PRD_900069
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.48Å | 1.53Å | |
| O1P | P | sing | 1.61Å | 1.50Å | |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| P | O3P | sing | 1.61Å | 1.53Å | |
| P | O6 | sing | 1.61Å | 1.57Å | |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.42Å | |
| O3 | C3 | sing | 1.43Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C3 | C2 | sing | 1.53Å | 1.41Å | |
| O5 | C1 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| O5' | C1' | sing | 1.43Å | 1.42Å | |
| O5' | C5' | sing | 1.43Å | 1.40Å | |
| C6' | O1 | sing | 1.43Å | 1.38Å | |
| C6' | C5' | sing | 1.53Å | 1.50Å | |
| O1' | C1' | sing | 1.43Å | 1.37Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C3' | sing | 1.53Å | 1.38Å | |
| C4' | C3' | sing | 1.53Å | 1.46Å | |
| C4' | O4' | sing | 1.43Å | 1.40Å | |
| C3' | O3' | sing | 1.43Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O3P | H8 | sing | 0.97Å | 0.95Å | |
| O1P | H9 | sing | 0.97Å | 0.95Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| C1' | H13 | sing | 1.09Å | 1.10Å | |
| O1' | H14 | sing | 0.97Å | 0.95Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| C5' | H17 | sing | 1.09Å | 1.10Å | |
| C4' | H18 | sing | 1.09Å | 1.10Å | |
| O4' | H19 | sing | 0.97Å | 0.95Å | |
| C3' | H20 | sing | 1.09Å | 1.10Å | |
| O3' | H21 | sing | 0.97Å | 0.95Å | |
| C6' | H22 | sing | 1.09Å | 1.10Å | |
| C6' | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O1P | 109.9° | 109.4° |
| O2P | P | O3P | 110.7° | 109.4° |
| O2P | P | O6 | 109.3° | 109.5° |
| O1P | P | O3P | 109.0° | 109.4° |
| O1P | P | O6 | 107.3° | 109.5° |
| P | O1P | H9 | 109.5° | 114.0° |
| O4 | C4 | C5 | 108.1° | 109.5° |
| O4 | C4 | C3 | 112.7° | 109.6° |
| O4 | C4 | H4 | 108.4° | 109.6° |
| C4 | O4 | H10 | 109.5° | 114.0° |
| O3P | P | O6 | 110.6° | 109.5° |
| P | O3P | H8 | 109.5° | 114.0° |
| P | O6 | C6 | 119.0° | 123.0° |
| O6 | C6 | C5 | 120.0° | 109.5° |
| O6 | C6 | H6 | 106.8° | 109.5° |
| O6 | C6 | H7 | 106.8° | 109.5° |
| C5 | C4 | C3 | 111.2° | 109.2° |
| C4 | C5 | C6 | 110.0° | 109.5° |
| C4 | C5 | O5 | 112.3° | 109.4° |
| C5 | C4 | H4 | 107.6° | 109.5° |
| C4 | C5 | H5 | 107.9° | 109.4° |
| C4 | C3 | O3 | 112.6° | 109.6° |
| C4 | C3 | C2 | 110.3° | 109.0° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| O3 | C3 | C2 | 109.4° | 109.6° |
| O3 | C3 | H3 | 107.7° | 109.6° |
| C3 | O3 | H11 | 109.5° | 114.0° |
| C6 | C5 | O5 | 109.3° | 109.5° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | H6 | 106.8° | 109.5° |
| C5 | C6 | H7 | 106.8° | 109.4° |
| C5 | O5 | C1 | 113.6° | 114.1° |
| O5 | C5 | H5 | 109.2° | 109.5° |
| C3 | C2 | C1 | 111.4° | 109.1° |
| C3 | C2 | O2 | 109.8° | 109.5° |
| C3 | C2 | H2 | 109.4° | 109.6° |
| C2 | C3 | H3 | 108.4° | 109.6° |
| O5 | C1 | C2 | 112.8° | 109.5° |
| O5 | C1 | O1 | 110.4° | 109.5° |
| O5 | C1 | H1 | 107.6° | 109.5° |
| C1 | C2 | O2 | 108.8° | 109.5° |
| C2 | C1 | O1 | 111.6° | 109.5° |
| C2 | C1 | H1 | 106.4° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| O2 | C2 | H2 | 109.3° | 109.6° |
| C2 | O2 | H12 | 109.5° | 114.0° |
| C1 | O1 | C6' | 121.8° | 114.0° |
| O1 | C1 | H1 | 107.7° | 109.4° |
| C1' | O5' | C5' | 111.1° | 114.1° |
| O5' | C1' | O1' | 108.4° | 109.5° |
| O5' | C1' | C2' | 113.4° | 109.5° |
| O5' | C1' | H13 | 108.5° | 109.5° |
| O5' | C5' | C6' | 111.4° | 109.5° |
| O5' | C5' | C4' | 112.2° | 109.4° |
| O5' | C5' | H17 | 109.0° | 109.5° |
| O1 | C6' | C5' | 113.7° | 109.5° |
| O1 | C6' | H22 | 108.4° | 109.5° |
| O1 | C6' | H23 | 108.4° | 109.4° |
| C6' | C5' | C4' | 108.5° | 109.5° |
| C6' | C5' | H17 | 107.8° | 109.5° |
| C5' | C6' | H22 | 108.4° | 109.5° |
| C5' | C6' | H23 | 108.4° | 109.5° |
| O1' | C1' | C2' | 110.3° | 109.5° |
| O1' | C1' | H13 | 109.2° | 109.5° |
| C1' | O1' | H14 | 109.5° | 114.0° |
| C1' | C2' | O2' | 110.4° | 109.5° |
| C1' | C2' | C3' | 113.0° | 109.1° |
| C2' | C1' | H13 | 106.9° | 109.5° |
| C1' | C2' | H15 | 107.0° | 109.5° |
| C5' | C4' | C3' | 109.7° | 109.2° |
| C5' | C4' | O4' | 109.9° | 109.5° |
| C4' | C5' | H17 | 107.8° | 109.5° |
| C5' | C4' | H18 | 108.4° | 109.5° |
| O2' | C2' | C3' | 109.0° | 109.6° |
| O2' | C2' | H15 | 108.1° | 109.6° |
| C2' | O2' | H16 | 109.5° | 114.1° |
| C2' | C3' | C4' | 110.8° | 109.1° |
| C2' | C3' | O3' | 110.4° | 109.5° |
| C3' | C2' | H15 | 109.1° | 109.5° |
| C2' | C3' | H20 | 109.6° | 109.5° |
| C3' | C4' | O4' | 110.2° | 109.5° |
| C4' | C3' | O3' | 109.3° | 109.6° |
| C3' | C4' | H18 | 108.9° | 109.6° |
| C4' | C3' | H20 | 108.5° | 109.6° |
| O4' | C4' | H18 | 109.6° | 109.5° |
| C4' | O4' | H19 | 109.5° | 114.0° |
| O3' | C3' | H20 | 108.1° | 109.6° |
| C3' | O3' | H21 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H22 | C6' | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O1P | O3P | 121.5° | 119.9° |
| O2P | P | O1P | O6 | 118.7° | 120.0° |
| O2P | P | O3P | O6 | 121.3° | 120.0° |
| O2P | P | O6 | C6 | 65.1° | 55.0° |
| O2P | P | O3P | H8 | 0.0° | 60.0° |
| O2P | P | O1P | H9 | 0.0° | 180.0° |
| O1P | P | O3P | O6 | 117.7° | 120.0° |
| O1P | P | O6 | C6 | 175.7° | 65.0° |
| O1P | P | O3P | H8 | 121.0° | 60.0° |
| O4 | C4 | C5 | C3 | 124.2° | 120.0° |
| O4 | C4 | C5 | H4 | 116.9° | 120.1° |
| O4 | C4 | C3 | H4 | 120.2° | 120.2° |
| O4 | C4 | C3 | O3 | 55.7° | 63.2° |
| O4 | C4 | C5 | C6 | 103.8° | 62.4° |
| O4 | C4 | C5 | O5 | 134.3° | 177.5° |
| O4 | C4 | C3 | C2 | 178.2° | 176.9° |
| O4 | C4 | C3 | H3 | 63.3° | 57.1° |
| O4 | C4 | C5 | H5 | 13.9° | 57.6° |
| O3P | P | O6 | C6 | 57.0° | 175.0° |
| O3P | P | O1P | H9 | 121.5° | 60.0° |
| P | O6 | C6 | C5 | 87.9° | 180.0° |
| P | O6 | C6 | H6 | 150.7° | 60.0° |
| P | O6 | C6 | H7 | 33.6° | 60.0° |
| O6 | P | O3P | H8 | 121.3° | 180.0° |
| O6 | P | O1P | H9 | 118.7° | 60.0° |
| O6 | C6 | C5 | C4 | 100.5° | 175.0° |
| O6 | C6 | C5 | H6 | 121.5° | 120.1° |
| O6 | C6 | C5 | H7 | 121.5° | 120.0° |
| O6 | C6 | C5 | O5 | 135.8° | 65.0° |
| O6 | C6 | C5 | H5 | 17.0° | 55.0° |
| O6 | C6 | H6 | H7 | 115.2° | 120.0° |
| C5 | C4 | C3 | H4 | 118.3° | 119.9° |
| C5 | C4 | C3 | O3 | 177.2° | 176.9° |
| C4 | C5 | C6 | O5 | 123.7° | 120.0° |
| C4 | C5 | C6 | H5 | 117.5° | 120.0° |
| C4 | C5 | O5 | H5 | 119.6° | 119.9° |
| C5 | C4 | C3 | C2 | 60.2° | 57.0° |
| C4 | C5 | O5 | C1 | 45.5° | 61.1° |
| C5 | C4 | C3 | H3 | 58.2° | 62.9° |
| C4 | C5 | C6 | H6 | 138.0° | 54.9° |
| C4 | C5 | C6 | H7 | 20.9° | 65.0° |
| C5 | C4 | O4 | H10 | 64.7° | 180.0° |
| C4 | C3 | O3 | C2 | 123.0° | 119.6° |
| C4 | C3 | O3 | H3 | 119.4° | 120.2° |
| C3 | C4 | C5 | C6 | 132.0° | 177.6° |
| C3 | C4 | C5 | O5 | 10.1° | 57.6° |
| C4 | C3 | C2 | H3 | 118.4° | 119.8° |
| C4 | C3 | C2 | C1 | 53.9° | 57.0° |
| C4 | C3 | C2 | O2 | 174.4° | 176.9° |
| C4 | C3 | C2 | H2 | 65.6° | 62.9° |
| C3 | C4 | C5 | H5 | 110.3° | 62.4° |
| C3 | C4 | O4 | H10 | 172.0° | 60.3° |
| C4 | C3 | O3 | H11 | 180.0° | 179.6° |
| O3 | C3 | C2 | H3 | 117.2° | 120.2° |
| O3 | C3 | C2 | C1 | 178.2° | 176.9° |
| O3 | C3 | C2 | O2 | 61.2° | 63.2° |
| O3 | C3 | C2 | H2 | 58.8° | 57.0° |
| O3 | C3 | C4 | H4 | 64.5° | 57.1° |
| C6 | C5 | O5 | H5 | 118.0° | 120.0° |
| C6 | C5 | O5 | C1 | 76.8° | 178.9° |
| C6 | C5 | C4 | H4 | 13.1° | 57.7° |
| C5 | C6 | H6 | H7 | 115.2° | 119.9° |
| C5 | O5 | C1 | C2 | 52.0° | 61.1° |
| C5 | O5 | C1 | O1 | 73.7° | 178.9° |
| C5 | O5 | C1 | H1 | 169.0° | 58.9° |
| O5 | C5 | C4 | H4 | 108.8° | 62.4° |
| O5 | C5 | C6 | H6 | 14.3° | 174.9° |
| O5 | C5 | C6 | H7 | 102.8° | 55.0° |
| C3 | C2 | C1 | O5 | 1.4° | 57.6° |
| C3 | C2 | C1 | O2 | 121.2° | 119.9° |
| C3 | C2 | C1 | H2 | 120.2° | 120.0° |
| C3 | C2 | O2 | H2 | 120.0° | 120.2° |
| C3 | C2 | C1 | O1 | 123.6° | 177.6° |
| C3 | C2 | C1 | H1 | 119.1° | 62.4° |
| C2 | C3 | C4 | H4 | 58.0° | 62.9° |
| C2 | C3 | O3 | H11 | 57.0° | 60.0° |
| C3 | C2 | O2 | H12 | 180.0° | 179.7° |
| O5 | C1 | C2 | O1 | 125.0° | 120.0° |
| O5 | C1 | C2 | H1 | 117.8° | 120.0° |
| O5 | C1 | C2 | O2 | 119.8° | 177.5° |
| O5 | C1 | O1 | H1 | 117.2° | 120.0° |
| O5 | C1 | O1 | C6' | 114.9° | 65.0° |
| O5 | C1 | C2 | H2 | 121.6° | 62.3° |
| C1 | O5 | C5 | H5 | 165.1° | 58.8° |
| C1 | C2 | O2 | H2 | 117.9° | 120.1° |
| C2 | C1 | O1 | H1 | 116.5° | 120.0° |
| C2 | C1 | O1 | C6' | 11.5° | 175.0° |
| C1 | C2 | C3 | H3 | 64.6° | 62.8° |
| C1 | C2 | O2 | H12 | 57.9° | 60.0° |
| O2 | C2 | C1 | O1 | 115.2° | 62.5° |
| O2 | C2 | C1 | H1 | 2.0° | 57.4° |
| O2 | C2 | C3 | H3 | 56.0° | 57.0° |
| C1 | O1 | C6' | C5' | 153.7° | 180.0° |
| O1 | C1 | C2 | H2 | 3.4° | 57.6° |
| C1 | O1 | C6' | H22 | 33.0° | 60.0° |
| C1 | O1 | C6' | H23 | 85.7° | 60.0° |
| C1' | O5' | C5' | C6' | 177.5° | 178.9° |
| O5' | C1' | O1' | C2' | 124.7° | 120.0° |
| O5' | C1' | O1' | H13 | 118.1° | 120.0° |
| O5' | C1' | C2' | H13 | 119.6° | 120.0° |
| C1' | O5' | C5' | C4' | 55.6° | 61.1° |
| O5' | C1' | C2' | O2' | 170.9° | 177.5° |
| O5' | C1' | C2' | C3' | 48.4° | 57.6° |
| O5' | C1' | O1' | H14 | 180.0° | 60.0° |
| O5' | C1' | C2' | H15 | 71.6° | 62.3° |
| C1' | O5' | C5' | H17 | 63.7° | 58.9° |
| O5' | C5' | C6' | O1 | 168.9° | 65.0° |
| O5' | C5' | C6' | C4' | 124.0° | 120.0° |
| O5' | C5' | C6' | H17 | 119.5° | 120.0° |
| C5' | O5' | C1' | O1' | 171.6° | 178.9° |
| C5' | O5' | C1' | C2' | 48.7° | 61.1° |
| O5' | C5' | C4' | H17 | 120.1° | 120.0° |
| O5' | C5' | C4' | C3' | 59.9° | 57.6° |
| O5' | C5' | C4' | O4' | 178.7° | 177.5° |
| C5' | O5' | C1' | H13 | 69.9° | 58.9° |
| O5' | C5' | C4' | H18 | 58.9° | 62.4° |
| O5' | C5' | C6' | H22 | 48.3° | 55.0° |
| O5' | C5' | C6' | H23 | 70.4° | 175.0° |
| O1 | C6' | C5' | H22 | 120.7° | 120.0° |
| O1 | C6' | C5' | H23 | 120.6° | 120.0° |
| O1 | C6' | C5' | C4' | 67.1° | 175.0° |
| C6' | O1 | C1 | H1 | 127.9° | 55.0° |
| O1 | C6' | C5' | H17 | 49.4° | 55.0° |
| O1 | C6' | H22 | H23 | 118.1° | 119.9° |
| C6' | C5' | C4' | H17 | 116.5° | 120.0° |
| C6' | C5' | C4' | C3' | 176.7° | 177.6° |
| C6' | C5' | C4' | O4' | 55.3° | 62.5° |
| C6' | C5' | C4' | H18 | 64.5° | 57.7° |
| C5' | C6' | H22 | H23 | 118.0° | 120.0° |
| O1' | C1' | C2' | H13 | 118.6° | 120.0° |
| O1' | C1' | C2' | O2' | 67.3° | 62.5° |
| O1' | C1' | C2' | C3' | 170.3° | 177.6° |
| O1' | C1' | C2' | H15 | 50.2° | 57.7° |
| C1' | C2' | O2' | C3' | 124.7° | 119.7° |
| C1' | C2' | O2' | H15 | 116.8° | 120.1° |
| C1' | C2' | C3' | H15 | 118.9° | 119.8° |
| C1' | C2' | C3' | C4' | 52.0° | 56.9° |
| C1' | C2' | C3' | O3' | 173.3° | 176.8° |
| C2' | C1' | O1' | H14 | 55.3° | 180.0° |
| C1' | C2' | O2' | H16 | 180.0° | 60.0° |
| C1' | C2' | C3' | H20 | 67.8° | 62.9° |
| C5' | C4' | C3' | C2' | 57.7° | 57.0° |
| C5' | C4' | C3' | O4' | 121.2° | 120.0° |
| C5' | C4' | C3' | H18 | 118.5° | 119.9° |
| C5' | C4' | O4' | H18 | 119.1° | 120.1° |
| C5' | C4' | C3' | O3' | 179.6° | 176.9° |
| C5' | C4' | O4' | H19 | 180.0° | 180.0° |
| C5' | C4' | C3' | H20 | 62.7° | 62.8° |
| C4' | C5' | C6' | H22 | 172.3° | 65.0° |
| C4' | C5' | C6' | H23 | 53.5° | 55.1° |
| O2' | C2' | C3' | H15 | 117.9° | 120.2° |
| O2' | C2' | C3' | C4' | 175.2° | 176.8° |
| O2' | C2' | C3' | O3' | 63.5° | 63.2° |
| O2' | C2' | C1' | H13 | 51.3° | 57.5° |
| O2' | C2' | C3' | H20 | 55.4° | 57.0° |
| C2' | C3' | C4' | O3' | 121.9° | 119.9° |
| C2' | C3' | C4' | H20 | 120.4° | 119.8° |
| C2' | C3' | C4' | O4' | 178.9° | 176.9° |
| C2' | C3' | O3' | H20 | 119.9° | 120.1° |
| C3' | C2' | C1' | H13 | 71.2° | 62.4° |
| C3' | C2' | O2' | H16 | 55.3° | 179.7° |
| C2' | C3' | C4' | H18 | 60.8° | 63.0° |
| C2' | C3' | O3' | H21 | 180.0° | 59.9° |
| C3' | C4' | O4' | H18 | 119.9° | 120.1° |
| C4' | C3' | O3' | H20 | 118.0° | 120.3° |
| C4' | C3' | C2' | H15 | 66.9° | 62.9° |
| C3' | C4' | C5' | H17 | 60.2° | 62.4° |
| C3' | C4' | O4' | H19 | 58.9° | 60.2° |
| C4' | C3' | O3' | H21 | 57.9° | 179.5° |
| O4' | C4' | C3' | O3' | 59.2° | 63.2° |
| O4' | C4' | C5' | H17 | 61.2° | 57.6° |
| O4' | C4' | C3' | H20 | 58.5° | 57.1° |
| O3' | C3' | C2' | H15 | 54.4° | 57.0° |
| O3' | C3' | C4' | H18 | 61.1° | 56.9° |
| H1 | C1 | C2 | H2 | 120.7° | 177.6° |
| H2 | C2 | C3 | H3 | 176.0° | 177.2° |
| H2 | C2 | O2 | H12 | 60.0° | 60.1° |
| H3 | C3 | C4 | H4 | 176.5° | 177.3° |
| H3 | C3 | O3 | H11 | 60.7° | 60.2° |
| H4 | C4 | C5 | H5 | 130.8° | 177.7° |
| H4 | C4 | O4 | H10 | 51.7° | 59.9° |
| H5 | C5 | C6 | H6 | 104.4° | 65.0° |
| H5 | C5 | C6 | H7 | 138.5° | 175.0° |
| H13 | C1' | O1' | H14 | 61.9° | 60.0° |
| H13 | C1' | C2' | H15 | 168.8° | 177.7° |
| H15 | C2' | O2' | H16 | 63.2° | 60.0° |
| H15 | C2' | C3' | H20 | 173.3° | 177.2° |
| H17 | C5' | C4' | H18 | 179.0° | 177.7° |
| H17 | C5' | C6' | H22 | 71.2° | 175.0° |
| H17 | C5' | C6' | H23 | 170.1° | 65.0° |
| H18 | C4' | O4' | H19 | 60.9° | 59.9° |
| H18 | C4' | C3' | H20 | 178.8° | 177.2° |
| H20 | C3' | O3' | H21 | 60.1° | 60.2° |
