MFT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O5' | sing | 1.61Å | 1.52Å | |
| N1 | C1' | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.26Å | |
| N3 | C2 | sing | 1.35Å | 1.38Å | |
| N3 | C21 | sing | 1.46Å | 1.46Å | |
| C4 | N3 | sing | 1.35Å | 1.37Å | |
| O4 | C4 | doub | 1.22Å | 1.26Å | |
| C5 | C4 | sing | 1.42Å | 1.41Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C6 | N1 | sing | 1.37Å | 1.37Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1P | P | sing | 1.61Å | 1.51Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.55Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| O2P | P | sing | 1.61Å | 1.51Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.55Å | 1.54Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.55Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.34Å | |
| C5M | C5 | sing | 1.51Å | 1.49Å | |
| C5M | H5M | sing | 1.09Å | 1.10Å | |
| C5M | H5MA | sing | 1.09Å | 1.10Å | |
| C5M | H5MB | sing | 1.09Å | 1.10Å | |
| O8 | P | doub | 1.48Å | 1.48Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5' | P | O1P | 108.8° | 109.5° |
| O5' | P | O2P | 109.8° | 109.5° |
| P | O5' | C5' | 127.1° | 123.0° |
| O5' | P | O8 | 110.2° | 109.4° |
| C1' | N1 | C2 | 121.9° | 119.7° |
| C1' | N1 | C6 | 119.9° | 119.7° |
| N1 | C1' | H1' | 103.1° | 109.9° |
| N1 | C1' | C2' | 113.5° | 109.8° |
| N1 | C1' | O4' | 113.3° | 109.9° |
| N1 | C2 | O2 | 118.7° | 119.5° |
| N1 | C2 | N3 | 122.0° | 120.9° |
| C2 | N1 | C6 | 118.3° | 120.6° |
| O2 | C2 | N3 | 119.3° | 119.5° |
| C2 | N3 | C21 | 121.0° | 119.9° |
| C2 | N3 | C4 | 119.1° | 120.2° |
| C21 | N3 | C4 | 119.9° | 119.9° |
| N3 | C21 | H21 | 109.5° | 109.5° |
| N3 | C21 | H21A | 109.5° | 109.5° |
| N3 | C21 | H21B | 109.5° | 109.5° |
| N3 | C4 | O4 | 121.0° | 120.3° |
| N3 | C4 | C5 | 121.1° | 119.4° |
| O4 | C4 | C5 | 117.9° | 120.3° |
| C4 | C5 | C6 | 116.9° | 119.1° |
| C4 | C5 | C5M | 123.0° | 120.4° |
| C5 | C6 | N1 | 122.5° | 119.7° |
| C5 | C6 | H6 | 118.7° | 120.2° |
| C6 | C5 | C5M | 120.1° | 120.5° |
| N1 | C6 | H6 | 118.8° | 120.1° |
| H1' | C1' | C2' | 110.0° | 109.9° |
| H1' | C1' | O4' | 110.3° | 109.9° |
| P | O1P | HO1P | 109.5° | 114.0° |
| O1P | P | O2P | 108.8° | 109.5° |
| O1P | P | O8 | 109.6° | 109.5° |
| C1' | C2' | C3' | 103.2° | 104.2° |
| C1' | C2' | H2' | 111.6° | 110.5° |
| C1' | C2' | H2'A | 111.6° | 110.5° |
| C2' | C1' | O4' | 106.8° | 107.4° |
| C3' | C2' | H2' | 111.6° | 110.5° |
| C3' | C2' | H2'A | 111.6° | 110.4° |
| C2' | C3' | O3' | 113.6° | 110.9° |
| C2' | C3' | H3' | 112.3° | 110.9° |
| C2' | C3' | C4' | 102.3° | 102.1° |
| H2' | C2' | H2'A | 107.3° | 110.6° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| O2P | P | O8 | 109.7° | 109.5° |
| O3' | C3' | H3' | 103.1° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | C4' | 111.7° | 110.9° |
| H3' | C3' | C4' | 114.2° | 111.0° |
| C3' | C4' | O4' | 106.6° | 103.6° |
| C3' | C4' | H4' | 109.4° | 110.6° |
| C3' | C4' | C5' | 113.5° | 110.6° |
| O4' | C4' | H4' | 111.5° | 110.5° |
| C4' | O4' | C1' | 110.3° | 106.8° |
| O4' | C4' | C5' | 111.4° | 110.6° |
| H4' | C4' | C5' | 104.5° | 110.7° |
| C4' | C5' | H5' | 109.3° | 109.5° |
| C4' | C5' | H5'A | 109.2° | 109.5° |
| C4' | C5' | O5' | 110.1° | 109.5° |
| H5' | C5' | H5'A | 109.7° | 109.5° |
| H5' | C5' | O5' | 109.3° | 109.4° |
| H5'A | C5' | O5' | 109.3° | 109.5° |
| C5 | C5M | H5M | 109.5° | 109.5° |
| C5 | C5M | H5MA | 109.4° | 109.5° |
| C5 | C5M | H5MB | 109.5° | 109.5° |
| H5M | C5M | H5MA | 109.5° | 109.5° |
| H5M | C5M | H5MB | 109.5° | 109.5° |
| H5MA | C5M | H5MB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | P | O1P | O2P | 119.5° | 120.0° |
| O5' | P | O1P | O8 | 120.5° | 120.0° |
| O5' | P | O1P | HO1P | 120.5° | 60.1° |
| O5' | P | O2P | O8 | 121.2° | 120.0° |
| O5' | P | O2P | HO2P | 121.2° | 180.0° |
| P | O5' | C5' | C4' | 172.7° | 180.0° |
| P | O5' | C5' | H5' | 67.3° | 60.1° |
| P | O5' | C5' | H5'A | 52.7° | 59.9° |
| C1' | N1 | C2 | C6 | 179.9° | 179.8° |
| C1' | N1 | C2 | O2 | 2.2° | 0.0° |
| C1' | N1 | C2 | N3 | 177.5° | 180.0° |
| C1' | N1 | C6 | C5 | 176.6° | 179.7° |
| C1' | N1 | C6 | H6 | 3.4° | 0.3° |
| N1 | C1' | H1' | C2' | 121.3° | 120.9° |
| N1 | C1' | H1' | O4' | 121.2° | 121.0° |
| N1 | C1' | C2' | O4' | 125.5° | 119.5° |
| N1 | C1' | C2' | C3' | 102.2° | 121.4° |
| N1 | C1' | C2' | H2' | 137.8° | 119.9° |
| N1 | C1' | C2' | H2'A | 17.8° | 2.8° |
| N1 | C1' | O4' | C4' | 121.0° | 145.8° |
| N1 | C2 | O2 | N3 | 179.7° | 180.0° |
| N1 | C2 | N3 | C21 | 179.2° | 180.0° |
| N1 | C2 | N3 | C4 | 1.0° | 0.0° |
| C2 | N1 | C6 | C5 | 3.3° | 0.5° |
| C2 | N1 | C6 | H6 | 176.7° | 180.0° |
| C2 | N1 | C1' | H1' | 35.9° | 5.7° |
| C2 | N1 | C1' | C2' | 83.0° | 115.3° |
| C2 | N1 | C1' | O4' | 155.0° | 126.7° |
| O2 | C2 | N3 | C21 | 0.5° | 0.0° |
| O2 | C2 | N3 | C4 | 178.7° | 180.0° |
| O2 | C2 | N1 | C6 | 177.9° | 179.7° |
| C2 | N3 | C21 | C4 | 178.2° | 180.0° |
| C2 | N3 | C4 | O4 | 176.5° | 180.0° |
| C2 | N3 | C4 | C5 | 3.6° | 0.0° |
| N3 | C2 | N1 | C6 | 2.4° | 0.3° |
| C2 | N3 | C21 | H21 | 180.0° | 90.0° |
| C2 | N3 | C21 | H21A | 60.0° | 150.0° |
| C2 | N3 | C21 | H21B | 60.0° | 30.1° |
| C21 | N3 | C4 | O4 | 1.7° | 0.0° |
| C21 | N3 | C4 | C5 | 178.2° | 180.0° |
| N3 | C21 | H21 | H21A | 120.0° | 120.0° |
| N3 | C21 | H21 | H21B | 120.0° | 120.1° |
| N3 | C21 | H21A | H21B | 120.0° | 120.0° |
| N3 | C4 | O4 | C5 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 2.7° | 0.3° |
| C4 | N3 | C21 | H21 | 1.8° | 89.9° |
| C4 | N3 | C21 | H21A | 121.8° | 30.0° |
| C4 | N3 | C21 | H21B | 118.2° | 150.0° |
| N3 | C4 | C5 | C5M | 179.1° | 180.0° |
| O4 | C4 | C5 | C6 | 177.4° | 179.7° |
| O4 | C4 | C5 | C5M | 0.9° | 0.0° |
| C4 | C5 | C6 | C5M | 178.3° | 179.8° |
| C4 | C5 | C6 | N1 | 0.8° | 0.5° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C4 | C5 | C5M | H5M | 180.0° | 0.0° |
| C4 | C5 | C5M | H5MA | 60.0° | 120.1° |
| C4 | C5 | C5M | H5MB | 60.0° | 120.0° |
| C5 | C6 | N1 | H6 | 180.0° | 179.5° |
| C6 | C5 | C5M | H5M | 1.8° | 179.7° |
| C6 | C5 | C5M | H5MA | 121.8° | 59.7° |
| C6 | C5 | C5M | H5MB | 118.2° | 60.2° |
| C6 | N1 | C1' | H1' | 144.0° | 174.1° |
| C6 | N1 | C1' | C2' | 97.1° | 65.0° |
| C6 | N1 | C1' | O4' | 24.9° | 53.0° |
| N1 | C6 | C5 | C5M | 177.5° | 179.7° |
| H6 | C6 | C5 | C5M | 2.5° | 0.2° |
| H1' | C1' | C2' | O4' | 119.7° | 119.6° |
| H1' | C1' | C2' | C3' | 143.0° | 117.6° |
| H1' | C1' | C2' | H2' | 23.0° | 1.0° |
| H1' | C1' | C2' | H2'A | 97.1° | 123.8° |
| H1' | C1' | O4' | C4' | 124.1° | 93.2° |
| O1P | P | O2P | O8 | 119.8° | 120.0° |
| O1P | P | O2P | HO2P | 119.8° | 60.0° |
| O1P | P | O5' | C5' | 177.7° | 64.9° |
| HO1P | O1P | P | O2P | 119.9° | 60.0° |
| HO1P | O1P | P | O8 | 0.0° | 180.0° |
| C1' | C2' | C3' | H2' | 120.0° | 118.6° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | H2' | H2'A | 122.5° | 122.7° |
| C1' | C2' | C3' | O3' | 152.1° | 139.1° |
| C1' | C2' | C3' | H3' | 91.4° | 97.4° |
| C1' | C2' | C3' | C4' | 31.5° | 20.9° |
| C2' | C1' | O4' | C4' | 4.7° | 26.4° |
| C3' | C2' | H2' | H2'A | 122.6° | 122.6° |
| C2' | C3' | O3' | H3' | 121.8° | 123.6° |
| C2' | C3' | O3' | C4' | 115.2° | 112.7° |
| C2' | C3' | H3' | C4' | 116.0° | 112.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | O4' | 29.9° | 37.0° |
| C2' | C3' | C4' | H4' | 90.9° | 81.5° |
| C3' | C2' | C1' | O4' | 23.3° | 2.0° |
| C2' | C3' | C4' | C5' | 152.9° | 155.5° |
| H2' | C2' | C3' | O3' | 32.1° | 20.4° |
| H2' | C2' | C3' | H3' | 148.6° | 144.0° |
| H2' | C2' | C3' | C4' | 88.5° | 97.8° |
| H2' | C2' | C1' | O4' | 96.7° | 120.6° |
| H2'A | C2' | C3' | O3' | 87.9° | 102.2° |
| H2'A | C2' | C3' | H3' | 28.6° | 21.3° |
| H2'A | C2' | C3' | C4' | 151.5° | 139.6° |
| H2'A | C2' | C1' | O4' | 143.3° | 116.6° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| O2P | P | O5' | C5' | 58.8° | 175.0° |
| HO2P | O2P | P | O8 | 0.0° | 60.0° |
| O3' | C3' | H3' | C4' | 121.4° | 123.7° |
| O3' | C3' | C4' | O4' | 151.8° | 155.1° |
| O3' | C3' | C4' | H4' | 31.0° | 36.7° |
| O3' | C3' | C4' | C5' | 85.2° | 86.3° |
| H3' | C3' | O3' | HO3' | 58.2° | 62.1° |
| H3' | C3' | C4' | O4' | 91.7° | 81.3° |
| H3' | C3' | C4' | H4' | 147.5° | 160.3° |
| H3' | C3' | C4' | C5' | 31.3° | 37.3° |
| HO3' | O3' | C3' | C4' | 64.8° | 174.2° |
| C3' | C4' | O4' | H4' | 119.4° | 118.5° |
| C3' | C4' | O4' | C5' | 124.3° | 118.5° |
| C3' | C4' | H4' | C5' | 121.8° | 122.9° |
| C3' | C4' | O4' | C1' | 16.0° | 39.9° |
| C3' | C4' | C5' | H5' | 65.6° | 55.0° |
| C3' | C4' | C5' | H5'A | 54.4° | 65.0° |
| C3' | C4' | C5' | O5' | 174.4° | 175.0° |
| O4' | C4' | H4' | C5' | 120.4° | 122.9° |
| O4' | C4' | C5' | H5' | 174.1° | 169.2° |
| O4' | C4' | C5' | H5'A | 66.0° | 49.2° |
| O4' | C4' | C5' | O5' | 54.1° | 70.8° |
| H4' | C4' | O4' | C1' | 103.4° | 78.6° |
| H4' | C4' | C5' | H5' | 53.5° | 67.9° |
| H4' | C4' | C5' | H5'A | 173.5° | 172.1° |
| H4' | C4' | C5' | O5' | 66.5° | 52.0° |
| C1' | O4' | C4' | C5' | 140.3° | 158.4° |
| C4' | C5' | H5' | H5'A | 119.7° | 120.0° |
| C4' | C5' | H5' | O5' | 120.6° | 119.9° |
| C4' | C5' | H5'A | O5' | 120.5° | 120.0° |
| H5' | C5' | H5'A | O5' | 119.7° | 120.0° |
| C5' | O5' | P | O8 | 62.1° | 55.1° |
| C5 | C5M | H5M | H5MA | 120.0° | 120.0° |
| C5 | C5M | H5M | H5MB | 120.0° | 120.0° |
| C5 | C5M | H5MA | H5MB | 120.0° | 120.0° |
| H5M | C5M | H5MA | H5MB | 120.0° | 120.0° |
