GEO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.56Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | N1 | sing | 1.46Å | 1.49Å | |
| C1' | C2' | sing | 1.54Å | 1.55Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C6 | sing | 1.36Å | 1.32Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.35Å | 1.31Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | sing | 1.41Å | 1.31Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | N4 | sing | 1.38Å | 1.35Å | |
| N3 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.34Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| C2' | F1 | sing | 1.40Å | 1.32Å | |
| C2' | F2 | sing | 1.40Å | 1.30Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5' | O5' | H5' | 107.7° | 106.8° |
| O5' | C5' | C4' | 107.6° | 109.5° |
| O5' | C5' | H5'1 | 112.9° | 109.4° |
| O5' | C5' | H5'2 | 112.9° | 109.5° |
| C4' | C5' | H5'1 | 112.9° | 109.5° |
| C4' | C5' | H5'2 | 112.9° | 109.5° |
| C5' | C4' | O4' | 107.0° | 110.4° |
| C5' | C4' | C3' | 116.8° | 110.5° |
| C5' | C4' | H4' | 105.6° | 110.3° |
| H5'1 | C5' | H5'2 | 97.6° | 109.5° |
| O4' | C4' | C3' | 107.3° | 104.8° |
| O4' | C4' | H4' | 115.3° | 110.4° |
| C4' | O4' | C1' | 111.0° | 105.3° |
| C3' | C4' | H4' | 105.3° | 110.3° |
| C4' | C3' | C2' | 103.2° | 104.1° |
| C4' | C3' | O3' | 113.8° | 110.6° |
| C4' | C3' | H3' | 110.8° | 110.5° |
| O4' | C1' | N1 | 112.5° | 110.3° |
| O4' | C1' | C2' | 102.2° | 104.9° |
| O4' | C1' | H1' | 114.2° | 110.4° |
| N1 | C1' | C2' | 114.4° | 110.4° |
| N1 | C1' | H1' | 101.9° | 110.4° |
| C1' | N1 | C6 | 123.1° | 119.8° |
| C1' | N1 | C2 | 118.2° | 119.9° |
| C2' | C1' | H1' | 112.2° | 110.4° |
| C1' | C2' | F1 | 109.7° | 110.5° |
| C1' | C2' | F2 | 110.3° | 110.6° |
| C1' | C2' | C3' | 104.8° | 104.0° |
| C6 | N1 | C2 | 118.6° | 120.4° |
| N1 | C6 | C5 | 121.5° | 119.3° |
| N1 | C6 | H6 | 119.6° | 120.4° |
| N1 | C2 | N3 | 118.7° | 121.1° |
| N1 | C2 | O2 | 122.3° | 119.5° |
| C5 | C6 | H6 | 118.9° | 120.3° |
| C6 | C5 | C4 | 120.8° | 119.0° |
| C6 | C5 | H5 | 119.7° | 120.5° |
| C4 | C5 | H5 | 119.5° | 120.6° |
| C5 | C4 | N3 | 119.5° | 119.6° |
| C5 | C4 | N4 | 123.6° | 120.2° |
| N3 | C4 | N4 | 116.8° | 120.2° |
| C4 | N3 | C2 | 120.1° | 120.7° |
| C4 | N4 | HN41 | 123.6° | 120.0° |
| C4 | N4 | HN42 | 107.2° | 120.0° |
| N3 | C2 | O2 | 119.0° | 119.4° |
| HN41 | N4 | HN42 | 107.1° | 120.0° |
| F1 | C2' | F2 | 104.8° | 110.5° |
| F1 | C2' | C3' | 111.5° | 110.6° |
| F2 | C2' | C3' | 115.8° | 110.5° |
| C2' | C3' | O3' | 109.4° | 110.5° |
| C2' | C3' | H3' | 115.1° | 110.5° |
| O3' | C3' | H3' | 104.8° | 110.4° |
| C3' | O3' | H1 | 113.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
| O5' | C5' | C4' | O4' | 72.8° | 66.5° |
| O5' | C5' | C4' | C3' | 47.4° | 178.1° |
| O5' | C5' | C4' | H4' | 163.9° | 55.8° |
| H5' | O5' | C5' | C4' | 180.0° | 180.0° |
| H5' | O5' | C5' | H5'1 | 54.8° | 60.0° |
| H5' | O5' | C5' | H5'2 | 54.7° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
| C5' | C4' | O4' | C3' | 126.0° | 118.9° |
| C5' | C4' | O4' | H4' | 117.1° | 122.3° |
| C5' | C4' | C3' | H4' | 116.7° | 122.3° |
| C5' | C4' | O4' | C1' | 140.4° | 159.5° |
| C5' | C4' | C3' | C2' | 111.9° | 142.9° |
| C5' | C4' | C3' | O3' | 129.7° | 98.3° |
| C5' | C4' | C3' | H3' | 11.9° | 24.3° |
| H5'1 | C5' | C4' | O4' | 162.0° | 173.5° |
| H5'1 | C5' | C4' | C3' | 77.9° | 58.1° |
| H5'1 | C5' | C4' | H4' | 38.7° | 64.2° |
| H5'2 | C5' | C4' | O4' | 52.4° | 53.5° |
| H5'2 | C5' | C4' | C3' | 172.6° | 61.9° |
| H5'2 | C5' | C4' | H4' | 70.9° | 175.8° |
| O4' | C4' | C3' | H4' | 123.3° | 118.8° |
| C4' | O4' | C1' | N1 | 153.2° | 159.3° |
| C4' | O4' | C1' | C2' | 30.0° | 40.5° |
| C4' | O4' | C1' | H1' | 91.4° | 78.4° |
| O4' | C4' | C3' | C2' | 8.1° | 24.0° |
| O4' | C4' | C3' | O3' | 110.3° | 142.7° |
| O4' | C4' | C3' | H3' | 131.9° | 94.7° |
| C3' | C4' | O4' | C1' | 14.3° | 40.5° |
| C4' | C3' | C2' | C1' | 25.6° | 0.1° |
| C4' | C3' | C2' | F1 | 93.0° | 118.6° |
| C4' | C3' | C2' | F2 | 147.4° | 118.7° |
| C4' | C3' | C2' | O3' | 121.5° | 118.7° |
| C4' | C3' | C2' | H3' | 120.9° | 118.7° |
| C4' | C3' | O3' | H3' | 121.3° | 122.6° |
| C4' | C3' | O3' | H1 | 180.0° | 180.0° |
| H4' | C4' | O4' | C1' | 102.6° | 78.3° |
| H4' | C4' | C3' | C2' | 131.4° | 94.8° |
| H4' | C4' | C3' | O3' | 13.0° | 23.9° |
| H4' | C4' | C3' | H3' | 104.8° | 146.5° |
| O4' | C1' | N1 | C2' | 116.0° | 115.4° |
| O4' | C1' | N1 | H1' | 122.6° | 122.3° |
| O4' | C1' | C2' | H1' | 122.7° | 118.9° |
| O4' | C1' | N1 | C6 | 37.9° | 128.0° |
| O4' | C1' | N1 | C2 | 138.5° | 52.0° |
| O4' | C1' | C2' | F1 | 85.8° | 94.7° |
| O4' | C1' | C2' | F2 | 159.3° | 142.5° |
| O4' | C1' | C2' | C3' | 34.0° | 23.9° |
| N1 | C1' | C2' | H1' | 115.4° | 122.3° |
| C1' | N1 | C6 | C2 | 176.4° | 179.9° |
| C1' | N1 | C6 | C5 | 166.2° | 179.7° |
| C1' | N1 | C6 | H6 | 13.8° | 0.0° |
| C1' | N1 | C2 | N3 | 170.7° | 179.9° |
| C1' | N1 | C2 | O2 | 8.9° | 0.0° |
| N1 | C1' | C2' | F1 | 36.0° | 24.1° |
| N1 | C1' | C2' | F2 | 78.9° | 98.6° |
| N1 | C1' | C2' | C3' | 155.8° | 142.7° |
| C2' | C1' | N1 | C6 | 78.1° | 116.6° |
| C2' | C1' | N1 | C2 | 105.4° | 63.4° |
| C1' | C2' | F1 | F2 | 118.4° | 122.8° |
| C1' | C2' | F1 | C3' | 115.7° | 114.5° |
| C1' | C2' | F2 | C3' | 118.8° | 114.6° |
| C1' | C2' | C3' | O3' | 95.9° | 118.8° |
| C1' | C2' | C3' | H3' | 146.5° | 118.6° |
| H1' | C1' | N1 | C6 | 160.6° | 5.8° |
| H1' | C1' | N1 | C2 | 15.9° | 174.3° |
| H1' | C1' | C2' | F1 | 151.4° | 146.4° |
| H1' | C1' | C2' | F2 | 36.5° | 23.7° |
| H1' | C1' | C2' | C3' | 88.8° | 95.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.7° |
| N1 | C6 | C5 | C4 | 8.5° | 0.6° |
| N1 | C6 | C5 | H5 | 171.5° | 180.0° |
| C6 | N1 | C2 | N3 | 6.0° | 0.0° |
| C6 | N1 | C2 | O2 | 174.5° | 180.0° |
| C2 | N1 | C6 | C5 | 10.2° | 0.3° |
| C2 | N1 | C6 | H6 | 169.7° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| N1 | C2 | N3 | O2 | 179.5° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.4° |
| C6 | C5 | C4 | N3 | 2.2° | 0.5° |
| C6 | C5 | C4 | N4 | 175.5° | 179.8° |
| H6 | C6 | C5 | C4 | 171.5° | 179.7° |
| H6 | C6 | C5 | H5 | 8.5° | 0.3° |
| C5 | C4 | N3 | N4 | 177.8° | 179.7° |
| C5 | C4 | N3 | C2 | 1.9° | 0.2° |
| C5 | C4 | N4 | HN41 | 180.0° | 179.7° |
| C5 | C4 | N4 | HN42 | 54.8° | 0.6° |
| H5 | C5 | C4 | N3 | 177.8° | 180.0° |
| H5 | C5 | C4 | N4 | 4.6° | 0.4° |
| C4 | N3 | C2 | O2 | 179.6° | 180.0° |
| N3 | C4 | N4 | HN41 | 2.3° | 0.0° |
| N3 | C4 | N4 | HN42 | 122.9° | 179.7° |
| N4 | C4 | N3 | C2 | 179.7° | 179.9° |
| C4 | N4 | HN41 | HN42 | 125.3° | 179.7° |
| F1 | C2' | F2 | C3' | 123.2° | 122.7° |
| F1 | C2' | C3' | O3' | 145.5° | 122.6° |
| F1 | C2' | C3' | H3' | 27.9° | 0.0° |
| F2 | C2' | C3' | O3' | 25.9° | 0.1° |
| F2 | C2' | C3' | H3' | 91.7° | 122.7° |
| C2' | C3' | O3' | H3' | 123.9° | 122.7° |
| C2' | C3' | O3' | H1 | 65.2° | 65.2° |
| H3' | C3' | O3' | H1 | 58.8° | 57.4° |
