1.22Å | 1.20Å | |
| C2 | N3 | sing | 1.34Å | 1.41Å | |
| N3 | C4 | sing | 1.35Å | 1.42Å | |
| C4 | O4 | doub | 1.21Å | 1.21Å | |
| C4 | C5 | sing | 1.51Å | 1.59Å | |
| C5 | C6 | sing | 1.53Å | 1.64Å | |
| C5 | N5 | sing | 1.46Å | 1.40Å | |
| N5 | O51 | sing | 1.22Å | 1.25Å | |
| N5 | O52 | doub | 1.22Å | 1.25Å | |
| OP2 | HP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HP3 | sing | 0.97Å | 0.95Å | |
| C5' | H51' | sing | 1.09Å | 1.10Å | |
| C5' | H52' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | H21' | sing | 1.09Å | 1.10Å | |
| C2' | H22' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C6 | H611 | sing | 1.09Å | 1.10Å | |
| C6 | H612 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 112.8° | 109.4° |
| OP1 | P | OP3 | 108.2° | 109.5° |
| OP1 | P | O5' | 112.5° | 109.5° |
| OP2 | P | OP3 | 119.0° | 109.5° |
| OP2 | P | O5' | 98.2° | 109.5° |
| P | OP2 | HP2 | 109.5° | 114.0° |
| OP3 | P | O5' | 105.6° | 109.5° |
| P | OP3 | HP3 | 109.5° | 114.0° |
| P | O5' | C5' | 133.4° | 123.0° |
| O5' | C5' | C4' | 113.2° | 109.4° |
| O5' | C5' | H51' | 108.2° | 109.4° |
| O5' | C5' | H52' | 107.4° | 109.5° |
| C5' | C4' | C3' | 121.4° | 110.4° |
| C5' | C4' | O4' | 111.8° | 110.3° |
| C4' | C5' | H51' | 108.2° | 109.5° |
| C4' | C5' | H52' | 107.4° | 109.5° |
| C5' | C4' | H4' | 97.0° | 110.4° |
| C3' | C4' | O4' | 102.8° | 104.8° |
| C4' | C3' | O3' | 113.5° | 110.5° |
| C4' | C3' | C2' | 104.7° | 104.0° |
| C3' | C4' | H4' | 107.1° | 110.4° |
| C4' | C3' | H3' | 111.0° | 110.5° |
| C4' | O4' | C1' | 111.5° | 105.2° |
| O4' | C4' | H4' | 117.6° | 110.4° |
| O3' | C3' | C2' | 112.1° | 110.5° |
| O3' | C3' | H3' | 103.3° | 110.5° |
| C3' | O3' | HA | 109.5° | 114.0° |
| C3' | C2' | C1' | 101.5° | 104.1° |
| C2' | C3' | H3' | 112.4° | 110.6° |
| C3' | C2' | H21' | 112.2° | 110.5° |
| C3' | C2' | H22' | 113.9° | 110.5° |
| C2' | C1' | O4' | 106.1° | 104.8° |
| C2' | C1' | N1 | 109.8° | 110.4° |
| C1' | C2' | H21' | 112.2° | 110.5° |
| C1' | C2' | H22' | 113.9° | 110.5° |
| C2' | C1' | H1' | 119.1° | 110.4° |
| O4' | C1' | N1 | 124.9° | 110.3° |
| O4' | C1' | H1' | 101.0° | 110.4° |
| C1' | N1 | C2 | 126.0° | 119.6° |
| C1' | N1 | C6 | 105.7° | 119.5° |
| N1 | C1' | H1' | 96.5° | 110.4° |
| C2 | N1 | C6 | 123.6° | 120.9° |
| N1 | C2 | O2 | 123.6° | 119.1° |
| N1 | C2 | N3 | 118.4° | 121.6° |
| N1 | C6 | C5 | 111.7° | 109.3° |
| N1 | C6 | H611 | 108.7° | 109.5° |
| N1 | C6 | H612 | 108.2° | 109.5° |
| O2 | C2 | N3 | 118.0° | 119.2° |
| C2 | N3 | C4 | 127.6° | 121.0° |
| C2 | N3 | H3 | 116.2° | 119.6° |
| N3 | C4 | O4 | 122.5° | 120.1° |
| N3 | C4 | C5 | 117.0° | 119.9° |
| C4 | N3 | H3 | 116.2° | 119.5° |
| O4 | C4 | C5 | 120.6° | 120.0° |
| C4 | C5 | C6 | 116.8° | 109.1° |
| C4 | C5 | N5 | 124.1° | 109.5° |
| C4 | C5 | H5 | 87.2° | 109.5° |
| C6 | C5 | N5 | 117.7° | 109.7° |
| C5 | C6 | H611 | 108.7° | 109.6° |
| C5 | C6 | H612 | 108.2° | 109.4° |
| C6 | C5 | H5 | 112.5° | 109.4° |
| C5 | N5 | O51 | 122.7° | 120.0° |
| C5 | N5 | O52 | 127.0° | 120.0° |
| N5 | C5 | H5 | 83.6° | 109.6° |
| O51 | N5 | O52 | 110.3° | 119.9° |
| H51' | C5' | H52' | 112.4° | 109.5° |
| H21' | C2' | H22' | 103.5° | 110.5° |
| H611 | C6 | H612 | 111.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 128.3° | 120.0° |
| OP1 | P | OP2 | O5' | 118.7° | 120.0° |
| OP1 | P | OP3 | O5' | 120.7° | 120.0° |
| OP1 | P | O5' | C5' | 172.4° | 55.0° |
| OP1 | P | OP2 | HP2 | 98.5° | 60.0° |
| OP1 | P | OP3 | HP3 | 47.8° | 180.0° |
| OP2 | P | OP3 | O5' | 108.9° | 120.0° |
| OP2 | P | O5' | C5' | 68.7° | 175.0° |
| OP2 | P | OP3 | HP3 | 82.7° | 60.0° |
| OP3 | P | O5' | C5' | 54.6° | 65.0° |
| OP3 | P | OP2 | HP2 | 29.9° | 60.0° |
| P | O5' | C5' | C4' | 154.2° | 180.0° |
| O5' | P | OP2 | HP2 | 142.8° | 180.0° |
| O5' | P | OP3 | HP3 | 168.4° | 60.0° |
| P | O5' | C5' | H51' | 85.8° | 60.0° |
| P | O5' | C5' | H52' | 35.9° | 60.0° |
| O5' | C5' | C4' | H51' | 120.0° | 120.0° |
| O5' | C5' | C4' | H52' | 118.4° | 120.0° |
| O5' | C5' | C4' | C3' | 73.9° | 175.0° |
| O5' | C5' | C4' | O4' | 164.6° | 69.6° |
| O5' | C5' | H51' | H52' | 118.5° | 120.0° |
| O5' | C5' | C4' | H4' | 41.1° | 52.7° |
| C5' | C4' | C3' | O4' | 125.8° | 118.8° |
| C5' | C4' | C3' | H4' | 109.7° | 122.3° |
| C5' | C4' | O4' | H4' | 110.9° | 122.3° |
| C5' | C4' | C3' | O3' | 146.4° | 98.6° |
| C5' | C4' | C3' | C2' | 91.0° | 142.8° |
| C5' | C4' | O4' | C1' | 111.7° | 159.3° |
| C4' | C5' | H51' | H52' | 118.4° | 120.0° |
| C5' | C4' | C3' | H3' | 30.5° | 24.0° |
| C3' | C4' | O4' | H4' | 117.3° | 118.9° |
| C4' | C3' | O3' | C2' | 118.4° | 114.6° |
| C4' | C3' | O3' | H3' | 120.3° | 122.6° |
| C4' | C3' | C2' | H3' | 120.6° | 118.7° |
| C4' | C3' | C2' | C1' | 35.5° | 0.0° |
| C3' | C4' | O4' | C1' | 20.2° | 40.5° |
| C3' | C4' | C5' | H51' | 166.1° | 65.0° |
| C3' | C4' | C5' | H52' | 44.5° | 55.0° |
| C4' | C3' | O3' | HA | 135.1° | 180.0° |
| C4' | C3' | C2' | H21' | 84.5° | 118.7° |
| C4' | C3' | C2' | H22' | 158.3° | 118.7° |
| O4' | C4' | C3' | O3' | 87.8° | 142.6° |
| O4' | C4' | C3' | C2' | 34.8° | 24.0° |
| C4' | O4' | C1' | C2' | 2.1° | 40.5° |
| C4' | O4' | C1' | N1 | 131.2° | 159.3° |
| O4' | C4' | C5' | H51' | 44.5° | 50.3° |
| O4' | C4' | C5' | H52' | 77.1° | 170.4° |
| O4' | C4' | C3' | H3' | 156.3° | 94.8° |
| C4' | O4' | C1' | H1' | 122.8° | 78.3° |
| O3' | C3' | C2' | H3' | 115.9° | 122.7° |
| O3' | C3' | C2' | C1' | 88.0° | 118.6° |
| O3' | C3' | C4' | H4' | 36.7° | 23.7° |
| O3' | C3' | C2' | H21' | 152.0° | 122.7° |
| O3' | C3' | C2' | H22' | 34.8° | 0.1° |
| C3' | C2' | C1' | H21' | 120.0° | 118.7° |
| C3' | C2' | C1' | H22' | 122.8° | 118.7° |
| C3' | C2' | C1' | O4' | 23.4° | 24.0° |
| C3' | C2' | C1' | N1 | 160.8° | 142.8° |
| C2' | C3' | C4' | H4' | 159.3° | 94.9° |
| C2' | C3' | O3' | HA | 16.8° | 65.4° |
| C3' | C2' | H21' | H22' | 123.2° | 122.6° |
| C3' | C2' | C1' | H1' | 89.5° | 94.9° |
| C2' | C1' | O4' | N1 | 129.1° | 118.8° |
| C2' | C1' | O4' | H1' | 124.9° | 118.9° |
| C2' | C1' | N1 | H1' | 124.1° | 122.3° |
| C2' | C1' | N1 | C2 | 85.5° | 65.0° |
| C2' | C1' | N1 | C6 | 118.1° | 114.7° |
| C1' | C2' | C3' | H3' | 156.1° | 118.7° |
| C1' | C2' | H21' | H22' | 123.2° | 122.7° |
| O4' | C1' | N1 | H1' | 108.3° | 122.3° |
| O4' | C1' | N1 | C2 | 146.9° | 50.4° |
| O4' | C1' | N1 | C6 | 9.5° | 129.9° |
| C1' | O4' | C4' | H4' | 137.4° | 78.4° |
| O4' | C1' | C2' | H21' | 96.7° | 94.7° |
| O4' | C1' | C2' | H22' | 146.2° | 142.7° |
| C1' | N1 | C2 | C6 | 152.3° | 179.7° |
| C1' | N1 | C2 | O2 | 36.9° | 5.7° |
| C1' | N1 | C2 | N3 | 142.9° | 174.3° |
| C1' | N1 | C6 | C5 | 145.5° | 144.0° |
| N1 | C1' | C2' | H21' | 40.8° | 24.1° |
| N1 | C1' | C2' | H22' | 76.4° | 98.6° |
| C1' | N1 | C6 | H611 | 25.5° | 95.8° |
| C1' | N1 | C6 | H612 | 95.5° | 24.2° |
| N1 | C2 | O2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 15.5° | 12.0° |
| C2 | N1 | C6 | C5 | 11.5° | 36.3° |
| C2 | N1 | C1' | H1' | 38.6° | 172.7° |
| C2 | N1 | C6 | H611 | 131.5° | 83.8° |
| C2 | N1 | C6 | H612 | 107.5° | 156.1° |
| N1 | C2 | N3 | H3 | 164.5° | 168.0° |
| C6 | N1 | C2 | O2 | 170.7° | 174.0° |
| C6 | N1 | C2 | N3 | 9.5° | 6.0° |
| N1 | C6 | C5 | C4 | 17.5° | 47.0° |
| N1 | C6 | C5 | H611 | 120.0° | 120.0° |
| N1 | C6 | C5 | H612 | 119.0° | 119.9° |
| N1 | C6 | C5 | N5 | 175.7° | 72.9° |
| C6 | N1 | C1' | H1' | 117.7° | 7.6° |
| N1 | C6 | H611 | H612 | 119.1° | 120.1° |
| N1 | C6 | C5 | H5 | 81.1° | 166.8° |
| O2 | C2 | N3 | C4 | 164.7° | 168.0° |
| O2 | C2 | N3 | H3 | 15.3° | 12.0° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 157.8° | 175.6° |
| C2 | N3 | C4 | C5 | 22.6° | 4.5° |
| N3 | C4 | O4 | C5 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 22.9° | 34.4° |
| N3 | C4 | C5 | N5 | 171.2° | 85.7° |
| N3 | C4 | C5 | H5 | 90.9° | 154.2° |
| O4 | C4 | C5 | C6 | 157.5° | 145.6° |
| O4 | C4 | C5 | N5 | 8.4° | 94.3° |
| O4 | C4 | N3 | H3 | 22.2° | 4.4° |
| O4 | C4 | C5 | H5 | 88.7° | 25.9° |
| C4 | C5 | C6 | N5 | 166.8° | 120.0° |
| C4 | C5 | C6 | H5 | 98.6° | 119.8° |
| C4 | C5 | N5 | H5 | 82.2° | 120.1° |
| C4 | C5 | N5 | O51 | 13.0° | 120.0° |
| C4 | C5 | N5 | O52 | 166.8° | 60.1° |
| C4 | C5 | C6 | H611 | 137.5° | 73.0° |
| C4 | C5 | C6 | H612 | 101.5° | 166.9° |
| C5 | C4 | N3 | H3 | 157.4° | 175.5° |
| C6 | C5 | N5 | H5 | 112.1° | 120.2° |
| C6 | C5 | N5 | O51 | 178.8° | 120.2° |
| C6 | C5 | N5 | O52 | 1.1° | 59.7° |
| C5 | C6 | H611 | H612 | 119.0° | 120.0° |
| C5 | N5 | O51 | O52 | 179.9° | 179.9° |
| N5 | C5 | C6 | H611 | 55.7° | 167.0° |
| N5 | C5 | C6 | H612 | 65.3° | 46.9° |
| O51 | N5 | C5 | H5 | 69.2° | 0.1° |
| O52 | N5 | C5 | H5 | 111.0° | 179.8° |
| H51' | C5' | C4' | H4' | 79.0° | 172.7° |
| H52' | C5' | C4' | H4' | 159.4° | 67.3° |
| H4' | C4' | C3' | H3' | 79.2° | 146.3° |
| H3' | C3' | O3' | HA | 104.5° | 57.3° |
| H3' | C3' | C2' | H21' | 36.1° | 0.0° |
| H3' | C3' | C2' | H22' | 81.1° | 122.6° |
| H21' | C2' | C1' | H1' | 150.5° | 146.4° |
| H22' | C2' | C1' | H1' | 33.3° | 23.8° |
| H611 | C6 | C5 | H5 | 38.9° | 46.8° |
| H612 | C6 | C5 | H5 | 159.9° | 73.3° |
