CCC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PC | O1C | doub | 1.48Å | 1.49Å | |
| PC | O2C | sing | 1.61Å | 1.48Å | |
| PC | O3' | sing | 1.63Å | 1.61Å | |
| PC | O2' | sing | 1.63Å | 1.61Å | |
| O2C | HOC2 | sing | 0.97Å | 0.95Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.44Å | 1.42Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.45Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | |
| C4 | N4 | sing | 1.38Å | 1.34Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| N4 | H41 | sing | 0.97Å | 1.02Å | |
| N4 | H42 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1C | PC | O2C | 108.8° | 112.3° |
| O1C | PC | O3' | 109.2° | 110.9° |
| O1C | PC | O2' | 109.2° | 110.9° |
| O2C | PC | O3' | 109.0° | 110.9° |
| O2C | PC | O2' | 108.9° | 110.9° |
| PC | O2C | HOC2 | 108.8° | 106.8° |
| O3' | PC | O2' | 111.7° | 100.4° |
| PC | O3' | C3' | 99.2° | 103.3° |
| PC | O2' | C2' | 97.3° | 103.4° |
| OP1 | P | OP2 | 119.6° | 109.4° |
| OP1 | P | OP3 | 108.0° | 109.4° |
| OP1 | P | O5' | 108.7° | 109.5° |
| OP2 | P | OP3 | 107.1° | 109.4° |
| OP2 | P | O5' | 108.1° | 109.5° |
| P | OP2 | HOP2 | 119.6° | 106.8° |
| OP3 | P | O5' | 104.3° | 109.5° |
| P | OP3 | HOP3 | 108.0° | 106.8° |
| P | O5' | C5' | 120.6° | 106.8° |
| O5' | C5' | C4' | 110.5° | 109.5° |
| O5' | C5' | H5' | 111.8° | 109.5° |
| O5' | C5' | H5'' | 111.9° | 109.6° |
| C4' | C5' | H5' | 111.8° | 109.4° |
| C4' | C5' | H5'' | 111.8° | 109.4° |
| C5' | C4' | O4' | 109.2° | 110.4° |
| C5' | C4' | C3' | 116.5° | 110.5° |
| C5' | C4' | H4' | 103.3° | 110.3° |
| H5' | C5' | H5'' | 98.5° | 109.5° |
| O4' | C4' | C3' | 103.9° | 104.8° |
| O4' | C4' | H4' | 115.9° | 110.4° |
| C4' | O4' | C1' | 109.5° | 105.3° |
| C3' | C4' | H4' | 108.6° | 110.4° |
| C4' | C3' | O3' | 110.9° | 108.8° |
| C4' | C3' | C2' | 102.3° | 104.1° |
| C4' | C3' | H3' | 113.2° | 111.3° |
| O4' | C1' | C2' | 107.9° | 104.9° |
| O4' | C1' | N1 | 108.6° | 110.4° |
| O4' | C1' | H1' | 112.8° | 110.4° |
| O3' | C3' | C2' | 109.8° | 110.0° |
| O3' | C3' | H3' | 106.3° | 111.1° |
| C2' | C3' | H3' | 114.3° | 111.3° |
| C3' | C2' | O2' | 112.4° | 109.0° |
| C3' | C2' | C1' | 101.8° | 104.0° |
| C3' | C2' | H2' | 112.7° | 112.4° |
| O2' | C2' | C1' | 109.9° | 109.0° |
| O2' | C2' | H2' | 105.1° | 111.2° |
| C1' | C2' | H2' | 115.1° | 111.0° |
| C2' | C1' | N1 | 114.1° | 110.4° |
| C2' | C1' | H1' | 107.2° | 110.4° |
| N1 | C1' | H1' | 106.5° | 110.3° |
| C1' | N1 | C2 | 118.3° | 119.8° |
| C1' | N1 | C6 | 121.3° | 119.8° |
| C2 | N1 | C6 | 120.3° | 120.3° |
| N1 | C2 | O2 | 118.6° | 119.5° |
| N1 | C2 | N3 | 119.5° | 121.0° |
| N1 | C6 | C5 | 120.9° | 119.3° |
| N1 | C6 | H6 | 120.4° | 120.3° |
| O2 | C2 | N3 | 121.8° | 119.5° |
| C2 | N3 | C4 | 120.0° | 120.8° |
| N3 | C4 | N4 | 117.7° | 120.2° |
| N3 | C4 | C5 | 121.9° | 119.6° |
| N4 | C4 | C5 | 120.4° | 120.2° |
| C4 | N4 | H41 | 117.7° | 120.0° |
| C4 | N4 | H42 | 109.2° | 120.0° |
| C4 | C5 | C6 | 117.3° | 119.0° |
| C4 | C5 | H5 | 124.2° | 120.5° |
| H41 | N4 | H42 | 109.2° | 119.9° |
| C6 | C5 | H5 | 118.5° | 120.5° |
| C5 | C6 | H6 | 118.7° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1C | PC | O2C | O3' | 118.9° | 124.6° |
| O1C | PC | O2C | O2' | 119.0° | 124.7° |
| O1C | PC | O3' | O2' | 120.9° | 117.3° |
| O1C | PC | O2C | HOC2 | 180.0° | 55.3° |
| O1C | PC | O3' | C3' | 115.9° | 152.1° |
| O1C | PC | O2' | C2' | 134.5° | 152.4° |
| O2C | PC | O3' | O2' | 120.4° | 117.2° |
| O2C | PC | O3' | C3' | 125.5° | 82.4° |
| O2C | PC | O2' | C2' | 106.9° | 82.1° |
| O3' | PC | O2C | HOC2 | 61.1° | 180.0° |
| PC | O3' | C3' | C4' | 91.2° | 136.0° |
| PC | O3' | C3' | C2' | 21.2° | 22.6° |
| PC | O3' | C3' | H3' | 145.3° | 101.1° |
| O3' | PC | O2' | C2' | 13.6° | 35.1° |
| O2' | PC | O2C | HOC2 | 61.0° | 69.4° |
| O2' | PC | O3' | C3' | 5.0° | 34.8° |
| PC | O2' | C2' | C3' | 27.2° | 23.2° |
| PC | O2' | C2' | C1' | 139.8° | 136.1° |
| PC | O2' | C2' | H2' | 95.8° | 101.2° |
| OP1 | P | OP2 | OP3 | 123.1° | 119.9° |
| OP1 | P | OP2 | O5' | 125.0° | 120.0° |
| OP1 | P | OP3 | O5' | 115.5° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 174.7° | 60.0° |
| OP2 | P | OP3 | O5' | 114.4° | 120.1° |
| OP2 | P | OP3 | HOP3 | 50.0° | 60.1° |
| OP2 | P | O5' | C5' | 43.5° | 180.0° |
| OP3 | P | OP2 | HOP2 | 56.9° | 60.0° |
| OP3 | P | O5' | C5' | 70.2° | 60.0° |
| O5' | P | OP2 | HOP2 | 55.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 64.4° | 60.0° |
| P | O5' | C5' | C4' | 178.4° | 180.0° |
| P | O5' | C5' | H5' | 53.1° | 60.1° |
| P | O5' | C5' | H5'' | 56.3° | 60.0° |
| O5' | C5' | C4' | H5' | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 125.3° | 120.1° |
| O5' | C5' | H5' | H5'' | 117.8° | 120.1° |
| O5' | C5' | C4' | O4' | 61.7° | 61.5° |
| O5' | C5' | C4' | C3' | 55.5° | 176.9° |
| O5' | C5' | C4' | H4' | 174.4° | 60.8° |
| C4' | C5' | H5' | H5'' | 117.7° | 119.9° |
| C5' | C4' | O4' | C3' | 124.9° | 119.0° |
| C5' | C4' | O4' | H4' | 116.1° | 122.2° |
| C5' | C4' | C3' | H4' | 116.0° | 122.3° |
| C5' | C4' | O4' | C1' | 150.1° | 159.4° |
| C5' | C4' | C3' | O3' | 85.6° | 99.8° |
| C5' | C4' | C3' | C2' | 157.4° | 142.9° |
| C5' | C4' | C3' | H3' | 33.9° | 23.0° |
| H5' | C5' | C4' | O4' | 173.0° | 178.5° |
| H5' | C5' | C4' | C3' | 69.8° | 63.1° |
| H5' | C5' | C4' | H4' | 49.1° | 59.2° |
| H5'' | C5' | C4' | O4' | 63.6° | 58.6° |
| H5'' | C5' | C4' | C3' | 179.2° | 56.9° |
| H5'' | C5' | C4' | H4' | 60.4° | 179.2° |
| O4' | C4' | C3' | H4' | 123.9° | 118.8° |
| O4' | C4' | C3' | O3' | 154.4° | 141.3° |
| O4' | C4' | C3' | C2' | 37.4° | 24.0° |
| O4' | C4' | C3' | H3' | 86.2° | 95.9° |
| C4' | O4' | C1' | C2' | 2.6° | 40.5° |
| C4' | O4' | C1' | N1 | 126.7° | 159.3° |
| C4' | O4' | C1' | H1' | 115.5° | 78.5° |
| C3' | C4' | O4' | C1' | 25.2° | 40.5° |
| C4' | C3' | O3' | C2' | 112.4° | 113.5° |
| C4' | C3' | O3' | H3' | 123.5° | 122.8° |
| C4' | C3' | C2' | H3' | 122.8° | 119.9° |
| C4' | C3' | C2' | O2' | 82.7° | 116.0° |
| C4' | C3' | C2' | C1' | 34.8° | 0.1° |
| C4' | C3' | C2' | H2' | 158.8° | 120.3° |
| H4' | C4' | O4' | C1' | 93.8° | 78.3° |
| H4' | C4' | C3' | O3' | 30.4° | 22.5° |
| H4' | C4' | C3' | C2' | 86.6° | 94.8° |
| H4' | C4' | C3' | H3' | 149.9° | 145.2° |
| O4' | C1' | C2' | C3' | 20.8° | 23.9° |
| O4' | C1' | C2' | O2' | 98.5° | 140.0° |
| O4' | C1' | C2' | N1 | 120.7° | 118.9° |
| O4' | C1' | C2' | H1' | 121.7° | 118.9° |
| O4' | C1' | C2' | H2' | 143.1° | 97.2° |
| O4' | C1' | N1 | H1' | 121.7° | 122.3° |
| O4' | C1' | N1 | C2 | 150.5° | 57.0° |
| O4' | C1' | N1 | C6 | 28.7° | 123.0° |
| O3' | C3' | C2' | H3' | 119.4° | 123.6° |
| O3' | C3' | C2' | O2' | 35.1° | 0.5° |
| O3' | C3' | C2' | C1' | 152.6° | 116.6° |
| O3' | C3' | C2' | H2' | 83.4° | 123.3° |
| C3' | C2' | O2' | C1' | 112.6° | 112.9° |
| C3' | C2' | O2' | H2' | 123.0° | 124.4° |
| C3' | C2' | C1' | H2' | 122.3° | 121.0° |
| C3' | C2' | C1' | N1 | 99.9° | 142.7° |
| C3' | C2' | C1' | H1' | 142.5° | 95.1° |
| H3' | C3' | C2' | O2' | 154.5° | 124.0° |
| H3' | C3' | C2' | C1' | 88.0° | 119.8° |
| H3' | C3' | C2' | H2' | 35.9° | 0.3° |
| O2' | C2' | C1' | H2' | 118.4° | 122.9° |
| O2' | C2' | C1' | N1 | 140.8° | 101.2° |
| O2' | C2' | C1' | H1' | 23.2° | 21.0° |
| C2' | C1' | N1 | H1' | 118.0° | 122.3° |
| C2' | C1' | N1 | C2 | 89.2° | 58.5° |
| C2' | C1' | N1 | C6 | 91.5° | 121.5° |
| H2' | C2' | C1' | N1 | 22.4° | 21.7° |
| H2' | C2' | C1' | H1' | 95.2° | 143.9° |
| C1' | N1 | C2 | C6 | 179.3° | 180.0° |
| C1' | N1 | C2 | O2 | 2.8° | 0.0° |
| C1' | N1 | C2 | N3 | 177.5° | 180.0° |
| C1' | N1 | C6 | C5 | 178.0° | 179.7° |
| C1' | N1 | C6 | H6 | 2.1° | 0.0° |
| H1' | C1' | N1 | C2 | 28.8° | 179.3° |
| H1' | C1' | N1 | C6 | 150.5° | 0.8° |
| N1 | C2 | O2 | N3 | 179.7° | 180.0° |
| N1 | C2 | N3 | C4 | 0.9° | 0.0° |
| C2 | N1 | C6 | C5 | 1.3° | 0.3° |
| C2 | N1 | C6 | H6 | 178.7° | 180.0° |
| C6 | N1 | C2 | O2 | 177.9° | 180.0° |
| C6 | N1 | C2 | N3 | 1.8° | 0.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.6° |
| N1 | C6 | C5 | H6 | 180.0° | 179.7° |
| N1 | C6 | C5 | H5 | 179.9° | 180.0° |
| O2 | C2 | N3 | C4 | 178.8° | 180.0° |
| C2 | N3 | C4 | N4 | 179.5° | 180.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.3° |
| N3 | C4 | N4 | C5 | 179.8° | 179.8° |
| N3 | C4 | N4 | H41 | 180.0° | 0.1° |
| N3 | C4 | N4 | H42 | 54.7° | 179.8° |
| N3 | C4 | C5 | C6 | 0.8° | 0.5° |
| N3 | C4 | C5 | H5 | 179.2° | 179.9° |
| C4 | N4 | H41 | H42 | 125.3° | 179.8° |
| N4 | C4 | C5 | C6 | 179.0° | 179.7° |
| N4 | C4 | C5 | H5 | 1.0° | 0.3° |
| C5 | C4 | N4 | H41 | 0.2° | 179.7° |
| C5 | C4 | N4 | H42 | 125.1° | 0.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.4° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| H5 | C5 | C6 | H6 | 0.1° | 0.3° |
