XCL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.44Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.64Å | |
| P | OP3 | sing | 1.61Å | 1.42Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | C6' | sing | 1.50Å | 1.47Å | |
| C4' | C3' | sing | 1.53Å | 1.56Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C6' | C7' | doub | 1.29Å | 1.32Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C7' | C1' | sing | 1.50Å | 1.56Å | |
| C7' | H7' | sing | 1.08Å | 1.08Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.53Å | 1.57Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N1 | sing | 1.46Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C6 | C5 | doub | 1.35Å | 1.34Å | |
| C6 | N1 | sing | 1.36Å | 1.36Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.41Å | 1.43Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | N4 | sing | 1.38Å | 1.34Å | |
| C4 | N3 | doub | 1.33Å | 1.33Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| N3 | C2 | sing | 1.33Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N1 | sing | 1.34Å | 1.40Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.6° | 109.5° |
| OP1 | P | O5' | 110.0° | 109.5° |
| OP1 | P | OP3 | 100.6° | 109.5° |
| OP2 | P | O5' | 105.5° | 109.4° |
| OP2 | P | OP3 | 105.6° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 106.8° |
| O5' | P | OP3 | 116.0° | 109.4° |
| P | O5' | C5' | 128.1° | 106.8° |
| P | OP3 | HOP3 | 109.5° | 106.9° |
| O5' | C5' | C4' | 109.6° | 109.5° |
| O5' | C5' | H5' | 109.4° | 109.5° |
| O5' | C5' | H5'' | 109.4° | 109.5° |
| C4' | C5' | H5' | 109.4° | 109.5° |
| C4' | C5' | H5'' | 109.4° | 109.5° |
| C5' | C4' | C6' | 105.8° | 109.3° |
| C5' | C4' | C3' | 105.3° | 109.3° |
| C5' | C4' | H4' | 113.5° | 109.3° |
| H5' | C5' | H5'' | 109.6° | 109.5° |
| C6' | C4' | C3' | 106.7° | 110.2° |
| C6' | C4' | H4' | 112.2° | 109.4° |
| C4' | C6' | C7' | 126.1° | 124.0° |
| C4' | C6' | H6' | 117.0° | 118.0° |
| C3' | C4' | H4' | 112.7° | 109.4° |
| C4' | C3' | O3' | 100.9° | 109.8° |
| C4' | C3' | C2' | 108.6° | 108.4° |
| C4' | C3' | H3' | 116.1° | 109.7° |
| C7' | C6' | H6' | 116.9° | 118.0° |
| C6' | C7' | C1' | 121.3° | 124.3° |
| C6' | C7' | H7' | 119.4° | 118.0° |
| C1' | C7' | H7' | 119.3° | 117.8° |
| C7' | C1' | C2' | 105.8° | 110.0° |
| C7' | C1' | N1 | 121.8° | 109.4° |
| C7' | C1' | H1' | 104.5° | 109.4° |
| O3' | C3' | C2' | 111.6° | 109.6° |
| O3' | C3' | H3' | 113.4° | 109.6° |
| C3' | O3' | HO3' | 109.5° | 106.8° |
| C2' | C3' | H3' | 106.3° | 109.6° |
| C3' | C2' | C1' | 106.0° | 108.4° |
| C3' | C2' | H2' | 111.4° | 109.7° |
| C3' | C2' | H2'' | 110.6° | 109.6° |
| C1' | C2' | H2' | 111.4° | 109.6° |
| C1' | C2' | H2'' | 110.7° | 109.6° |
| C2' | C1' | N1 | 112.3° | 109.3° |
| C2' | C1' | H1' | 115.7° | 109.3° |
| H2' | C2' | H2'' | 106.8° | 109.8° |
| N1 | C1' | H1' | 96.7° | 109.4° |
| C1' | N1 | C6 | 121.0° | 119.8° |
| C1' | N1 | C2 | 118.3° | 119.8° |
| C5 | C6 | N1 | 121.6° | 119.2° |
| C5 | C6 | H6 | 119.2° | 120.4° |
| C6 | C5 | C4 | 116.9° | 119.0° |
| C6 | C5 | H5 | 121.6° | 120.5° |
| N1 | C6 | H6 | 119.2° | 120.4° |
| C6 | N1 | C2 | 120.7° | 120.4° |
| C4 | C5 | H5 | 121.5° | 120.5° |
| C5 | C4 | N4 | 120.2° | 120.2° |
| C5 | C4 | N3 | 121.3° | 119.6° |
| N4 | C4 | N3 | 118.5° | 120.2° |
| C4 | N4 | HN41 | 125.4° | 120.0° |
| C4 | N4 | HN42 | 109.3° | 120.1° |
| C4 | N3 | C2 | 121.8° | 120.7° |
| HN41 | N4 | HN42 | 125.3° | 120.0° |
| N3 | C2 | O2 | 121.2° | 119.4° |
| N3 | C2 | N1 | 117.7° | 121.1° |
| O2 | C2 | N1 | 121.0° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 124.5° | 120.0° |
| OP1 | P | OP2 | OP3 | 112.2° | 120.1° |
| OP1 | P | O5' | OP3 | 113.3° | 120.0° |
| OP1 | P | OP2 | HOP2 | 22.9° | 60.0° |
| OP1 | P | O5' | C5' | 46.8° | 55.0° |
| OP1 | P | OP3 | HOP3 | 10.6° | 180.0° |
| OP2 | P | O5' | OP3 | 116.4° | 120.0° |
| OP2 | P | O5' | C5' | 177.0° | 175.0° |
| OP2 | P | OP3 | HOP3 | 114.4° | 59.9° |
| O5' | P | OP2 | HOP2 | 101.6° | 180.0° |
| P | O5' | C5' | C4' | 173.5° | 180.0° |
| P | O5' | C5' | H5' | 66.6° | 60.0° |
| P | O5' | C5' | H5'' | 53.5° | 60.0° |
| O5' | P | OP3 | HOP3 | 129.2° | 60.0° |
| OP3 | P | OP2 | HOP2 | 135.1° | 60.1° |
| OP3 | P | O5' | C5' | 66.6° | 65.0° |
| O5' | C5' | C4' | H5' | 119.9° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.0° | 120.0° |
| O5' | C5' | H5' | H5'' | 119.9° | 120.0° |
| O5' | C5' | C4' | C6' | 61.9° | 64.4° |
| O5' | C5' | C4' | C3' | 50.9° | 175.0° |
| O5' | C5' | C4' | H4' | 174.6° | 55.2° |
| C4' | C5' | H5' | H5'' | 119.9° | 120.0° |
| C5' | C4' | C6' | C3' | 111.8° | 120.1° |
| C5' | C4' | C6' | H4' | 124.3° | 119.6° |
| C5' | C4' | C3' | H4' | 124.2° | 119.7° |
| C5' | C4' | C6' | C7' | 142.0° | 137.2° |
| C5' | C4' | C6' | H6' | 38.0° | 42.7° |
| C5' | C4' | C3' | O3' | 75.6° | 70.7° |
| C5' | C4' | C3' | C2' | 167.0° | 169.5° |
| C5' | C4' | C3' | H3' | 47.4° | 49.8° |
| H5' | C5' | C4' | C6' | 178.2° | 55.6° |
| H5' | C5' | C4' | C3' | 69.0° | 65.0° |
| H5' | C5' | C4' | H4' | 54.7° | 175.2° |
| H5'' | C5' | C4' | C6' | 58.1° | 175.6° |
| H5'' | C5' | C4' | C3' | 170.9° | 55.0° |
| H5'' | C5' | C4' | H4' | 65.4° | 64.8° |
| C6' | C4' | C3' | H4' | 123.6° | 120.2° |
| C4' | C6' | C7' | H6' | 180.0° | 179.9° |
| C4' | C6' | C7' | C1' | 21.7° | 0.4° |
| C4' | C6' | C7' | H7' | 158.3° | 179.5° |
| C6' | C4' | C3' | O3' | 172.2° | 169.2° |
| C6' | C4' | C3' | C2' | 54.8° | 49.5° |
| C6' | C4' | C3' | H3' | 64.8° | 70.2° |
| C3' | C4' | C6' | C7' | 30.1° | 17.1° |
| C3' | C4' | C6' | H6' | 149.8° | 162.8° |
| C4' | C3' | O3' | C2' | 115.2° | 119.0° |
| C4' | C3' | O3' | H3' | 124.9° | 120.6° |
| C4' | C3' | C2' | H3' | 125.6° | 119.7° |
| C4' | C3' | O3' | HO3' | 29.7° | 179.1° |
| C4' | C3' | C2' | C1' | 72.8° | 67.4° |
| C4' | C3' | C2' | H2' | 165.8° | 172.9° |
| C4' | C3' | C2' | H2'' | 47.2° | 52.2° |
| H4' | C4' | C6' | C7' | 93.8° | 103.2° |
| H4' | C4' | C6' | H6' | 86.3° | 76.9° |
| H4' | C4' | C3' | O3' | 48.6° | 49.0° |
| H4' | C4' | C3' | C2' | 68.8° | 70.8° |
| H4' | C4' | C3' | H3' | 171.6° | 169.5° |
| C6' | C7' | C1' | H7' | 180.0° | 179.9° |
| C6' | C7' | C1' | C2' | 33.9° | 17.0° |
| C6' | C7' | C1' | N1 | 95.8° | 103.1° |
| C6' | C7' | C1' | H1' | 156.6° | 137.1° |
| H6' | C6' | C7' | C1' | 158.3° | 179.6° |
| H6' | C6' | C7' | H7' | 21.7° | 0.6° |
| C7' | C1' | C2' | C3' | 57.9° | 49.3° |
| C7' | C1' | C2' | N1 | 135.1° | 120.1° |
| C7' | C1' | C2' | H1' | 115.2° | 120.2° |
| C7' | C1' | C2' | H2' | 179.2° | 169.1° |
| C7' | C1' | C2' | H2'' | 62.1° | 70.3° |
| C7' | C1' | N1 | H1' | 111.7° | 119.8° |
| C7' | C1' | N1 | C6 | 37.5° | 50.1° |
| C7' | C1' | N1 | C2 | 142.4° | 129.9° |
| H7' | C7' | C1' | C2' | 146.1° | 162.9° |
| H7' | C7' | C1' | N1 | 84.1° | 77.0° |
| H7' | C7' | C1' | H1' | 23.4° | 42.7° |
| O3' | C3' | C2' | H3' | 124.0° | 120.4° |
| O3' | C3' | C2' | C1' | 176.8° | 172.7° |
| O3' | C3' | C2' | H2' | 55.5° | 53.0° |
| O3' | C3' | C2' | H2'' | 63.2° | 67.7° |
| C2' | C3' | O3' | HO3' | 85.4° | 60.0° |
| C3' | C2' | C1' | H2' | 121.3° | 119.8° |
| C3' | C2' | C1' | H2'' | 120.0° | 119.7° |
| C3' | C2' | H2' | H2'' | 120.9° | 120.6° |
| C3' | C2' | C1' | N1 | 77.2° | 70.8° |
| C3' | C2' | C1' | H1' | 173.1° | 169.5° |
| H3' | C3' | O3' | HO3' | 154.6° | 60.4° |
| H3' | C3' | C2' | C1' | 52.8° | 52.3° |
| H3' | C3' | C2' | H2' | 68.5° | 67.4° |
| H3' | C3' | C2' | H2'' | 172.8° | 172.0° |
| C1' | C2' | H2' | H2'' | 120.9° | 120.5° |
| C2' | C1' | N1 | H1' | 121.4° | 119.7° |
| C2' | C1' | N1 | C6 | 89.4° | 70.4° |
| C2' | C1' | N1 | C2 | 90.7° | 109.6° |
| H2' | C2' | C1' | N1 | 44.1° | 49.0° |
| H2' | C2' | C1' | H1' | 65.6° | 70.8° |
| H2'' | C2' | C1' | N1 | 162.8° | 169.5° |
| H2'' | C2' | C1' | H1' | 53.1° | 49.8° |
| C1' | N1 | C6 | C5 | 180.0° | 179.7° |
| C1' | N1 | C6 | C2 | 179.9° | 180.0° |
| C1' | N1 | C6 | H6 | 0.0° | 0.0° |
| C1' | N1 | C2 | N3 | 179.9° | 179.9° |
| C1' | N1 | C2 | O2 | 0.0° | 0.1° |
| H1' | C1' | N1 | C6 | 149.3° | 169.9° |
| H1' | C1' | N1 | C2 | 30.7° | 10.1° |
| C5 | C6 | N1 | H6 | 180.0° | 179.7° |
| C6 | C5 | C4 | H5 | 180.0° | 179.4° |
| C6 | C5 | C4 | N4 | 180.0° | 179.7° |
| C6 | C5 | C4 | N3 | 0.0° | 0.6° |
| C5 | C6 | N1 | C2 | 0.0° | 0.3° |
| N1 | C6 | C5 | C4 | 0.0° | 0.6° |
| N1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| C6 | N1 | C2 | O2 | 180.0° | 179.9° |
| H6 | C6 | C5 | C4 | 179.9° | 179.7° |
| H6 | C6 | C5 | H5 | 0.1° | 0.3° |
| H6 | C6 | N1 | C2 | 180.0° | 180.0° |
| C5 | C4 | N4 | N3 | 180.0° | 179.6° |
| C5 | C4 | N4 | HN41 | 0.0° | 179.7° |
| C5 | C4 | N4 | HN42 | 180.0° | 0.6° |
| C5 | C4 | N3 | C2 | 0.1° | 0.4° |
| H5 | C5 | C4 | N4 | 0.0° | 0.4° |
| H5 | C5 | C4 | N3 | 180.0° | 180.0° |
| C4 | N4 | HN41 | HN42 | 180.0° | 179.8° |
| N4 | C4 | N3 | C2 | 179.9° | 180.0° |
| N3 | C4 | N4 | HN41 | 180.0° | 0.0° |
| N3 | C4 | N4 | HN42 | 0.0° | 179.8° |
| C4 | N3 | C2 | O2 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.1° | 0.1° |
| N3 | C2 | O2 | N1 | 179.9° | 179.9° |
