Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.42Å | |
| N1 | C6 | sing | 1.37Å | 1.49Å | |
| N1 | C1' | sing | 1.46Å | 1.56Å | |
| C2 | O2 | doub | 1.21Å | 1.31Å | |
| C2 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C4 | sing | 1.35Å | 1.60Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.39Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | |
| C5 | C5M | sing | 1.51Å | 1.42Å | |
| C5 | C6 | doub | 1.35Å | 1.39Å | |
| C5M | H5M1 | sing | 1.09Å | 1.12Å | |
| C5M | H5M2 | sing | 1.09Å | 1.12Å | |
| C5M | H5M3 | sing | 1.09Å | 1.11Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.60Å | |
| C1' | O4' | sing | 1.44Å | 1.30Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.55Å | 1.63Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.55Å | 1.49Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | P3' | sing | 1.61Å | 1.50Å | |
| P3' | O13 | doub | 1.48Å | 1.68Å | |
| P3' | O23 | sing | 1.61Å | 1.66Å | |
| P3' | O33 | sing | 1.61Å | 1.57Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.45Å | 1.55Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| C5' | O5' | sing | 1.43Å | 1.39Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| O5' | P5' | sing | 1.61Å | 1.91Å | |
| P5' | O15 | doub | 1.48Å | 1.77Å | |
| P5' | O25 | sing | 1.61Å | 1.56Å | |
| P5' | O35 | sing | 1.61Å | 1.58Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 119.1° | 120.6° |
| C2 | N1 | C1' | 126.2° | 119.7° |
| N1 | C2 | O2 | 118.8° | 119.5° |
| N1 | C2 | N3 | 131.0° | 120.9° |
| C6 | N1 | C1' | 114.5° | 119.7° |
| N1 | C6 | C5 | 117.4° | 119.7° |
| N1 | C6 | H6 | 124.7° | 120.1° |
| N1 | C1' | C2' | 106.1° | 109.8° |
| N1 | C1' | O4' | 110.8° | 109.9° |
| N1 | C1' | H1' | 111.4° | 109.9° |
| O2 | C2 | N3 | 110.2° | 119.6° |
| C2 | N3 | C4 | 107.3° | 120.3° |
| C2 | N3 | HN3 | 119.3° | 119.8° |
| C4 | N3 | HN3 | 133.5° | 119.9° |
| N3 | C4 | O4 | 114.3° | 120.3° |
| N3 | C4 | C5 | 125.5° | 119.4° |
| O4 | C4 | C5 | 119.8° | 120.3° |
| C4 | C5 | C5M | 119.4° | 120.5° |
| C4 | C5 | C6 | 119.3° | 119.1° |
| C5M | C5 | C6 | 120.7° | 120.4° |
| C5 | C5M | H5M1 | 119.4° | 109.4° |
| C5 | C5M | H5M2 | 108.6° | 109.5° |
| C5 | C5M | H5M3 | 108.7° | 109.5° |
| C5 | C6 | H6 | 118.0° | 120.2° |
| H5M1 | C5M | H5M2 | 108.6° | 109.4° |
| H5M1 | C5M | H5M3 | 108.6° | 109.5° |
| H5M2 | C5M | H5M3 | 101.4° | 109.5° |
| C2' | C1' | O4' | 111.0° | 107.4° |
| C2' | C1' | H1' | 111.2° | 109.9° |
| C1' | C2' | C3' | 99.4° | 104.2° |
| C1' | C2' | H2'1 | 116.1° | 110.5° |
| C1' | C2' | H2'2 | 116.1° | 110.5° |
| O4' | C1' | H1' | 106.5° | 109.9° |
| C1' | O4' | C4' | 113.7° | 106.9° |
| C3' | C2' | H2'1 | 116.1° | 110.5° |
| C3' | C2' | H2'2 | 116.1° | 110.5° |
| C2' | C3' | O3' | 112.3° | 110.9° |
| C2' | C3' | C4' | 107.1° | 102.1° |
| C2' | C3' | H3' | 109.4° | 110.9° |
| H2'1 | C2' | H2'2 | 94.3° | 110.5° |
| O3' | C3' | C4' | 110.0° | 110.9° |
| O3' | C3' | H3' | 106.5° | 110.9° |
| C3' | O3' | P3' | 121.5° | 106.8° |
| C4' | C3' | H3' | 111.7° | 110.9° |
| C3' | C4' | O4' | 104.6° | 103.6° |
| C3' | C4' | C5' | 109.4° | 110.6° |
| C3' | C4' | H4' | 112.5° | 110.6° |
| O3' | P3' | O13 | 115.4° | 109.4° |
| O3' | P3' | O23 | 113.6° | 109.5° |
| O3' | P3' | O33 | 118.1° | 109.4° |
| O13 | P3' | O23 | 100.1° | 109.5° |
| O13 | P3' | O33 | 107.2° | 109.5° |
| O23 | P3' | O33 | 100.0° | 109.5° |
| P3' | O23 | H23 | 113.6° | 106.8° |
| P3' | O33 | H33 | 118.1° | 106.8° |
| O4' | C4' | C5' | 109.2° | 110.8° |
| O4' | C4' | H4' | 112.8° | 110.5° |
| C5' | C4' | H4' | 108.2° | 110.6° |
| C4' | C5' | O5' | 102.5° | 109.5° |
| C4' | C5' | H5'1 | 114.9° | 109.5° |
| C4' | C5' | H5'2 | 114.9° | 109.5° |
| O5' | C5' | H5'1 | 114.9° | 109.4° |
| O5' | C5' | H5'2 | 114.9° | 109.4° |
| C5' | O5' | P5' | 114.1° | 106.9° |
| H5'1 | C5' | H5'2 | 95.5° | 109.5° |
| O5' | P5' | O15 | 109.4° | 109.4° |
| O5' | P5' | O25 | 108.9° | 109.5° |
| O5' | P5' | O35 | 100.9° | 109.5° |
| O15 | P5' | O25 | 113.1° | 109.4° |
| O15 | P5' | O35 | 116.5° | 109.5° |
| O25 | P5' | O35 | 107.1° | 109.5° |
| P5' | O25 | H25 | 108.9° | 106.9° |
| P5' | O35 | H35 | 100.9° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 176.0° | 180.0° |
| N1 | C2 | O2 | N3 | 179.4° | 180.0° |
| N1 | C2 | N3 | C4 | 0.7° | 0.3° |
| N1 | C2 | N3 | HN3 | 179.3° | 180.0° |
| C2 | N1 | C6 | C5 | 1.4° | 0.0° |
| C2 | N1 | C6 | H6 | 178.7° | 180.0° |
| C2 | N1 | C1' | C2' | 77.3° | 59.7° |
| C2 | N1 | C1' | O4' | 162.2° | 58.3° |
| C2 | N1 | C1' | H1' | 43.9° | 179.3° |
| C6 | N1 | C2 | O2 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 1.4° | 0.0° |
| N1 | C6 | C5 | C4 | 6.2° | 0.2° |
| N1 | C6 | C5 | C5M | 177.4° | 180.0° |
| N1 | C6 | C5 | H6 | 179.9° | 180.0° |
| C6 | N1 | C1' | C2' | 98.4° | 120.3° |
| C6 | N1 | C1' | O4' | 22.1° | 121.7° |
| C6 | N1 | C1' | H1' | 140.5° | 0.6° |
| C1' | N1 | C2 | O2 | 3.9° | 0.0° |
| C1' | N1 | C2 | N3 | 176.9° | 180.0° |
| C1' | N1 | C6 | C5 | 174.6° | 180.0° |
| C1' | N1 | C6 | H6 | 5.3° | 0.0° |
| N1 | C1' | C2' | O4' | 120.4° | 119.6° |
| N1 | C1' | C2' | H1' | 121.3° | 120.9° |
| N1 | C1' | O4' | H1' | 121.3° | 121.0° |
| N1 | C1' | C2' | C3' | 139.6° | 121.5° |
| N1 | C1' | C2' | H2'1 | 95.2° | 119.9° |
| N1 | C1' | C2' | H2'2 | 14.3° | 2.8° |
| N1 | C1' | O4' | C4' | 129.7° | 145.8° |
| O2 | C2 | N3 | C4 | 178.6° | 179.8° |
| O2 | C2 | N3 | HN3 | 1.4° | 0.1° |
| C2 | N3 | C4 | HN3 | 179.9° | 179.7° |
| C2 | N3 | C4 | O4 | 178.6° | 180.0° |
| C2 | N3 | C4 | C5 | 6.0° | 0.5° |
| N3 | C4 | O4 | C5 | 173.0° | 179.5° |
| N3 | C4 | C5 | C5M | 179.6° | 179.8° |
| N3 | C4 | C5 | C6 | 9.1° | 0.5° |
| HN3 | N3 | C4 | O4 | 1.4° | 0.3° |
| HN3 | N3 | C4 | C5 | 174.0° | 179.8° |
| O4 | C4 | C5 | C5M | 7.4° | 0.3° |
| O4 | C4 | C5 | C6 | 178.7° | 180.0° |
| C4 | C5 | C5M | C6 | 171.2° | 179.7° |
| C4 | C5 | C5M | H5M1 | 180.0° | 0.3° |
| C4 | C5 | C5M | H5M2 | 54.8° | 119.7° |
| C4 | C5 | C5M | H5M3 | 54.8° | 120.3° |
| C4 | C5 | C6 | H6 | 173.8° | 179.8° |
| C5 | C5M | H5M1 | H5M2 | 125.2° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 125.3° | 120.0° |
| C5 | C5M | H5M2 | H5M3 | 114.4° | 120.1° |
| C5M | C5 | C6 | H6 | 2.7° | 0.0° |
| C6 | C5 | C5M | H5M1 | 8.9° | 180.0° |
| C6 | C5 | C5M | H5M2 | 134.1° | 60.1° |
| C6 | C5 | C5M | H5M3 | 116.4° | 60.0° |
| H5M1 | C5M | H5M2 | H5M3 | 114.3° | 120.0° |
| C2' | C1' | O4' | H1' | 121.1° | 119.5° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.7° |
| C1' | C2' | C3' | H2'2 | 125.3° | 118.7° |
| C1' | C2' | H2'1 | H2'2 | 121.9° | 122.7° |
| C1' | C2' | C3' | O3' | 101.5° | 139.1° |
| C1' | C2' | C3' | C4' | 19.3° | 20.9° |
| C1' | C2' | C3' | H3' | 140.5° | 97.3° |
| C2' | C1' | O4' | C4' | 12.1° | 26.3° |
| O4' | C1' | C2' | C3' | 19.2° | 1.9° |
| O4' | C1' | C2' | H2'1 | 144.5° | 120.6° |
| O4' | C1' | C2' | H2'2 | 106.1° | 116.7° |
| C1' | O4' | C4' | C3' | 1.4° | 39.9° |
| C1' | O4' | C4' | C5' | 115.6° | 158.5° |
| C1' | O4' | C4' | H4' | 124.1° | 78.6° |
| H1' | C1' | C2' | C3' | 99.2° | 117.6° |
| H1' | C1' | C2' | H2'1 | 26.1° | 1.1° |
| H1' | C1' | C2' | H2'2 | 135.6° | 123.8° |
| H1' | C1' | O4' | C4' | 109.0° | 93.2° |
| C3' | C2' | H2'1 | H2'2 | 121.8° | 122.6° |
| C2' | C3' | O3' | C4' | 119.1° | 112.7° |
| C2' | C3' | O3' | H3' | 119.7° | 123.6° |
| C2' | C3' | C4' | H3' | 119.7° | 118.1° |
| C2' | C3' | O3' | P3' | 162.6° | 121.5° |
| C2' | C3' | C4' | O4' | 13.8° | 36.9° |
| C2' | C3' | C4' | C5' | 103.1° | 155.7° |
| C2' | C3' | C4' | H4' | 136.6° | 81.5° |
| H2'1 | C2' | C3' | O3' | 23.8° | 20.4° |
| H2'1 | C2' | C3' | C4' | 144.6° | 97.8° |
| H2'1 | C2' | C3' | H3' | 94.2° | 144.1° |
| H2'2 | C2' | C3' | O3' | 133.2° | 102.2° |
| H2'2 | C2' | C3' | C4' | 106.0° | 139.6° |
| H2'2 | C2' | C3' | H3' | 15.2° | 21.4° |
| O3' | C3' | C4' | H3' | 118.0° | 123.7° |
| C3' | O3' | P3' | O13 | 179.1° | 60.0° |
| C3' | O3' | P3' | O23 | 64.4° | 180.0° |
| C3' | O3' | P3' | O33 | 52.3° | 60.0° |
| O3' | C3' | C4' | O4' | 108.5° | 155.2° |
| O3' | C3' | C4' | C5' | 134.7° | 86.1° |
| O3' | C3' | C4' | H4' | 14.4° | 36.7° |
| C4' | C3' | O3' | P3' | 78.2° | 125.9° |
| C3' | C4' | O4' | C5' | 117.0° | 118.6° |
| C3' | C4' | O4' | H4' | 122.6° | 118.5° |
| C3' | C4' | C5' | H4' | 122.9° | 122.8° |
| C3' | C4' | C5' | O5' | 166.2° | 180.0° |
| C3' | C4' | C5' | H5'1 | 68.5° | 60.0° |
| C3' | C4' | C5' | H5'2 | 41.0° | 60.0° |
| H3' | C3' | O3' | P3' | 42.9° | 2.1° |
| H3' | C3' | C4' | O4' | 133.5° | 81.2° |
| H3' | C3' | C4' | C5' | 16.7° | 37.6° |
| H3' | C3' | C4' | H4' | 103.7° | 160.4° |
| O3' | P3' | O13 | O23 | 122.3° | 120.0° |
| O3' | P3' | O13 | O33 | 133.8° | 120.0° |
| O3' | P3' | O23 | O33 | 126.8° | 120.0° |
| O3' | P3' | O23 | H23 | 180.0° | 180.0° |
| O3' | P3' | O33 | H33 | 180.0° | 60.0° |
| O13 | P3' | O23 | O33 | 109.6° | 120.0° |
| O13 | P3' | O23 | H23 | 56.5° | 60.0° |
| O13 | P3' | O33 | H33 | 47.7° | 180.0° |
| O23 | P3' | O33 | H33 | 56.3° | 60.0° |
| O33 | P3' | O23 | H23 | 53.2° | 60.0° |
| O4' | C4' | C5' | H4' | 123.1° | 122.9° |
| O4' | C4' | C5' | O5' | 52.3° | 65.7° |
| O4' | C4' | C5' | H5'1 | 177.6° | 174.3° |
| O4' | C4' | C5' | H5'2 | 73.0° | 54.3° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.1° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 120.7° | 120.0° |
| C4' | C5' | O5' | P5' | 134.3° | 180.0° |
| H4' | C4' | C5' | O5' | 70.8° | 57.2° |
| H4' | C4' | C5' | H5'1 | 54.4° | 62.8° |
| H4' | C4' | C5' | H5'2 | 163.9° | 177.1° |
| O5' | C5' | H5'1 | H5'2 | 120.7° | 119.9° |
| C5' | O5' | P5' | O15 | 83.6° | 60.0° |
| C5' | O5' | P5' | O25 | 152.3° | 180.0° |
| C5' | O5' | P5' | O35 | 39.8° | 60.0° |
| H5'1 | C5' | O5' | P5' | 9.0° | 59.9° |
| H5'2 | C5' | O5' | P5' | 100.4° | 60.0° |
| O5' | P5' | O15 | O25 | 121.6° | 120.0° |
| O5' | P5' | O15 | O35 | 113.6° | 120.0° |
| O5' | P5' | O25 | O35 | 108.3° | 120.1° |
| O5' | P5' | O25 | H25 | 180.0° | 180.0° |
| O5' | P5' | O35 | H35 | 180.0° | 60.0° |
| O15 | P5' | O25 | O35 | 129.7° | 119.9° |
| O15 | P5' | O25 | H25 | 58.1° | 60.1° |
| O15 | P5' | O35 | H35 | 61.6° | 180.0° |
| O25 | P5' | O35 | H35 | 66.1° | 60.1° |
| O35 | P5' | O25 | H25 | 71.7° | 59.9° |






