XCR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | doub | 1.48Å | 1.47Å | |
| O5' | P | sing | 1.61Å | 1.57Å | |
| OP3 | P | sing | 1.61Å | 1.58Å | |
| P | OP1 | sing | 1.61Å | 1.47Å | |
| C2 | N1 | sing | 1.35Å | 1.41Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | |
| N1 | C1' | sing | 1.46Å | 1.53Å | |
| N3 | C2 | sing | 1.33Å | 1.36Å | |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | |
| N4 | C4 | sing | 1.38Å | 1.35Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | C7' | sing | 1.50Å | 1.51Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.53Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.53Å | 1.50Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C6' | C4' | sing | 1.50Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.49Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.40Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C7' | C6' | doub | 1.29Å | 1.33Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C7' | H7' | sing | 1.08Å | 1.08Å | |
| OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | O5' | 108.9° | 109.5° |
| OP2 | P | OP3 | 104.0° | 109.5° |
| OP2 | P | OP1 | 122.6° | 109.5° |
| O5' | P | OP3 | 106.7° | 109.5° |
| O5' | P | OP1 | 105.7° | 109.4° |
| P | O5' | C5' | 112.5° | 123.0° |
| OP3 | P | OP1 | 108.0° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | OP1 | HOP1 | 109.5° | 113.9° |
| C2 | N1 | C6 | 118.3° | 120.3° |
| C2 | N1 | C1' | 122.1° | 119.8° |
| N1 | C2 | N3 | 118.7° | 121.1° |
| N1 | C2 | O2 | 120.7° | 119.4° |
| C6 | N1 | C1' | 119.6° | 119.9° |
| N1 | C6 | C5 | 123.5° | 119.3° |
| N1 | C6 | H6 | 118.3° | 120.3° |
| N1 | C1' | C7' | 111.2° | 109.3° |
| N1 | C1' | C2' | 114.0° | 109.4° |
| N1 | C1' | H1' | 104.0° | 109.4° |
| N3 | C2 | O2 | 120.6° | 119.5° |
| C2 | N3 | C4 | 121.5° | 120.7° |
| N3 | C4 | N4 | 118.8° | 120.2° |
| N3 | C4 | C5 | 121.1° | 119.6° |
| N4 | C4 | C5 | 120.1° | 120.2° |
| C4 | N4 | HN4 | 120.0° | 120.0° |
| C4 | N4 | HN4A | 120.0° | 120.0° |
| C4 | C5 | C6 | 116.8° | 119.0° |
| C4 | C5 | H5 | 121.6° | 120.5° |
| HN4 | N4 | HN4A | 120.0° | 120.0° |
| C6 | C5 | H5 | 121.6° | 120.5° |
| C5 | C6 | H6 | 118.2° | 120.4° |
| C7' | C1' | C2' | 105.8° | 110.1° |
| C7' | C1' | H1' | 112.5° | 109.3° |
| C1' | C7' | C6' | 124.5° | 124.1° |
| C1' | C7' | H7' | 117.8° | 117.9° |
| C2' | C1' | H1' | 109.5° | 109.3° |
| C1' | C2' | C3' | 113.2° | 108.4° |
| C1' | C2' | H2' | 108.3° | 109.7° |
| C1' | C2' | H2'A | 108.3° | 109.7° |
| C3' | C2' | H2' | 108.3° | 109.6° |
| C3' | C2' | H2'A | 108.2° | 109.6° |
| C2' | C3' | C4' | 111.8° | 108.4° |
| C2' | C3' | O3' | 110.7° | 109.7° |
| C2' | C3' | H3' | 106.1° | 109.6° |
| H2' | C2' | H2'A | 110.6° | 109.8° |
| C4' | C3' | O3' | 106.4° | 109.6° |
| C4' | C3' | H3' | 110.4° | 109.6° |
| C3' | C4' | C6' | 111.8° | 110.2° |
| C3' | C4' | C5' | 108.8° | 109.4° |
| C3' | C4' | H4' | 108.7° | 109.3° |
| O3' | C3' | H3' | 111.5° | 109.9° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C6' | C4' | C5' | 110.6° | 109.4° |
| C6' | C4' | H4' | 106.8° | 109.3° |
| C4' | C6' | C7' | 125.4° | 124.1° |
| C4' | C6' | H6' | 117.3° | 117.9° |
| C5' | C4' | H4' | 109.9° | 109.3° |
| C4' | C5' | O5' | 108.8° | 109.5° |
| C4' | C5' | H5' | 109.7° | 109.5° |
| C4' | C5' | H5'A | 109.7° | 109.5° |
| O5' | C5' | H5' | 109.7° | 109.5° |
| O5' | C5' | H5'A | 109.7° | 109.4° |
| H5' | C5' | H5'A | 109.2° | 109.4° |
| C7' | C6' | H6' | 117.3° | 118.0° |
| C6' | C7' | H7' | 117.8° | 118.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | O5' | OP3 | 111.7° | 120.0° |
| OP2 | P | O5' | OP1 | 133.5° | 120.0° |
| OP2 | P | OP3 | OP1 | 131.7° | 120.0° |
| OP2 | P | O5' | C5' | 96.4° | 55.0° |
| OP2 | P | OP1 | HOP1 | 0.0° | 60.0° |
| OP2 | P | OP3 | HOP3 | 0.0° | 180.0° |
| O5' | P | OP3 | OP1 | 113.2° | 119.9° |
| P | O5' | C5' | C4' | 164.0° | 180.0° |
| P | O5' | C5' | H5' | 76.0° | 59.9° |
| P | O5' | C5' | H5'A | 44.0° | 60.0° |
| O5' | P | OP1 | HOP1 | 125.4° | 180.0° |
| O5' | P | OP3 | HOP3 | 115.1° | 60.0° |
| OP3 | P | O5' | C5' | 151.9° | 65.1° |
| OP3 | P | OP1 | HOP1 | 120.7° | 60.0° |
| OP1 | P | O5' | C5' | 37.1° | 175.0° |
| OP1 | P | OP3 | HOP3 | 131.7° | 60.0° |
| C2 | N1 | C6 | C1' | 179.9° | 179.8° |
| N1 | C2 | N3 | O2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.8° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| C2 | N1 | C6 | H6 | 179.7° | 179.7° |
| C2 | N1 | C1' | C7' | 153.2° | 129.7° |
| C2 | N1 | C1' | C2' | 87.2° | 109.6° |
| C2 | N1 | C1' | H1' | 32.0° | 10.0° |
| C6 | N1 | C2 | N3 | 0.7° | 0.1° |
| C6 | N1 | C2 | O2 | 179.3° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.7° |
| N1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | N1 | C1' | C7' | 26.6° | 50.1° |
| C6 | N1 | C1' | C2' | 92.9° | 70.6° |
| C6 | N1 | C1' | H1' | 147.9° | 169.8° |
| C1' | N1 | C2 | N3 | 179.4° | 179.7° |
| C1' | N1 | C2 | O2 | 0.6° | 0.2° |
| C1' | N1 | C6 | C5 | 179.8° | 179.8° |
| C1' | N1 | C6 | H6 | 0.2° | 0.1° |
| N1 | C1' | C7' | C2' | 124.3° | 120.2° |
| N1 | C1' | C7' | H1' | 116.1° | 119.7° |
| N1 | C1' | C2' | H1' | 116.0° | 119.7° |
| N1 | C1' | C2' | C3' | 70.3° | 70.7° |
| N1 | C1' | C2' | H2' | 169.6° | 169.6° |
| N1 | C1' | C2' | H2'A | 49.7° | 48.9° |
| N1 | C1' | C7' | C6' | 100.2° | 103.0° |
| N1 | C1' | C7' | H7' | 79.7° | 76.9° |
| C2 | N3 | C4 | N4 | 178.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.0° |
| O2 | C2 | N3 | C4 | 179.3° | 180.0° |
| N3 | C4 | N4 | C5 | 179.3° | 180.0° |
| N3 | C4 | N4 | HN4 | 0.0° | 0.1° |
| N3 | C4 | N4 | HN4A | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | N4 | HN4 | HN4A | 180.0° | 179.9° |
| N4 | C4 | C5 | C6 | 179.3° | 180.0° |
| N4 | C4 | C5 | H5 | 0.8° | 0.0° |
| C5 | C4 | N4 | HN4 | 179.3° | 180.0° |
| C5 | C4 | N4 | HN4A | 0.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| H5 | C5 | C6 | H6 | 0.0° | 0.3° |
| C7' | C1' | C2' | H1' | 121.5° | 120.1° |
| C7' | C1' | C2' | C3' | 52.2° | 49.5° |
| C7' | C1' | C2' | H2' | 67.8° | 70.2° |
| C7' | C1' | C2' | H2'A | 172.2° | 169.1° |
| C1' | C7' | C6' | C4' | 1.7° | 0.5° |
| C1' | C7' | C6' | H7' | 180.0° | 179.9° |
| C1' | C7' | C6' | H6' | 178.3° | 179.6° |
| C1' | C2' | C3' | H2' | 120.0° | 119.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 119.7° |
| C1' | C2' | H2' | H2'A | 118.5° | 120.6° |
| C1' | C2' | C3' | C4' | 60.9° | 67.4° |
| C1' | C2' | C3' | O3' | 179.3° | 172.9° |
| C1' | C2' | C3' | H3' | 59.6° | 52.2° |
| C2' | C1' | C7' | C6' | 24.1° | 17.2° |
| C2' | C1' | C7' | H7' | 155.9° | 162.9° |
| H1' | C1' | C2' | C3' | 173.7° | 169.6° |
| H1' | C1' | C2' | H2' | 53.6° | 49.9° |
| H1' | C1' | C2' | H2'A | 66.3° | 70.8° |
| H1' | C1' | C7' | C6' | 143.6° | 137.3° |
| H1' | C1' | C7' | H7' | 36.4° | 42.8° |
| C3' | C2' | H2' | H2'A | 118.5° | 120.4° |
| C2' | C3' | C4' | O3' | 121.0° | 119.7° |
| C2' | C3' | C4' | H3' | 117.8° | 119.6° |
| C2' | C3' | O3' | H3' | 117.9° | 120.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 60.0° |
| C2' | C3' | C4' | C6' | 34.2° | 49.4° |
| C2' | C3' | C4' | C5' | 156.8° | 169.7° |
| C2' | C3' | C4' | H4' | 83.5° | 70.7° |
| H2' | C2' | C3' | C4' | 59.2° | 52.3° |
| H2' | C2' | C3' | O3' | 59.3° | 67.4° |
| H2' | C2' | C3' | H3' | 179.6° | 171.9° |
| H2'A | C2' | C3' | C4' | 179.1° | 172.9° |
| H2'A | C2' | C3' | O3' | 60.7° | 53.2° |
| H2'A | C2' | C3' | H3' | 60.4° | 67.5° |
| C4' | C3' | O3' | H3' | 120.5° | 120.5° |
| C4' | C3' | O3' | HO3' | 58.3° | 179.0° |
| C3' | C4' | C6' | C5' | 121.5° | 120.3° |
| C3' | C4' | C6' | H4' | 118.8° | 120.1° |
| C3' | C4' | C5' | H4' | 119.0° | 119.6° |
| C3' | C4' | C5' | O5' | 118.7° | 175.0° |
| C3' | C4' | C5' | H5' | 121.3° | 54.9° |
| C3' | C4' | C5' | H5'A | 1.3° | 65.1° |
| C3' | C4' | C6' | C7' | 6.5° | 17.1° |
| C3' | C4' | C6' | H6' | 173.5° | 162.9° |
| O3' | C3' | C4' | C6' | 155.2° | 169.1° |
| O3' | C3' | C4' | C5' | 82.2° | 70.6° |
| O3' | C3' | C4' | H4' | 37.5° | 49.0° |
| H3' | C3' | O3' | HO3' | 62.2° | 60.5° |
| H3' | C3' | C4' | C6' | 83.6° | 70.2° |
| H3' | C3' | C4' | C5' | 38.9° | 50.1° |
| H3' | C3' | C4' | H4' | 158.7° | 169.7° |
| C6' | C4' | C5' | H4' | 117.8° | 119.6° |
| C6' | C4' | C5' | O5' | 4.5° | 64.3° |
| C6' | C4' | C5' | H5' | 115.5° | 175.7° |
| C6' | C4' | C5' | H5'A | 124.6° | 55.7° |
| C4' | C6' | C7' | H6' | 180.0° | 180.0° |
| C4' | C6' | C7' | H7' | 178.3° | 179.6° |
| C4' | C5' | O5' | H5' | 120.0° | 120.1° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.3° | 120.0° |
| C5' | C4' | C6' | C7' | 128.0° | 137.4° |
| C5' | C4' | C6' | H6' | 52.0° | 42.7° |
| H4' | C4' | C5' | O5' | 122.3° | 55.4° |
| H4' | C4' | C5' | H5' | 2.3° | 64.7° |
| H4' | C4' | C5' | H5'A | 117.7° | 175.3° |
| H4' | C4' | C6' | C7' | 112.4° | 103.0° |
| H4' | C4' | C6' | H6' | 67.6° | 77.0° |
| O5' | C5' | H5' | H5'A | 120.3° | 120.0° |
| H6' | C6' | C7' | H7' | 1.6° | 0.4° |
