4PC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.51Å | |
| P | OP2 | sing | 1.62Å | 1.51Å | |
| P | O5' | sing | 1.62Å | 1.63Å | |
| P | OP3 | sing | 1.62Å | 9.75Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.55Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.52Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.43Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.51Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N1 | sing | 1.43Å | 1.47Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N1 | C2 | sing | 1.42Å | 1.41Å | |
| N1 | C6 | sing | 1.38Å | 1.39Å | |
| C2 | O2 | doub | 1.23Å | 1.23Å | |
| C2 | N3 | sing | 1.39Å | 1.39Å | |
| N3 | C4 | doub | 1.29Å | 1.28Å | |
| C4 | C5 | sing | 1.49Å | 1.48Å | |
| C4 | N17 | sing | 1.38Å | 1.37Å | |
| C5 | C6 | doub | 1.33Å | 1.32Å | |
| C5 | C14 | sing | 1.44Å | 1.44Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.35Å | 1.35Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C15 | N17 | sing | 1.39Å | 1.39Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| N17 | H17 | sing | 1.01Å | 1.00Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 121.3° | 115.3° |
| OP1 | P | O5' | 107.2° | 115.0° |
| OP1 | P | OP3 | 85.0° | 115.0° |
| OP2 | P | O5' | 108.5° | 103.7° |
| OP2 | P | OP3 | 142.0° | 103.3° |
| P | OP2 | HOP2 | 109.5° | 118.9° |
| O5' | P | OP3 | 33.6° | 102.9° |
| P | O5' | C5' | 118.6° | 118.5° |
| P | OP3 | HOP3 | 85.0° | 118.9° |
| O5' | C5' | C4' | 112.5° | 108.9° |
| O5' | C5' | H5' | 107.8° | 109.0° |
| O5' | C5' | H5'' | 108.5° | 108.9° |
| C4' | C5' | H5' | 107.8° | 110.3° |
| C4' | C5' | H5'' | 108.5° | 110.3° |
| C5' | C4' | O4' | 108.6° | 107.9° |
| C5' | C4' | C3' | 115.3° | 112.9° |
| C5' | C4' | H4' | 105.5° | 109.5° |
| H5' | C5' | H5'' | 111.8° | 109.3° |
| O4' | C4' | C3' | 107.7° | 106.2° |
| O4' | C4' | H4' | 113.5° | 107.9° |
| C4' | O4' | C1' | 107.8° | 109.3° |
| C3' | C4' | H4' | 106.5° | 112.2° |
| C4' | C3' | O3' | 110.7° | 109.9° |
| C4' | C3' | C2' | 103.1° | 103.1° |
| C4' | C3' | H3' | 112.0° | 113.5° |
| O4' | C1' | C2' | 106.9° | 107.4° |
| O4' | C1' | N1 | 109.9° | 109.3° |
| O4' | C1' | H1' | 112.6° | 108.0° |
| O3' | C3' | C2' | 106.8° | 109.7° |
| O3' | C3' | H3' | 108.5° | 107.4° |
| C3' | O3' | HO3' | 109.5° | 107.3° |
| C2' | C3' | H3' | 115.5° | 113.2° |
| C3' | C2' | C1' | 102.0° | 102.5° |
| C3' | C2' | H2' | 113.6° | 109.7° |
| C3' | C2' | H2'' | 112.0° | 114.1° |
| C1' | C2' | H2' | 113.6° | 110.6° |
| C1' | C2' | H2'' | 112.0° | 111.7° |
| C2' | C1' | N1 | 114.1° | 112.8° |
| C2' | C1' | H1' | 108.3° | 111.5° |
| H2' | C2' | H2'' | 103.9° | 108.3° |
| N1 | C1' | H1' | 105.2° | 107.8° |
| C1' | N1 | C2 | 119.1° | 120.9° |
| C1' | N1 | C6 | 119.4° | 117.5° |
| C2 | N1 | C6 | 121.5° | 121.6° |
| N1 | C2 | O2 | 122.5° | 121.3° |
| N1 | C2 | N3 | 119.4° | 118.8° |
| N1 | C6 | C5 | 119.8° | 119.9° |
| N1 | C6 | H6 | 120.1° | 117.4° |
| O2 | C2 | N3 | 118.0° | 119.9° |
| C2 | N3 | C4 | 117.1° | 118.5° |
| N3 | C4 | C5 | 125.8° | 124.2° |
| N3 | C4 | N17 | 129.4° | 131.0° |
| C5 | C4 | N17 | 104.8° | 104.8° |
| C4 | C5 | C6 | 116.2° | 117.0° |
| C4 | C5 | C14 | 107.1° | 106.9° |
| C4 | N17 | C15 | 110.9° | 110.4° |
| C4 | N17 | H17 | 124.6° | 127.3° |
| C6 | C5 | C14 | 136.7° | 136.1° |
| C5 | C6 | H6 | 120.1° | 122.7° |
| C5 | C14 | C15 | 106.9° | 107.0° |
| C5 | C14 | H14 | 126.5° | 125.7° |
| C15 | C14 | H14 | 126.5° | 127.3° |
| C14 | C15 | C16 | 128.2° | 127.6° |
| C14 | C15 | N17 | 110.4° | 110.9° |
| C16 | C15 | N17 | 121.4° | 121.4° |
| C15 | C16 | H161 | 109.4° | 110.3° |
| C15 | C16 | H162 | 109.5° | 110.3° |
| C15 | C16 | H163 | 109.5° | 110.3° |
| C15 | N17 | H17 | 124.6° | 122.3° |
| H161 | C16 | H162 | 109.5° | 108.8° |
| H161 | C16 | H163 | 109.4° | 108.7° |
| H162 | C16 | H163 | 109.5° | 108.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 124.6° | 126.6° |
| OP1 | P | OP2 | OP3 | 127.9° | 126.3° |
| OP1 | P | O5' | OP3 | 51.0° | 125.8° |
| OP1 | P | OP2 | HOP2 | 94.3° | 48.8° |
| OP1 | P | O5' | C5' | 178.4° | 179.9° |
| OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
| OP2 | P | O5' | OP3 | 176.3° | 107.4° |
| OP2 | P | O5' | C5' | 45.7° | 53.2° |
| OP2 | P | OP3 | HOP3 | 42.6° | 78.5° |
| O5' | P | OP2 | HOP2 | 30.3° | 175.4° |
| P | O5' | C5' | C4' | 179.7° | 180.0° |
| P | O5' | C5' | H5' | 61.6° | 59.6° |
| P | O5' | C5' | H5'' | 59.7° | 59.6° |
| O5' | P | OP3 | HOP3 | 48.2° | 173.8° |
| OP3 | P | OP2 | HOP2 | 33.6° | 77.5° |
| OP3 | P | O5' | C5' | 130.6° | 54.2° |
| O5' | C5' | C4' | H5' | 118.7° | 119.6° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.5° |
| O5' | C5' | H5' | H5'' | 119.2° | 119.0° |
| O5' | C5' | C4' | O4' | 51.9° | 62.4° |
| O5' | C5' | C4' | C3' | 69.0° | 179.5° |
| O5' | C5' | C4' | H4' | 173.8° | 54.7° |
| C4' | C5' | H5' | H5'' | 119.2° | 121.5° |
| C5' | C4' | O4' | C3' | 125.5° | 121.4° |
| C5' | C4' | O4' | H4' | 116.9° | 118.2° |
| C5' | C4' | C3' | H4' | 116.6° | 124.3° |
| C5' | C4' | O4' | C1' | 124.5° | 108.6° |
| C5' | C4' | C3' | O3' | 146.9° | 154.2° |
| C5' | C4' | C3' | C2' | 99.1° | 88.8° |
| C5' | C4' | C3' | H3' | 25.7° | 34.0° |
| H5' | C5' | C4' | O4' | 66.8° | 57.1° |
| H5' | C5' | C4' | C3' | 172.3° | 60.0° |
| H5' | C5' | C4' | H4' | 55.1° | 174.3° |
| H5'' | C5' | C4' | O4' | 171.9° | 178.1° |
| H5'' | C5' | C4' | C3' | 51.0° | 61.0° |
| H5'' | C5' | C4' | H4' | 66.2° | 64.8° |
| O4' | C4' | C3' | H4' | 122.0° | 117.6° |
| O4' | C4' | C3' | O3' | 91.7° | 87.7° |
| O4' | C4' | C3' | C2' | 22.3° | 29.2° |
| O4' | C4' | C3' | H3' | 147.1° | 152.1° |
| C4' | O4' | C1' | C2' | 20.8° | 9.0° |
| C4' | O4' | C1' | N1 | 145.0° | 131.7° |
| C4' | O4' | C1' | H1' | 98.1° | 111.3° |
| C3' | C4' | O4' | C1' | 1.0° | 12.7° |
| C4' | C3' | O3' | C2' | 111.6° | 112.7° |
| C4' | C3' | O3' | H3' | 123.3° | 123.9° |
| C4' | C3' | C2' | H3' | 122.5° | 123.0° |
| C4' | C3' | O3' | HO3' | 7.4° | 115.7° |
| C4' | C3' | C2' | C1' | 33.2° | 33.4° |
| C4' | C3' | C2' | H2' | 155.9° | 84.1° |
| C4' | C3' | C2' | H2'' | 86.8° | 154.3° |
| H4' | C4' | O4' | C1' | 118.6° | 133.2° |
| H4' | C4' | C3' | O3' | 30.3° | 29.9° |
| H4' | C4' | C3' | C2' | 144.3° | 146.9° |
| H4' | C4' | C3' | H3' | 90.9° | 90.3° |
| O4' | C1' | C2' | C3' | 34.2° | 26.9° |
| O4' | C1' | C2' | N1 | 121.6° | 120.5° |
| O4' | C1' | C2' | H1' | 121.6° | 118.1° |
| O4' | C1' | C2' | H2' | 156.9° | 90.0° |
| O4' | C1' | C2' | H2'' | 85.7° | 149.4° |
| O4' | C1' | N1 | H1' | 121.5° | 117.1° |
| O4' | C1' | N1 | C2 | 116.7° | 147.3° |
| O4' | C1' | N1 | C6 | 63.5° | 32.9° |
| O3' | C3' | C2' | H3' | 120.8° | 119.9° |
| O3' | C3' | C2' | C1' | 83.5° | 83.6° |
| O3' | C3' | C2' | H2' | 39.1° | 158.9° |
| O3' | C3' | C2' | H2'' | 156.5° | 37.2° |
| C2' | C3' | O3' | HO3' | 119.0° | 131.6° |
| C3' | C2' | C1' | H2' | 122.7° | 116.9° |
| C3' | C2' | C1' | H2'' | 120.0° | 122.5° |
| C3' | C2' | H2' | H2'' | 122.0° | 125.1° |
| C3' | C2' | C1' | N1 | 155.9° | 147.4° |
| C3' | C2' | C1' | H1' | 87.4° | 91.2° |
| H3' | C3' | O3' | HO3' | 115.8° | 8.2° |
| H3' | C3' | C2' | C1' | 155.7° | 156.4° |
| H3' | C3' | C2' | H2' | 81.7° | 38.9° |
| H3' | C3' | C2' | H2'' | 35.7° | 82.7° |
| C1' | C2' | H2' | H2'' | 122.0° | 122.7° |
| C2' | C1' | N1 | H1' | 118.5° | 123.5° |
| C2' | C1' | N1 | C2 | 123.3° | 93.3° |
| C2' | C1' | N1 | C6 | 56.5° | 86.5° |
| H2' | C2' | C1' | N1 | 81.5° | 30.6° |
| H2' | C2' | C1' | H1' | 35.3° | 151.9° |
| H2'' | C2' | C1' | N1 | 35.9° | 90.1° |
| H2'' | C2' | C1' | H1' | 152.7° | 31.3° |
| C1' | N1 | C2 | C6 | 179.8° | 179.8° |
| C1' | N1 | C2 | O2 | 3.9° | 0.0° |
| C1' | N1 | C2 | N3 | 175.4° | 180.0° |
| C1' | N1 | C6 | C5 | 176.1° | 179.9° |
| C1' | N1 | C6 | H6 | 3.9° | 0.1° |
| H1' | C1' | N1 | C2 | 4.8° | 30.2° |
| H1' | C1' | N1 | C6 | 175.0° | 150.0° |
| N1 | C2 | O2 | N3 | 179.2° | 180.0° |
| N1 | C2 | N3 | C4 | 2.1° | 0.1° |
| C2 | N1 | C6 | C5 | 3.7° | 0.1° |
| C2 | N1 | C6 | H6 | 176.3° | 179.9° |
| C6 | N1 | C2 | O2 | 176.3° | 179.8° |
| C6 | N1 | C2 | N3 | 4.4° | 0.1° |
| N1 | C6 | C5 | C4 | 0.8° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C14 | 177.5° | 179.9° |
| O2 | C2 | N3 | C4 | 178.6° | 179.9° |
| C2 | N3 | C4 | C5 | 0.8° | 0.1° |
| C2 | N3 | C4 | N17 | 178.9° | 179.9° |
| N3 | C4 | C5 | N17 | 179.7° | 179.9° |
| N3 | C4 | C5 | C6 | 1.6° | 0.1° |
| N3 | C4 | C5 | C14 | 179.7° | 180.0° |
| N3 | C4 | N17 | C15 | 179.8° | 179.9° |
| N3 | C4 | N17 | H17 | 0.2° | 0.0° |
| C4 | C5 | C6 | C14 | 178.3° | 179.9° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C4 | C5 | C14 | C15 | 0.9° | 0.1° |
| C4 | C5 | C14 | H14 | 179.1° | 180.0° |
| C5 | C4 | N17 | C15 | 0.1° | 0.0° |
| C5 | C4 | N17 | H17 | 179.9° | 179.9° |
| N17 | C4 | C5 | C6 | 178.2° | 180.0° |
| N17 | C4 | C5 | C14 | 0.6° | 0.0° |
| C4 | N17 | C15 | C14 | 0.5° | 0.0° |
| C4 | N17 | C15 | C16 | 178.6° | 179.9° |
| C4 | N17 | C15 | H17 | 180.0° | 179.9° |
| C6 | C5 | C14 | C15 | 177.5° | 180.0° |
| C6 | C5 | C14 | H14 | 2.5° | 0.1° |
| C14 | C5 | C6 | H6 | 2.5° | 0.1° |
| C5 | C14 | C15 | H14 | 180.0° | 179.9° |
| C5 | C14 | C15 | C16 | 178.2° | 179.9° |
| C5 | C14 | C15 | N17 | 0.8° | 0.1° |
| C14 | C15 | C16 | N17 | 179.0° | 180.0° |
| C14 | C15 | C16 | H161 | 24.9° | 55.8° |
| C14 | C15 | C16 | H162 | 144.9° | 176.0° |
| C14 | C15 | C16 | H163 | 95.1° | 64.3° |
| C14 | C15 | N17 | H17 | 179.5° | 179.9° |
| H14 | C14 | C15 | C16 | 1.8° | 0.0° |
| H14 | C14 | C15 | N17 | 179.2° | 180.0° |
| C15 | C16 | H161 | H162 | 120.0° | 121.1° |
| C15 | C16 | H161 | H163 | 120.0° | 121.1° |
| C15 | C16 | H162 | H163 | 120.0° | 120.9° |
| C16 | C15 | N17 | H17 | 1.4° | 0.1° |
| N17 | C15 | C16 | H161 | 156.2° | 124.2° |
| N17 | C15 | C16 | H162 | 36.1° | 4.0° |
| N17 | C15 | C16 | H163 | 83.9° | 115.7° |
| H161 | C16 | H162 | H163 | 120.0° | 118.0° |
