P4U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | sing | 1.61Å | 1.50Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C6 | sing | 1.36Å | 1.33Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| C6 | C5 | doub | 1.36Å | 1.37Å | |
| C5 | C4 | sing | 1.41Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.33Å | 1.34Å | |
| C4 | N3 | doub | 1.32Å | 1.34Å | |
| C4 | O4 | sing | 1.35Å | 1.37Å | |
| C41 | O4 | sing | 1.43Å | 1.43Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.50Å | |
| 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 | 1.08Å | 1.08Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| O2' | H9 | sing | 0.97Å | 0.95Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| OP2 | H12 | sing | 0.97Å | 0.95Å | |
| C41 | H13 | sing | 1.09Å | 1.10Å | |
| C41 | H14 | sing | 1.09Å | 1.10Å | |
| C42 | H15 | sing | 1.09Å | 1.10Å | |
| C42 | H16 | sing | 1.09Å | 1.10Å | |
| C43 | H17 | sing | 1.09Å | 1.10Å | |
| C43 | H18 | sing | 1.09Å | 1.10Å | |
| C43 | H19 | sing | 1.09Å | 1.10Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP3 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | O5' | 108.7° | 109.5° |
| OP2 | P | OP1 | 118.8° | 109.4° |
| P | OP2 | H12 | 109.5° | 113.9° |
| OP2 | P | OP3 | 108.8° | 109.5° |
| O3' | C3' | C4' | 113.8° | 110.7° |
| O3' | C3' | C2' | 114.9° | 110.4° |
| O3' | C3' | H3 | 109.6° | 110.4° |
| C3' | O3' | H10 | 109.5° | 114.0° |
| O5' | C5' | C4' | 111.5° | 109.5° |
| C5' | O5' | P | 121.5° | 123.0° |
| O5' | C5' | H6 | 109.0° | 109.5° |
| O5' | C5' | H7 | 109.0° | 109.5° |
| C5' | C4' | C3' | 114.7° | 109.9° |
| C5' | C4' | O4' | 110.3° | 110.0° |
| C5' | C4' | H4 | 109.4° | 109.9° |
| C4' | C5' | H6 | 108.9° | 109.4° |
| C4' | C5' | H7 | 109.0° | 109.4° |
| O5' | P | OP1 | 110.7° | 109.4° |
| O5' | P | OP3 | 102.5° | 109.5° |
| C3' | C4' | O4' | 103.0° | 107.4° |
| C4' | C3' | C2' | 101.9° | 104.2° |
| C4' | C3' | H3 | 108.2° | 110.5° |
| C3' | C4' | H4 | 109.2° | 109.9° |
| C4' | O4' | C1' | 109.4° | 106.9° |
| O4' | C4' | H4 | 110.0° | 109.7° |
| OP1 | P | OP3 | 106.1° | 109.5° |
| C3' | C2' | O2' | 111.3° | 111.0° |
| C3' | C2' | C1' | 100.8° | 102.1° |
| C3' | C2' | H2 | 111.4° | 110.9° |
| C2' | C3' | H3 | 108.1° | 110.4° |
| O2' | C2' | C1' | 108.5° | 110.9° |
| O2' | C2' | H2 | 113.0° | 110.8° |
| C2' | O2' | H9 | 109.5° | 114.0° |
| O4' | C1' | C2' | 107.1° | 103.7° |
| O4' | C1' | N1 | 108.8° | 110.6° |
| O4' | C1' | H1 | 110.8° | 110.6° |
| C2' | C1' | N1 | 111.0° | 110.6° |
| C2' | C1' | H1 | 109.2° | 110.6° |
| C1' | C2' | H2 | 111.2° | 110.9° |
| C1' | N1 | C6 | 120.1° | 119.8° |
| C1' | N1 | C2 | 121.3° | 119.9° |
| N1 | C1' | H1 | 109.9° | 110.6° |
| C6 | N1 | C2 | 118.6° | 120.3° |
| N1 | C6 | C5 | 121.3° | 119.2° |
| N1 | C6 | H8 | 119.3° | 120.4° |
| N1 | C2 | O2 | 122.2° | 119.5° |
| N1 | C2 | N3 | 119.7° | 121.0° |
| C6 | C5 | C4 | 119.4° | 119.0° |
| C6 | C5 | H5 | 120.3° | 120.5° |
| C5 | C6 | H8 | 119.3° | 120.3° |
| C5 | C4 | N3 | 119.7° | 119.6° |
| C5 | C4 | O4 | 119.1° | 120.2° |
| C4 | C5 | H5 | 120.3° | 120.5° |
| O2 | C2 | N3 | 118.1° | 119.5° |
| C2 | N3 | C4 | 121.3° | 120.8° |
| N3 | C4 | O4 | 121.2° | 120.2° |
| C4 | O4 | C41 | 120.8° | 117.0° |
| O4 | C41 | C42 | 111.0° | 109.5° |
| O4 | C41 | H13 | 109.1° | 109.5° |
| O4 | C41 | H14 | 109.1° | 109.5° |
| C41 | C42 | C43 | 110.6° | 109.5° |
| C42 | C41 | H13 | 109.1° | 109.4° |
| C42 | C41 | H14 | 109.1° | 109.4° |
| C41 | C42 | H15 | 109.2° | 109.4° |
| C41 | C42 | H16 | 109.2° | 109.5° |
| C43 | C42 | H15 | 109.2° | 109.5° |
| C43 | C42 | H16 | 109.2° | 109.5° |
| C42 | C43 | H17 | 109.5° | 109.5° |
| C42 | C43 | H18 | 109.5° | 109.5° |
| C42 | C43 | H19 | 109.4° | 109.5° |
| H6 | C5' | H7 | 109.5° | 109.5° |
| H13 | C41 | H14 | 109.5° | 109.5° |
| H15 | C42 | H16 | 109.5° | 109.4° |
| H17 | C43 | H18 | 109.5° | 109.5° |
| H17 | C43 | H19 | 109.5° | 109.5° |
| H18 | C43 | H19 | 109.5° | 109.4° |
| P | OP3 | H11 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | O5' | C5' | 60.9° | 64.9° |
| OP2 | P | O5' | OP1 | 132.1° | 120.0° |
| OP2 | P | O5' | OP3 | 115.1° | 120.1° |
| OP2 | P | OP1 | OP3 | 122.8° | 120.0° |
| OP2 | P | OP3 | H11 | 128.9° | 60.0° |
| O3' | C3' | C4' | C5' | 75.4° | 119.8° |
| O3' | C3' | C4' | C2' | 124.3° | 118.7° |
| O3' | C3' | C4' | H3 | 122.0° | 122.6° |
| O3' | C3' | C4' | O4' | 164.8° | 120.6° |
| O3' | C3' | C2' | H3 | 122.7° | 122.4° |
| O3' | C3' | C2' | O2' | 47.8° | 20.2° |
| O3' | C3' | C2' | C1' | 162.7° | 98.0° |
| O3' | C3' | C2' | H2 | 79.3° | 143.9° |
| O3' | C3' | C4' | H4 | 47.8° | 1.3° |
| O5' | C5' | C4' | H6 | 120.3° | 120.0° |
| O5' | C5' | C4' | H7 | 120.3° | 120.0° |
| O5' | C5' | C4' | C3' | 133.2° | 175.0° |
| O5' | C5' | C4' | O4' | 17.5° | 67.0° |
| C5' | O5' | P | OP1 | 71.2° | 55.0° |
| O5' | C5' | C4' | H4 | 103.6° | 53.9° |
| O5' | C5' | H6 | H7 | 119.1° | 120.1° |
| C5' | O5' | P | OP3 | 176.0° | 175.0° |
| C4' | C5' | O5' | P | 137.9° | 180.0° |
| C5' | C4' | C3' | O4' | 119.9° | 119.6° |
| C5' | C4' | C3' | H4 | 123.2° | 121.1° |
| C5' | C4' | O4' | H4 | 120.7° | 121.0° |
| C5' | C4' | C3' | C2' | 160.4° | 121.5° |
| C5' | C4' | O4' | C1' | 148.7° | 145.8° |
| C5' | C4' | C3' | H3 | 46.6° | 2.8° |
| C4' | C5' | H6 | H7 | 119.1° | 119.9° |
| O5' | P | OP1 | OP3 | 110.5° | 120.0° |
| P | O5' | C5' | H6 | 17.6° | 60.1° |
| P | O5' | C5' | H7 | 101.8° | 60.0° |
| O5' | P | OP2 | H12 | 127.7° | 60.0° |
| O5' | P | OP3 | H11 | 116.1° | 179.9° |
| C3' | C4' | O4' | H4 | 116.4° | 119.4° |
| C4' | C3' | C2' | H3 | 113.8° | 118.7° |
| C4' | C3' | C2' | O2' | 75.7° | 139.1° |
| C3' | C4' | O4' | C1' | 25.8° | 26.2° |
| C4' | C3' | C2' | C1' | 39.2° | 20.9° |
| C4' | C3' | C2' | H2 | 157.2° | 97.3° |
| C3' | C4' | C5' | H6 | 12.9° | 55.0° |
| C3' | C4' | C5' | H7 | 106.4° | 65.0° |
| C4' | C3' | O3' | H10 | 180.0° | 176.3° |
| O4' | C4' | C3' | C2' | 40.5° | 1.9° |
| C4' | O4' | C1' | C2' | 0.5° | 39.8° |
| C4' | O4' | C1' | N1 | 120.5° | 158.4° |
| C4' | O4' | C1' | H1 | 118.5° | 78.8° |
| O4' | C4' | C3' | H3 | 73.2° | 116.8° |
| O4' | C4' | C5' | H6 | 102.8° | 173.0° |
| O4' | C4' | C5' | H7 | 137.8° | 53.0° |
| OP1 | P | OP2 | H12 | 0.0° | 180.0° |
| OP1 | P | OP3 | H11 | 0.0° | 60.0° |
| C3' | C2' | O2' | C1' | 110.0° | 112.7° |
| C3' | C2' | O2' | H2 | 126.2° | 123.7° |
| C3' | C2' | C1' | O4' | 24.6° | 36.9° |
| C3' | C2' | C1' | H2 | 118.2° | 118.2° |
| C3' | C2' | C1' | N1 | 94.1° | 155.5° |
| C3' | C2' | C1' | H1 | 144.6° | 81.6° |
| C2' | C3' | C4' | H4 | 76.5° | 117.4° |
| C3' | C2' | O2' | H9 | 180.0° | 67.3° |
| C2' | C3' | O3' | H10 | 63.1° | 61.5° |
| O2' | C2' | C1' | O4' | 92.4° | 155.1° |
| O2' | C2' | C1' | H2 | 124.8° | 123.6° |
| O2' | C2' | C1' | N1 | 149.0° | 86.2° |
| O2' | C2' | C1' | H1 | 27.7° | 36.6° |
| O2' | C2' | C3' | H3 | 170.5° | 102.2° |
| O4' | C1' | C2' | N1 | 118.6° | 118.6° |
| O4' | C1' | C2' | H1 | 120.1° | 118.5° |
| O4' | C1' | N1 | H1 | 121.6° | 122.8° |
| O4' | C1' | N1 | C6 | 11.8° | 128.6° |
| O4' | C1' | N1 | C2 | 170.0° | 51.4° |
| O4' | C1' | C2' | H2 | 142.8° | 81.2° |
| C1' | O4' | C4' | H4 | 90.6° | 93.2° |
| C2' | C1' | N1 | H1 | 120.8° | 122.9° |
| C2' | C1' | N1 | C6 | 105.8° | 117.2° |
| C2' | C1' | N1 | C2 | 72.4° | 62.8° |
| C1' | C2' | C3' | H3 | 74.6° | 139.6° |
| C1' | C2' | O2' | H9 | 70.0° | 180.0° |
| C1' | N1 | C6 | C2 | 178.3° | 180.0° |
| C1' | N1 | C6 | C5 | 178.2° | 180.0° |
| C1' | N1 | C2 | O2 | 2.1° | 0.0° |
| C1' | N1 | C2 | N3 | 178.9° | 179.7° |
| N1 | C1' | C2' | H2 | 24.1° | 37.4° |
| C1' | N1 | C6 | H8 | 1.8° | 0.2° |
| N1 | C6 | C5 | H8 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.4° | 0.2° |
| C6 | N1 | C2 | O2 | 179.6° | 180.0° |
| C6 | N1 | C2 | N3 | 0.6° | 0.3° |
| C6 | N1 | C1' | H1 | 133.3° | 5.7° |
| N1 | C6 | C5 | H5 | 179.6° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| N1 | C2 | O2 | N3 | 179.0° | 179.8° |
| N1 | C2 | N3 | C4 | 1.0° | 0.2° |
| C2 | N1 | C1' | H1 | 48.4° | 174.3° |
| C2 | N1 | C6 | H8 | 179.9° | 179.8° |
| C6 | C5 | C4 | H5 | 180.0° | 179.8° |
| C6 | C5 | C4 | N3 | 0.0° | 0.2° |
| C6 | C5 | C4 | O4 | 179.0° | 179.8° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| C5 | C4 | N3 | O4 | 179.0° | 180.0° |
| C5 | C4 | O4 | C41 | 26.5° | 180.0° |
| C4 | C5 | C6 | H8 | 179.7° | 180.0° |
| O2 | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.7° | 180.0° |
| N3 | C4 | O4 | C41 | 154.5° | 0.0° |
| N3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | O4 | C41 | C42 | 166.2° | 180.0° |
| O4 | C4 | C5 | H5 | 1.0° | 0.0° |
| C4 | O4 | C41 | H13 | 45.9° | 60.0° |
| C4 | O4 | C41 | H14 | 73.6° | 60.0° |
| O4 | C41 | C42 | H13 | 120.2° | 120.0° |
| O4 | C41 | C42 | H14 | 120.2° | 120.0° |
| O4 | C41 | C42 | C43 | 47.6° | 180.0° |
| O4 | C41 | H13 | H14 | 119.3° | 120.1° |
| O4 | C41 | C42 | H15 | 167.7° | 60.0° |
| O4 | C41 | C42 | H16 | 72.6° | 59.9° |
| C41 | C42 | C43 | H15 | 120.1° | 120.0° |
| C41 | C42 | C43 | H16 | 120.2° | 120.0° |
| C42 | C41 | H13 | H14 | 119.3° | 120.0° |
| C41 | C42 | H15 | H16 | 119.5° | 120.0° |
| C41 | C42 | C43 | H17 | 180.0° | 60.0° |
| C41 | C42 | C43 | H18 | 60.0° | 60.0° |
| C41 | C42 | C43 | H19 | 60.0° | 179.9° |
| C43 | C42 | C41 | H13 | 72.6° | 60.0° |
| C43 | C42 | C41 | H14 | 167.8° | 60.0° |
| C43 | C42 | H15 | H16 | 119.5° | 120.0° |
| C42 | C43 | H17 | H18 | 120.0° | 120.0° |
| C42 | C43 | H17 | H19 | 120.0° | 120.0° |
| C42 | C43 | H18 | H19 | 120.0° | 119.9° |
| H1 | C1' | C2' | H2 | 97.2° | 160.2° |
| H2 | C2' | C3' | H3 | 43.4° | 21.5° |
| H2 | C2' | O2' | H9 | 53.7° | 56.4° |
| H3 | C3' | C4' | H4 | 169.8° | 123.9° |
| H3 | C3' | O3' | H10 | 58.8° | 61.0° |
| H4 | C4' | C5' | H6 | 136.1° | 66.1° |
| H4 | C4' | C5' | H7 | 16.7° | 174.0° |
| H5 | C5 | C6 | H8 | 0.4° | 0.1° |
| H12 | OP2 | P | OP3 | 121.4° | 60.0° |
| H13 | C41 | C42 | H15 | 47.5° | NaN° |
| H13 | C41 | C42 | H16 | 167.2° | 60.0° |
| H14 | C41 | C42 | H15 | 72.1° | 60.0° |
| H14 | C41 | C42 | H16 | 47.6° | 180.0° |
| H15 | C42 | C43 | H17 | 59.8° | 180.0° |
| H15 | C42 | C43 | H18 | 179.9° | 59.9° |
| H15 | C42 | C43 | H19 | 60.2° | 60.0° |
| H16 | C42 | C43 | H17 | 59.8° | 60.0° |
| H16 | C42 | C43 | H18 | 60.2° | 179.9° |
| H16 | C42 | C43 | H19 | 179.8° | 60.0° |
| H17 | C43 | H18 | H19 | 120.0° | 120.0° |
