CDW
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 | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| P | OP3 | sing | 1.61Å | 1.57Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C1' | N1 | sing | 1.47Å | 1.44Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.46Å | 1.42Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.34Å | 1.42Å | |
| N3 | C4 | sing | 1.39Å | 1.32Å | |
| N3 | C6 | sing | 1.46Å | 1.50Å | |
| C4 | C5 | doub | 1.31Å | 1.41Å | |
| 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 | |
| C1' | H1' | 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 | |
| C6 | C5 | sing | 1.50Å | 1.44Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.08Å | 1.08Å | |
| C5 | H51C | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 121.4° | 109.5° |
| OP1 | P | O5' | 105.0° | 109.5° |
| OP1 | P | OP3 | 108.5° | 109.4° |
| OP2 | P | O5' | 110.1° | 109.5° |
| OP2 | P | OP3 | 106.3° | 109.5° |
| P | OP2 | HP2 | 109.5° | 114.0° |
| O5' | P | OP3 | 104.4° | 109.4° |
| P | O5' | C5' | 121.8° | 123.0° |
| P | OP3 | HP3 | 109.5° | 114.0° |
| O5' | C5' | C4' | 109.6° | 109.5° |
| O5' | C5' | H51 | 109.4° | 109.4° |
| O5' | C5' | H52 | 109.4° | 109.4° |
| C5' | C4' | O4' | 112.0° | 110.6° |
| C5' | C4' | C3' | 113.1° | 110.6° |
| C4' | C5' | H51 | 109.4° | 109.5° |
| C4' | C5' | H52 | 109.4° | 109.5° |
| C5' | C4' | H4' | 104.1° | 110.6° |
| O4' | C4' | C3' | 105.9° | 103.5° |
| C4' | O4' | C1' | 109.5° | 107.0° |
| O4' | C4' | H4' | 111.5° | 110.6° |
| C4' | C3' | O3' | 111.3° | 110.9° |
| C4' | C3' | C2' | 106.3° | 102.1° |
| C3' | C4' | H4' | 110.4° | 110.8° |
| C4' | C3' | H3' | 109.5° | 110.9° |
| O4' | C1' | C2' | 108.4° | 107.3° |
| O4' | C1' | N1 | 108.7° | 109.9° |
| O4' | C1' | H1' | 109.9° | 109.9° |
| O3' | C3' | C2' | 106.7° | 110.9° |
| O3' | C3' | H3' | 109.1° | 110.8° |
| C3' | O3' | HA | 109.5° | 114.0° |
| C3' | C2' | C1' | 105.3° | 104.2° |
| C2' | C3' | H3' | 113.9° | 110.9° |
| C3' | C2' | H21 | 110.9° | 110.5° |
| C3' | C2' | H22 | 111.8° | 110.5° |
| C2' | C1' | N1 | 107.3° | 109.9° |
| C2' | C1' | H1' | 111.3° | 109.9° |
| C1' | C2' | H21 | 110.9° | 110.5° |
| C1' | C2' | H22 | 111.8° | 110.5° |
| C1' | N1 | C2 | 133.2° | 133.9° |
| C1' | N1 | C6 | 129.6° | 133.9° |
| N1 | C1' | H1' | 111.1° | 110.0° |
| C2 | N1 | C6 | 90.2° | 92.2° |
| N1 | C2 | O2 | 130.4° | 133.8° |
| N1 | C2 | N3 | 94.6° | 92.3° |
| N1 | C6 | N3 | 89.5° | 83.2° |
| N1 | C6 | C5 | 134.0° | 118.7° |
| N1 | C6 | H6 | 103.4° | 118.6° |
| O2 | C2 | N3 | 135.0° | 133.9° |
| C2 | N3 | C4 | 134.5° | 120.5° |
| C2 | N3 | C6 | 85.7° | 92.3° |
| C4 | N3 | C6 | 92.4° | 92.0° |
| N3 | C4 | C5 | 91.9° | 92.2° |
| N3 | C4 | H41C | 134.0° | 133.9° |
| N3 | C6 | C5 | 84.1° | 82.5° |
| N3 | C6 | H6 | 145.2° | 124.2° |
| C4 | C5 | C6 | 91.6° | 93.3° |
| C5 | C4 | H41C | 134.0° | 133.9° |
| C4 | C5 | H51C | 134.2° | 133.3° |
| H51 | C5' | H52 | 109.6° | 109.5° |
| H21 | C2' | H22 | 106.3° | 110.5° |
| C5 | C6 | H6 | 107.6° | 118.6° |
| C6 | C5 | H51C | 134.2° | 133.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 123.1° | 120.0° |
| OP1 | P | OP2 | OP3 | 124.4° | 120.0° |
| OP1 | P | O5' | OP3 | 114.0° | 119.9° |
| OP1 | P | O5' | C5' | 178.1° | 55.0° |
| OP1 | P | OP2 | HP2 | 155.0° | 180.0° |
| OP1 | P | OP3 | HP3 | 127.5° | 60.1° |
| OP2 | P | O5' | OP3 | 113.8° | 120.0° |
| OP2 | P | O5' | C5' | 45.9° | 65.0° |
| OP2 | P | OP3 | HP3 | 100.4° | 59.9° |
| P | O5' | C5' | C4' | 173.3° | 180.0° |
| O5' | P | OP2 | HP2 | 31.9° | 59.9° |
| O5' | P | OP3 | HP3 | 16.0° | 180.0° |
| P | O5' | C5' | H51 | 66.8° | 60.0° |
| P | O5' | C5' | H52 | 53.3° | 60.0° |
| OP3 | P | O5' | C5' | 67.9° | 175.0° |
| OP3 | P | OP2 | HP2 | 80.6° | 60.1° |
| O5' | C5' | C4' | H51 | 120.0° | 120.0° |
| O5' | C5' | C4' | H52 | 119.9° | 120.0° |
| O5' | C5' | C4' | O4' | 81.8° | 66.5° |
| O5' | C5' | C4' | C3' | 37.7° | 179.5° |
| O5' | C5' | H51 | H52 | 119.9° | 119.9° |
| O5' | C5' | C4' | H4' | 157.5° | 56.4° |
| C5' | C4' | O4' | C3' | 123.7° | 118.5° |
| C5' | C4' | O4' | H4' | 116.2° | 122.8° |
| C5' | C4' | C3' | H4' | 116.2° | 123.0° |
| C5' | C4' | O4' | C1' | 146.1° | 158.6° |
| C5' | C4' | C3' | O3' | 104.6° | 86.3° |
| C5' | C4' | C3' | C2' | 139.6° | 155.5° |
| C4' | C5' | H51 | H52 | 119.9° | 120.0° |
| C5' | C4' | C3' | H3' | 16.1° | 37.3° |
| O4' | C4' | C3' | H4' | 120.9° | 118.6° |
| O4' | C4' | C3' | O3' | 132.4° | 155.3° |
| O4' | C4' | C3' | C2' | 16.6° | 37.1° |
| C4' | O4' | C1' | C2' | 19.4° | 26.5° |
| C4' | O4' | C1' | N1 | 135.7° | 145.9° |
| O4' | C4' | C5' | H51 | 158.2° | 53.5° |
| O4' | C4' | C5' | H52 | 38.1° | 173.5° |
| O4' | C4' | C3' | H3' | 106.9° | 81.2° |
| C4' | O4' | C1' | H1' | 102.5° | 92.9° |
| C3' | C4' | O4' | C1' | 22.4° | 40.1° |
| C4' | C3' | O3' | C2' | 115.6° | 112.7° |
| C4' | C3' | O3' | H3' | 121.0° | 123.6° |
| C4' | C3' | C2' | H3' | 120.7° | 118.3° |
| C4' | C3' | C2' | C1' | 5.3° | 20.9° |
| C3' | C4' | C5' | H51 | 82.3° | 60.5° |
| C3' | C4' | C5' | H52 | 157.6° | 59.5° |
| C4' | C3' | O3' | HA | 127.5° | 180.0° |
| C4' | C3' | C2' | H21 | 125.3° | 139.5° |
| C4' | C3' | C2' | H22 | 116.2° | 97.8° |
| O4' | C1' | C2' | C3' | 8.1° | 2.0° |
| O4' | C1' | C2' | N1 | 117.3° | 119.4° |
| O4' | C1' | C2' | H1' | 121.0° | 119.4° |
| O4' | C1' | N1 | H1' | 121.1° | 121.1° |
| O4' | C1' | N1 | C2 | 59.9° | 53.5° |
| O4' | C1' | N1 | C6 | 81.6° | 126.8° |
| C1' | O4' | C4' | H4' | 97.7° | 78.6° |
| O4' | C1' | C2' | H21 | 111.9° | 116.6° |
| O4' | C1' | C2' | H22 | 129.7° | 120.8° |
| O3' | C3' | C2' | H3' | 120.4° | 123.5° |
| O3' | C3' | C2' | C1' | 124.3° | 139.1° |
| O3' | C3' | C4' | H4' | 11.6° | 36.7° |
| O3' | C3' | C2' | H21 | 115.7° | 102.3° |
| O3' | C3' | C2' | H22 | 2.7° | 20.5° |
| C3' | C2' | C1' | H21 | 120.0° | 118.7° |
| C3' | C2' | C1' | H22 | 121.6° | 118.7° |
| C3' | C2' | C1' | N1 | 125.4° | 121.4° |
| C2' | C3' | C4' | H4' | 104.3° | 81.5° |
| C3' | C2' | C1' | H1' | 112.9° | 117.4° |
| C2' | C3' | O3' | HA | 116.9° | 67.2° |
| C3' | C2' | H21 | H22 | 121.7° | 122.7° |
| C2' | C1' | N1 | H1' | 121.8° | 121.1° |
| C2' | C1' | N1 | C2 | 177.0° | 64.3° |
| C2' | C1' | N1 | C6 | 35.5° | 115.4° |
| C1' | C2' | C3' | H3' | 115.3° | 97.4° |
| C1' | C2' | H21 | H22 | 121.7° | 122.6° |
| C1' | N1 | C2 | C6 | 151.4° | 179.8° |
| C1' | N1 | C2 | O2 | 29.2° | 0.7° |
| C1' | N1 | C2 | N3 | 151.8° | 179.3° |
| C1' | N1 | C6 | N3 | 153.5° | 179.3° |
| N1 | C1' | C2' | H21 | 5.4° | 2.8° |
| N1 | C1' | C2' | H22 | 113.0° | 119.9° |
| C1' | N1 | C6 | C5 | 72.2° | 101.7° |
| C1' | N1 | C6 | H6 | 59.2° | 55.3° |
| N1 | C2 | O2 | N3 | 178.6° | 179.9° |
| N1 | C2 | N3 | C4 | 89.5° | 93.1° |
| C2 | N1 | C6 | N3 | 0.4° | 0.5° |
| C2 | N1 | C1' | H1' | 61.1° | 174.6° |
| C2 | N1 | C6 | C5 | 80.9° | 78.1° |
| C2 | N1 | C6 | H6 | 147.8° | 124.9° |
| C6 | N1 | C2 | O2 | 179.4° | 179.6° |
| N1 | C6 | N3 | C4 | 134.8° | 120.2° |
| N1 | C6 | N3 | C5 | 134.4° | 120.2° |
| N1 | C6 | N3 | H6 | 113.1° | 120.1° |
| N1 | C6 | C5 | C4 | 84.0° | 78.0° |
| C6 | N1 | C1' | H1' | 157.3° | 5.7° |
| N1 | C6 | C5 | H6 | 130.0° | 157.0° |
| N1 | C6 | C5 | H51C | 96.0° | 101.9° |
| O2 | C2 | N3 | C4 | 91.6° | 86.8° |
| O2 | C2 | N3 | C6 | 179.3° | 179.6° |
| C2 | N3 | C4 | C6 | 86.3° | 93.8° |
| C2 | N3 | C4 | C5 | 85.8° | 93.8° |
| C2 | N3 | C6 | C5 | 134.0° | 120.7° |
| C2 | N3 | C6 | H6 | 113.6° | 119.6° |
| C2 | N3 | C4 | H41C | 94.2° | 86.1° |
| N3 | C4 | C5 | H41C | 180.0° | 179.9° |
| C4 | N3 | C6 | C5 | 0.5° | 0.0° |
| C4 | N3 | C6 | H6 | 112.0° | 119.7° |
| N3 | C4 | C5 | H51C | 179.5° | 179.9° |
| N3 | C6 | C5 | H6 | 146.4° | 125.0° |
| C6 | N3 | C4 | H41C | 179.5° | 179.9° |
| N3 | C6 | C5 | H51C | 179.6° | 179.9° |
| C4 | C5 | C6 | H51C | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 146.0° | 125.0° |
| H51 | C5' | C4' | H4' | 37.6° | 176.4° |
| H52 | C5' | C4' | H4' | 82.5° | 63.6° |
| H4' | C4' | C3' | H3' | 132.3° | 160.2° |
| H3' | C3' | O3' | HA | 6.5° | 56.4° |
| H3' | C3' | C2' | H21 | 4.7° | 21.3° |
| H3' | C3' | C2' | H22 | 123.1° | 144.0° |
| H1' | C1' | C2' | H21 | 127.1° | 123.9° |
| H1' | C1' | C2' | H22 | 8.7° | 1.3° |
| C6 | C5 | C4 | H41C | 179.5° | 179.9° |
| H6 | C6 | C5 | H51C | 34.0° | 55.1° |
| H41C | C4 | C5 | H51C | 0.5° | 0.1° |
