C46
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.61Å | 1.50Å | |
| P | O2P | doub | 1.48Å | 1.49Å | |
| P | O3P | sing | 1.61Å | 1.60Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.47Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.41Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.54Å | 1.45Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.51Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C1' | N1 | sing | 1.47Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.26Å | |
| C2 | N3 | sing | 1.33Å | 1.36Å | |
| N3 | C4 | doub | 1.32Å | 1.35Å | |
| C4 | N4 | sing | 1.38Å | 1.38Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| N4 | O4 | sing | 1.42Å | 1.35Å | |
| N4 | H4 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | doub | 1.35Å | 1.31Å | |
| C5 | CM5 | sing | 1.51Å | 1.55Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| CM5 | C7 | sing | 1.53Å | 1.48Å | |
| CM5 | HM51 | sing | 1.09Å | 1.11Å | |
| CM5 | HM52 | sing | 1.09Å | 1.12Å | |
| O4 | C7 | sing | 1.43Å | 1.41Å | |
| C7 | H7C1 | sing | 1.09Å | 1.12Å | |
| C7 | H7C2 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 116.5° | 109.4° |
| O1P | P | O3P | 108.7° | 109.5° |
| O1P | P | O5' | 106.0° | 109.5° |
| P | O1P | H1P | 116.5° | 106.8° |
| O2P | P | O3P | 110.0° | 109.5° |
| O2P | P | O5' | 109.9° | 109.5° |
| O3P | P | O5' | 105.1° | 109.5° |
| P | O3P | H3P | 108.7° | 106.8° |
| P | O5' | C5' | 129.3° | 106.8° |
| O5' | C5' | C4' | 111.8° | 109.5° |
| O5' | C5' | H5'1 | 111.3° | 109.5° |
| O5' | C5' | H5'2 | 111.3° | 109.5° |
| C4' | C5' | H5'1 | 111.3° | 109.5° |
| C4' | C5' | H5'2 | 111.3° | 109.4° |
| C5' | C4' | O4' | 110.4° | 110.4° |
| C5' | C4' | C3' | 114.5° | 110.7° |
| C5' | C4' | H4' | 109.8° | 110.3° |
| H5'1 | C5' | H5'2 | 99.0° | 109.4° |
| O4' | C4' | C3' | 102.2° | 104.7° |
| O4' | C4' | H4' | 109.8° | 110.4° |
| C4' | O4' | C1' | 113.1° | 105.3° |
| C3' | C4' | H4' | 109.8° | 110.3° |
| C4' | C3' | O3' | 107.0° | 110.5° |
| C4' | C3' | C2' | 105.0° | 104.2° |
| C4' | C3' | H3' | 111.1° | 110.4° |
| O4' | C1' | C2' | 101.5° | 104.8° |
| O4' | C1' | N1 | 106.9° | 110.4° |
| O4' | C1' | H1' | 111.3° | 110.4° |
| O3' | C3' | C2' | 111.3° | 110.6° |
| O3' | C3' | H3' | 111.1° | 110.5° |
| C3' | O3' | HA | 107.1° | 106.8° |
| C2' | C3' | H3' | 111.1° | 110.5° |
| C3' | C2' | C1' | 102.4° | 104.1° |
| C3' | C2' | H2'1 | 114.9° | 110.5° |
| C3' | C2' | H2'2 | 114.9° | 110.5° |
| C1' | C2' | H2'1 | 114.9° | 110.5° |
| C1' | C2' | H2'2 | 114.9° | 110.5° |
| C2' | C1' | N1 | 113.9° | 110.4° |
| C2' | C1' | H1' | 111.3° | 110.4° |
| H2'1 | C2' | H2'2 | 95.6° | 110.6° |
| N1 | C1' | H1' | 111.4° | 110.3° |
| C1' | N1 | C2 | 119.9° | 119.8° |
| C1' | N1 | C6 | 113.6° | 119.8° |
| C2 | N1 | C6 | 126.6° | 120.4° |
| N1 | C2 | O2 | 114.9° | 119.5° |
| N1 | C2 | N3 | 117.5° | 121.2° |
| N1 | C6 | C5 | 115.4° | 118.9° |
| N1 | C6 | H6 | 122.3° | 120.6° |
| O2 | C2 | N3 | 127.6° | 119.4° |
| C2 | N3 | C4 | 117.1° | 120.4° |
| N3 | C4 | N4 | 119.0° | 121.0° |
| N3 | C4 | C5 | 122.9° | 119.7° |
| N4 | C4 | C5 | 118.0° | 119.3° |
| C4 | N4 | O4 | 121.6° | 119.2° |
| C4 | N4 | H4 | 119.2° | 120.4° |
| C4 | C5 | C6 | 120.4° | 119.3° |
| C4 | C5 | CM5 | 120.3° | 119.7° |
| O4 | N4 | H4 | 119.2° | 120.5° |
| N4 | O4 | C7 | 109.2° | 106.8° |
| C6 | C5 | CM5 | 119.0° | 121.0° |
| C5 | C6 | H6 | 122.3° | 120.5° |
| C5 | CM5 | C7 | 98.4° | 109.1° |
| C5 | CM5 | HM51 | 116.5° | 109.5° |
| C5 | CM5 | HM52 | 116.5° | 109.6° |
| C7 | CM5 | HM51 | 116.5° | 109.5° |
| C7 | CM5 | HM52 | 116.5° | 109.5° |
| CM5 | C7 | O4 | 114.0° | 109.5° |
| CM5 | C7 | H7C1 | 110.5° | 109.5° |
| CM5 | C7 | H7C2 | 110.5° | 109.4° |
| HM51 | CM5 | HM52 | 93.9° | 109.6° |
| O4 | C7 | H7C1 | 110.5° | 109.5° |
| O4 | C7 | H7C2 | 110.5° | 109.5° |
| H7C1 | C7 | H7C2 | 99.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 124.2° | 120.0° |
| O1P | P | O2P | O5' | 120.5° | 120.0° |
| O1P | P | O3P | O5' | 113.1° | 120.0° |
| O1P | P | O3P | H3P | 180.0° | 60.0° |
| O1P | P | O5' | C5' | 35.9° | 180.0° |
| O2P | P | O3P | O5' | 118.3° | 120.0° |
| O2P | P | O1P | H1P | 180.0° | 60.0° |
| O2P | P | O3P | H3P | 51.3° | 180.0° |
| O2P | P | O5' | C5' | 90.7° | 60.0° |
| O3P | P | O1P | H1P | 55.1° | 60.0° |
| O3P | P | O5' | C5' | 150.9° | 60.0° |
| O5' | P | O1P | H1P | 57.4° | 180.0° |
| O5' | P | O3P | H3P | 66.9° | 60.0° |
| P | O5' | C5' | C4' | 130.5° | 180.0° |
| P | O5' | C5' | H5'1 | 104.2° | 60.0° |
| P | O5' | C5' | H5'2 | 5.3° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.1° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.2° | 120.0° |
| O5' | C5' | C4' | O4' | 65.7° | 61.4° |
| O5' | C5' | C4' | C3' | 49.0° | 176.9° |
| O5' | C5' | C4' | H4' | 173.0° | 60.8° |
| C4' | C5' | H5'1 | H5'2 | 117.2° | 119.9° |
| C5' | C4' | O4' | C3' | 122.2° | 119.2° |
| C5' | C4' | O4' | H4' | 121.3° | 122.1° |
| C5' | C4' | C3' | H4' | 124.1° | 122.3° |
| C5' | C4' | O4' | C1' | 127.1° | 159.5° |
| C5' | C4' | C3' | O3' | 142.9° | 98.5° |
| C5' | C4' | C3' | C2' | 98.8° | 142.7° |
| C5' | C4' | C3' | H3' | 21.4° | 24.0° |
| H5'1 | C5' | C4' | O4' | 59.6° | 178.5° |
| H5'1 | C5' | C4' | C3' | 174.3° | 63.0° |
| H5'1 | C5' | C4' | H4' | 61.7° | 59.3° |
| H5'2 | C5' | C4' | O4' | 169.0° | 58.6° |
| H5'2 | C5' | C4' | C3' | 76.3° | 56.9° |
| H5'2 | C5' | C4' | H4' | 47.8° | 179.2° |
| O4' | C4' | C3' | H4' | 116.5° | 118.7° |
| O4' | C4' | C3' | O3' | 97.7° | 142.5° |
| O4' | C4' | C3' | C2' | 20.6° | 23.8° |
| O4' | C4' | C3' | H3' | 140.8° | 95.0° |
| C4' | O4' | C1' | C2' | 27.1° | 40.4° |
| C4' | O4' | C1' | N1 | 146.7° | 159.3° |
| C4' | O4' | C1' | H1' | 91.4° | 78.4° |
| C3' | C4' | O4' | C1' | 4.8° | 40.3° |
| C4' | C3' | O3' | C2' | 114.2° | 114.8° |
| C4' | C3' | O3' | H3' | 121.5° | 122.5° |
| C4' | C3' | C2' | H3' | 120.2° | 118.7° |
| C4' | C3' | O3' | HA | 180.0° | 178.1° |
| C4' | C3' | C2' | C1' | 36.6° | 0.1° |
| C4' | C3' | C2' | H2'1 | 161.8° | 118.5° |
| C4' | C3' | C2' | H2'2 | 88.7° | 118.7° |
| H4' | C4' | O4' | C1' | 111.7° | 78.3° |
| H4' | C4' | C3' | O3' | 18.8° | 23.8° |
| H4' | C4' | C3' | C2' | 137.1° | 94.9° |
| H4' | C4' | C3' | H3' | 102.7° | 146.3° |
| O4' | C1' | C2' | C3' | 38.5° | 24.0° |
| O4' | C1' | C2' | N1 | 114.5° | 118.9° |
| O4' | C1' | C2' | H1' | 118.6° | 118.9° |
| O4' | C1' | C2' | H2'1 | 163.8° | 94.6° |
| O4' | C1' | C2' | H2'2 | 86.7° | 142.6° |
| O4' | C1' | N1 | H1' | 121.8° | 122.3° |
| O4' | C1' | N1 | C2 | 163.0° | 55.2° |
| O4' | C1' | N1 | C6 | 18.2° | 124.6° |
| O3' | C3' | C2' | H3' | 124.4° | 122.6° |
| O3' | C3' | C2' | C1' | 78.9° | 118.6° |
| O3' | C3' | C2' | H2'1 | 46.4° | 122.7° |
| O3' | C3' | C2' | H2'2 | 155.9° | 0.0° |
| C2' | C3' | O3' | HA | 65.8° | 63.3° |
| C3' | C2' | C1' | H2'1 | 125.2° | 118.7° |
| C3' | C2' | C1' | H2'2 | 125.3° | 118.6° |
| C3' | C2' | H2'1 | H2'2 | 120.8° | 122.7° |
| C3' | C2' | C1' | N1 | 153.0° | 143.0° |
| C3' | C2' | C1' | H1' | 80.0° | 94.9° |
| H3' | C3' | O3' | HA | 58.5° | 59.4° |
| H3' | C3' | C2' | C1' | 156.8° | 118.8° |
| H3' | C3' | C2' | H2'1 | 78.0° | 0.1° |
| H3' | C3' | C2' | H2'2 | 31.5° | 122.6° |
| C1' | C2' | H2'1 | H2'2 | 120.8° | 122.7° |
| C2' | C1' | N1 | H1' | 126.9° | 122.2° |
| C2' | C1' | N1 | C2 | 85.7° | 60.3° |
| C2' | C1' | N1 | C6 | 93.1° | 120.0° |
| H2'1 | C2' | C1' | N1 | 81.7° | 24.3° |
| H2'1 | C2' | C1' | H1' | 45.2° | 146.5° |
| H2'2 | C2' | C1' | N1 | 27.8° | 98.4° |
| H2'2 | C2' | C1' | H1' | 154.7° | 23.7° |
| C1' | N1 | C2 | C6 | 178.6° | 179.7° |
| C1' | N1 | C2 | O2 | 1.0° | 0.1° |
| C1' | N1 | C2 | N3 | 179.7° | 179.5° |
| C1' | N1 | C6 | C5 | 179.8° | 179.8° |
| C1' | N1 | C6 | H6 | 0.2° | 0.1° |
| H1' | C1' | N1 | C2 | 41.2° | 177.5° |
| H1' | C1' | N1 | C6 | 140.0° | 2.2° |
| N1 | C2 | O2 | N3 | 179.2° | 179.4° |
| N1 | C2 | N3 | C4 | 0.4° | 0.7° |
| C2 | N1 | C6 | C5 | 1.1° | 0.5° |
| C2 | N1 | C6 | H6 | 178.9° | 179.7° |
| C6 | N1 | C2 | O2 | 179.6° | 179.8° |
| C6 | N1 | C2 | N3 | 1.1° | 0.8° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | CM5 | 174.3° | 179.8° |
| O2 | C2 | N3 | C4 | 179.6° | 179.9° |
| C2 | N3 | C4 | N4 | 179.8° | 179.9° |
| C2 | N3 | C4 | C5 | 0.2° | 0.2° |
| N3 | C4 | N4 | C5 | 179.7° | 179.9° |
| N3 | C4 | N4 | O4 | 179.6° | 163.3° |
| N3 | C4 | N4 | H4 | 0.3° | 16.8° |
| N3 | C4 | C5 | C6 | 0.2° | 0.1° |
| N3 | C4 | C5 | CM5 | 174.8° | 179.7° |
| C4 | N4 | O4 | H4 | 180.0° | 180.0° |
| N4 | C4 | C5 | C6 | 179.8° | 179.8° |
| N4 | C4 | C5 | CM5 | 5.5° | 0.4° |
| C4 | N4 | O4 | C7 | 29.0° | 51.4° |
| C5 | C4 | N4 | O4 | 0.7° | 16.6° |
| C5 | C4 | N4 | H4 | 179.4° | 163.3° |
| C4 | C5 | C6 | CM5 | 174.7° | 179.8° |
| C4 | C5 | C6 | H6 | 179.6° | 179.9° |
| C4 | C5 | CM5 | C7 | 34.4° | 17.3° |
| C4 | C5 | CM5 | HM51 | 159.7° | 102.6° |
| C4 | C5 | CM5 | HM52 | 90.9° | 137.2° |
| N4 | O4 | C7 | CM5 | 68.3° | 68.6° |
| N4 | O4 | C7 | H7C1 | 166.5° | 171.4° |
| N4 | O4 | C7 | H7C2 | 57.0° | 51.3° |
| H4 | N4 | O4 | C7 | 151.0° | 128.6° |
| C6 | C5 | CM5 | C7 | 150.8° | 162.5° |
| C6 | C5 | CM5 | HM51 | 25.6° | 77.6° |
| C6 | C5 | CM5 | HM52 | 83.9° | 42.6° |
| CM5 | C5 | C6 | H6 | 5.7° | 0.3° |
| C5 | CM5 | C7 | HM51 | 125.3° | 119.9° |
| C5 | CM5 | C7 | HM52 | 125.3° | 119.9° |
| C5 | CM5 | HM51 | HM52 | 122.3° | 120.3° |
| C5 | CM5 | C7 | O4 | 66.8° | 52.1° |
| C5 | CM5 | C7 | H7C1 | 168.0° | 172.1° |
| C5 | CM5 | C7 | H7C2 | 58.5° | 67.9° |
| C7 | CM5 | HM51 | HM52 | 122.3° | 120.2° |
| CM5 | C7 | O4 | H7C1 | 125.2° | 120.0° |
| CM5 | C7 | O4 | H7C2 | 125.3° | 120.0° |
| CM5 | C7 | H7C1 | H7C2 | 116.4° | 120.0° |
| HM51 | CM5 | C7 | O4 | 168.0° | 67.8° |
| HM51 | CM5 | C7 | H7C1 | 42.7° | 52.3° |
| HM51 | CM5 | C7 | H7C2 | 66.7° | 172.2° |
| HM52 | CM5 | C7 | O4 | 58.5° | 172.1° |
| HM52 | CM5 | C7 | H7C1 | 66.7° | 67.9° |
| HM52 | CM5 | C7 | H7C2 | 176.2° | 52.1° |
| O4 | C7 | H7C1 | H7C2 | 116.4° | 120.0° |
