C49
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.50Å | 1.47Å | |
| P | O2P | sing | 1.62Å | 1.47Å | |
| P | O3P | sing | 1.62Å | 1.58Å | |
| P | O5' | sing | 1.62Å | 1.61Å | |
| O2P | H2P | sing | 0.98Å | 0.95Å | |
| O3P | H3P | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.44Å | |
| C5' | C4' | sing | 1.52Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.52Å | 1.50Å | |
| C4' | H4' | sing | 1.10Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.47Å | |
| C3' | O3' | sing | 1.41Å | 1.38Å | |
| C3' | C2' | sing | 1.51Å | 1.50Å | |
| C3' | H3' | sing | 1.10Å | 1.11Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.52Å | 1.49Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.10Å | 1.12Å | |
| C1' | N1 | sing | 1.43Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.42Å | 1.37Å | |
| N1 | C6 | sing | 1.41Å | 1.46Å | |
| C2 | O2 | doub | 1.23Å | 1.23Å | |
| C2 | N3 | sing | 1.39Å | 1.36Å | |
| N3 | C4 | sing | 1.37Å | 1.34Å | |
| N3 | H3 | sing | 1.02Å | 1.02Å | |
| C4 | N4 | doub | 1.29Å | 1.32Å | |
| C4 | C5 | sing | 1.50Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.42Å | |
| C5 | CM5 | sing | 1.54Å | 1.43Å | |
| C5 | F | sing | 1.37Å | 1.33Å | |
| C6 | SG | doub | 1.69Å | 1.78Å | |
| CM5 | HM51 | sing | 1.09Å | 1.11Å | |
| CM5 | HM52 | sing | 1.09Å | 1.12Å | |
| CM5 | HM53 | sing | 1.09Å | 1.12Å | |
| HN1 | N4 | sing | 1.02Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 121.1° | 115.3° |
| O1P | P | O3P | 111.8° | 115.0° |
| O1P | P | O5' | 105.6° | 115.0° |
| O2P | P | O3P | 103.3° | 103.3° |
| O2P | P | O5' | 111.4° | 103.7° |
| P | O2P | H2P | 121.0° | 119.0° |
| O3P | P | O5' | 102.3° | 102.9° |
| P | O3P | H3P | 111.8° | 118.9° |
| P | O5' | C5' | 123.8° | 118.5° |
| O5' | C5' | C4' | 106.4° | 108.7° |
| O5' | C5' | H5'1 | 113.3° | 109.3° |
| O5' | C5' | H5'2 | 113.4° | 109.2° |
| C4' | C5' | H5'1 | 113.3° | 110.0° |
| C4' | C5' | H5'2 | 113.3° | 110.0° |
| C5' | C4' | O4' | 109.4° | 109.8° |
| C5' | C4' | C3' | 113.0° | 113.4° |
| C5' | C4' | H4' | 105.5° | 108.7° |
| H5'1 | C5' | H5'2 | 97.1° | 109.6° |
| O4' | C4' | C3' | 117.1° | 105.8° |
| O4' | C4' | H4' | 105.4° | 108.0° |
| C4' | O4' | C1' | 97.3° | 108.4° |
| C3' | C4' | H4' | 105.4° | 111.1° |
| C4' | C3' | O3' | 109.2° | 111.5° |
| C4' | C3' | C2' | 96.7° | 101.3° |
| C4' | C3' | H3' | 112.6° | 111.6° |
| O4' | C1' | C2' | 109.9° | 107.1° |
| O4' | C1' | N1 | 127.6° | 109.5° |
| O4' | C1' | H1' | 91.7° | 107.8° |
| O3' | C3' | C2' | 112.3° | 112.4° |
| O3' | C3' | H3' | 112.5° | 109.4° |
| C3' | O3' | HA | 109.2° | 106.5° |
| C2' | C3' | H3' | 112.5° | 110.5° |
| C3' | C2' | C1' | 99.6° | 101.8° |
| C3' | C2' | H2'1 | 116.0° | 113.1° |
| C3' | C2' | H2'2 | 116.0° | 110.4° |
| C1' | C2' | H2'1 | 116.0° | 112.9° |
| C1' | C2' | H2'2 | 116.0° | 111.9° |
| C2' | C1' | N1 | 122.2° | 113.0° |
| C2' | C1' | H1' | 91.7° | 111.5° |
| H2'1 | C2' | H2'2 | 94.4° | 106.8° |
| N1 | C1' | H1' | 91.7° | 107.9° |
| C1' | N1 | C2 | 123.2° | 116.1° |
| C1' | N1 | C6 | 116.8° | 119.7° |
| C2 | N1 | C6 | 119.9° | 124.2° |
| N1 | C2 | O2 | 124.1° | 124.5° |
| N1 | C2 | N3 | 116.3° | 115.3° |
| N1 | C6 | C5 | 119.1° | 115.0° |
| N1 | C6 | SG | 114.4° | 125.9° |
| O2 | C2 | N3 | 119.6° | 120.2° |
| C2 | N3 | C4 | 126.5° | 126.5° |
| C2 | N3 | H3 | 116.8° | 116.6° |
| C4 | N3 | H3 | 116.8° | 116.9° |
| N3 | C4 | N4 | 123.1° | 120.7° |
| N3 | C4 | C5 | 118.3° | 116.5° |
| N4 | C4 | C5 | 118.6° | 122.7° |
| C4 | N4 | HN1 | 111.2° | 109.2° |
| C4 | C5 | C6 | 114.7° | 113.4° |
| C4 | C5 | CM5 | 112.1° | 107.4° |
| C4 | C5 | F | 108.2° | 108.9° |
| C6 | C5 | CM5 | 113.2° | 108.8° |
| C6 | C5 | F | 104.0° | 111.2° |
| C5 | C6 | SG | 109.8° | 119.0° |
| CM5 | C5 | F | 103.5° | 106.8° |
| C5 | CM5 | HM51 | 113.2° | 110.5° |
| C5 | CM5 | HM52 | 110.9° | 110.6° |
| C5 | CM5 | HM53 | 110.9° | 110.5° |
| HM51 | CM5 | HM52 | 110.8° | 108.4° |
| HM51 | CM5 | HM53 | 110.9° | 108.3° |
| HM52 | CM5 | HM53 | 99.5° | 108.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 125.9° | 126.3° |
| O1P | P | O2P | O5' | 124.9° | 126.6° |
| O1P | P | O3P | O5' | 112.5° | 125.8° |
| O1P | P | O2P | H2P | 180.0° | 48.8° |
| O1P | P | O3P | H3P | 180.0° | 48.0° |
| O1P | P | O5' | C5' | 158.0° | 180.0° |
| O2P | P | O3P | O5' | 115.8° | 107.7° |
| O2P | P | O3P | H3P | 48.3° | 78.5° |
| O2P | P | O5' | C5' | 68.9° | 53.2° |
| O3P | P | O2P | H2P | 54.0° | 77.6° |
| O3P | P | O5' | C5' | 40.9° | 54.2° |
| O5' | P | O2P | H2P | 55.1° | 175.3° |
| O5' | P | O3P | H3P | 67.4° | 173.8° |
| P | O5' | C5' | C4' | 162.2° | 180.0° |
| P | O5' | C5' | H5'1 | 37.0° | 60.0° |
| P | O5' | C5' | H5'2 | 72.5° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.2° | 119.6° |
| O5' | C5' | C4' | H5'2 | 125.3° | 119.5° |
| O5' | C5' | H5'1 | H5'2 | 119.3° | 119.7° |
| O5' | C5' | C4' | O4' | 29.6° | 61.5° |
| O5' | C5' | C4' | C3' | 161.9° | 179.5° |
| O5' | C5' | C4' | H4' | 83.4° | 56.4° |
| C4' | C5' | H5'1 | H5'2 | 119.3° | 121.1° |
| C5' | C4' | O4' | C3' | 130.2° | 122.7° |
| C5' | C4' | O4' | H4' | 113.0° | 118.3° |
| C5' | C4' | C3' | H4' | 114.7° | 122.7° |
| C5' | C4' | O4' | C1' | 132.2° | 141.0° |
| C5' | C4' | C3' | O3' | 87.6° | 84.2° |
| C5' | C4' | C3' | C2' | 156.0° | 156.1° |
| C5' | C4' | C3' | H3' | 38.2° | 38.5° |
| H5'1 | C5' | C4' | O4' | 154.8° | 58.1° |
| H5'1 | C5' | C4' | C3' | 72.8° | 59.9° |
| H5'1 | C5' | C4' | H4' | 41.8° | 176.0° |
| H5'2 | C5' | C4' | O4' | 95.7° | 179.0° |
| H5'2 | C5' | C4' | C3' | 36.6° | 61.0° |
| H5'2 | C5' | C4' | H4' | 151.3° | 63.1° |
| O4' | C4' | C3' | H4' | 116.8° | 116.9° |
| O4' | C4' | C3' | O3' | 143.9° | 155.5° |
| O4' | C4' | C3' | C2' | 27.5° | 35.7° |
| O4' | C4' | C3' | H3' | 90.3° | 81.8° |
| C4' | O4' | C1' | C2' | 26.1° | 6.8° |
| C4' | O4' | C1' | N1 | 147.9° | 129.5° |
| C4' | O4' | C1' | H1' | 118.5° | 113.4° |
| C3' | C4' | O4' | C1' | 2.0° | 18.3° |
| C4' | C3' | O3' | C2' | 106.0° | 112.9° |
| C4' | C3' | O3' | H3' | 125.8° | 124.0° |
| C4' | C3' | C2' | H3' | 117.8° | 118.4° |
| C4' | C3' | O3' | HA | 180.0° | 167.9° |
| C4' | C3' | C2' | C1' | 38.7° | 38.3° |
| C4' | C3' | C2' | H2'1 | 86.6° | 159.7° |
| C4' | C3' | C2' | H2'2 | 163.9° | 80.7° |
| H4' | C4' | O4' | C1' | 114.8° | 100.7° |
| H4' | C4' | C3' | O3' | 27.1° | 38.6° |
| H4' | C4' | C3' | C2' | 89.3° | 81.2° |
| H4' | C4' | C3' | H3' | 152.9° | 161.2° |
| O4' | C1' | C2' | C3' | 44.0° | 28.9° |
| O4' | C1' | C2' | N1 | 174.4° | 120.6° |
| O4' | C1' | C2' | H1' | 92.5° | 117.7° |
| O4' | C1' | C2' | H2'1 | 81.3° | 150.5° |
| O4' | C1' | C2' | H2'2 | 169.3° | 89.0° |
| O4' | C1' | N1 | H1' | 93.5° | 117.1° |
| O4' | C1' | N1 | C2 | 36.9° | 30.5° |
| O4' | C1' | N1 | C6 | 140.7° | 147.0° |
| O3' | C3' | C2' | H3' | 128.2° | 122.5° |
| O3' | C3' | C2' | C1' | 152.7° | 157.4° |
| O3' | C3' | C2' | H2'1 | 27.4° | 81.2° |
| O3' | C3' | C2' | H2'2 | 82.1° | 38.4° |
| C2' | C3' | O3' | HA | 74.0° | 79.2° |
| C3' | C2' | C1' | H2'1 | 125.3° | 121.6° |
| C3' | C2' | C1' | H2'2 | 125.3° | 117.9° |
| C3' | C2' | H2'1 | H2'2 | 121.8° | 121.7° |
| C3' | C2' | C1' | N1 | 130.4° | 149.4° |
| C3' | C2' | C1' | H1' | 136.5° | 88.9° |
| H3' | C3' | O3' | HA | 54.2° | 43.9° |
| H3' | C3' | C2' | C1' | 79.2° | 80.1° |
| H3' | C3' | C2' | H2'1 | 155.6° | 41.3° |
| H3' | C3' | C2' | H2'2 | 46.1° | 160.9° |
| C1' | C2' | H2'1 | H2'2 | 121.8° | 123.4° |
| C2' | C1' | N1 | H1' | 93.1° | 123.7° |
| C2' | C1' | N1 | C2 | 149.8° | 88.7° |
| C2' | C1' | N1 | C6 | 32.6° | 93.7° |
| H2'1 | C2' | C1' | N1 | 104.4° | 89.0° |
| H2'1 | C2' | C1' | H1' | 11.2° | 32.7° |
| H2'2 | C2' | C1' | N1 | 5.1° | 31.5° |
| H2'2 | C2' | C1' | H1' | 98.2° | 153.2° |
| C1' | N1 | C2 | C6 | 177.5° | 177.4° |
| C1' | N1 | C2 | O2 | 7.7° | 6.0° |
| C1' | N1 | C2 | N3 | 172.3° | 171.6° |
| C1' | N1 | C6 | C5 | 167.2° | 166.5° |
| C1' | N1 | C6 | SG | 60.1° | 10.3° |
| H1' | C1' | N1 | C2 | 56.7° | 147.6° |
| H1' | C1' | N1 | C6 | 125.8° | 30.0° |
| N1 | C2 | O2 | N3 | 179.9° | 177.4° |
| N1 | C2 | N3 | C4 | 17.5° | 10.4° |
| N1 | C2 | N3 | H3 | 162.5° | 169.7° |
| C2 | N1 | C6 | C5 | 15.2° | 16.1° |
| C2 | N1 | C6 | SG | 117.5° | 167.0° |
| C6 | N1 | C2 | O2 | 174.8° | 176.6° |
| C6 | N1 | C2 | N3 | 5.2° | 5.8° |
| N1 | C6 | C5 | C4 | 23.6° | 33.1° |
| N1 | C6 | C5 | SG | 134.7° | 177.1° |
| N1 | C6 | C5 | CM5 | 106.8° | 86.4° |
| N1 | C6 | C5 | F | 141.6° | 156.2° |
| O2 | C2 | N3 | C4 | 162.5° | 171.9° |
| O2 | C2 | N3 | H3 | 17.5° | 7.9° |
| C2 | N3 | C4 | H3 | 180.0° | 179.8° |
| C2 | N3 | C4 | N4 | 170.8° | 174.7° |
| C2 | N3 | C4 | C5 | 8.1° | 8.3° |
| N3 | C4 | N4 | C5 | 178.9° | 176.8° |
| N3 | C4 | C5 | C6 | 12.9° | 29.7° |
| N3 | C4 | C5 | CM5 | 118.0° | 90.6° |
| N3 | C4 | C5 | F | 128.5° | 154.1° |
| N3 | C4 | N4 | HN1 | 180.0° | 176.8° |
| H3 | N3 | C4 | N4 | 9.3° | 5.5° |
| H3 | N3 | C4 | C5 | 171.9° | 171.5° |
| N4 | C4 | C5 | C6 | 168.2° | 153.4° |
| N4 | C4 | C5 | CM5 | 60.9° | 86.4° |
| N4 | C4 | C5 | F | 52.6° | 28.9° |
| C4 | C5 | C6 | CM5 | 130.4° | 119.4° |
| C4 | C5 | C6 | F | 118.0° | 123.2° |
| C4 | C5 | CM5 | F | 116.4° | 116.7° |
| C4 | C5 | C6 | SG | 111.1° | 149.9° |
| C4 | C5 | CM5 | HM51 | 48.3° | 113.1° |
| C4 | C5 | CM5 | HM52 | 77.0° | 126.8° |
| C4 | C5 | CM5 | HM53 | 173.5° | 6.8° |
| C5 | C4 | N4 | HN1 | 1.1° | 0.1° |
| C6 | C5 | CM5 | F | 111.9° | 120.2° |
| C6 | C5 | CM5 | HM51 | 180.0° | 123.7° |
| C6 | C5 | CM5 | HM52 | 54.8° | 3.7° |
| C6 | C5 | CM5 | HM53 | 54.8° | 116.4° |
| CM5 | C5 | C6 | SG | 118.5° | 90.7° |
| C5 | CM5 | HM51 | HM52 | 125.2° | 121.4° |
| C5 | CM5 | HM51 | HM53 | 125.3° | 121.2° |
| C5 | CM5 | HM52 | HM53 | 116.7° | 121.3° |
| F | C5 | C6 | SG | 6.9° | 26.7° |
| F | C5 | CM5 | HM51 | 68.1° | 3.6° |
| F | C5 | CM5 | HM52 | 166.7° | 116.5° |
| F | C5 | CM5 | HM53 | 57.2° | 123.5° |
| HM51 | CM5 | HM52 | HM53 | 116.7° | 117.4° |
