XC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4' | C3' | sing | 1.55Å | 1.55Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| O1P | P | doub | 1.48Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.58Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | P | sing | 1.61Å | 1.58Å | |
| O2P | P | sing | 1.61Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | N1 | sing | 1.46Å | 1.51Å | |
| O2 | C2 | doub | 1.22Å | 1.27Å | |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | sing | 1.47Å | 1.41Å | |
| C2 | N3 | sing | 1.34Å | 1.33Å | |
| C6 | C5 | sing | 1.53Å | 1.35Å | |
| N3 | C4 | doub | 1.31Å | 1.31Å | |
| C4 | C5 | sing | 1.51Å | 1.40Å | |
| C4 | N4 | sing | 1.35Å | 1.31Å | |
| P | O1 | sing | 1.61Å | 1.60Å | |
| O2P | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| O3' | H4 | sing | 0.97Å | 0.95Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3' | C4' | C5' | 111.6° | 110.4° |
| C3' | C4' | O4' | 104.6° | 104.8° |
| C4' | C3' | C2' | 104.4° | 104.0° |
| C4' | C3' | O3' | 111.3° | 110.5° |
| C3' | C4' | H4' | 110.5° | 110.4° |
| C4' | C3' | H3' | 110.8° | 110.5° |
| C5' | C4' | O4' | 107.4° | 110.4° |
| C4' | C5' | O5' | 109.7° | 109.5° |
| C4' | C5' | H5'2 | 109.4° | 109.4° |
| C4' | C5' | H5'1 | 109.4° | 109.5° |
| C5' | C4' | H4' | 110.5° | 110.3° |
| C4' | O4' | C1' | 108.4° | 105.3° |
| O4' | C4' | H4' | 112.0° | 110.5° |
| C2' | C3' | O3' | 106.7° | 110.5° |
| C3' | C2' | C1' | 104.1° | 104.1° |
| C2' | C3' | H3' | 110.9° | 110.6° |
| C3' | C2' | H2'2 | 110.8° | 110.5° |
| C3' | C2' | H2'1 | 110.8° | 110.5° |
| O3' | C3' | H3' | 112.4° | 110.6° |
| C3' | O3' | H4 | 109.5° | 114.0° |
| O1P | P | O5' | 105.8° | 109.5° |
| O1P | P | O2P | 121.7° | 109.4° |
| O1P | P | O1 | 107.3° | 109.4° |
| C2' | C1' | O4' | 106.5° | 104.8° |
| C2' | C1' | N1 | 118.4° | 110.3° |
| C2' | C1' | H1' | 107.6° | 110.5° |
| C1' | C2' | H2'2 | 110.8° | 110.5° |
| C1' | C2' | H2'1 | 110.8° | 110.5° |
| C5' | O5' | P | 123.2° | 123.0° |
| O5' | C5' | H5'2 | 109.4° | 109.5° |
| O5' | C5' | H5'1 | 109.4° | 109.5° |
| O5' | P | O2P | 109.7° | 109.5° |
| O5' | P | O1 | 101.5° | 109.5° |
| O2P | P | O1 | 109.0° | 109.5° |
| P | O2P | H1 | 109.5° | 113.9° |
| O4' | C1' | N1 | 106.5° | 110.4° |
| O4' | C1' | H1' | 109.3° | 110.4° |
| C1' | N1 | C2 | 122.2° | 119.8° |
| C1' | N1 | C6 | 121.3° | 119.8° |
| N1 | C1' | H1' | 108.4° | 110.3° |
| O2 | C2 | N1 | 122.0° | 119.3° |
| O2 | C2 | N3 | 113.0° | 119.3° |
| C2 | N1 | C6 | 115.9° | 120.3° |
| N1 | C2 | N3 | 123.9° | 121.4° |
| N1 | C6 | C5 | 120.3° | 109.2° |
| N1 | C6 | H6 | 106.7° | 109.5° |
| N1 | C6 | H2 | 106.7° | 109.5° |
| C2 | N3 | C4 | 118.4° | 121.5° |
| C6 | C5 | C4 | 118.5° | 109.3° |
| C5 | C6 | H6 | 106.7° | 109.5° |
| C5 | C6 | H2 | 106.7° | 109.5° |
| C6 | C5 | H3 | 107.1° | 109.5° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| N3 | C4 | C5 | 122.9° | 120.5° |
| N3 | C4 | N4 | 115.1° | 119.8° |
| C5 | C4 | N4 | 122.0° | 119.8° |
| C4 | C5 | H3 | 107.2° | 109.5° |
| C4 | C5 | H5 | 107.2° | 109.6° |
| C4 | N4 | H41 | 120.0° | 120.0° |
| C4 | N4 | H42 | 120.0° | 120.0° |
| P | O1 | H7 | 109.5° | 114.0° |
| H5'2 | C5' | H5'1 | 109.5° | 109.5° |
| H6 | C6 | H2 | 109.5° | 109.6° |
| H3 | C5 | H5 | 109.5° | 109.5° |
| H41 | N4 | H42 | 120.0° | 120.0° |
| H2'2 | C2' | H2'1 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3' | C4' | C5' | O4' | 114.2° | 115.4° |
| C3' | C4' | C5' | H4' | 123.3° | 122.2° |
| C3' | C4' | O4' | H4' | 119.7° | 118.9° |
| C4' | C3' | C2' | O3' | 118.0° | 118.6° |
| C4' | C3' | C2' | H3' | 119.3° | 118.6° |
| C4' | C3' | O3' | H3' | 125.0° | 122.6° |
| C4' | C3' | C2' | C1' | 14.4° | 0.1° |
| C3' | C4' | C5' | O5' | 166.9° | 175.0° |
| C3' | C4' | O4' | C1' | 36.0° | 40.5° |
| C3' | C4' | C5' | H5'2 | 46.8° | 65.0° |
| C3' | C4' | C5' | H5'1 | 73.0° | 54.9° |
| C4' | C3' | C2' | H2'2 | 133.6° | 118.7° |
| C4' | C3' | C2' | H2'1 | 104.7° | 118.6° |
| C4' | C3' | O3' | H4 | 180.0° | 180.0° |
| C5' | C4' | O4' | H4' | 121.6° | 122.2° |
| C5' | C4' | C3' | C2' | 146.4° | 142.8° |
| C5' | C4' | C3' | O3' | 31.7° | 24.2° |
| C4' | C5' | O5' | H5'2 | 120.0° | 119.9° |
| C4' | C5' | O5' | H5'1 | 120.0° | 120.0° |
| C4' | C5' | O5' | P | 178.9° | 180.0° |
| C5' | C4' | O4' | C1' | 154.8° | 159.4° |
| C4' | C5' | H5'2 | H5'1 | 119.8° | 119.9° |
| C5' | C4' | C3' | H3' | 94.2° | 98.5° |
| O4' | C4' | C3' | C2' | 30.6° | 23.9° |
| O4' | C4' | C3' | O3' | 84.2° | 94.7° |
| C4' | O4' | C1' | C2' | 26.6° | 40.5° |
| O4' | C4' | C5' | O5' | 79.0° | 69.6° |
| C4' | O4' | C1' | N1 | 153.9° | 159.3° |
| O4' | C4' | C5' | H5'2 | 161.0° | 50.4° |
| O4' | C4' | C5' | H5'1 | 41.1° | 170.4° |
| C4' | O4' | C1' | H1' | 89.3° | 78.4° |
| O4' | C4' | C3' | H3' | 149.9° | 142.6° |
| C2' | C3' | O3' | H3' | 121.7° | 122.8° |
| C3' | C2' | C1' | H2'2 | 119.1° | 118.6° |
| C3' | C2' | C1' | H2'1 | 119.1° | 118.7° |
| C3' | C2' | C1' | O4' | 6.2° | 24.0° |
| C3' | C2' | C1' | N1 | 126.0° | 142.9° |
| C2' | C3' | C4' | H4' | 90.2° | 95.0° |
| C3' | C2' | C1' | H1' | 110.8° | 94.9° |
| C3' | C2' | H2'2 | H2'1 | 122.5° | 122.7° |
| C2' | C3' | O3' | H4 | 66.7° | 65.4° |
| O3' | C3' | C2' | C1' | 103.5° | 118.6° |
| O3' | C3' | C4' | H4' | 155.1° | 146.4° |
| O3' | C3' | C2' | H2'2 | 15.6° | 122.7° |
| O3' | C3' | C2' | H2'1 | 137.4° | 0.0° |
| O1P | P | O5' | C5' | 176.7° | 55.0° |
| O1P | P | O5' | O2P | 132.9° | 120.0° |
| O1P | P | O5' | O1 | 111.9° | 120.0° |
| O1P | P | O2P | O1 | 125.6° | 119.9° |
| O1P | P | O2P | H1 | 0.0° | 180.0° |
| O1P | P | O1 | H7 | 0.0° | 60.0° |
| C2' | C1' | O4' | N1 | 127.3° | 118.8° |
| C2' | C1' | O4' | H1' | 115.9° | 119.0° |
| C2' | C1' | N1 | H1' | 122.8° | 122.3° |
| C2' | C1' | N1 | C2 | 144.6° | 61.9° |
| C2' | C1' | N1 | C6 | 25.8° | 118.4° |
| C1' | C2' | C3' | H3' | 133.8° | 118.6° |
| C1' | C2' | H2'2 | H2'1 | 122.5° | 122.7° |
| C5' | O5' | P | O2P | 43.7° | 65.0° |
| C5' | O5' | P | O1 | 71.4° | 175.0° |
| O5' | C5' | H5'2 | H5'1 | 119.9° | 120.1° |
| O5' | C5' | C4' | H4' | 43.6° | 52.8° |
| O5' | P | O2P | O1 | 110.3° | 120.0° |
| O5' | P | O2P | H1 | 124.1° | 60.0° |
| P | O5' | C5' | H5'2 | 58.9° | 60.1° |
| P | O5' | C5' | H5'1 | 61.0° | 60.0° |
| O5' | P | O1 | H7 | 110.7° | 180.0° |
| O2P | P | O1 | H7 | 133.5° | 59.9° |
| O4' | C1' | N1 | H1' | 117.4° | 122.3° |
| O4' | C1' | N1 | C2 | 95.7° | 53.5° |
| O4' | C1' | N1 | C6 | 94.0° | 126.2° |
| C1' | O4' | C4' | H4' | 83.7° | 78.4° |
| O4' | C1' | C2' | H2'2 | 112.9° | 142.6° |
| O4' | C1' | C2' | H2'1 | 125.4° | 94.6° |
| C1' | N1 | C2 | O2 | 21.7° | 4.9° |
| C1' | N1 | C2 | C6 | 170.8° | 179.7° |
| C1' | N1 | C2 | N3 | 171.6° | 175.3° |
| C1' | N1 | C6 | C5 | 172.4° | 144.3° |
| C1' | N1 | C6 | H6 | 66.1° | 95.8° |
| C1' | N1 | C6 | H2 | 50.9° | 24.4° |
| N1 | C1' | C2' | H2'2 | 6.9° | 98.6° |
| N1 | C1' | C2' | H2'1 | 114.8° | 24.2° |
| O2 | C2 | N1 | N3 | 166.7° | 179.7° |
| O2 | C2 | N1 | C6 | 167.5° | 175.4° |
| O2 | C2 | N3 | C4 | 165.6° | 165.4° |
| C2 | N1 | C6 | C5 | 1.5° | 35.4° |
| N1 | C2 | N3 | C4 | 2.1° | 14.9° |
| C2 | N1 | C1' | H1' | 21.8° | 175.8° |
| C2 | N1 | C6 | H6 | 123.0° | 84.5° |
| C2 | N1 | C6 | H2 | 120.0° | 155.3° |
| C6 | N1 | C2 | N3 | 0.8° | 4.3° |
| N1 | C6 | C5 | H6 | 121.5° | 119.9° |
| N1 | C6 | C5 | H2 | 121.5° | 119.9° |
| N1 | C6 | C5 | C4 | 0.6° | 46.2° |
| C6 | N1 | C1' | H1' | 148.5° | 3.9° |
| N1 | C6 | H6 | H2 | 115.1° | 120.2° |
| N1 | C6 | C5 | H3 | 121.9° | 166.2° |
| N1 | C6 | C5 | H5 | 120.7° | 73.8° |
| C2 | N3 | C4 | C5 | 4.5° | 1.5° |
| C2 | N3 | C4 | N4 | 178.7° | 178.4° |
| C6 | C5 | C4 | N3 | 3.8° | 32.7° |
| C6 | C5 | C4 | H3 | 121.3° | 120.0° |
| C6 | C5 | C4 | H5 | 121.3° | 119.9° |
| C6 | C5 | C4 | N4 | 179.6° | 147.2° |
| C5 | C6 | H6 | H2 | 115.1° | 120.1° |
| C6 | C5 | H3 | H5 | 115.9° | 120.0° |
| N3 | C4 | C5 | N4 | 176.6° | 179.9° |
| N3 | C4 | C5 | H3 | 125.0° | 152.6° |
| N3 | C4 | C5 | H5 | 117.5° | 87.3° |
| N3 | C4 | N4 | H41 | 0.0° | 179.9° |
| N3 | C4 | N4 | H42 | 180.0° | 0.1° |
| C4 | C5 | C6 | H6 | 120.9° | 73.7° |
| C4 | C5 | C6 | H2 | 122.1° | 166.2° |
| C4 | C5 | H3 | H5 | 115.9° | 120.2° |
| C5 | C4 | N4 | H41 | 176.9° | 0.0° |
| C5 | C4 | N4 | H42 | 3.1° | 180.0° |
| N4 | C4 | C5 | H3 | 58.3° | 27.3° |
| N4 | C4 | C5 | H5 | 59.1° | 92.8° |
| C4 | N4 | H41 | H42 | 180.0° | 180.0° |
| O1 | P | O2P | H1 | 125.6° | 60.0° |
| H5'2 | C5' | C4' | H4' | 76.5° | 172.8° |
| H5'1 | C5' | C4' | H4' | 163.6° | 67.3° |
| H4' | C4' | C3' | H3' | 29.2° | 23.7° |
| H1' | C1' | C2' | H2'2 | 130.1° | 23.7° |
| H1' | C1' | C2' | H2'1 | 8.3° | 146.5° |
| H6 | C6 | C5 | H3 | 0.4° | 46.3° |
| H6 | C6 | C5 | H5 | 117.8° | 166.4° |
| H2 | C6 | C5 | H3 | 116.6° | 73.8° |
| H2 | C6 | C5 | H5 | 0.8° | 46.2° |
| H3' | C3' | C2' | H2'2 | 107.1° | 0.0° |
| H3' | C3' | C2' | H2'1 | 14.6° | 122.7° |
| H3' | C3' | O3' | H4 | 55.0° | 57.4° |
